HETATM 1 C ORT A 1 49.859 41.407 -8.032 1.00 24.23 C HETATM 2 O ORT A 1 50.506 41.625 -9.051 1.00 24.93 O HETATM 3 NA ORT A 1 49.309 43.854 -8.028 1.00 29.00 N HETATM 4 CB ORT A 1 47.411 42.180 -7.856 1.00 24.96 C HETATM 5 CG ORT A 1 46.382 42.994 -6.976 1.00 24.56 C HETATM 6 CD ORT A 1 46.304 42.507 -5.510 1.00 24.91 C HETATM 7 NE ORT A 1 45.840 41.132 -5.442 1.00 24.10 N HETATM 8 CQ ORT A 1 48.886 42.486 -7.478 1.00 26.15 C HETATM 9 H ORT A 1 44.838 41.001 -5.566 1.00 28.92 H HETATM 10 HN1 ORT A 1 50.320 44.008 -7.995 1.00 34.80 H HETATM 11 HN2 ORT A 1 49.046 43.994 -9.007 1.00 34.80 H HETATM 12 HN3 ORT A 1 48.896 44.640 -7.521 1.00 34.80 H HETATM 13 HA ORT A 1 49.039 42.542 -6.396 1.00 31.38 H HETATM 14 HB2 ORT A 1 47.234 42.409 -8.916 1.00 29.96 H HETATM 15 HB3 ORT A 1 47.229 41.114 -7.659 1.00 29.96 H HETATM 16 HG2 ORT A 1 46.671 44.051 -6.984 1.00 29.47 H HETATM 17 HG3 ORT A 1 45.387 42.900 -7.425 1.00 29.47 H HETATM 18 HD2 ORT A 1 47.299 42.571 -5.061 1.00 29.90 H HETATM 19 HD3 ORT A 1 45.593 43.139 -4.969 1.00 29.90 H HETATM 20 N CIR A 2 49.976 40.234 -7.315 1.00 22.24 N HETATM 21 C CIR A 2 50.241 37.810 -7.903 1.00 13.74 C HETATM 22 O CIR A 2 49.218 37.600 -7.279 1.00 16.02 O HETATM 23 C2 CIR A 2 50.949 39.158 -7.730 1.00 19.37 C HETATM 24 C3 CIR A 2 51.983 38.835 -6.648 1.00 22.03 C HETATM 25 C4 CIR A 2 52.872 40.059 -6.440 1.00 23.96 C HETATM 26 C5 CIR A 2 53.879 39.800 -5.325 1.00 26.14 C HETATM 27 N6 CIR A 2 54.805 40.972 -5.336 1.00 28.71 N HETATM 28 C7 CIR A 2 54.695 42.010 -4.309 1.00 32.57 C HETATM 29 O7 CIR A 2 53.882 41.951 -3.412 1.00 35.86 O HETATM 30 N8 CIR A 2 55.603 43.146 -4.382 1.00 31.79 N HETATM 31 H CIR A 2 49.445 40.074 -6.483 1.00 26.69 H HETATM 32 HN6 CIR A 2 55.483 41.064 -6.065 1.00 34.46 H HETATM 33 HN81 CIR A 2 55.562 43.864 -3.688 1.00 38.14 H HETATM 34 HN82 CIR A 2 56.282 43.197 -5.115 1.00 38.14 H HETATM 35 H2 CIR A 2 51.336 39.303 -8.749 1.00 23.25 H HETATM 36 H31 CIR A 2 51.469 38.588 -5.707 1.00 26.44 H HETATM 37 H32 CIR A 2 52.599 37.981 -6.968 1.00 26.44 H HETATM 38 H41 CIR A 2 52.246 40.922 -6.170 1.00 28.76 H HETATM 39 H42 CIR A 2 53.412 40.279 -7.373 1.00 28.76 H HETATM 40 H51 CIR A 2 53.363 39.731 -4.356 1.00 31.37 H HETATM 41 H52 CIR A 2 54.437 38.873 -5.526 1.00 31.37 H ATOM 42 N LEU A 3 50.642 37.010 -8.881 1.00 26.50 N ANISOU 42 N LEU A 3 3857 3028 3184 -333 -1229 653 N ATOM 43 CA LEU A 3 50.143 35.638 -9.016 1.00 24.52 C ANISOU 43 CA LEU A 3 3681 2773 2864 -327 -1165 549 C ATOM 44 C LEU A 3 50.450 34.850 -7.763 1.00 22.01 C ANISOU 44 C LEU A 3 3411 2408 2544 -277 -963 474 C ATOM 45 O LEU A 3 51.516 34.978 -7.191 1.00 22.26 O ANISOU 45 O LEU A 3 3469 2497 2490 -249 -898 562 O ATOM 46 CB LEU A 3 50.752 34.970 -10.239 1.00 25.94 C ANISOU 46 CB LEU A 3 3981 3074 2802 -308 -1164 596 C ATOM 47 CG LEU A 3 50.307 35.610 -11.548 1.00 26.83 C ANISOU 47 CG LEU A 3 4028 3246 2921 -346 -1289 622 C ATOM 48 CD1 LEU A 3 51.045 34.978 -12.691 1.00 28.83 C ANISOU 48 CD1 LEU A 3 4427 3619 2910 -264 -1205 648 C ATOM 49 CD2 LEU A 3 48.787 35.551 -11.754 1.00 26.79 C ANISOU 49 CD2 LEU A 3 3970 3151 3056 -462 -1486 557 C ATOM 50 H LEU A 3 51.209 37.236 -9.488 1.00 31.80 H ATOM 51 HA LEU A 3 49.180 35.659 -9.132 1.00 29.43 H ATOM 52 HB2 LEU A 3 51.719 35.037 -10.187 1.00 31.13 H ATOM 53 HB3 LEU A 3 50.485 34.038 -10.255 1.00 31.13 H ATOM 54 HG LEU A 3 50.557 36.547 -11.527 1.00 32.19 H ATOM 55 HD11 LEU A 3 50.756 35.391 -13.520 1.00 34.60 H ATOM 56 HD12 LEU A 3 51.997 35.117 -12.567 1.00 34.60 H ATOM 57 HD13 LEU A 3 50.849 34.029 -12.708 1.00 34.60 H ATOM 58 HD21 LEU A 3 48.567 35.972 -12.600 1.00 32.14 H ATOM 59 HD22 LEU A 3 48.505 34.623 -11.763 1.00 32.14 H ATOM 60 HD23 LEU A 3 48.351 36.023 -11.027 1.00 32.14 H ATOM 61 N ALA A 4 49.519 34.007 -7.338 1.00 18.68 N ANISOU 61 N ALA A 4 2978 1895 2225 -280 -878 349 N ATOM 62 CA ALA A 4 49.644 33.345 -6.045 1.00 17.36 C ANISOU 62 CA ALA A 4 2827 1681 2088 -217 -678 295 C ATOM 63 C ALA A 4 48.992 31.977 -6.117 1.00 18.30 C ANISOU 63 C ALA A 4 2971 1735 2247 -240 -584 204 C ATOM 64 O ALA A 4 47.941 31.807 -6.749 1.00 19.26 O ANISOU 64 O ALA A 4 3041 1798 2480 -332 -712 174 O ATOM 65 CB ALA A 4 48.986 34.181 -4.943 1.00 18.11 C ANISOU 65 CB ALA A 4 2855 1676 2348 -165 -655 276 C ATOM 66 H ALA A 4 48.808 33.801 -7.775 1.00 22.42 H ATOM 67 HA ALA A 4 50.583 33.230 -5.828 1.00 20.83 H ATOM 68 HB1 ALA A 4 49.083 33.719 -4.096 1.00 21.73 H ATOM 69 HB2 ALA A 4 49.423 35.046 -4.900 1.00 21.73 H ATOM 70 HB3 ALA A 4 48.046 34.295 -5.152 1.00 21.73 H ATOM 71 N ASN A 5 49.599 31.018 -5.414 1.00 18.86 N ANISOU 71 N ASN A 5 3111 1810 2245 -175 -378 190 N ATOM 72 CA ASN A 5 49.175 29.625 -5.391 1.00 20.75 C ANISOU 72 CA ASN A 5 3415 1954 2516 -194 -265 116 C ATOM 73 C ASN A 5 49.408 29.101 -3.976 1.00 19.17 C ANISOU 73 C ASN A 5 3164 1751 2370 -96 -30 136 C ATOM 74 O ASN A 5 50.410 29.443 -3.324 1.00 19.05 O ANISOU 74 O ASN A 5 3156 1842 2241 -16 58 213 O ATOM 75 CB ASN A 5 49.942 28.790 -6.435 1.00 23.37 C ANISOU 75 CB ASN A 5 3979 2289 2613 -180 -226 99 C ATOM 76 CG ASN A 5 49.168 27.595 -6.927 1.00 30.39 C ANISOU 76 CG ASN A 5 5017 2999 3529 -280 -253 -19 C ATOM 77 ND2 ASN A 5 49.850 26.713 -7.647 1.00 34.01 N ANISOU 77 ND2 ASN A 5 5769 3401 3751 -220 -153 -59 N ATOM 78 OD1 ASN A 5 47.965 27.461 -6.685 1.00 34.12 O ANISOU 78 OD1 ASN A 5 5360 3373 4230 -410 -366 -50 O ATOM 79 H ASN A 5 50.289 31.163 -4.922 1.00 22.63 H ATOM 80 HA ASN A 5 48.227 29.570 -5.588 1.00 24.90 H ATOM 81 HB2 ASN A 5 50.142 29.351 -7.201 1.00 28.05 H ATOM 82 HB3 ASN A 5 50.766 28.469 -6.037 1.00 28.05 H ATOM 83 HD21 ASN A 5 49.457 26.012 -7.953 1.00 40.81 H ATOM 84 HD22 ASN A 5 50.684 26.842 -7.808 1.00 40.81 H ATOM 85 N PHE A 6 48.471 28.324 -3.489 1.00 18.80 N ANISOU 85 N PHE A 6 3048 1594 2502 -118 45 102 N ATOM 86 CA PHE A 6 48.507 27.844 -2.117 1.00 18.31 C ANISOU 86 CA PHE A 6 2913 1535 2508 -10 274 140 C ATOM 87 C PHE A 6 48.189 26.368 -2.089 1.00 19.79 C ANISOU 87 C PHE A 6 3137 1602 2780 -42 399 125 C ATOM 88 O PHE A 6 47.379 25.878 -2.887 1.00 20.59 O ANISOU 88 O PHE A 6 3265 1571 2987 -188 256 80 O ATOM 89 CB PHE A 6 47.490 28.571 -1.239 1.00 19.30 C ANISOU 89 CB PHE A 6 2870 1640 2824 49 285 175 C ATOM 90 CG PHE A 6 47.669 30.036 -1.241 1.00 20.19 C ANISOU 90 CG PHE A 6 3002 1799 2870 84 164 174 C ATOM 91 CD1 PHE A 6 47.030 30.817 -2.175 1.00 22.39 C ANISOU 91 CD1 PHE A 6 3224 2048 3235 8 -39 179 C ATOM 92 CD2 PHE A 6 48.547 30.637 -0.358 1.00 20.78 C ANISOU 92 CD2 PHE A 6 3176 1939 2782 168 223 183 C ATOM 93 CE1 PHE A 6 47.215 32.197 -2.207 1.00 23.07 C ANISOU 93 CE1 PHE A 6 3348 2143 3274 44 -146 189 C ATOM 94 CE2 PHE A 6 48.728 32.012 -0.390 1.00 22.26 C ANISOU 94 CE2 PHE A 6 3436 2114 2909 168 76 175 C ATOM 95 CZ PHE A 6 48.073 32.790 -1.326 1.00 22.05 C ANISOU 95 CZ PHE A 6 3352 2034 2991 118 -93 176 C ATOM 96 H PHE A 6 47.788 28.052 -3.936 1.00 22.56 H ATOM 97 HA PHE A 6 49.393 27.979 -1.745 1.00 21.97 H ATOM 98 HB2 PHE A 6 46.597 28.379 -1.566 1.00 23.16 H ATOM 99 HB3 PHE A 6 47.582 28.260 -0.325 1.00 23.16 H ATOM 100 HD1 PHE A 6 46.448 30.419 -2.783 1.00 26.87 H ATOM 101 HD2 PHE A 6 48.997 30.123 0.273 1.00 24.94 H ATOM 102 HE1 PHE A 6 46.766 32.712 -2.838 1.00 27.68 H ATOM 103 HE2 PHE A 6 49.310 32.413 0.214 1.00 26.72 H ATOM 104 HZ PHE A 6 48.196 33.712 -1.338 1.00 26.46 H ATOM 105 N LEU A 7 48.820 25.666 -1.144 1.00 18.74 N ANISOU 105 N LEU A 7 3013 1503 2602 76 645 179 N ATOM 106 CA LEU A 7 48.513 24.271 -0.883 1.00 21.46 C ANISOU 106 CA LEU A 7 3379 1713 3062 68 803 191 C ATOM 107 C LEU A 7 48.330 24.174 0.625 1.00 22.11 C ANISOU 107 C LEU A 7 3284 1867 3251 199 1014 294 C ATOM 108 O LEU A 7 49.214 24.597 1.380 1.00 22.37 O ANISOU 108 O LEU A 7 3321 2058 3121 320 1120 350 O ATOM 109 CB LEU A 7 49.619 23.348 -1.407 1.00 22.60 C ANISOU 109 CB LEU A 7 3759 1821 3007 125 945 187 C ATOM 110 CG LEU A 7 49.336 21.855 -1.296 1.00 26.84 C ANISOU 110 CG LEU A 7 4399 2147 3653 110 1103 181 C ATOM 111 CD1 LEU A 7 50.055 21.100 -2.365 1.00 30.42 C ANISOU 111 CD1 LEU A 7 5199 2464 3895 139 1159 116 C ATOM 112 CD2 LEU A 7 49.795 21.371 0.065 1.00 27.15 C ANISOU 112 CD2 LEU A 7 4296 2284 3736 275 1397 326 C ATOM 113 H LEU A 7 49.438 25.986 -0.639 1.00 22.48 H ATOM 114 HA LEU A 7 47.677 24.033 -1.315 1.00 25.75 H ATOM 115 HB2 LEU A 7 49.766 23.547 -2.344 1.00 27.12 H ATOM 116 HB3 LEU A 7 50.430 23.528 -0.907 1.00 27.12 H ATOM 117 HG LEU A 7 48.384 21.691 -1.383 1.00 32.21 H ATOM 118 HD11 LEU A 7 49.858 20.155 -2.271 1.00 36.50 H ATOM 119 HD12 LEU A 7 49.755 21.416 -3.231 1.00 36.50 H ATOM 120 HD13 LEU A 7 51.009 21.250 -2.270 1.00 36.50 H ATOM 121 HD21 LEU A 7 49.616 20.420 0.139 1.00 32.58 H ATOM 122 HD22 LEU A 7 50.746 21.537 0.155 1.00 32.58 H ATOM 123 HD23 LEU A 7 49.308 21.854 0.752 1.00 32.58 H ATOM 124 N VAL A 8 47.147 23.751 1.064 1.00 22.13 N ANISOU 124 N VAL A 8 3120 1770 3517 169 1044 350 N ATOM 125 CA VAL A 8 46.925 23.451 2.481 1.00 21.95 C ANISOU 125 CA VAL A 8 2942 1809 3589 327 1292 476 C ATOM 126 C VAL A 8 46.291 22.056 2.619 1.00 24.39 C ANISOU 126 C VAL A 8 3169 1955 4143 263 1400 566 C ATOM 127 O VAL A 8 45.106 21.882 2.410 1.00 24.33 O ANISOU 127 O VAL A 8 3002 1837 4405 145 1291 641 O ATOM 128 CB VAL A 8 46.043 24.525 3.155 1.00 23.13 C ANISOU 128 CB VAL A 8 2929 2024 3833 432 1286 537 C ATOM 129 CG1 VAL A 8 45.792 24.193 4.654 1.00 23.66 C ANISOU 129 CG1 VAL A 8 2875 2163 3953 643 1578 681 C ATOM 130 CG2 VAL A 8 46.643 25.922 2.998 1.00 22.49 C ANISOU 130 CG2 VAL A 8 2981 2041 3522 470 1153 438 C ATOM 131 H VAL A 8 46.457 23.630 0.565 1.00 26.55 H ATOM 132 HA VAL A 8 47.780 23.438 2.938 1.00 26.34 H ATOM 133 HB VAL A 8 45.180 24.531 2.712 1.00 27.75 H ATOM 134 HG11 VAL A 8 45.237 24.888 5.042 1.00 28.40 H ATOM 135 HG12 VAL A 8 45.343 23.336 4.716 1.00 28.40 H ATOM 136 HG13 VAL A 8 46.645 24.154 5.115 1.00 28.40 H ATOM 137 HG21 VAL A 8 46.062 26.566 3.433 1.00 26.98 H ATOM 138 HG22 VAL A 8 47.521 25.937 3.411 1.00 26.98 H ATOM 139 HG23 VAL A 8 46.718 26.130 2.054 1.00 26.98 H TER 140 VAL A 8 HETATM 141 C ORT A 9 43.695 19.907 -0.177 1.00 36.45 C ANISOU 141 C ORT A 9 4797 2776 6277 -553 700 549 C HETATM 142 O ORT A 9 43.103 