USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 HIS : no HD1:sc= -1.28 K(o=-0.8,f=-1.9) USER MOD Set 1.2: A 49 ASN : amide:sc= 0.48 X(o=-0.8,f=-1.2) USER MOD Set 2.1: A 18 ASN : amide:sc= -3.43! C(o=-4.1!,f=-5.5!) USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= -0.671 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0961 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 22:sc= 0.585 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 16 MET CE :methyl -139:sc= 0 (180deg=-0.0922) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 24:sc= -3.55! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.342 USER MOD Single : A 36 ASN : amide:sc=-0.000437 X(o=-0.00044,f=-0.053) USER MOD Single : A 38 SER OG : rot 150:sc= -0.193 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0.915 (180deg=0.849) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc=-0.000196 X(o=-0.0002,f=0) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.373 K(o=-0.37,f=-3.1!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -156:sc= -1.1 (180deg=-1.42) USER MOD Single : A 94 HIS : no HE2:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 100 THR OG1 : rot -64:sc= 1.23 USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-3.6!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc=-0.00214 X(o=-0.0021,f=-0.049) USER MOD Single : A 109 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.965 0.121 -15.787 1.00 0.00 N ATOM 2 CA GLY A 1 -36.679 -0.331 -16.289 1.00 0.00 C ATOM 3 C GLY A 1 -35.873 -1.023 -15.188 1.00 0.00 C ATOM 4 O GLY A 1 -36.160 -0.854 -14.004 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.721 -0.468 -16.190 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.980 0.042 -14.750 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.115 1.113 -16.061 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.831 -1.019 -17.121 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -36.117 0.519 -16.677 1.00 0.00 H new ATOM 8 N SER A 2 -34.881 -1.789 -15.618 1.00 0.00 N ATOM 9 CA SER A 2 -34.032 -2.508 -14.684 1.00 0.00 C ATOM 10 C SER A 2 -32.988 -3.326 -15.447 1.00 0.00 C ATOM 11 O SER A 2 -33.258 -4.452 -15.860 1.00 0.00 O ATOM 12 CB SER A 2 -34.860 -3.420 -13.776 1.00 0.00 C ATOM 13 OG SER A 2 -34.038 -4.222 -12.932 1.00 0.00 O ATOM 0 H SER A 2 -34.646 -1.927 -16.601 1.00 0.00 H new ATOM 0 HA SER A 2 -33.523 -1.778 -14.054 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.526 -2.813 -13.163 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.490 -4.065 -14.388 1.00 0.00 H new ATOM 0 HG SER A 2 -34.604 -4.789 -12.367 1.00 0.00 H new ATOM 19 N SER A 3 -31.818 -2.726 -15.612 1.00 0.00 N ATOM 20 CA SER A 3 -30.732 -3.384 -16.318 1.00 0.00 C ATOM 21 C SER A 3 -29.410 -2.672 -16.027 1.00 0.00 C ATOM 22 O SER A 3 -29.400 -1.493 -15.675 1.00 0.00 O ATOM 23 CB SER A 3 -30.996 -3.417 -17.825 1.00 0.00 C ATOM 24 OG SER A 3 -30.883 -2.126 -18.415 1.00 0.00 O ATOM 0 H SER A 3 -31.599 -1.791 -15.269 1.00 0.00 H new ATOM 0 HA SER A 3 -30.668 -4.413 -15.964 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.290 -4.097 -18.302 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.994 -3.814 -18.010 1.00 0.00 H new ATOM 0 HG SER A 3 -31.057 -2.190 -19.377 1.00 0.00 H new ATOM 30 N GLY A 4 -28.326 -3.418 -16.182 1.00 0.00 N ATOM 31 CA GLY A 4 -27.001 -2.873 -15.940 1.00 0.00 C ATOM 32 C GLY A 4 -26.155 -3.838 -15.107 1.00 0.00 C ATOM 33 O GLY A 4 -26.192 -3.799 -13.878 1.00 0.00 O ATOM 0 H GLY A 4 -28.338 -4.396 -16.472 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.505 -2.677 -16.891 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.086 -1.918 -15.422 1.00 0.00 H new ATOM 37 N SER A 5 -25.413 -4.681 -15.810 1.00 0.00 N ATOM 38 CA SER A 5 -24.559 -5.654 -15.151 1.00 0.00 C ATOM 39 C SER A 5 -23.178 -5.669 -15.809 1.00 0.00 C ATOM 40 O SER A 5 -23.055 -5.968 -16.996 1.00 0.00 O ATOM 41 CB SER A 5 -25.182 -7.051 -15.192 1.00 0.00 C ATOM 42 OG SER A 5 -25.211 -7.584 -16.514 1.00 0.00 O ATOM 0 H SER A 5 -25.386 -4.710 -16.829 1.00 0.00 H new ATOM 0 HA SER A 5 -24.453 -5.364 -14.106 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.616 -7.720 -14.544 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.197 -7.007 -14.796 1.00 0.00 H new ATOM 0 HG SER A 5 -24.543 -7.126 -17.066 1.00 0.00 H new ATOM 48 N SER A 6 -22.173 -5.344 -15.009 1.00 0.00 N ATOM 49 CA SER A 6 -20.805 -5.316 -15.499 1.00 0.00 C ATOM 50 C SER A 6 -19.833 -5.599 -14.352 1.00 0.00 C ATOM 51 O SER A 6 -19.941 -5.004 -13.281 1.00 0.00 O ATOM 52 CB SER A 6 -20.481 -3.971 -16.150 1.00 0.00 C ATOM 53 OG SER A 6 -20.423 -2.915 -15.195 1.00 0.00 O ATOM 0 H SER A 6 -22.279 -5.098 -14.025 1.00 0.00 H new ATOM 0 HA SER A 6 -20.697 -6.091 -16.258 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.526 -4.041 -16.671 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.237 -3.740 -16.900 1.00 0.00 H new ATOM 0 HG SER A 6 -20.212 -2.073 -15.650 1.00 0.00 H new ATOM 59 N GLY A 7 -18.905 -6.507 -14.615 1.00 0.00 N ATOM 60 CA GLY A 7 -17.914 -6.876 -13.619 1.00 0.00 C ATOM 61 C GLY A 7 -18.548 -7.696 -12.493 1.00 0.00 C ATOM 62 O GLY A 7 -19.741 -7.991 -12.531 1.00 0.00 O ATOM 0 H GLY A 7 -18.819 -6.999 -15.505 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.117 -7.452 -14.089 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.456 -5.977 -13.206 1.00 0.00 H new ATOM 66 N MET A 8 -17.721 -8.040 -11.517 1.00 0.00 N ATOM 67 CA MET A 8 -18.185 -8.820 -10.382 1.00 0.00 C ATOM 68 C MET A 8 -17.106 -8.912 -9.302 1.00 0.00 C ATOM 69 O MET A 8 -15.950 -9.211 -9.598 1.00 0.00 O ATOM 70 CB MET A 8 -18.562 -10.227 -10.849 1.00 0.00 C ATOM 71 CG MET A 8 -19.504 -10.903 -9.851 1.00 0.00 C ATOM 72 SD MET A 8 -20.564 -12.061 -10.699 1.00 0.00 S ATOM 73 CE MET A 8 -19.891 -13.599 -10.092 1.00 0.00 C ATOM 0 H MET A 8 -16.732 -7.793 -11.489 1.00 0.00 H new ATOM 0 HA MET A 8 -19.057 -8.323 -9.956 1.00 0.00 H new ATOM 0 HB2 MET A 8 -19.041 -10.173 -11.827 1.00 0.00 H new ATOM 0 HB3 MET A 8 -17.661 -10.828 -10.968 1.00 0.00 H new ATOM 0 HG2 MET A 8 -18.926 -11.420 -9.086 1.00 0.00 H new ATOM 0 HG3 MET A 8 -20.107 -10.152 -9.341 1.00 0.00 H new ATOM 0 HE1 MET A 8 -20.442 -14.434 -10.526 1.00 0.00 H new ATOM 0 HE2 MET A 8 -18.840 -13.673 -10.373 1.00 0.00 H new ATOM 0 HE3 MET A 8 -19.979 -13.631 -9.006 1.00 0.00 H new ATOM 83 N SER A 9 -17.521 -8.650 -8.071 1.00 0.00 N ATOM 84 CA SER A 9 -16.604 -8.700 -6.945 1.00 0.00 C ATOM 85 C SER A 9 -17.389 -8.794 -5.635 1.00 0.00 C ATOM 86 O SER A 9 -17.951 -7.803 -5.172 1.00 0.00 O ATOM 87 CB SER A 9 -15.686 -7.476 -6.927 1.00 0.00 C ATOM 88 OG SER A 9 -14.313 -7.836 -7.048 1.00 0.00 O ATOM 0 H SER A 9 -18.480 -8.402 -7.829 