19.357 -1.099 1.00 40.87 O ANISOU 142 O ORT A 9 5481 3117 6930 -840 419 516 O HETATM 143 NA ORT A 9 44.157 17.694 0.662 1.00 40.95 N ANISOU 143 NA ORT A 9 5509 3155 6897 -491 1008 598 N HETATM 144 CB ORT A 9 45.959 19.408 0.709 1.00 33.77 C ANISOU 144 CB ORT A 9 4744 2572 5513 -149 1222 447 C HETATM 145 CG ORT A 9 46.806 18.860 1.872 1.00 32.97 C ANISOU 145 CG ORT A 9 4582 2625 5321 97 1564 536 C HETATM 146 CD ORT A 9 46.634 19.661 3.169 1.00 30.89 C ANISOU 146 CD ORT A 9 4040 2592 5106 281 1719 677 C HETATM 147 NE ORT A 9 47.123 21.032 3.003 1.00 26.75 N ANISOU 147 NE ORT A 9 3563 2237 4363 338 1618 600 N HETATM 148 CQ ORT A 9 44.444 19.119 0.859 1.00 37.17 C ANISOU 148 CQ ORT A 9 4911 2886 6327 -340 1065 597 C HETATM 149 H ORT A 9 48.115 21.172 3.182 1.00 32.10 H HETATM 150 HN1 ORT A 9 43.164 17.498 0.514 1.00 49.15 H HETATM 151 HN2 ORT A 9 44.636 17.293 -0.148 1.00 49.15 H HETATM 152 HN3 ORT A 9 44.434 17.112 1.456 1.00 49.15 H HETATM 153 HA ORT A 9 44.048 19.383 1.844 1.00 44.61 H HETATM 154 HB2 ORT A 9 46.332 18.978 -0.231 1.00 40.52 H HETATM 155 HB3 ORT A 9 46.089 20.499 0.705 1.00 40.52 H HETATM 156 HG2 ORT A 9 47.863 18.892 1.582 1.00 39.57 H HETATM 157 HG3 ORT A 9 46.524 17.817 2.056 1.00 39.57 H HETATM 158 HD2 ORT A 9 47.218 19.178 3.959 1.00 37.07 H HETATM 159 HD3 ORT A 9 45.573 19.688 3.432 1.00 37.07 H ATOM 160 N ILE A 10 43.684 21.262 0.004 1.00 29.72 N ANISOU 160 N ILE A 10 3789 2155 5347 -417 685 562 N ATOM 161 CA ILE A 10 43.023 22.132 -0.965 1.00 30.62 C ANISOU 161 CA ILE A 10 3853 2290 5493 -582 360 547 C ATOM 162 C ILE A 10 44.162 22.889 -1.638 1.00 27.88 C ANISOU 162 C ILE A 10 3774 2042 4779 -500 323 340 C ATOM 163 O ILE A 10 45.107 23.304 -0.971 1.00 25.50 O ANISOU 163 O ILE A 10 3511 1884 4295 -277 542 308 O ATOM 164 CB ILE A 10 41.994 23.090 -0.338 1.00 33.63 C ANISOU 164 CB ILE A 10 3846 2816 6114 -481 377 772 C ATOM 165 CG1 ILE A 10 42.710 24.199 0.438 1.00 34.10 C ANISOU 165 CG1 ILE A 10 3929 3067 5960 -173 599 713 C ATOM 166 CG2 ILE A 10 41.007 22.282 0.524 1.00 37.63 C ANISOU 166 CG2 ILE A 10 4044 3266 6986 -490 504 1053 C ATOM 167 CD1 ILE A 10 41.832 25.138 1.167 1.00 37.54 C ANISOU 167 CD1 ILE A 10 4094 3606 6564 14 703 907 C ATOM 168 H ILE A 10 44.100 21.677 0.631 1.00 35.66 H ATOM 169 HA ILE A 10 42.574 21.592 -1.634 1.00 36.75 H ATOM 170 HB ILE A 10 41.492 23.505 -1.058 1.00 40.35 H ATOM 171 HG12 ILE A 10 43.298 23.787 1.090 1.00 40.92 H ATOM 172 HG13 ILE A 10 43.236 24.721 -0.188 1.00 40.92 H ATOM 173 HG21 ILE A 10 40.361 22.889 0.917 1.00 45.15 H ATOM 174 HG22 ILE A 10 40.554 21.634 -0.039 1.00 45.15 H ATOM 175 HG23 ILE A 10 41.501 21.825 1.223 1.00 45.15 H ATOM 176 HD11 ILE A 10 42.381 25.796 1.621 1.00 45.05 H ATOM 177 HD12 ILE A 10 41.245 25.579 0.533 1.00 45.05 H ATOM 178 HD13 ILE A 10 41.307 24.642 1.814 1.00 45.05 H ATOM 179 N LYS A 11 44.083 23.043 -2.950 1.00 29.24 N ANISOU 179 N LYS A 11 4127 2143 4840 -693 31 231 N ATOM 180 CA LYS A 11 45.144 23.722 -3.677 1.00 29.81 C ANISOU 180 CA LYS A 11 4434 2316 4578 -610 0 85 C ATOM 181 C LYS A 11 44.525 24.731 -4.620 1.00 28.53 C ANISOU 181 C LYS A 11 4197 2214 4428 -746 -313 94 C ATOM 182 O LYS A 11 43.497 24.476 -5.227 1.00 31.47 O ANISOU 182 O LYS A 11 4508 2485 4962 -987 -580 149 O ATOM 183 CB LYS A 11 45.987 22.705 -4.464 1.00 35.78 C ANISOU 183 CB LYS A 11 5604 2913 5077 -637 36 -65 C ATOM 184 CG LYS A 11 47.245 23.287 -5.093 1.00 39.74 C ANISOU 184 CG LYS A 11 6317 3548 5233 -482 95 -138 C ATOM 185 CD LYS A 11 47.937 22.281 -6.008 1.00 45.10 C ANISOU 185 CD LYS A 11 7446 4048 5641 -464 155 -258 C ATOM 186 CE LYS A 11 47.095 21.992 -7.256 1.00 49.94 C ANISOU 186 CE LYS A 11 8311 4459 6203 -734 -196 -385 C ATOM 187 NZ LYS A 11 47.709 21.015 -8.189 1.00 52.95 N1+ ANISOU 187 NZ LYS A 11 9171 4679 6268 -675 -130 -516 N1+ ATOM 188 H LYS A 11 43.432 22.767 -3.440 1.00 35.09 H ATOM 189 HA LYS A 11 45.722 24.191 -3.054 1.00 35.78 H ATOM 190 HB2 LYS A 11 46.260 21.995 -3.862 1.00 42.93 H ATOM 191 HB3 LYS A 11 45.443 22.337 -5.178 1.00 42.93 H ATOM 192 HG2 LYS A 11 47.007 24.064 -5.622 1.00 47.68 H ATOM 193 HG3 LYS A 11 47.867 23.536 -4.392 1.00 47.68 H ATOM 194 HD2 LYS A 11 48.791 22.642 -6.294 1.00 54.12 H ATOM 195 HD3 LYS A 11 48.067 21.448 -5.529 1.00 54.12 H ATOM 196 HE2 LYS A 11 46.237 21.635 -6.977 1.00 59.92 H ATOM 197 HE3 LYS A 11 46.962 22.822 -7.741 1.00 59.92 H ATOM 198 HZ1 LYS A 11 47.177 20.889 -8.890 1.00 63.54 H ATOM 199 HZ2 LYS A 11 48.495 21.320 -8.473 1.00 63.54 H ATOM 200 HZ3 LYS A 11 47.833 20.237 -7.775 1.00 63.54 H TER 201 LYS A 11 HETATM 202 N HAO A 12 45.157 25.932 -4.770 1.00 23.73 N ANISOU 202 N HAO A 12 3582 1778 3657 -612 -309 72 N HETATM 203 C HAO A 12 45.797 34.586 -8.639 1.00 21.57 C ANISOU 203 C HAO A 12 2959 2133 3103 -483 -1270 411 C HETATM 204 O HAO A 12 46.974 34.436 -8.461 1.00 21.40 O ANISOU 204 O HAO A 12 3093 2148 2890 -427 -1172 357 O HETATM 205 CM HAO A 12 41.362 27.253 -7.819 1.00 30.59 C ANISOU 205 CM HAO A 12 3968 2642 5014 -1395 -1495 438 C HETATM 206 OM HAO A 12 42.691 27.432 -7.346 1.00 27.54 O ANISOU 206 OM HAO A 12 3784 2298 4380 -1128 -1192 263 O HETATM 207 C01 HAO A 12 44.879 33.398 -8.682 1.00 22.74 C ANISOU 207 C01 HAO A 12 3063 2227 3352 -602 -1300 386 C HETATM 208 N01 HAO A 12 45.418 32.201 -8.220 1.00 22.07 N ANISOU 208 N01 HAO A 12 3139 2090 3156 -595 -1144 265 N HETATM 209 O01 HAO A 12 43.732 33.501 -9.049 1.00 25.15 O ANISOU 209 O01 HAO A 12 3183 2527 3846 -704 -1455 503 O HETATM 210 C02 HAO A 12 44.698 31.013 -8.084 1.00 22.77 C ANISOU 210 C02 HAO A 12 3219 2082 3349 -712 -1150 239 C HETATM 211 N02 HAO A 12 44.639 26.827 -5.669 1.00 23.53 N ANISOU 211 N02 HAO A 12 3492 1806 3642 -722 -579 99 N HETATM 212 C03 HAO A 12 43.558 30.728 -8.785 1.00 25.01 C ANISOU 212 C03 HAO A 12 3398 2332 3772 -919 -1400 319 C HETATM 213 C04 HAO A 12 42.902 29.550 -8.550 1.00 26.62 C ANISOU 213 C04 HAO A 12 3593 2416 4106 -1065 -1426 321 C HETATM 214 C05 HAO A 12 43.378 28.637 -7.597 1.00 25.62 C ANISOU 214 C05 HAO A 12 3560 2202 3973 -969 -1162 235 C HETATM 215 C06 HAO A 12 44.536 28.966 -6.884 1.00 23.03 C ANISOU 215 C06 HAO A 12 3322 1938 3489 -732 -890 159 C HETATM 216 O06 HAO A 12 46.076 28.461 -5.103 1.00 20.27 O ANISOU 216 O06 HAO A 12 3079 1619 3001 -427 -397 92 O HETATM 217 C07 HAO A 12 45.174 30.152 -7.125 1.00 21.71 C ANISOU 217 C07 HAO A 12 3162 1889 3196 -624 -905 168 C HETATM 218 C08 HAO A 12 45.160 28.081 -5.825 1.00 21.95 C ANISOU 218 C08 HAO A 12 3263 1751 3325 -606 -595 105 C HETATM 219 H HAO A 12 45.939 26.229 -4.400 1.00 28.48 H HETATM 220 HN1 HAO A 12 46.277 32.214 -7.916 1.00 26.48 H HETATM 221 HN2 HAO A 12 43.967 26.556 -6.224 1.00 28.24 H HETATM 222 HM1 HAO A 12 40.873 26.663 -7.205 1.00 36.71 H HETATM 223 HM2 HAO A 12 41.385 26.849 -8.712 1.00 36.71 H HETATM 224 HM3 HAO A 12 40.911 28.124 -7.865 1.00 36.71 H HETATM 225 H03 HAO A 12 43.219 31.356 -9.450 1.00 30.01 H HETATM 226 H04 HAO A 12 42.094 29.340 -9.056 1.00 31.95 H HETATM 227 H07 HAO A 12 45.986 30.377 -6.630 1.00 26.05 H ATOM 228 N LYS A 13 45.202 35.797 -8.767 1.00 23.84 N ANISOU 228 N LYS A 13 3090 2417 3552 -446 -1358 537 N ATOM 229 CA LYS A 13 45.959 37.024 -8.706 1.00 24.58 C ANISOU 229 CA LYS A 13 3236 2511 3594 -361 -1364 578 C ATOM 230 C LYS A 13 45.458 37.764 -7.507 1.00 27.01 C ANISOU 230 C LYS A 13 3502 2678 4085 -209 -1212 600 C ATOM 231 O LYS A 13 44.308 38.201 -7.491 1.00 26.31 O ANISOU 231 O LYS A 13 3240 2541 4215 -150 -1208 720 O ATOM 232 CB LYS A 13 45.763 37.864 -9.965 1.00 25.51 C ANISOU 232 CB LYS A 13 3268 2710 3716 -423 -1584 712 C ATOM 233 CG LYS A 13 46.627 39.051 -10.022 1.00 26.44 C ANISOU 233 CG LYS A 13 3441 2817 3787 -369 -1617 781 C ATOM 234 CD LYS A 13 46.618 39.656 -11.410 1.00 29.17 C ANISOU 234 CD LYS A 13 3721 3278 4083 -429 -1672 855 C ATOM 235 CE LYS A 13 47.730 40.698 -11.531 1.00 29.73 C ANISOU 235 CE LYS A 13 3843 3358 4097 -406 -1610 889 C ATOM 236 NZ LYS A 13 47.676 41.396 -12.821 1.00 30.34 N1+ ANISOU 236 NZ LYS A 13 3836 3537 4155 -430 -1645 982 N1+ ATOM 237 H LYS A 13 44.357 35.913 -8.876 1.00 28.61 H ATOM 238 HA LYS A 13 46.903 36.831 -8.593 1.00 29.50 H ATOM 239 HB2 LYS A 13 45.959 37.316 -10.741 1.00 30.61 H ATOM 240 HB3 LYS A 13 44.841 38.165 -10.000 1.00 30.61 H ATOM 241 HG2 LYS A 13 46.303 39.717 -9.395 1.00 31.73 H ATOM 242 HG3 LYS A 13 47.538 38.798 -9.805 1.00 31.73 H ATOM 243 HD2 LYS A 13 46.772 38.962 -12.069 1.00 35.00 H ATOM 244 HD3 LYS A 13 45.766 40.094 -11.568 1.00 35.00 H ATOM 245 HE2 LYS A 13 47.630 41.355 -10.825 1.00 35.68 H ATOM 246 HE3 LYS A 13 48.590 40.256 -11.460 1.00 35.68 H ATOM 247 HZ1 LYS A 13 48.331 41.996 -12.869 1.00 36.41 H ATOM 248 HZ2 LYS A 13 47.768 40.812 -13.487 1.00 36.41 H ATOM 249 HZ3 LYS A 13 46.894 41.813 -12.909 1.00 36.41 H TER 250 LYS A 13 HETATM 251 N A8E A 14 46.329 37.945 -6.524 1.00 14.34 N HETATM 252 CA A8E A 14 46.007 38.656 -5.265 1.00 20.66 C HETATM 253 C A8E A 14 46.700 40.082 -5.270 1.00 21.43 C HETATM 254 O A8E A 14 47.870 40.197 -5.143 1.00 21.62 O HETATM 255 CB A8E A 14 46.353 37.896 -4.005 1.00 29.37 C HETATM 256 CG A8E A 14 45.547 36.606 -3.901 1.00 41.44 C HETATM 257 CD1 A8E A 14 44.691 36.082 -4.737 1.00 44.32 C HETATM 258 BR A8E A 14 46.059 35.604 -2.360 1.00 51.28 Br HETATM 259 H A8E A 14 47.254 37.572 -6.597 1.00 17.21 H HETATM 260 HA A8E A 14 44.924 38.844 -5.303 1.00 24.79 H HETATM 261 HB A8E A 14 46.135 38.529 -3.132 1.00 35.24 H HETATM 262 HBA A8E A 14 47.426 37.652 -4.015 1.00 35.24 H HETATM 263 HD1 A8E A 14 44.130 35.173 -4.474 1.00 53.18 H HETATM 264 HD1A A8E A 14 44.296 36.668 -5.580 1.00 53.18 H TER 265 A8E A 14 HETATM 266 C ORT B 1 49.193 19.136 9.957 1.00 33.29 C HETATM 267 O ORT B 1 49.546 17.984 9.691 1.00 38.96 O HETATM 268 NA ORT B 1 48.585 18.412 12.269 1.00 38.37 N HETATM 269 CB ORT B 1 50.046 20.424 11.947 1.00 30.77 C HETATM 270 CG ORT B 1 49.723 21.260 13.219 1.00 28.32 C HETATM 271 CD ORT B 1 49.039 22.608 12.975 1.00 26.32 C HETATM 272 NE ORT B 1 49.748 23.382 11.955 1.00 25.83 N HETATM 273 CQ ORT B 1 48.868 19.597 11.399 1.00 34.15 C HETATM 274 H ORT B 1 50.565 23.911 12.255 1.00 30.99 H HETATM 275 HN1 ORT B 1 47.971 17.723 11.827 1.00 46.04 H HETATM 276 HN2 ORT B 1 49.427 17.894 12.534 1.00 46.04 H HETATM 277 HN3 ORT B 1 48.129 18.657 13.152 1.00 46.04 H HETATM 278 HA ORT B 1 47.936 20.168 11.361 1.00 40.98 H HETATM 279 HB2 ORT B 1 50.893 19.761 12.171 1.00 36.92 H HETATM 280 HB3 ORT B 1 50.329 21.143 11.165 1.00 36.92 H HETATM 281 HG2 ORT B 1 49.077 20.657 13.866 1.00 33.99 H HETATM 282 HG3 ORT B 1 50.662 21.449 13.753 1.00 33.99 H HETATM 283 HD2 ORT B 1 48.014 22.428 12.637 1.00 31.59 H HETATM 284 HD3 ORT B 1 49.046 23.177 13.910 1.00 31.59 H HETATM 285 N CIR B 2 49.056 20.094 8.997 1.00 26.72 N HETATM 286 C CIR B 2 49.929 20.349 6.847 1.00 17.34 C HETATM 287 O CIR B 2 50.267 21.423 7.273 1.00 19.44 O HETATM 288 C2 CIR B 2 48.938 19.532 7.626 1.00 23.82 C HETATM 289 C3 CIR B 2 47.605 19.724 6.936 1.00 28.88 C HETATM 290 C4 CIR B 2 47.030 21.150 7.055 1.00 33.41 C HETATM 291 C5 CIR B 2 45.621 21.167 7.686 1.00 36.12 C HETATM 292 N6 CIR B 2 44.880 20.051 7.055 1.00 37.34 N HETATM 293 C7 CIR B 2 43.840 19.239 7.674 1.00 37.14 C HETATM 294 O7 CIR B 2 43.358 19.390 8.771 1.00 36.18 O HETATM 295 N8 CIR B 2 43.370 18.184 6.813 1.00 37.80 N HETATM 296 H CIR B 2 48.772 21.036 9.178 1.00 32.06 H HETATM 297 HN6 CIR B 2 45.177 19.777 6.140 1.00 44.81 H HETATM 298 HN81 CIR B 2 42.632 17.582 7.118 1.00 45.36 H HETATM 299 HN82 CIR B 2 43.758 18.076 5.898 1.00 45.36 H HETATM 300 H2 CIR B 2 49.393 18.535 7.533 1.00 28.59 H HETATM 301 H31 CIR B 2 47.727 19.485 5.869 1.00 34.65 H HETATM 302 H32 CIR B 2 46.882 19.019 7.372 1.00 34.65 H HETATM 303 H41 CIR B 2 46.975 21.596 6.051 1.00 40.09 H HETATM 304 H42 CIR B 2 47.705 21.756 7.677 1.00 40.09 H HETATM 305 H51 CIR B 2 45.690 21.010 8.773 1.00 43.34 H HETATM 306 H52 CIR B 2 45.121 22.123 7.472 1.00 43.34 H ATOM 307 N LEU B 3 50.384 19.857 5.706 1.00 27.71 N ANISOU 307 N LEU B 3 3751 4107 2670 404 357 1111 N ATOM 308 CA LEU B 3 51.427 20.536 4.974 1.00 22.56 C ANISOU 308 CA LEU B 3 3087 3360 2125 511 388 1053 C ATOM 309 C LEU B 3 50.912 21.851 4.417 1.00 20.16 C ANISOU 309 C LEU B 3 2768 3019 1873 447 374 770 C ATOM 310 O LEU B 3 49.778 21.945 3.932 1.00 18.65 O ANISOU 310 O LEU B 3 2660 2730 1696 372 394 699 O ATOM 311 CB LEU B 3 51.931 19.665 3.822 1.00 22.99 C ANISOU 311 CB LEU B 3 3315 3051 2370 598 477 1112 C ATOM 312 CG LEU B 3 53.015 20.338 2.989 1.00 23.73 C ANISOU 312 CG LEU B 3 3379 3061 2575 717 523 1076 C ATOM 313 CD1 LEU B 3 54.314 20.255 3.702 1.00 26.56 C ANISOU 313 CD1 LEU B 3 3531 3619 2941 821 499 1250 C ATOM 314 CD2 LEU B 3 53.083 19.674 1.672 1.00 23.85 C ANISOU 314 CD2 LEU B 3 3578 2759 2726 729 622 992 C ATOM 315 H LEU B 3 50.104 19.132 5.338 1.00 33.25 H ATOM 316 HA LEU B 3 52.171 20.723 5.568 1.00 27.07 H ATOM 317 HB2 LEU B 3 52.300 18.845 4.186 1.00 27.59 H ATOM 318 HB3 LEU B 3 51.187 19.461 3.234 1.00 27.59 H ATOM 319 HG LEU B 3 52.792 21.273 2.856 1.00 28.47 H ATOM 320 HD11 LEU B 3 54.997 20.686 3.165 1.00 31.87 H ATOM 321 HD12 LEU B 3 54.233 20.706 4.558 1.00 31.87 H ATOM 322 HD13 LEU B 3 54.540 19.322 3.839 1.00 31.87 H ATOM 323 HD21 LEU B 3 53.772 20.100 1.139 1.00 28.63 H ATOM 324 HD22 LEU B 3 53.296 18.737 1.802 1.00 28.63 H ATOM 325 HD23 LEU B 3 52.223 19.760 1.231 1.00 28.63 H ATOM 326 N ALA B 4 51.748 22.875 4.428 1.00 19.80 N ANISOU 326 N ALA B 4 2606 3044 1874 465 337 645 N ATOM 327 CA ALA B 4 51.392 24.127 3.786 1.00 19.35 C ANISOU 327 CA ALA B 4 2539 2884 1928 426 338 414 C ATOM 328 C ALA B 4 52.510 24.556 2.852 1.00 17.21 C ANISOU 328 C ALA B 4 2256 2475 1809 489 334 424 C ATOM 329 O ALA B 4 53.671 24.623 3.265 1.00 18.27 O ANISOU 329 O ALA B 4 2281 2744 1917 517 288 501 O ATOM 330 CB ALA B 4 51.142 25.198 4.838 1.00 21.95 C ANISOU 330 CB ALA B 4 2750 3429 2162 343 307 198 C ATOM 331 H ALA B 4 52.524 22.872 4.798 1.00 23.76 H ATOM 332 HA ALA B 4 50.582 24.008 3.266 1.00 23.22 H ATOM 333 HB1 ALA B 4 50.905 26.027 4.394 1.00 26.35 H ATOM 334 HB2 ALA B 4 50.415 24.911 5.413 1.00 26.35 H ATOM 335 HB3 ALA B 4 51.949 25.321 5.361 1.00 26.35 H ATOM 336 N ASN B 5 52.174 24.852 1.604 1.00 15.71 N ANISOU 336 N ASN B 5 2148 2062 1760 492 373 381 N ATOM 337 CA ASN B 5 53.112 25.502 0.694 1.00 16.47 C ANISOU 337 CA ASN B 5 2200 2061 1995 529 364 372 C ATOM 338 C ASN B 5 52.453 26.764 0.124 1.00 17.14 C ANISOU 338 C ASN B 5 2241 2053 2220 455 344 216 C ATOM 339 O ASN B 5 51.226 26.794 -0.094 1.00 17.34 O ANISOU 339 O ASN B 5 2307 2023 2256 407 374 190 O ATOM 340 CB ASN B 5 53.533 24.656 -0.503 1.00 16.14 C ANISOU 340 CB ASN B 5 2293 1839 2002 609 455 509 C ATOM 341 CG ASN B 5 54.397 23.477 -0.182 1.00 16.81 C ANISOU 341 CG ASN B 5 2417 1935 2034 746 527 701 C ATOM 342 ND2 ASN B 5 54.711 22.776 -1.232 1.00 15.36 N ANISOU 342 ND2 ASN B 5 2364 1581 1890 795 642 733 N ATOM 343 OD1 ASN B 5 54.765 23.148 0.970 1.00 19.54 O ANISOU 343 OD1 ASN B 5 2659 2465 2298 778 488 800 O ATOM 344 H ASN B 5 51.405 24.688 1.256 1.00 18.86 H ATOM 345 HA ASN B 5 53.908 25.763 1.183 1.00 19.76 H ATOM 346 HB2 ASN B 5 52.734 24.320 -0.939 1.00 19.37 H ATOM 347 HB3 ASN B 5 54.026 25.219 -1.119 1.00 19.37 H ATOM 348 HD21 ASN B 5 55.206 22.078 -1.151 1.00 18.43 H ATOM 349 HD22 ASN B 5 54.424 23.012 -2.008 1.00 18.43 H ATOM 350 N PHE B 6 53.259 27.788 -0.166 1.00 17.40 N ANISOU 350 N PHE B 6 2170 2067 2374 442 294 160 N ATOM 351 CA PHE B 6 52.738 28.994 -0.813 1.00 17.31 C ANISOU 351 CA PHE B 6 2105 1920 2550 389 286 65 C ATOM 352 C PHE B 6 53.714 29.563 -1.826 1.00 16.95 C ANISOU 352 C PHE B 6 1991 1803 2646 386 246 137 C ATOM 353 O PHE B 6 54.934 29.386 -1.751 1.00 17.72 O ANISOU 353 O PHE B 6 2038 1991 2702 414 209 215 O ATOM 354 CB PHE B 6 52.423 30.078 0.199 1.00 19.10 C ANISOU 354 CB PHE B 6 2271 2171 2813 337 276 -146 C ATOM 355 CG PHE B 6 53.643 30.620 0.865 1.00 21.86 C ANISOU 355 CG PHE B 6 2561 2622 3121 265 192 -224 C ATOM 356 CD1 PHE B 6 54.199 29.976 1.946 1.00 23.03 C ANISOU 356 CD1 PHE B 6 2699 3008 3043 234 151 -206 C ATOM 357 CD2 PHE B 6 54.252 31.750 0.381 1.00 23.95 C ANISOU 357 CD2 PHE B 6 2763 2769 3567 198 138 -272 C ATOM 358 CE1 PHE B 6 55.329 30.470 2.545 1.00 25.74 C ANISOU 358 CE1 PHE B 6 2963 3504 3315 113 49 -234 C ATOM 359 CE2 PHE B 6 55.397 32.241 0.984 1.00 25.62 C ANISOU 359 CE2 PHE B 6 2919 3101 3715 72 35 -320 C ATOM 360 CZ PHE B 6 55.930 31.593 2.060 1.00 26.26 C ANISOU 360 CZ PHE B 6 2982 3453 3542 20 -13 -297 C ATOM 361 H PHE B 6 54.103 27.809 -0.001 1.00 20.88 H ATOM 362 HA PHE B 6 51.918 28.772 -1.279 1.00 20.77 H ATOM 363 HB2 PHE B 6 51.978 30.812 -0.253 1.00 22.91 H ATOM 364 HB3 PHE B 6 51.845 29.711 0.886 1.00 22.91 H ATOM 365 HD1 PHE B 6 53.799 29.206 2.281 1.00 27.63 H ATOM 366 HD2 PHE B 6 53.893 32.189 -0.355 1.00 28.74 H ATOM 367 HE1 PHE B 6 55.694 30.030 3.278 1.00 30.89 H ATOM 368 HE2 PHE B 6 55.803 33.011 0.656 1.00 30.75 H ATOM 369 HZ PHE B 6 56.695 31.926 2.472 1.00 31.51 H ATOM 370 N LEU B 7 53.146 30.270 -2.783 1.00 17.88 N ANISOU 370 N LEU B 7 2072 1789 2932 348 252 155 N ATOM 371 CA LEU B 7 53.921 31.007 -3.776 1.00 18.34 C ANISOU 371 CA LEU B 7 2034 1789 3144 319 204 238 C ATOM 372 C LEU B 7 53.236 32.347 -3.944 1.00 16.70 C ANISOU 372 C LEU B 7 1731 1437 3178 265 188 181 C ATOM 373 O LEU B 7 52.042 32.401 -4.258 1.00 17.21 O ANISOU 373 O LEU B 7 1789 1445 3305 264 240 223 O ATOM 374 CB LEU B 7 53.992 30.270 -5.106 1.00 18.73 C ANISOU 374 CB LEU B 7 2140 1836 3142 327 251 402 C ATOM 375 CG LEU B 7 54.879 30.953 -6.144 1.00 20.17 C ANISOU 375 CG LEU B 7 2200 2018 3444 298 209 516 C ATOM 376 CD1 LEU B 7 55.611 29.906 -6.966 1.00 22.92 C ANISOU 376 CD1 LEU B 7 2637 2437 3637 360 298 627 C ATOM 377 CD2 LEU B 7 54.078 31.902 -7.012 1.00 19.20 C ANISOU 377 CD2 LEU B 7 1980 1843 3470 183 173 563 C ATOM 378 H LEU B 7 52.296 30.344 -2.885 1.00 21.45 H ATOM 379 HA LEU B 7 54.823 31.153 -3.449 1.00 22.00 H ATOM 380 HB2 LEU B 7 54.347 29.380 -4.952 1.00 22.48 H ATOM 381 HB3 LEU B 7 53.097 30.208 -5.477 1.00 22.48 H ATOM 382 HG LEU B 7 55.549 31.478 -5.678 1.00 24.20 H ATOM 383 HD11 LEU B 7 56.170 30.353 -7.620 1.00 27.51 H ATOM 384 HD12 LEU B 7 56.159 29.367 -6.375 1.00 27.51 H ATOM 385 HD13 LEU B 7 54.959 29.346 -7.416 1.00 27.51 H ATOM 386 HD21 LEU B 7 54.672 32.316 -7.657 1.00 23.03 H ATOM 387 HD22 LEU B 7 53.387 31.401 -7.473 1.00 23.03 H ATOM 388 HD23 LEU B 7 53.675 32.581 -6.449 1.00 23.03 H ATOM 389 N VAL B 8 53.961 33.427 -3.737 1.00 15.15 N ANISOU 389 N VAL B 8 1451 1175 3131 212 124 114 N ATOM 390 CA VAL B 8 53.388 34.736 -3.936 1.00 16.65 C ANISOU 390 CA VAL B 8 1564 1157 3605 180 136 75 C ATOM 391 C VAL B 8 54.418 35.494 -4.791 1.00 18.64 C ANISOU 391 C VAL B 8 1700 1364 4020 99 36 206 C ATOM 392 O VAL B 8 55.463 35.932 -4.326 1.00 19.60 O ANISOU 392 O VAL B 8 1805 1507 4134 15 -47 137 O ATOM 393 CB VAL B 8 53.047 35.454 -2.615 1.00 19.77 C ANISOU 393 CB VAL B 8 2024 1446 4042 169 192 -199 C ATOM 394 CG1 VAL B 8 52.569 36.861 -2.875 1.00 23.63 C ANISOU 394 CG1 VAL B 8 2456 1731 4792 147 236 -220 C ATOM 395 CG2 VAL B 8 51.986 34.682 -1.854 1.00 19.07 C ANISOU 395 CG2 VAL B 8 2014 1451 3781 253 296 -281 C ATOM 396 H VAL B 8 54.782 33.429 -3.482 1.00 18.18 H ATOM 397 HA VAL B 8 52.571 34.650 -4.452 1.00 19.98 H ATOM 398 HB VAL B 8 53.842 35.500 -2.063 1.00 23.73 H ATOM 399 HG11 VAL B 8 52.363 37.285 -2.028 1.00 28.36 H ATOM 400 HG12 VAL B 8 53.271 37.353 -3.330 1.00 28.36 H ATOM 401 HG13 VAL B 8 51.775 36.827 -3.431 1.00 28.36 H ATOM 402 HG21 VAL B 8 51.787 35.151 -1.028 1.00 22.88 H ATOM 403 HG22 VAL B 8 51.187 34.621 -2.401 1.00 22.88 H ATOM 404 HG23 VAL B 8 52.321 33.794 -1.658 1.00 22.88 H TER 405 VAL B 8 HETATM 406 C ORT B 9 58.661 34.717 -5.066 1.00 23.27 C ANISOU 406 C ORT B 9 2075 2495 4270 -5 -215 540 C HETATM 407 O ORT B 9 59.678 34.019 -5.119 1.00 24.81 O ANISOU 407 O ORT B 9 2203 2906 4316 53 -220 697 O HETATM 408 NA ORT B 9 59.168 35.453 -7.319 1.00 22.87 N ANISOU 408 NA ORT B 9 1835 2430 4424 -48 -249 879 N HETATM 409 CB ORT B 9 56.877 34.460 -6.782 1.00 20.36 C ANISOU 409 CB ORT B 9 1760 1944 4032 85 -75 643 C HETATM 410 CG ORT B 9 55.928 35.190 -7.760 1.00 19.91 C ANISOU 410 CG ORT B 9 1641 1807 4117 2 -60 708 C HETATM 411 CD ORT B 9 55.015 36.209 -7.100 1.00 20.35 C ANISOU 411 CD ORT B 9 1678 1699 4357 -1 -55 563 C HETATM 412 NE ORT B 9 54.123 35.557 -6.125 1.00 19.05 N ANISOU 412 NE ORT B 9 1660 1504 4076 67 34 405 N HETATM 413 CQ ORT B 9 58.058 35.342 -6.287 1.00 22.33 C ANISOU 413 CQ ORT B 9 1900 2220 4366 -21 -201 639 C HETATM 414 H ORT B 9 53.266 35.165 -6.510 1.00 22.86 H HETATM 415 HN1 ORT B 9 60.042 35.818 -6.934 1.00 27.44 H HETATM 416 HN2 ORT B 9 59.413 34.557 -7.746 1.00 27.44 H HETATM 417 HN3 ORT B 9 58.934 36.071 -8.100 1.00 27.44 H HETATM 418 HA ORT B 9 57.761 36.364 -6.038 1.00 26.80 H HETATM 419 HB2 ORT B 9 57.262 33.554 -7.271 1.00 24.43 H HETATM 420 HB3 ORT B 9 56.277 34.190 -5.902 1.00 24.43 H HETATM 421 HG2 ORT B 9 55.302 34.442 -8.260 1.00 23.89 H HETATM 422 HG3 ORT B 9 56.533 35.698 -8.520 1.00 23.89 H HETATM 423 HD2 ORT B 9 54.400 36.681 -7.873 1.00 24.42 H HETATM 424 HD3 ORT B 9 55.628 36.954 -6.583 1.00 24.42 H ATOM 425 N ILE B 10 58.004 34.983 -3.902 1.00 21.48 N ANISOU 425 N ILE B 10 1958 2178 4025 -53 -207 295 N ATOM 426 CA ILE B 10 58.431 34.394 -2.671 1.00 22.52 C ANISOU 426 CA ILE B 10 2133 2500 3924 -72 -228 212 C ATOM 427 C ILE B 10 57.707 33.069 -2.588 1.00 21.12 C ANISOU 427 C ILE B 10 2060 2377 3586 102 -105 230 C ATOM 428 O ILE B 10 56.552 32.920 -3.016 1.00 21.21 O ANISOU 428 O ILE B 10 2154 2245 3662 167 -16 184 O ATOM 429 CB ILE B 10 58.168 35.323 -1.462 1.00 28.02 C ANISOU 429 CB ILE B 10 2911 3110 4627 -246 -269 -76 C ATOM 430 CG1 ILE B 10 59.125 36.499 -1.565 1.00 35.29 C ANISOU 430 CG1 ILE B 10 3750 3984 5677 -467 -410 -64 C ATOM 431 CG2 ILE B 10 58.398 34.574 -0.140 1.00 29.12 C ANISOU 431 CG2 ILE B 10 3093 3507 4464 -284 -284 -153 C ATOM 432 CD1 ILE B 10 59.145 37.434 -0.391 1.00 42.06 C ANISOU 432 CD1 ILE B 10 4725 4756 6498 -708 -456 -367 C ATOM 433 H ILE B 10 57.279 35.442 -3.843 1.00 25.78 H ATOM 434 HA ILE B 10 59.384 34.217 -2.715 1.00 27.03 H ATOM 435 HB ILE B 10 57.254 35.646 -1.495 1.00 33.63 H ATOM 436 HG12 ILE B 10 60.025 36.152 -1.673 1.00 42.35 H ATOM 437 HG13 ILE B 10 58.885 37.021 -2.347 1.00 42.35 H ATOM 438 HG21 ILE B 10 58.226 35.179 0.599 1.00 34.94 H ATOM 439 HG22 ILE B 10 57.792 33.818 -0.097 1.00 34.94 H ATOM 440 HG23 ILE B 10 59.316 34.265 -0.108 1.00 34.94 H ATOM 441 HD11 ILE B 10 59.785 38.142 -0.562 1.00 50.47 H ATOM 442 HD12 ILE B 10 58.259 37.811 -0.273 1.00 50.47 H ATOM 443 HD13 ILE B 10 59.402 36.939 0.402 1.00 50.47 H ATOM 444 N LYS B 11 58.423 32.088 -2.085 1.00 20.65 N ANISOU 444 N LYS B 11 1980 2537 3330 166 -103 345 N ATOM 445 CA LYS B 11 57.950 30.728 -2.022 1.00 20.78 C ANISOU 445 CA LYS B 11 2101 2587 3206 325 15 406 C ATOM 446 C LYS B 11 58.272 30.188 -0.642 1.00 20.71 C ANISOU 446 C LYS B 11 2076 2793 3001 304 -21 405 C ATOM 447 O LYS B 11 59.282 30.534 -0.031 1.00 24.46 O ANISOU 447 O LYS B 11 2415 3470 3408 199 -130 474 O ATOM 448 CB LYS B 11 58.639 29.823 -3.074 1.00 24.17 C ANISOU 448 CB LYS B 11 2518 3045 3621 485 110 642 C ATOM 449 CG LYS B 11 58.670 30.306 -4.528 1.00 27.65 C ANISOU 449 CG LYS B 11 2932 3376 4199 478 134 705 C ATOM 450 CD LYS B 11 59.561 29.423 -5.369 1.00 32.55 C ANISOU 450 CD LYS B 11 3554 4072 4740 618 259 893 C ATOM 451 CE LYS B 11 59.839 30.052 -6.735 1.00 36.93 C ANISOU 451 CE LYS B 11 4051 4615 5368 547 262 950 C ATOM 452 NZ LYS B 11 60.811 31.192 -6.607 1.00 40.64 N1+ ANISOU 452 NZ LYS B 11 4300 5197 5945 443 111 1047 N1+ ATOM 453 H LYS B 11 59.214 32.191 -1.763 1.00 24.78 H ATOM 454 HA LYS B 11 56.990 30.701 -2.159 1.00 24.93 H ATOM 455 HB2 LYS B 11 59.561 29.696 -2.799 1.00 29.00 H ATOM 456 HB3 LYS B 11 58.187 28.965 -3.071 1.00 29.00 H ATOM 457 HG2 LYS B 11 57.773 30.277 -4.897 1.00 33.18 H ATOM 458 HG3 LYS B 11 59.019 31.211 -4.559 1.00 33.18 H ATOM 459 HD2 LYS B 11 60.408 29.296 -4.914 1.00 39.06 H ATOM 460 HD3 LYS B 11 59.124 28.569 -5.510 1.00 39.06 H ATOM 461 HE2 LYS B 11 60.224 29.385 -7.325 1.00 44.32 H ATOM 462 HE3 LYS B 11 59.011 30.395 -7.107 1.00 44.32 H ATOM 463 HZ1 LYS B 11 60.965 31.550 -7.407 1.00 48.77 H ATOM 464 HZ2 LYS B 11 60.477 31.817 -6.069 1.00 48.77 H ATOM 465 HZ3 LYS B 11 61.580 30.899 -6.268 1.00 48.77 H TER 466 LYS B 11 HETATM 467 N HAO B 12 57.415 29.257 -0.139 1.00 18.72 N ANISOU 467 N HAO B 12 1943 2536 2633 382 62 368 N HETATM 468 C HAO B 12 54.678 23.467 6.984 1.00 23.02 C ANISOU 468 C HAO B 12 2519 4266 1963 355 106 867 C HETATM 469 O HAO B 12 53.850 23.080 6.166 1.00 20.77 O ANISOU 469 O HAO B 12 2401 3688 1803 440 197 828 O HETATM 470 CM HAO B 12 60.734 28.756 3.492 1.00 25.75 C ANISOU 470 CM HAO B 12 2292 4561 2930 48 -300 866 C HETATM 471 OM HAO B 12 59.426 28.493 2.984 1.00 22.49 O ANISOU 471 OM HAO B 12 2098 3829 2618 185 -161 663 O HETATM 472 C01 HAO B 12 55.866 24.325 6.587 1.00 23.00 C ANISOU 472 C01 HAO B 12 2414 4288 2038 328 44 844 C HETATM 473 N01 HAO B 12 55.875 24.801 5.259 1.00 21.73 N ANISOU 473 N01 HAO B 12 2356 3799 2102 416 103 733 N HETATM 474 O01 HAO B 12 56.753 24.572 7.416 1.00 26.26 O ANISOU 474 O01 HAO B 12 2646 5032 2298 203 -67 947 O HETATM 475 C02 HAO B 12 56.838 25.685 4.705 1.00 21.28 C ANISOU 475 C02 HAO B 12 2214 3725 2147 385 48 704 C HETATM 476 N02 HAO B 12 57.670 28.694 1.079 1.00 19.03 N ANISOU 476 N02 HAO B 12 1945 2799 2486 360 29 413 N HETATM 477 C03 HAO B 12 58.001 26.029 5.343 1.00 22.94 C ANISOU 477 C03 HAO B 12 2227 4235 2252 272 -72 833 C HETATM 478 C04 HAO B 12 58.878 26.943 4.787 1.00 22.43 C ANISOU 478 C04 HAO B 12 2078 4160 2286 204 -141 814 C HETATM 479 C05 HAO B 12 58.553 27.537 3.560 1.00 21.16 C ANISOU 479 C05 HAO B 12 2029 3669 2342 269 -81 658 C HETATM 480 C06 HAO B 12 57.322 27.172 2.930 1.00 18.64 C ANISOU 480 C06 HAO B 12 1902 3064 2117 384 44 532 C HETATM 481 O06 HAO B 12 55.836 27.313 1.040 1.00 15.51 O ANISOU 481 O06 HAO B 12 1742 2179 1974 490 192 370 O HETATM 482 C07 HAO B 12 56.477 26.245 3.515 1.00 18.24 C ANISOU 482 C07 HAO B 12 1937 3040 1954 431 103 556 C HETATM 483 C08 HAO B 12 56.867 27.702 1.601 1.00 17.55 C ANISOU 483 C08 HAO B 12 1859 2625 2183 430 102 423 C HETATM 484 H HAO B 12 56.655 28.912 -0.515 1.00 22.46 H HETATM 485 HN1 HAO B 12 55.157 24.589 4.737 1.00 26.08 H HETATM 486 HN2 HAO B 12 58.425 28.938 1.531 1.00 22.83 H HETATM 487 HM1 HAO B 12 60.968 29.695 3.325 1.00 30.90 H HETATM 488 HM2 HAO B 12 61.382 28.173 3.044 1.00 30.90 H HETATM 489 HM3 HAO B 12 60.751 28.582 4.459 1.00 30.90 H HETATM 490 H03 HAO B 12 58.211 25.628 6.207 1.00 27.52 H HETATM 491 H04 HAO B 12 59.702 27.184 5.251 1.00 26.92 H HETATM 492 H07 HAO B 12 55.637 25.995 3.083 1.00 21.89 H ATOM 493 N LYS B 13 54.572 23.231 8.320 1.00 24.78 N ANISOU 493 N LYS B 13 2624 4854 1939 230 39 936 N ATOM 494 CA LYS B 13 53.520 22.439 8.929 1.00 28.30 C ANISOU 494 CA LYS B 13 3111 5376 2265 217 72 1004 C ATOM 495 C LYS B 13 52.557 23.390 9.604 1.00 30.94 C ANISOU 495 C LYS B 13 3462 5867 2426 62 78 655 C ATOM 496 O LYS B 13 52.943 24.096 10.521 1.00 30.36 O ANISOU 496 O LYS B 13 3291 6103 2142 -108 15 515 O ATOM 497 CB LYS B 13 54.141 21.463 9.927 1.00 34.57 C ANISOU 497 CB LYS B 13 3726 6422 2985 192 8 1326 C ATOM 498 CG LYS B 13 53.250 20.404 10.529 1.00 43.40 C ANISOU 498 CG LYS B 13 4861 7518 4112 181 28 1426 C ATOM 499 CD LYS B 13 54.035 19.081 10.711 1.00 53.39 C ANISOU 499 CD LYS B 13 6022 8715 5549 287 40 1779 C ATOM 500 CE LYS B 13 55.372 19.256 11.455 1.00 61.94 C ANISOU 500 CE LYS B 13 6822 10137 6577 224 -39 1966 C ATOM 501 NZ LYS B 13 55.230 19.859 12.814 1.00 67.01 N1+ ANISOU 501 NZ LYS B 13 7289 11243 6929 -38 -151 1871 N1+ ATOM 502 H LYS B 13 55.150 23.510 8.892 1.00 29.74 H ATOM 503 HA LYS B 13 53.045 21.937 8.248 1.00 33.96 H ATOM 504 HB2 LYS B 13 54.867 21.000 9.480 1.00 41.48 H ATOM 505 HB3 LYS B 13 54.502 21.980 10.664 1.00 41.48 H ATOM 506 HG2 LYS B 13 52.938 20.699 11.398 1.00 52.08 H ATOM 507 HG3 LYS B 13 52.500 20.238 9.937 1.00 52.08 H ATOM 508 HD2 LYS B 13 53.490 18.461 11.221 1.00 64.07 H ATOM 509 HD3 LYS B 13 54.228 18.707 9.837 1.00 64.07 H ATOM 510 HE2 LYS B 13 55.788 18.386 11.558 1.00 74.33 H ATOM 511 HE3 LYS B 13 55.947 19.835 10.931 1.00 74.33 H ATOM 512 HZ1 LYS B 13 56.030 19.937 13.196 1.00 80.41 H ATOM 513 HZ2 LYS B 13 54.859 20.666 12.751 1.00 80.41 H ATOM 514 HZ3 LYS B 13 54.714 19.343 13.323 1.00 80.41 H TER 515 LYS B 13 HETATM 516 N A8E B 14 51.303 23.405 9.184 1.00 18.24 N HETATM 517 CA A8E B 14 50.090 24.173 9.557 1.00 23.94 C HETATM 518 C A8E B 14 49.285 23.353 10.666 1.00 25.61 C HETATM 519 O A8E B 14 48.330 22.690 10.376 1.00 28.27 O HETATM 520 CB A8E B 14 49.249 24.428 8.285 1.00 30.09 C HETATM 521 CG A8E B 14 48.840 25.836 7.874 1.00 34.82 C HETATM 522 CD1 A8E B 14 47.848 26.154 7.119 1.00 29.40 C HETATM 523 BR A8E B 14 50.081 27.220 8.291 1.00 45.07 Br HETATM 524 H A8E B 14 51.200 22.756 8.430 1.00 21.88 H HETATM 525 HA A8E B 14 50.431 25.114 10.014 1.00 28.73 H HETATM 526 HB A8E B 14 48.322 23.845 8.393 1.00 36.10 H HETATM 527 HBA A8E B 14 49.809 24.000 7.441 1.00 36.10 H HETATM 528 HD1 A8E B 14 47.024 25.440 6.972 1.00 35.28 H HETATM 529 HD1A A8E B 14 47.578 27.213 6.989 1.00 35.28 H TER 530 A8E B 14 HETATM 531 C ORT C 1 35.514 32.196 -5.187 1.00 54.11 C HETATM 532 O ORT C 1 34.457 32.543 -4.653 1.00 53.81 O HETATM 533 NA ORT C 1 34.278 32.115 -7.347 1.00 62.60 N HETATM 534 CB ORT C 1 36.610 32.988 -7.321 1.00 61.23 C HETATM 535 CG ORT C 1 37.026 32.651 -8.769 1.00 59.58 C HETATM 536 CD ORT C 1 38.102 31.554 -8.835 1.00 56.79 C HETATM 537 NE ORT C 1 39.276 31.956 -8.098 1.00 54.23 N HETATM 538 CQ ORT C 1 35.616 31.977 -6.708 1.00 60.09 C HETATM 539 H ORT C 1 39.838 32.687 -8.528 1.00 65.08 H HETATM 540 HN1 ORT C 1 33.967 33.087 -7.431 1.00 75.12 H HETATM 541 HN2 ORT C 1 34.243 31.738 -8.298 1.00 75.12 H HETATM 542 HN3 ORT C 1 33.533 31.634 -6.837 1.00 75.12 H HETATM 543 HA ORT C 1 35.919 30.939 -6.872 1.00 72.11 H HETATM 544 HB2 ORT C 1 36.175 33.997 -7.306 1.00 73.47 H HETATM 545 HB3 ORT C 1 37.525 32.960 -6.713 1.00 73.47 H HETATM 546 HG2 ORT C 1 36.141 32.320 -9.324 1.00 71.49 H HETATM 547 HG3 ORT C 1 37.422 33.557 -9.243 1.00 71.49 H HETATM 548 HD2 ORT C 1 37.701 30.634 -8.398 1.00 68.15 H HETATM 549 HD3 ORT C 1 38.383 31.399 -9.880 1.00 68.15 H HETATM 550 N CIR C 2 36.673 31.981 -4.481 1.00 48.03 N HETATM 551 C CIR C 2 37.580 32.909 -2.452 1.00 31.29 C HETATM 552 O CIR C 2 38.405 33.327 -3.204 1.00 30.50 O HETATM 553 C2 CIR C 2 36.561 31.949 -2.997 1.00 43.12 C HETATM 554 C3 CIR C 2 36.970 30.587 -2.477 1.00 49.05 C HETATM 555 C4 CIR C 2 35.814 29.665 -2.854 1.00 54.20 C HETATM 556 C5 CIR C 2 35.692 28.499 -1.880 1.00 57.94 C HETATM 557 N6 CIR C 2 34.233 28.208 -1.646 1.00 59.29 N HETATM 558 C7 CIR C 2 33.732 26.895 -1.971 1.00 58.95 C HETATM 559 O7 CIR C 2 34.500 26.083 -2.407 1.00 60.79 O HETATM 560 N8 CIR C 2 32.337 26.554 -1.775 1.00 56.72 N HETATM 561 H CIR C 2 37.532 31.702 -4.909 1.00 57.63 H HETATM 562 HN6 CIR C 2 33.623 28.912 -1.282 1.00 71.15 H HETATM 563 HN81 CIR C 2 32.009 25.637 -2.003 1.00 68.07 H HETATM 564 HN82 CIR C 2 31.702 27.234 -1.409 1.00 68.07 H HETATM 565 H2 CIR C 2 35.630 32.385 -2.605 1.00 51.75 H HETATM 566 H31 CIR C 2 37.899 30.254 -2.964 1.00 58.87 H HETATM 567 H32 CIR C 2 37.097 30.615 -1.385 1.00 58.87 H HETATM 568 H41 CIR C 2 35.984 29.271 -3.867 1.00 65.04 H HETATM 569 H42 CIR C 2 34.878 30.242 -2.845 1.00 65.04 H HETATM 570 H51 CIR C 2 36.181 27.611 -2.305 1.00 69.52 H HETATM 571 H52 CIR C 2 36.172 28.763 -0.926 1.00 69.52 H ATOM 572 N LEU C 3 37.148 33.621 -1.416 1.00 49.49 N ANISOU 572 N LEU C 3 4226 7846 6734 114 -249 783 N ATOM 573 CA LEU C 3 38.058 34.449 -0.628 1.00 42.43 C ANISOU 573 CA LEU C 3 3331 6705 6085 373 -35 231 C ATOM 574 C LEU C 3 39.351 33.725 -0.398 1.00 32.24 C ANISOU 574 C LEU C 3 2455 5325 4469 213 -119 13 C ATOM 575 O LEU C 3 39.347 32.563 -0.017 1.00 30.02 O ANISOU 575 O LEU C 3 2375 5322 3710 -14 -245 66 O ATOM 576 CB LEU C 3 37.416 34.809 0.719 1.00 48.67 C ANISOU 576 CB LEU C 3 3801 7814 6877 561 221 -127 C ATOM 577 CG LEU C 3 38.190 35.649 1.741 1.00 53.38 C ANISOU 577 CG LEU C 3 4428 8209 7644 778 450 -739 C ATOM 578 CD1 LEU C 3 37.231 36.262 2.751 1.00 58.33 C ANISOU 578 CD1 LEU C 3 4799 9019 8346 991 736 -965 C ATOM 579 CD2 LEU C 3 39.051 36.734 1.124 1.00 55.40 C ANISOU 579 CD2 LEU C 3 4789 7871 8390 951 444 -850 C ATOM 580 H LEU C 3 36.331 33.644 -1.148 1.00 59.39 H ATOM 581 HA LEU C 3 38.247 35.270 -1.108 1.00 50.91 H ATOM 582 HB2 LEU C 3 36.597 35.294 0.529 1.00 58.40 H ATOM 583 HB3 LEU C 3 37.187 33.978 1.163 1.00 58.40 H ATOM 584 HG LEU C 3 38.783 35.057 2.230 1.00 64.05 H ATOM 585 HD11 LEU C 3 37.738 36.788 3.389 1.00 70.00 H ATOM 586 HD12 LEU C 3 36.598 36.828 2.282 1.00 70.00 H ATOM 587 HD13 LEU C 3 36.760 35.549 3.211 1.00 70.00 H ATOM 588 HD21 LEU C 3 39.506 37.217 1.832 1.00 66.48 H ATOM 589 HD22 LEU C 3 39.702 36.323 0.533 1.00 66.48 H ATOM 590 HD23 LEU C 3 38.484 37.340 0.622 1.00 66.48 H ATOM 591 N ALA C 4 40.487 34.399 -0.585 1.00 27.62 N ANISOU 591 N ALA C 4 1987 4359 4149 323 -71 -219 N ATOM 592 CA ALA C 4 41.750 33.838 -0.145 1.00 24.48 C ANISOU 592 CA ALA C 4 1869 3924 3509 232 -118 -469 C ATOM 593 C ALA C 4 42.540 34.947 0.527 1.00 26.81 C ANISOU 593 C ALA C 4 2082 3982 4121 395 30 -892 C ATOM 594 O ALA C 4 42.530 36.095 0.068 1.00 27.58 O ANISOU 594 O ALA C 4 2053 3765 4660 544 101 -902 O ATOM 595 CB ALA C 4 42.543 33.215 -1.291 1.00 22.54 C ANISOU 595 CB ALA C 4 1916 3503 3147 103 -264 -225 C ATOM 596 H ALA C 4 40.546 35.171 -0.958 1.00 33.15 H ATOM 597 HA ALA C 4 41.579 33.147 0.514 1.00 29.38 H ATOM 598 HB1 ALA C 4 43.374 32.858 -0.942 1.00 27.05 H ATOM 599 HB2 ALA C 4 42.017 32.503 -1.688 1.00 27.05 H ATOM 600 HB3 ALA C 4 42.729 33.899 -1.954 1.00 27.05 H ATOM 601 N ASN C 5 43.161 34.609 1.645 1.00 26.51 N ANISOU 601 N ASN C 5 2138 4089 3846 330 39 -1217 N ATOM 602 CA ASN C 5 43.966 35.532 2.419 1.00 30.01 C ANISOU 602 CA ASN C 5 2570 4344 4490 394 135 -1623 C ATOM 603 C ASN C 5 45.142 34.742 2.936 1.00 27.12 C ANISOU 603 C ASN C 5 2397 4074 3833 220 -11 -1725 C ATOM 604 O ASN C 5 45.026 33.538 3.169 1.00 25.58 O ANISOU 604 O ASN C 5 2322 4145 3253 90 -144 -1600 O ATOM 605 CB ASN C 5 43.265 36.114 3.633 1.00 37.24 C ANISOU 605 CB ASN C 5 3350 5403 5396 484 331 -1993 C ATOM 606 CG ASN C 5 42.258 37.175 3.292 1.00 46.02 C ANISOU 606 CG ASN C 5 4248 6331 6909 743 498 -1964 C ATOM 607 ND2 ASN C 5 41.357 37.411 4.213 1.00 50.96 N ANISOU 607 ND2 ASN C 5 4779 7162 7422 816 671 -2129 N ATOM 608 OD1 ASN C 5 42.299 37.795 2.232 1.00 49.44 O ANISOU 608 OD1 ASN C 5 4644 6423 7717 844 446 -1734 O ATOM 609 H ASN C 5 43.128 33.820 1.987 1.00 31.82 H ATOM 610 HA ASN C 5 44.286 36.253 1.856 1.00 36.02 H ATOM 611 HB2 ASN C 5 42.800 35.401 4.098 1.00 44.69 H ATOM 612 HB3 ASN C 5 43.929 36.511 4.218 1.00 44.69 H ATOM 613 HD21 ASN C 5 40.752 38.007 4.080 1.00 61.16 H ATOM 614 HD22 ASN C 5 41.371 36.970 4.951 1.00 61.16 H ATOM 615 N PHE C 6 46.263 35.419 3.098 1.00 28.82 N ANISOU 615 N PHE C 6 2638 4064 4247 206 -20 -1915 N ATOM 616 CA PHE C 6 47.478 34.755 3.558 1.00 27.55 C ANISOU 616 CA PHE C 6 2589 3994 3886 60 -180 -1970 C ATOM 617 C PHE C 6 48.273 35.726 4.411 1.00 28.25 C ANISOU 617 C PHE C 6 2667 3951 4116 -18 -154 -2202 C ATOM 618 O PHE C 6 48.260 36.938 4.193 1.00 30.37 O ANISOU 618 O PHE C 6 2889 3940 4711 39 -62 -2338 O ATOM 619 CB PHE C 6 48.344 34.233 2.401 1.00 26.07 C ANISOU 619 CB PHE C 6 2440 3709 3755 87 -272 -1683 C ATOM 620 CG PHE C 6 48.948 35.316 1.569 1.00 28.48 C ANISOU 620 CG PHE C 6 2649 3731 4443 119 -201 -1637 C ATOM 621 CD1 PHE C 6 50.197 35.842 1.887 1.00 31.52 C ANISOU 621 CD1 PHE C 6 2972 4041 4964 22 -254 -1761 C ATOM 622 CD2 PHE C 6 48.255 35.841 0.489 1.00 29.36 C ANISOU 622 CD2 PHE C 6 2722 3663 4769 192 -121 -1428 C ATOM 623 CE1 PHE C 6 50.743 36.877 1.136 1.00 33.74 C ANISOU 623 CE1 PHE C 6 3169 4080 5570 -19 -220 -1685 C ATOM 624 CE2 PHE C 6 48.784 36.890 -0.266 1.00 31.57 C ANISOU 624 CE2 PHE C 6 2933 3673 5390 161 -98 -1352 C ATOM 625 CZ PHE C 6 50.028 37.404 0.057 1.00 33.21 C ANISOU 625 CZ PHE C 6 3093 3815 5709 47 -144 -1484 C ATOM 626 H PHE C 6 46.353 36.261 2.951 1.00 34.58 H ATOM 627 HA PHE C 6 47.233 33.998 4.113 1.00 33.06 H ATOM 628 HB2 PHE C 6 49.068 33.701 2.768 1.00 31.28 H ATOM 629 HB3 PHE C 6 47.794 33.684 1.821 1.00 31.28 H ATOM 630 HD1 PHE C 6 50.669 35.502 2.613 1.00 37.83 H ATOM 631 HD2 PHE C 6 47.413 35.507 0.281 1.00 35.23 H ATOM 632 HE1 PHE C 6 51.580 37.220 1.353 1.00 40.48 H ATOM 633 HE2 PHE C 6 48.311 37.229 -0.991 1.00 37.89 H ATOM 634 HZ PHE C 6 50.396 38.087 -0.456 1.00 39.85 H ATOM 635 N LEU C 7 48.953 35.167 5.398 1.00 26.80 N ANISOU 635 N LEU C 7 2577 3930 3675 -158 -251 -2147 N ATOM 636 CA LEU C 7 49.889 35.907 6.223 1.00 28.58 C ANISOU 636 CA LEU C 7 2848 4064 3948 -295 -285 -2278 C ATOM 637 C LEU C 7 51.055 34.975 6.453 1.00 27.57 C ANISOU 637 C LEU C 7 2767 4045 3665 -394 -478 -2066 C ATOM 638 O LEU C 7 50.844 33.835 6.888 1.00 26.66 O ANISOU 638 O LEU C 7 2759 4083 3287 -417 -557 -1884 O ATOM 639 CB LEU C 7 49.276 36.340 7.557 1.00 33.08 C ANISOU 639 CB LEU C 7 3517 4711 4340 -390 -189 -2486 C ATOM 640 CG LEU C 7 50.235 37.156 8.433 1.00 40.79 C ANISOU 640 CG LEU C 7 4624 5561 5313 -580 -257 -2627 C ATOM 641 CD1 LEU C 7 49.475 38.183 9.221 1.00 44.98 C ANISOU 641 CD1 LEU C 7 5256 5996 5837 -578 -80 -2947 C ATOM 642 CD2 LEU C 7 51.032 36.292 9.396 1.00 45.67 C ANISOU 642 CD2 LEU C 7 5364 6351 5636 -788 -456 -2458 C ATOM 643 H LEU C 7 48.887 34.338 5.615 1.00 32.16 H ATOM 644 HA LEU C 7 50.201 36.693 5.748 1.00 34.30 H ATOM 645 HB2 LEU C 7 48.495 36.887 7.380 1.00 39.69 H ATOM 646 HB3 LEU C 7 49.018 35.548 8.055 1.00 39.69 H ATOM 647 HG LEU C 7 50.863 37.624 7.861 1.00 48.94 H ATOM 648 HD11 LEU C 7 50.098 38.686 9.767 1.00 53.97 H ATOM 649 HD12 LEU C 7 49.018 38.777 8.605 1.00 53.97 H ATOM 650 HD13 LEU C 7 48.829 37.731 9.786 1.00 53.97 H ATOM 651 HD21 LEU C 7 51.617 36.861 9.920 1.00 54.80 H ATOM 652 HD22 LEU C 7 50.417 35.821 9.980 1.00 54.80 H ATOM 653 HD23 LEU C 7 51.558 35.655 8.887 1.00 54.80 H ATOM 654 N VAL C 8 52.253 35.424 6.099 1.00 28.64 N ANISOU 654 N VAL C 8 2811 4078 3994 -453 -568 -2061 N ATOM 655 CA VAL C 8 53.461 34.682 6.378 1.00 28.96 C ANISOU 655 CA VAL C 8 2820 4235 3950 -540 -764 -1887 C ATOM 656 C VAL C 8 54.544 35.675 6.869 1.00 32.75 C ANISOU 656 C VAL C 8 3251 4641 4551 -769 -869 -1955 C ATOM 657 O VAL C 8 55.215 36.363 6.096 1.00 32.59 O ANISOU 657 O VAL C 8 3060 4526 4797 -800 -876 -1949 O ATOM 658 CB VAL C 8 53.978 33.869 5.156 1.00 27.09 C ANISOU 658 CB VAL C 8 2419 4047 3825 -360 -810 -1731 C ATOM 659 CG1 VAL C 8 55.201 33.036 5.581 1.00 28.39 C ANISOU 659 CG1 VAL C 8 2501 4353 3934 -399 -1023 -1566 C ATOM 660 CG2 VAL C 8 52.926 32.957 4.524 1.00 24.54 C ANISOU 660 CG2 VAL C 8 2211 3751 3363 -180 -743 -1647 C ATOM 661 H VAL C 8 52.388 36.169 5.690 1.00 34.37 H ATOM 662 HA VAL C 8 53.284 34.056 7.097 1.00 34.76 H ATOM 663 HB VAL C 8 54.272 34.492 4.473 1.00 32.50 H ATOM 664 HG11 VAL C 8 55.520 32.531 4.817 1.00 34.07 H ATOM 665 HG12 VAL C 8 55.896 33.635 5.895 1.00 34.07 H ATOM 666 HG13 VAL C 8 54.939 32.431 6.292 1.00 34.07 H ATOM 667 HG21 VAL C 8 53.324 32.488 3.774 1.00 29.45 H ATOM 668 HG22 VAL C 8 52.620 32.320 5.189 1.00 29.45 H ATOM 669 HG23 VAL C 8 52.182 33.499 4.219 1.00 29.45 H TER 670 VAL C 8 HETATM 671 C ORT C 9 54.676 39.743 6.143 1.00 49.85 C ANISOU 671 C ORT C 9 5509 6026 7406 -1049 -732 -2377 C HETATM 672 O ORT C 9 54.086 40.826 6.095 1.00 53.54 O ANISOU 672 O ORT C 9 6125 6185 8031 -1025 -644 -2550 O HETATM 673 NA ORT C 9 56.050 40.441 8.153 1.00 54.60 N ANISOU 673 NA ORT C 9 6413 6646 7686 -1606 -1061 -2429 N HETATM 674 CB ORT C 9 54.364 38.637 8.299 1.00 47.25 C ANISOU 674 CB ORT C 9 5442 6035 6477 -1161 -803 -2448 C HETATM 675 CG ORT C 9 54.974 37.823 9.396 1.00 46.45 C ANISOU 675 CG ORT C 9 5420 6144 6085 -1347 -1010 -2308 C HETATM 676 CD ORT C 9 55.632 36.609 8.871 1.00 42.02 C ANISOU 676 CD ORT C 9 4644 5784 5539 -1264 -1136 -2021 C HETATM 677 NE ORT C 9 54.682 35.755 8.231 1.00 37.77 N ANISOU 677 NE ORT C 9 4071 5316 4965 -984 -977 -1985 N HETATM 678 CQ ORT C 9 55.391 39.297 7.399 1.00 49.18 C ANISOU 678 CQ ORT C 9 5522 6149 7017 -1274 -907 -2338 C HETATM 679 H ORT C 9 54.122 35.184 8.861 1.00 45.33 H HETATM 680 HN1 ORT C 9 56.572 41.078 7.546 1.00 65.52 H HETATM 681 HN2 ORT C 9 55.383 41.031 8.655 1.00 65.52 H HETATM 682 HN3 ORT C 9 56.721 40.127 8.859 1.00 65.52 H HETATM 683 HA ORT C 9 56.198 38.620 7.105 1.00 59.02 H HETATM 684 HB2 ORT C 9 53.709 39.398 8.745 1.00 56.70 H HETATM 685 HB3 ORT C 9 53.776 37.945 7.679 1.00 56.70 H HETATM 686 HG2 ORT C 9 54.188 37.523 10.098 1.00 55.74 H HETATM 687 HG3 ORT C 9 55.713 38.434 9.927 1.00 55.74 H HETATM 688 HD2 ORT C 9 56.081 36.065 9.707 1.00 50.43 H HETATM 689 HD3 ORT C 9 56.396 36.904 8.145 1.00 50.43 H ATOM 690 N ILE C 10 54.677 38.852 5.090 1.00 42.06 N ANISOU 690 N ILE C 10 4294 5183 6504 -869 -696 -2195 N ATOM 691 CA ILE C 10 53.998 39.192 3.853 1.00 41.31 C ANISOU 691 CA ILE C 10 4122 4886 6687 -708 -570 -2169 C ATOM 692 C ILE C 10 52.549 38.820 4.067 1.00 37.82 C ANISOU 692 C ILE C 10 3790 4453 6129 -483 -419 -2298 C ATOM 693 O ILE C 10 52.242 37.782 4.670 1.00 36.53 O ANISOU 693 O ILE C 10 3665 4558 5655 -428 -421 -2281 O ATOM 694 CB ILE C 10 54.608 38.512 2.625 1.00 41.89 C ANISOU 694 CB ILE C 10 3936 5108 6871 -664 -583 -1909 C ATOM 695 CG1 ILE C 10 54.378 37.001 2.656 1.00 41.14 C ANISOU 695 CG1 ILE C 10 3828 5299 6503 -464 -570 -1829 C ATOM 696 CG2 ILE C 10 56.093 38.818 2.561 1.00 45.12 C ANISOU 696 CG2 ILE C 10 4160 5633 7350 -885 -707 -1734 C ATOM 697 CD1 ILE C 10 54.733 36.331 1.373 1.00 41.21 C ANISOU 697 CD1 ILE C 10 3718 5413 6527 -306 -477 -1539 C ATOM 698 H ILE C 10 55.066 38.085 5.090 1.00 50.47 H ATOM 699 HA ILE C 10 54.046 40.152 3.719 1.00 49.57 H ATOM 700 HB ILE C 10 54.184 38.872 1.830 1.00 50.26 H ATOM 701 HG12 ILE C 10 54.926 36.614 3.357 1.00 49.36 H ATOM 702 HG13 ILE C 10 53.441 36.829 2.834 1.00 49.36 H ATOM 703 HG21 ILE C 10 56.471 38.383 1.780 1.00 54.14 H ATOM 704 HG22 ILE C 10 56.214 39.778 2.496 1.00 54.14 H ATOM 705 HG23 ILE C 10 56.519 38.483 3.365 1.00 54.14 H ATOM 706 HD11 ILE C 10 54.565 35.380 1.457 1.00 49.45 H ATOM 707 HD12 ILE C 10 54.186 36.702 0.662 1.00 49.45 H ATOM 708 HD13 ILE C 10 55.671 36.487 1.185 1.00 49.45 H ATOM 709 N LYS C 11 51.672 39.706 3.614 1.00 38.96 N ANISOU 709 N LYS C 11 3979 4300 6526 -370 -308 -2376 N ATOM 710 CA LYS C 11 50.254 39.586 3.873 1.00 40.95 C ANISOU 710 CA LYS C 11 4273 4576 6709 -160 -153 -2479 C ATOM 711 C LYS C 11 49.480 40.025 2.645 1.00 36.79 C ANISOU 711 C LYS C 11 3673 3778 6528 15 -84 -2340 C ATOM 712 O LYS C 11 49.791 41.040 2.020 1.00 39.16 O ANISOU 712 O LYS C 11 3984 3734 7162 -30 -133 -2265 O ATOM 713 CB LYS C 11 49.836 40.438 5.081 1.00 50.80 C ANISOU 713 CB LYS C 11 5680 5738 7882 -170 -69 -2742 C ATOM 714 CG LYS C 11 50.879 40.548 6.178 1.00 58.84 C ANISOU 714 CG LYS C 11 6848 6840 8668 -432 -186 -2840 C ATOM 715 CD LYS C 11 50.361 41.371 7.353 1.00 68.32 C ANISOU 715 CD LYS C 11 8275 7929 9754 -448 -82 -3133 C ATOM 716 CE LYS C 11 51.500 41.843 8.262 1.00 74.00 C ANISOU 716 CE LYS C 11 9223 8586 10309 -767 -251 -3212 C ATOM 717 NZ LYS C 11 51.002 42.492 9.507 1.00 79.48 N1+ ANISOU 717 NZ LYS C 11 10201 9194 10804 -804 -150 -3524 N1+ ATOM 718 H LYS C 11 51.882 40.397 3.146 1.00 46.76 H ATOM 719 HA LYS C 11 50.036 38.659 4.059 1.00 49.14 H ATOM 720 HB2 LYS C 11 49.640 41.336 4.772 1.00 60.96 H ATOM 721 HB3 LYS C 11 49.039 40.048 5.472 1.00 60.96 H ATOM 722 HG2 LYS C 11 51.099 39.660 6.502 1.00 70.61 H ATOM 723 HG3 LYS C 11 51.670 40.984 5.826 1.00 70.61 H ATOM 724 HD2 LYS C 11 49.899 42.153 7.015 1.00 81.98 H ATOM 725 HD3 LYS C 11 49.757 40.827 7.882 1.00 81.98 H ATOM 726 HE2 LYS C 11 52.040 41.078 8.517 1.00 88.80 H ATOM 727 HE3 LYS C 11 52.042 42.488 7.782 1.00 88.80 H ATOM 728 HZ1 LYS C 11 51.689 42.753 10.010 1.00 95.38 H ATOM 729 HZ2 LYS C 11 50.508 43.203 9.302 1.00 95.38 H ATOM 730 HZ3 LYS C 11 50.506 41.918 9.972 1.00 95.38 H TER 731 LYS C 11 HETATM 732 N HAO C 12 48.411 39.246 2.287 1.00 33.81 N ANISOU 732 N HAO C 12 3232 3576 6038 189 2 -2210 N HETATM 733 C HAO C 12 41.272 37.080 -3.434 1.00 35.18 C ANISOU 733 C HAO C 12 2865 4217 6285 475 -164 241 C HETATM 734 O HAO C 12 40.655 36.734 -2.432 1.00 40.10 O ANISOU 734 O HAO C 12 3360 5125 6752 573 -69 56 O HETATM 735 CM HAO C 12 47.162 42.801 -0.694 1.00 38.56 C ANISOU 735 CM HAO C 12 3754 2860 8037 425 -109 -1599 C HETATM 736 OM HAO C 12 47.095 41.415 -0.438 1.00 34.86 O ANISOU 736 OM HAO C 12 3232 2849 7165 426 -29 -1598 O HETATM 737 C01 HAO C 12 42.345 38.118 -3.341 1.00 32.15 C ANISOU 737 C01 HAO C 12 2526 3465 6226 547 -115 -30 C HETATM 738 N01 HAO C 12 42.822 38.213 -2.031 1.00 29.82 N ANISOU 738 N01 HAO C 12 2237 3231 5861 657 18 -518 N HETATM 739 O01 HAO C 12 42.719 38.794 -4.296 1.00 31.79 O ANISOU 739 O01 HAO C 12 2517 3120 6442 462 -209 182 O HETATM 740 C02 HAO C 12 43.850 39.095 -1.677 1.00 30.64 C ANISOU 740 C02 HAO C 12 2410 3041 6192 674 46 -818 C HETATM 741 N02 HAO C 12 47.646 39.593 1.230 1.00 31.42 N ANISOU 741 N02 HAO C 12 2857 3096 5985 326 39 -1949 N HETATM 742 C03 HAO C 12 44.146 40.243 -2.359 1.00 32.60 C ANISOU 742 C03 HAO C 12 2651 2867 6867 675 -29 -715 C HETATM 743 C04 HAO C 12 45.219 41.022 -1.956 1.00 33.59 C ANISOU 743 C04 HAO C 12 2879 2735 7147 613 -41 -990 C HETATM 744 C05 HAO C 12 45.989 40.646 -0.860 1.00 32.77 C ANISOU 744 C05 HAO C 12 2864 2815 6774 555 24 -1363 C HETATM 745 C06 HAO C 12 45.664 39.451 -0.204 1.00 30.81 C ANISOU 745 C06 HAO C 12 2610 2993 6103 568 92 -1447 C HETATM 746 O06 HAO C 12 46.018 37.994 1.645 1.00 31.72 O ANISOU 746 O06 HAO C 12 2826 3675 5550 460 136 -1852 O HETATM 747 C07 HAO C 12 44.590 38.694 -0.607 1.00 29.51 C ANISOU 747 C07 HAO C 12 2365 3066 5783 625 102 -1181 C HETATM 748 C08 HAO C 12 46.427 38.948 0.977 1.00 31.04 C ANISOU 748 C08 HAO C 12 2732 3242 5819 468 107 -1782 C HETATM 749 H HAO C 12 48.091 38.492 2.695 1.00 40.57 H HETATM 750 HN1 HAO C 12 42.478 37.657 -1.394 1.00 35.78 H HETATM 751 HN2 HAO C 12 47.897 40.297 0.706 1.00 37.71 H HETATM 752 HM1 HAO C 12 48.100 43.070 -0.800 1.00 46.27 H HETATM 753 HM2 HAO C 12 46.764 43.291 0.055 1.00 46.27 H HETATM 754 HM3 HAO C 12 46.668 43.006 -1.518 1.00 46.27 H HETATM 755 H03 HAO C 12 43.607 40.510 -3.127 1.00 39.11 H HETATM 756 H04 HAO C 12 45.427 41.847 -2.435 1.00 40.30 H HETATM 757 H07 HAO C 12 44.378 37.859 -0.147 1.00 35.42 H ATOM 758 N LYS C 13 41.070 36.529 -4.658 1.00 33.02 N ANISOU 758 N LYS C 13 2730 3968 5848 241 -326 698 N ATOM 759 CA LYS C 13 40.100 35.461 -4.780 1.00 35.99 C ANISOU 759 CA LYS C 13 3132 4689 5853 87 -427 994 C ATOM 760 C LYS C 13 40.688 34.458 -5.767 1.00 42.98 C ANISOU 760 C LYS C 13 4427 5583 6321 -214 -555 1218 C ATOM 761 O LYS C 13 41.366 34.822 -6.730 1.00 36.00 O ANISOU 761 O LYS C 13 3682 4462 5534 -318 -578 1332 O ATOM 762 CB LYS C 13 38.732 35.985 -5.206 1.00 37.85 C ANISOU 762 CB LYS C 13 3038 4961 6383 133 -513 1389 C ATOM 763 CG LYS C 13 38.594 36.333 -6.666 1.00 40.48 C ANISOU 763 CG LYS C 13 3441 5062 6877 -74 -713 1883 C ATOM 764 CD LYS C 13 37.251 36.986 -6.924 1.00 46.74 C ANISOU 764 CD LYS C 13 3939 5849 7973 -1 -761 2189 C ATOM 765 CE LYS C 13 37.376 38.235 -7.783 1.00 50.20 C ANISOU 765 CE LYS C 13 4328 5851 8893 7 -841 2353 C ATOM 766 NZ LYS C 13 36.123 38.480 -8.536 1.00 54.54 N1+ ANISOU 766 NZ LYS C 13 4723 6440 9561 -145 -966 2801 N1+ ATOM 767 HA LYS C 13 40.001 35.020 -3.922 1.00 43.19 H ATOM 768 HB2 LYS C 13 38.068 35.307 -5.005 1.00 45.42 H ATOM 769 HB3 LYS C 13 38.538 36.788 -4.696 1.00 45.42 H ATOM 770 HG2 LYS C 13 39.293 36.957 -6.918 1.00 48.57 H ATOM 771 HG3 LYS C 13 38.651 35.525 -7.199 1.00 48.57 H ATOM 772 HD2 LYS C 13 36.675 36.358 -7.387 1.00 56.09 H ATOM 773 HD3 LYS C 13 36.853 37.241 -6.076 1.00 56.09 H ATOM 774 HE2 LYS C 13 37.547 39.002 -7.214 1.00 60.24 H ATOM 775 HE3 LYS C 13 38.099 38.118 -8.419 1.00 60.24 H ATOM 776 HZ1 LYS C 13 36.206 39.212 -9.035 1.00 65.45 H ATOM 777 HZ2 LYS C 13 35.946 37.787 -9.066 1.00 65.45 H ATOM 778 HZ3 LYS C 13 35.445 38.591 -7.970 1.00 65.45 H TER 779 LYS C 13 HETATM 780 N A8E C 14 40.493 33.191 -5.464 1.00 39.01 N HETATM 781 CA A8E C 14 40.914 31.980 -6.214 1.00 51.25 C HETATM 782 C A8E C 14 39.601 31.388 -6.891 1.00 51.89 C HETATM 783 O A8E C 14 38.934 30.541 -6.370 1.00 49.35 O HETATM 784 CB A8E C 14 41.603 30.903 -5.405 1.00 58.00 C HETATM 785 CG A8E C 14 42.898 31.287 -4.703 1.00 61.67 C HETATM 786 CD1 A8E C 14 43.727 32.231 -5.043 1.00 64.90 C HETATM 787 BR A8E C 14 43.218 30.123 -3.189 1.00 61.35 Br HETATM 788 H A8E C 14 39.934 33.034 -4.650 1.00 46.81 H HETATM 789 HA A8E C 14 41.563 32.332 -7.030 1.00 61.50 H HETATM 790 HB A8E C 14 41.821 30.062 -6.080 1.00 69.60 H HETATM 791 HBA A8E C 14 40.895 30.551 -4.640 1.00 69.60 H HETATM 792 HD1 A8E C 14 44.629 32.445 -4.451 1.00 77.88 H HETATM 793 HD1A A8E C 14 43.518 32.902 -5.890 1.00 77.88 H TER 794 A8E C 14 HETATM 795 C ORT D 1 59.901 31.268 10.691 1.00 58.62 C HETATM 796 O ORT D 1 60.362 32.301 11.192 1.00 60.43 O HETATM 797 NA ORT D 1 62.217 30.304 10.702 1.00 59.91 N HETATM 798 CB ORT D 1 60.283 28.751 10.888 1.00 54.00 C HETATM 799 CG ORT D 1 60.957 27.501 10.309 1.00 52.69 C HETATM 800 CD ORT D 1 60.446 27.115 8.874 1.00 51.32 C HETATM 801 NE ORT D 1 58.999 26.926 8.841 1.00 47.37 N HETATM 802 CQ ORT D 1 60.805 30.067 10.283 1.00 57.48 C HETATM 803 H ORT D 1 58.667 26.006 9.123 1.00 56.85 H HETATM 804 HN1 ORT D 1 62.542 31.255 10.508 1.00 71.89 H HETATM 805 HN2 ORT D 1 62.370 30.165 11.704 1.00 71.89 H HETATM 806 HN3 ORT D 1 62.887 29.687 10.237 1.00 71.89 H HETATM 807 HA ORT D 1 60.826 30.036 9.190 1.00 68.98 H HETATM 808 HB2 ORT D 1 60.429 28.755 11.977 1.00 64.80 H HETATM 809 HB3 ORT D 1 59.213 28.677 10.648 1.00 64.80 H HETATM 810 HG2 ORT D 1 62.038 27.676 10.264 1.00 63.23 H HETATM 811 HG3 ORT D 1 60.768 26.657 10.982 1.00 63.23 H HETATM 812 HD2 ORT D 1 60.714 27.917 8.179 1.00 61.59 H HETATM 813 HD3 ORT D 1 60.922 26.175 8.579 1.00 61.59 H HETATM 814 N CIR D 2 58.564 31.105 10.431 1.00 56.02 N HETATM 815 C CIR D 2 56.352 31.993 10.522 1.00 31.72 C HETATM 816 O CIR D 2 56.024 30.892 10.192 1.00 33.54 O HETATM 817 C2 CIR D 2 57.789 32.374 10.281 1.00 49.59 C HETATM 818 C3 CIR D 2 57.829 32.885 8.849 1.00 57.24 C HETATM 819 C4 CIR D 2 58.140 34.380 8.791 1.00 62.50 C HETATM 820 C5 CIR D 2 59.446 34.672 8.049 1.00 66.25 C HETATM 821 N6 CIR D 2 59.399 36.092 7.553 1.00 69.21 N HETATM 822 C7 CIR D 2 60.599 36.830 7.174 1.00 72.02 C HETATM 823 O7 CIR D 2 60.486 37.962 6.786 1.00 72.77 O HETATM 824 N8 CIR D 2 61.929 36.244 7.256 1.00 73.12 N HETATM 825 H CIR D 2 58.189 30.271 10.027 1.00 67.23 H HETATM 826 HN6 CIR D 2 58.511 36.546 7.477 1.00 83.06 H HETATM 827 HN81 CIR D 2 62.041 35.304 7.577 1.00 87.75 H HETATM 828 HN82 CIR D 2 62.729 36.781 6.988 1.00 87.75 H HETATM 829 H2 CIR D 2 57.955 33.103 11.088 1.00 59.51 H HETATM 830 H31 CIR D 2 58.604 32.336 8.294 1.00 68.69 H HETATM 831 H32 CIR D 2 56.853 32.703 8.376 1.00 68.69 H HETATM 832 H41 CIR D 2 58.219 34.768 9.817 1.00 75.00 H HETATM 833 H42 CIR D 2 57.316 34.896 8.277 1.00 75.00 H HETATM 834 H51 CIR D 2 60.298 34.546 8.733 1.00 79.50 H HETATM 835 H52 CIR D 2 59.549 33.985 7.196 1.00 79.50 H ATOM 836 N LEU D 3 55.647 32.697 11.406 1.00 41.90 N ANISOU 836 N LEU D 3 3805 7925 4191 -119 -700 -844 N ATOM 837 CA LEU D 3 54.247 32.376 11.697 1.00 29.88 C ANISOU 837 CA LEU D 3 2670 6010 2674 5 -592 -813 C ATOM 838 C LEU D 3 53.441 32.558 10.439 1.00 27.46 C ANISOU 838 C LEU D 3 2286 5795 2351 41 -339 -842 C ATOM 839 O LEU D 3 53.726 33.461 9.679 1.00 27.78 O ANISOU 839 O LEU D 3 2195 6076 2284 -180 -238 -785 O ATOM 840 CB LEU D 3 53.690 33.270 12.809 1.00 28.20 C ANISOU 840 CB LEU D 3 2936 5464 2315 -211 -578 -659 C ATOM 841 CG LEU D 3 54.270 32.985 14.190 1.00 29.70 C ANISOU 841 CG LEU D 3 3327 5502 2456 -279 -851 -610 C ATOM 842 CD1 LEU D 3 53.847 34.063 15.174 1.00 29.91 C ANISOU 842 CD1 LEU D 3 3827 5276 2263 -521 -803 -525 C ATOM 843 CD2 LEU D 3 53.822 31.609 14.658 1.00 29.51 C ANISOU 843 CD2 LEU D 3 3378 5299 2537 -56 -977 -630 C ATOM 844 H LEU D 3 55.954 33.366 11.851 1.00 50.28 H ATOM 845 HA LEU D 3 54.177 31.451 11.980 1.00 35.86 H ATOM 846 HB2 LEU D 3 53.885 34.195 12.592 1.00 33.84 H ATOM 847 HB3 LEU D 3 52.730 33.141 12.860 1.00 33.84 H ATOM 848 HG LEU D 3 55.239 32.987 14.136 1.00 35.64 H ATOM 849 HD11 LEU D 3 54.226 33.863 16.044 1.00 35.90 H ATOM 850 HD12 LEU D 3 54.173 34.921 14.860 1.00 35.90 H ATOM 851 HD13 LEU D 3 52.879 34.076 15.230 1.00 35.90 H ATOM 852 HD21 LEU D 3 54.196 31.438 15.537 1.00 35.42 H ATOM 853 HD22 LEU D 3 52.853 31.592 14.702 1.00 35.42 H ATOM 854 HD23 LEU D 3 54.137 30.943 14.028 1.00 35.42 H ATOM 855 N ALA D 4 52.420 31.725 10.223 1.00 28.52 N ANISOU 855 N ALA D 4 2524 5727 2584 265 -282 -887 N ATOM 856 CA ALA D 4 51.668 31.795 8.976 1.00 28.12 C ANISOU 856 CA ALA D 4 2401 5754 2529 292 -100 -907 C ATOM 857 C ALA D 4 50.216 31.402 9.209 1.00 25.62 C ANISOU 857 C ALA D 4 2360 5062 2311 402 -40 -821 C ATOM 858 O ALA D 4 49.911 30.551 10.045 1.00 25.97 O ANISOU 858 O ALA D 4 2543 4887 2439 534 -158 -809 O ATOM 859 CB ALA D 4 52.295 30.892 7.904 1.00 28.88 C ANISOU 859 CB ALA D 4 2119 6198 2654 496 -122 -1148 C ATOM 860 H ALA D 4 52.150 31.122 10.773 1.00 34.22 H ATOM 861 HA ALA D 4 51.684 32.708 8.648 1.00 33.74 H ATOM 862 HB1 ALA D 4 51.773 30.960 7.090 1.00 34.65 H ATOM 863 HB2 ALA D 4 53.205 31.182 7.740 1.00 34.65 H ATOM 864 HB3 ALA D 4 52.292 29.976 8.223 1.00 34.65 H ATOM 865 N ASN D 5 49.325 32.020 8.451 1.00 26.43 N ANISOU 865 N ASN D 5 2523 5105 2414 313 111 -730 N ATOM 866 CA ASN D 5 47.908 31.679 8.503 1.00 25.96 C ANISOU 866 CA ASN D 5 2633 4742 2490 408 175 -635 C ATOM 867 C ASN D 5 47.312 31.831 7.112 1.00 25.06 C ANISOU 867 C ASN D 5 2427 4688 2406 375 226 -604 C ATOM 868 O ASN D 5 47.648 32.777 6.391 1.00 26.44 O ANISOU 868 O ASN D 5 2537 5033 2475 170 263 -559 O ATOM 869 CB ASN D 5 47.168 32.568 9.503 1.00 27.89 C ANISOU 869 CB ASN D 5 3130 4723 2745 309 296 -515 C ATOM 870 CG ASN D 5 45.702 32.208 9.634 1.00 31.15 C ANISOU 870 CG ASN D 5 3629 4891 3313 404 399 -416 C ATOM 871 ND2 ASN D 5 44.843 33.106 9.183 1.00 33.58 N ANISOU 871 ND2 ASN D 5 3957 5065 3737 354 509 -341 N ATOM 872 OD1 ASN D 5 45.341 31.145 10.147 1.00 32.01 O ANISOU 872 OD1 ASN D 5 3774 4926 3461 501 343 -386 O ATOM 873 H ASN D 5 49.514 32.646 7.893 1.00 31.72 H ATOM 874 HA ASN D 5 47.808 30.755 8.781 1.00 31.16 H ATOM 875 HB2 ASN D 5 47.580 32.472 10.376 1.00 33.47 H ATOM 876 HB3 ASN D 5 47.225 33.490 9.209 1.00 33.47 H ATOM 877 HD21 ASN D 5 43.998 32.955 9.232 1.00 40.30 H ATOM 878 HD22 ASN D 5 45.129 33.841 8.841 1.00 40.30 H ATOM 879 N PHE D 6 46.451 30.883 6.738 1.00 22.58 N ANISOU 879 N PHE D 6 2127 4230 2221 529 177 -596 N ATOM 880 CA PHE D 6 45.853 30.834 5.412 1.00 22.34 C ANISOU 880 CA PHE D 6 2045 4235 2209 495 166 -567 C ATOM 881 C PHE D 6 44.341 30.716 5.534 1.00 22.96 C ANISOU 881 C PHE D 6 2245 3966 2513 522 170 -372 C ATOM 882 O PHE D 6 43.821 30.068 6.440 1.00 24.13 O ANISOU 882 O PHE D 6 2466 3925 2779 628 155 -317 O ATOM 883 CB PHE D 6 46.393 29.659 4.577 1.00 22.86 C ANISOU 883 CB PHE D 6 1974 4506 2206 667 42 -802 C ATOM 884 CG PHE D 6 47.854 29.744 4.342 1.00 25.62 C ANISOU 884 CG PHE D 6 2108 5263 2364 660 68 -1021 C ATOM 885 CD1 PHE D 6 48.757 29.086 5.175 1.00 27.04 C ANISOU 885 CD1 PHE D 6 2224 5443 2605 823 -54 -1161 C ATOM 886 CD2 PHE D 6 48.346 30.531 3.319 1.00 26.56 C ANISOU 886 CD2 PHE D 6 2120 5688 2283 410 146 -1001 C ATOM 887 CE1 PHE D 6 50.120 29.180 4.961 1.00 27.97 C ANISOU 887 CE1 PHE D 6 2144 5873 2611 780 -73 -1309 C ATOM 888 CE2 PHE D 6 49.728 30.629 3.110 1.00 28.39 C ANISOU 888 CE2 PHE D 6 2147 6246 2393 339 131 -1127 C ATOM 889 CZ PHE D 6 50.598 29.960 3.950 1.00 28.94 C ANISOU 889 CZ PHE D 6 2132 6322 2542 541 34 -1290 C ATOM 890 H PHE D 6 46.193 30.243 7.252 1.00 27.09 H ATOM 891 HA PHE D 6 46.056 31.657 4.941 1.00 26.81 H ATOM 892 HB2 PHE D 6 46.212 28.829 5.046 1.00 27.43 H ATOM 893 HB3 PHE D 6 45.950 29.655 3.714 1.00 27.43 H ATOM 894 HD1 PHE D 6 48.438 28.558 5.871 1.00 32.44 H ATOM 895 HD2 PHE D 6 47.758 30.987 2.760 1.00 31.87 H ATOM 896 HE1 PHE D 6 50.710 28.731 5.522 1.00 33.57 H ATOM 897 HE2 PHE D 6 50.059 31.153 2.417 1.00 34.07 H ATOM 898 HZ PHE D 6 51.515 30.019 3.806 1.00 34.73 H ATOM 899 N LEU D 7 43.642 31.341 4.584 1.00 21.68 N ANISOU 899 N LEU D 7 2084 3747 2408 391 167 -240 N ATOM 900 CA LEU D 7 42.186 31.310 4.483 1.00 21.24 C ANISOU 900 CA LEU D 7 2066 3388 2617 405 143 -41 C ATOM 901 C LEU D 7 41.834 31.058 3.028 1.00 21.71 C ANISOU 901 C LEU D 7 2111 3482 2657 317 -19 9 C ATOM 902 O LEU D 7 42.217 31.853 2.168 1.00 24.08 O ANISOU 902 O LEU D 7 2406 3938 2805 115 -45 35 O ATOM 903 CB LEU D 7 41.543 32.627 4.904 1.00 22.58 C ANISOU 903 CB LEU D 7 2263 3357 2958 322 251 95 C ATOM 904 CG LEU D 7 40.017 32.724 4.797 1.00 26.24 C ANISOU 904 CG LEU D 7 2673 3530 3766 362 237 288 C ATOM 905 CD1 LEU D 7 39.380 32.269 6.049 1.00 28.17 C ANISOU 905 CD1 LEU D 7 2887 3685 4129 502 408 296 C ATOM 906 CD2 LEU D 7 39.571 34.163 4.521 1.00 30.55 C ANISOU 906 CD2 LEU D 7 3220 3882 4506 267 207 385 C ATOM 907 H LEU D 7 44.009 31.809 3.962 1.00 26.02 H ATOM 908 HA LEU D 7 41.828 30.592 5.027 1.00 25.49 H ATOM 909 HB2 LEU D 7 41.776 32.794 5.831 1.00 27.09 H ATOM 910 HB3 LEU D 7 41.913 33.333 4.350 1.00 27.09 H ATOM 911 HG LEU D 7 39.706 32.160 4.072 1.00 31.48 H ATOM 912 HD11 LEU D 7 38.417 32.340 5.956 1.00 33.80 H ATOM 913 HD12 LEU D 7 39.630 31.346 6.212 1.00 33.80 H ATOM 914 HD13 LEU D 7 39.684 32.830 6.779 1.00 33.80 H ATOM 915 HD21 LEU D 7 38.603 34.187 4.460 1.00 36.66 H ATOM 916 HD22 LEU D 7 39.872 34.731 5.247 1.00 36.66 H ATOM 917 HD23 LEU D 7 39.963 34.459 3.684 1.00 36.66 H ATOM 918 N VAL D 8 41.084 29.982 2.770 1.00 22.27 N ANISOU 918 N VAL D 8 2200 3402 2858 419 -161 53 N ATOM 919 CA VAL D 8 40.568 29.666 1.438 1.00 22.68 C ANISOU 919 CA VAL D 8 2292 3426 2899 325 -360 116 C ATOM 920 C VAL D 8 39.106 29.247 1.544 1.00 22.23 C ANISOU 920 C VAL D 8 2233 3023 3189 343 -490 373 C ATOM 921 O VAL D 8 38.798 28.111 1.915 1.00 22.94 O ANISOU 921 O VAL D 8 2350 2996 3370 464 -606 373 O ATOM 922 CB VAL D 8 41.383 28.559 0.752 1.00 27.50 C ANISOU 922 CB VAL D 8 2937 4257 3255 436 -481 -179 C ATOM 923 CG1 VAL D 8 40.880 28.325 -0.657 1.00 29.50 C ANISOU 923 CG1 VAL D 8 3286 4508 3413 301 -681 -145 C ATOM 924 CG2 VAL D 8 42.896 28.875 0.773 1.00 31.30 C ANISOU 924 CG2 VAL D 8 3316 5152 3424 448 -318 -456 C ATOM 925 H VAL D 8 40.856 29.408 3.368 1.00 26.72 H ATOM 926 HA VAL D 8 40.614 30.461 0.884 1.00 27.22 H ATOM 927 HB VAL D 8 41.253 27.734 1.245 1.00 33.00 H ATOM 928 HG11 VAL D 8 41.409 27.623 -1.068 1.00 35.40 H ATOM 929 HG12 VAL D 8 39.948 28.058 -0.618 1.00 35.40 H ATOM 930 HG13 VAL D 8 40.968 29.147 -1.164 1.00 35.40 H ATOM 931 HG21 VAL D 8 43.374 28.155 0.331 1.00 37.56 H ATOM 932 HG22 VAL D 8 43.051 29.710 0.305 1.00 37.56 H ATOM 933 HG23 VAL D 8 43.189 28.951 1.694 1.00 37.56 H TER 934 VAL D 8 HETATM 935 C ORT D 9 37.103 27.562 4.918 1.00 26.30 C ANISOU 935 C ORT D 9 2590 3139 4264 530 -329 780 C HETATM 936 O ORT D 9 36.755 27.333 6.073 1.00 27.50 O ANISOU 936 O ORT D 9 2696 3302 4452 515 -191 880 O HETATM 937 NA ORT D 9 34.835 28.386 4.398 1.00 26.24 N ANISOU 937 NA ORT D 9 2265 2880 4826 410 -304 1210 N HETATM 938 CB ORT D 9 36.742 29.776 3.797 1.00 23.19 C ANISOU 938 CB ORT D 9 2080 2706 4024 440 -188 815 C HETATM 939 CG ORT D 9 36.125 30.470 2.573 1.00 24.36 C ANISOU 939 CG ORT D 9 2193 2712 4350 315 -374 971 C HETATM 940 CD ORT D 9 36.719 29.945 1.285 1.00 24.39 C ANISOU 940 CD ORT D 9 2363 2816 4088 208 -629 895 C HETATM 941 NE ORT D 9 38.175 30.198 1.232 1.00 22.98 N ANISOU 941 NE ORT D 9 2276 2936 3519 206 -512 622 N HETATM 942 CQ ORT D 9 36.232 28.355 3.942 1.00 24.68 C ANISOU 942 CQ ORT D 9 2278 2816 4282 451 -369 933 C HETATM 943 H ORT D 9 38.440 31.133 0.930 1.00 27.57 H HETATM 944 HN1 ORT D 9 34.497 27.478 4.726 1.00 31.49 H HETATM 945 HN2 ORT D 9 34.679 29.031 5.176 1.00 31.49 H HETATM 946 HN3 ORT D 9 34.178 28.675 3.670 1.00 31.49 H HETATM 947 HA ORT D 9 36.224 27.812 2.992 1.00 29.61 H HETATM 948 HB2 ORT D 9 36.509 30.361 4.698 1.00 27.82 H HETATM 949 HB3 ORT D 9 37.828 29.732 3.634 1.00 27.82 H HETATM 950 HG2 ORT D 9 36.317 31.548 2.637 1.00 29.23 H HETATM 951 HG3 ORT D 9 35.043 30.300 2.569 1.00 29.23 H HETATM 952 HD2 ORT D 9 36.246 30.464 0.445 1.00 29.27 H HETATM 953 HD3 ORT D 9 36.540 28.868 1.225 1.00 29.27 H ATOM 954 N ILE D 10 38.276 27.100 4.407 1.00 27.28 N ANISOU 954 N ILE D 10 2850 3372 4144 605 -477 527 N ATOM 955 CA ILE D 10 39.237 26.378 5.204 1.00 29.70 C ANISOU 955 CA ILE D 10 3242 3754 4288 707 -525 359 C ATOM 956 C ILE D 10 40.157 27.460 5.757 1.00 27.96 C ANISOU 956 C ILE D 10 2996 3739 3887 713 -245 202 C ATOM 957 O ILE D 10 40.486 28.410 5.054 1.00 28.00 O ANISOU 957 O ILE D 10 2963 3860 3816 665 -146 126 O ATOM 958 CB ILE D 10 39.920 25.300 4.347 1.00 33.82 C ANISOU 958 CB ILE D 10 3864 4265 4722 837 -852 131 C ATOM 959 CG1 ILE D 10 39.128 23.989 4.511 1.00 36.34 C ANISOU 959 CG1 ILE D 10 4281 4295 5233 825 -1204 316 C ATOM 960 CG2 ILE D 10 41.444 25.149 4.630 1.00 35.97 C ANISOU 960 CG2 ILE D 10 4135 4743 4788 997 -843 -205 C ATOM 961 CD1 ILE D 10 39.170 23.146 3.315 1.00 38.58 C ANISOU 961 CD1 ILE D 10 4694 4485 5480 861 -1460 144 C ATOM 962 H ILE D 10 38.548 27.263 3.608 1.00 32.74 H ATOM 963 HA ILE D 10 38.786 25.945 5.946 1.00 35.64 H ATOM 964 HB ILE D 10 39.830 25.573 3.420 1.00 40.59 H ATOM 965 HG12 ILE D 10 39.506 23.483 5.248 1.00 43.61 H ATOM 966 HG13 ILE D 10 38.200 24.202 4.696 1.00 43.61 H ATOM 967 HG21 ILE D 10 41.805 24.455 4.056 1.00 43.16 H ATOM 968 HG22 ILE D 10 41.884 25.993 4.446 1.00 43.16 H ATOM 969 HG23 ILE D 10 41.569 24.907 5.561 1.00 43.16 H ATOM 970 HD11 ILE D 10 38.656 22.340 3.480 1.00 46.30 H ATOM 971 HD12 ILE D 10 38.787 23.636 2.571 1.00 46.30 H ATOM 972 HD13 ILE D 10 40.092 22.917 3.122 1.00 46.30 H ATOM 973 N LYS D 11 40.505 27.382 7.036 1.00 26.63 N ANISOU 973 N LYS D 11 2872 3603 3643 718 -148 198 N ATOM 974 CA LYS D 11 41.447 28.344 7.577 1.00 27.85 C ANISOU 974 CA LYS D 11 3041 3924 3618 707 50 47 C ATOM 975 C LYS D 11 42.338 27.699 8.626 1.00 28.34 C ANISOU 975 C LYS D 11 3195 4031 3541 741 -50 -34 C ATOM 976 O LYS D 11 42.017 26.681 9.251 1.00 32.18 O ANISOU 976 O LYS D 11 3758 4396 4072 727 -223 89 O ATOM 977 CB LYS D 11 40.716 29.576 8.151 1.00 32.57 C ANISOU 977 CB LYS D 11 3616 4478 4279 629 346 142 C ATOM 978 CG LYS D 11 40.166 29.440 9.566 1.00 40.62 C ANISOU 978 CG LYS D 11 4685 5479 5271 586 518 235 C ATOM 979 CD LYS D 11 39.668 30.798 10.105 1.00 46.86 C ANISOU 979 CD LYS D 11 5452 6257 6097 583 834 185 C ATOM 980 CE LYS D 11 38.147 30.873 10.188 1.00 51.20 C ANISOU 980 CE LYS D 11 5820 6729 6907 598 1001 340 C ATOM 981 NZ LYS D 11 37.676 32.222 10.645 1.00 53.20 N1+ ANISOU 981 NZ LYS D 11 6022 6938 7255 678 1284 204 N1+ ATOM 982 H LYS D 11 40.218 26.797 7.597 1.00 31.95 H ATOM 983 HA LYS D 11 42.020 28.653 6.857 1.00 33.42 H ATOM 984 HB2 LYS D 11 41.335 30.322 8.154 1.00 39.08 H ATOM 985 HB3 LYS D 11 39.967 29.782 7.571 1.00 39.08 H ATOM 986 HG2 LYS D 11 39.419 28.821 9.562 1.00 48.75 H ATOM 987 HG3 LYS D 11 40.867 29.117 10.153 1.00 48.75 H ATOM 988 HD2 LYS D 11 40.025 30.934 10.997 1.00 56.24 H ATOM 989 HD3 LYS D 11 39.972 31.504 9.514 1.00 56.24 H ATOM 990 HE2 LYS D 11 37.771 30.703 9.309 1.00 61.45 H ATOM 991 HE3 LYS D 11 37.829 30.210 10.821 1.00 61.45 H ATOM 992 HZ1 LYS D 11 36.787 32.237 10.684 1.00 63.84 H ATOM 993 HZ2 LYS D 11 38.004 32.400 11.453 1.00 63.84 H ATOM 994 HZ3 LYS D 11 37.951 32.849 10.076 1.00 63.84 H TER 995 LYS D 11 HETATM 996 N HAO D 12 43.553 28.287 8.784 1.00 24.53 N ANISOU 996 N HAO D 12 2704 3723 2892 751 -3 -217 N HETATM 997 C HAO D 12 52.402 28.080 12.042 1.00 31.22 C ANISOU 997 C HAO D 12 3026 5472 3363 860 -1040 -1000 C HETATM 998 O HAO D 12 52.388 29.297 11.970 1.00 30.52 O ANISOU 998 O HAO D 12 2981 5516 3098 641 -791 -929 O HETATM 999 CM HAO D 12 44.299 24.849 12.236 1.00 28.02 C ANISOU 999 CM HAO D 12 3602 3779 3263 636 -887 96 C HETATM 1000 OM HAO D 12 44.750 25.931 11.443 1.00 26.06 O ANISOU 1000 OM HAO D 12 3198 3721 2982 740 -615 -123 O HETATM 1001 C01 HAO D 12 51.133 27.285 12.142 1.00 28.95 C ANISOU 1001 C01 HAO D 12 2982 4879 3138 928 -1070 -893 C HETATM 1002 N01 HAO D 12 49.940 27.988 11.863 1.00 26.60 N ANISOU 1002 N01 HAO D 12 2842 4534 2729 798 -733 -769 N HETATM 1003 O01 HAO D 12 51.215 26.100 12.404 1.00 29.85 O ANISOU 1003 O01 HAO D 12 3115 4797 3429 1087 -1418 -913 O HETATM 1004 C02 HAO D 12 48.643 27.435 11.825 1.00 26.57 C ANISOU 1004 C02 HAO D 12 2999 4310 2787 816 -696 -636 C HETATM 1005 N02 HAO D 12 44.391 27.809 9.710 1.00 24.56 N ANISOU 1005 N02 HAO D 12 2780 3753 2799 768 -133 -274 N HETATM 1006 C03 HAO D 12 48.208 26.437 12.655 1.00 27.93 C ANISOU 1006 C03 HAO D 12 3362 4241 3010 792 -944 -481 C HETATM 1007 C04 HAO D 12 46.928 25.934 12.534 1.00 27.92 C ANISOU 1007 C04 HAO D 12 3465 4073 3072 761 -906 -315 C HETATM 1008 C05 HAO D 12 46.054 26.448 11.572 1.00 26.21 C ANISOU 1008 C05 HAO D 12 3156 3902 2899 787 -624 -319 C HETATM 1009 C06 HAO D 12 46.532 27.467 10.729 1.00 25.07 C ANISOU 1009 C06 HAO D 12 2850 3970 2706 819 -407 -483 C HETATM 1010 O06 HAO D 12 46.153 28.711 8.701 1.00 23.44 O ANISOU 1010 O06 HAO D 12 2424 3982 2502 805 -98 -579 O HETATM 1011 C07 HAO D 12 47.814 27.929 10.845 1.00 25.93 C ANISOU 1011 C07 HAO D 12 2858 4272 2723 819 -440 -632 C HETATM 1012 C08 HAO D 12 45.705 28.078 9.628 1.00 24.09 C ANISOU 1012 C08 HAO D 12 2644 3878 2632 808 -187 -464 C HETATM 1013 H HAO D 12 43.885 29.042 8.388 1.00 29.43 H HETATM 1014 HN1 HAO D 12 50.021 28.870 11.645 1.00 31.91 H HETATM 1015 HN2 HAO D 12 44.067 27.320 10.410 1.00 29.47 H HETATM 1016 HM1 HAO D 12 43.640 24.325 11.731 1.00 33.62 H HETATM 1017 HM2 HAO D 12 43.885 25.194 13.054 1.00 33.62 H HETATM 1018 HM3 HAO D 12 45.062 24.276 12.472 1.00 33.62 H HETATM 1019 H03 HAO D 12 48.806 26.080 13.339 1.00 33.52 H HETATM 1020 H04 HAO D 12 46.622 25.234 13.142 1.00 33.51 H HETATM 1021 H07 HAO D 12 48.128 28.643 10.256 1.00 31.12 H ATOM 1022 N LYS D 13 53.552 27.345 11.965 1.00 34.23 N ANISOU 1022 N LYS D 13 3110 5963 3933 1064 -1334 -1183 N ATOM 1023 CA LYS D 13 54.840 27.986 11.863 1.00 38.74 C ANISOU 1023 CA LYS D 13 3405 6825 4491 972 -1289 -1245 C ATOM 1024 C LYS D 13 55.581 27.259 10.774 1.00 48.70 C ANISOU 1024 C LYS D 13 4359 8220 5923 1216 -1209 -1508 C ATOM 1025 O LYS D 13 55.837 26.063 10.879 1.00 46.12 O ANISOU 1025 O LYS D 13 4044 7645 5833 1444 -1441 -1622 O ATOM 1026 CB LYS D 13 55.605 27.930 13.190 1.00 38.53 C ANISOU 1026 CB LYS D 13 3490 6640 4510 844 -1633 -1101 C ATOM 1027 CG LYS D 13 56.882 28.769 13.231 1.00 39.68 C ANISOU 1027 CG LYS D 13 3369 7078 4630 672 -1626 -1090 C ATOM 1028 CD LYS D 13 57.331 29.007 14.660 1.00 40.55 C ANISOU 1028 CD LYS D 13 3727 7002 4678 437 -1976 -884 C ATOM 1029 CE LYS D 13 58.755 29.546 14.731 1.00 43.63 C ANISOU 1029 CE LYS D 13 3806 7617 5156 294 -2082 -846 C ATOM 1030 NZ LYS D 13 59.237 29.771 16.123 1.00 45.50 N1+ ANISOU 1030 NZ LYS D 13 4317 7652 5320 27 -2475 -626 N1+ ATOM 1031 HA LYS D 13 54.728 28.914 11.603 1.00 46.49 H ATOM 1032 HB2 LYS D 13 55.022 28.249 13.897 1.00 46.23 H ATOM 1033 HB3 LYS D 13 55.854 27.009 13.365 1.00 46.23 H ATOM 1034 HG2 LYS D 13 57.590 28.299 12.762 1.00 47.62 H ATOM 1035 HG3 LYS D 13 56.715 29.629 12.815 1.00 47.62 H ATOM 1036 HD2 LYS D 13 56.741 29.656 15.075 1.00 48.66 H ATOM 1037 HD3 LYS D 13 57.300 28.169 15.147 1.00 48.66 H ATOM 1038 HE2 LYS D 13 59.353 28.909 14.309 1.00 52.36 H ATOM 1039 HE3 LYS D 13 58.793 30.394 14.262 1.00 52.36 H ATOM 1040 HZ1 LYS D 13 60.070 30.084 16.110 1.00 54.60 H ATOM 1041 HZ2 LYS D 13 58.712 30.360 16.535 1.00 54.60 H ATOM 1042 HZ3 LYS D 13 59.223 29.005 16.577 1.00 54.60 H TER 1043 LYS D 13 HETATM 1044 N A8E D 14 55.898 27.990 9.721 1.00 29.53 N HETATM 1045 CA A8E D 14 56.609 27.564 8.473 1.00 38.63 C HETATM 1046 C A8E D 14 58.148 27.931 8.455 1.00 43.05 C HETATM 1047 O A8E D 14 58.519 29.018 8.119 1.00 42.49 O HETATM 1048 CB A8E D 14 55.960 28.134 7.240 1.00 39.75 C HETATM 1049 CG A8E D 14 54.569 27.593 6.961 1.00 42.22 C HETATM 1050 CD1 A8E D 14 53.943 26.664 7.611 1.00 40.40 C HETATM 1051 BR A8E D 14 53.814 28.408 5.390 1.00 48.30 Br HETATM 1052 H A8E D 14 55.616 28.948 9.763 1.00 35.43 H HETATM 1053 HA A8E D 14 56.551 26.465 8.457 1.00 46.36 H HETATM 1054 HB A8E D 14 56.601 27.911 6.374 1.00 47.70 H HETATM 1055 HBA A8E D 14 55.893 29.226 7.354 1.00 47.70 H HETATM 1056 HD1 A8E D 14 54.355 26.238 8.538 1.00 48.48 H HETATM 1057 HD1A A8E D 14 52.913 26.379 7.351 1.00 48.48 H TER 1058 A8E D 14 HETATM 1059 O HOH S 1 51.748 41.111 -1.886 1.00 46.79 O HETATM 1060 O HOH S 2 53.134 38.020 -10.061 1.00 28.15 O HETATM 1061 O HOH S 3 49.416 17.371 5.321 1.00 27.93 O HETATM 1062 O HOH S 4 49.810 43.216 -12.656 1.00 41.59 O HETATM 1063 O HOH S 5 42.068 36.661 -8.701 1.00 29.38 O HETATM 1064 O HOH S 6 61.393 32.952 -2.197 1.00 25.23 O HETATM 1065 O HOH S 7 33.536 25.371 -4.337 1.00 50.84 O HETATM 1066 O HOH S 8 49.902 46.607 -9.726 1.00 75.67 O HETATM 1067 O HOH S 9 41.222 33.251 -10.136 1.00 28.60 O HETATM 1068 O HOH S 10 65.042 28.205 9.821 1.00 41.76 O HETATM 1069 O HOH S 11 53.712 24.467 13.101 1.00 45.23 O HETATM 1070 O HOH S 12 58.175 37.499 -9.293 1.00 38.61 O HETATM 1071 O HOH S 14 56.181 40.901 -7.502 1.00 39.90 O HETATM 1072 O HOH S 16 55.235 39.780 -9.406 1.00 39.27 O HETATM 1073 O HOH S 17 65.363 31.656 6.591 1.00 42.41 O HETATM 1074 O HOH S 18 50.052 40.819 -2.905 1.00 51.07 O HETATM 1075 O HOH S 19 66.633 29.830 8.034 1.00 52.93 O HETATM 1076 O HOH S 20 53.449 23.282 -3.684 1.00 52.07 O HETATM 1077 O HOH S 21 59.160 32.853 -8.743 1.00 61.65 O HETATM 1078 O HOH S 22 42.327 18.689 -3.111 1.00 93.66 O HETATM 1079 O HOH S 23 55.353 43.338 8.246 1.00 48.68 O HETATM 1080 O HOH S 24 59.160 39.356 -8.580 1.00 41.93 O HETATM 1081 O HOH S 26 44.146 24.464 8.082 1.00 43.84 O HETATM 1082 O HOH S 27 40.461 38.370 -9.546 1.00 66.01 O HETATM 1083 O HOH S 28 45.733 23.044 9.693 1.00 47.90 O HETATM 1084 O HOH S 29 57.085 41.561 6.326 1.00 45.24 O HETATM 1085 O HOH S 33 42.374 28.012 12.185 1.00 33.37 O HETATM 1086 O HOH S 34 64.940 31.137 9.249 1.00 36.45 O HETATM 1087 O HOH S 35 48.604 43.802 -10.681 1.00 37.35 O HETATM 1088 O HOH S 36 60.023 27.101 16.548 1.00 30.69 O HETATM 1089 O HOH S 37 54.729 32.958 -11.051 1.00 41.06 O HETATM 1090 O HOH S 38 52.884 43.495 5.332 1.00 46.12 O HETATM 1091 O HOH S 39 55.595 41.631 4.281 1.00 31.58 O HETATM 1092 O HOH S 40 42.867 41.546 -6.140 1.00 37.27 O HETATM 1093 O HOH S 41 57.454 35.232 12.805 1.00 82.75 O HETATM 1094 O HOH S 42 51.017 45.506 -12.223 1.00 39.77 O HETATM 1095 O HOH S 43 63.068 29.192 0.000 1.00 41.50 O HETATM 1096 O HOH S 44 47.873 16.155 7.820 1.00 44.51 O HETATM 1097 O HOH S 45 67.361 33.086 9.267 1.00 43.15 O HETATM 1098 CL CL E 1 63.422 31.834 -4.515 1.00 71.82 Cl END