1.00 0.00 H new ATOM 0 HA SER A 9 -15.980 -9.587 -7.052 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.958 -6.807 -7.743 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.836 -6.924 -5.999 1.00 0.00 H new ATOM 0 HG SER A 9 -13.760 -7.027 -7.034 1.00 0.00 H new ATOM 94 N SER A 10 -17.402 -9.995 -5.075 1.00 0.00 N ATOM 95 CA SER A 10 -18.109 -10.231 -3.828 1.00 0.00 C ATOM 96 C SER A 10 -17.107 -10.460 -2.694 1.00 0.00 C ATOM 97 O SER A 10 -16.576 -11.559 -2.542 1.00 0.00 O ATOM 98 CB SER A 10 -19.055 -11.426 -3.949 1.00 0.00 C ATOM 99 OG SER A 10 -20.357 -11.129 -3.451 1.00 0.00 O ATOM 0 H SER A 10 -16.934 -10.815 -5.462 1.00 0.00 H new ATOM 0 HA SER A 10 -18.709 -9.349 -3.603 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.127 -11.727 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.642 -12.273 -3.401 1.00 0.00 H new ATOM 0 HG SER A 10 -20.932 -11.917 -3.548 1.00 0.00 H new ATOM 105 N HIS A 11 -16.878 -9.404 -1.927 1.00 0.00 N ATOM 106 CA HIS A 11 -15.949 -9.476 -0.812 1.00 0.00 C ATOM 107 C HIS A 11 -14.558 -9.852 -1.326 1.00 0.00 C ATOM 108 O HIS A 11 -14.411 -10.287 -2.467 1.00 0.00 O ATOM 109 CB HIS A 11 -16.464 -10.436 0.262 1.00 0.00 C ATOM 110 CG HIS A 11 -16.926 -9.752 1.527 1.00 0.00 C ATOM 111 ND1 HIS A 11 -16.349 -9.990 2.762 1.00 0.00 N ATOM 112 CD2 HIS A 11 -17.914 -8.835 1.734 1.00 0.00 C ATOM 113 CE1 HIS A 11 -16.970 -9.245 3.664 1.00 0.00 C ATOM 114 NE2 HIS A 11 -17.940 -8.530 3.026 1.00 0.00 N ATOM 0 H HIS A 11 -17.320 -8.494 -2.056 1.00 0.00 H new ATOM 0 HA HIS A 11 -15.870 -8.499 -0.336 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -17.291 -11.015 -0.149 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.673 -11.144 0.512 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -18.565 -8.426 0.975 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -16.747 -9.210 4.720 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -18.580 -7.870 3.468 1.00 0.00 H new ATOM 122 N VAL A 12 -13.573 -9.672 -0.459 1.00 0.00 N ATOM 123 CA VAL A 12 -12.199 -9.987 -0.811 1.00 0.00 C ATOM 124 C VAL A 12 -11.920 -11.457 -0.492 1.00 0.00 C ATOM 125 O VAL A 12 -12.313 -11.953 0.563 1.00 0.00 O ATOM 126 CB VAL A 12 -11.243 -9.028 -0.097 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.787 -9.351 -0.439 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.576 -7.573 -0.431 1.00 0.00 C ATOM 0 H VAL A 12 -13.699 -9.312 0.487 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.037 -9.850 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.372 -9.162 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.128 -8.655 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.557 -10.370 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.637 -9.258 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.882 -6.912 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.489 -7.417 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.595 -7.351 -0.114 1.00 0.00 H new ATOM 138 N PRO A 13 -11.225 -12.130 -1.448 1.00 0.00 N ATOM 139 CA PRO A 13 -10.889 -13.534 -1.280 1.00 0.00 C ATOM 140 C PRO A 13 -9.746 -13.707 -0.278 1.00 0.00 C ATOM 141 O PRO A 13 -9.293 -12.737 0.327 1.00 0.00 O ATOM 142 CB PRO A 13 -10.536 -14.024 -2.675 1.00 0.00 C ATOM 143 CG PRO A 13 -10.237 -12.777 -3.491 1.00 0.00 C ATOM 144 CD PRO A 13 -10.744 -11.576 -2.710 1.00 0.00 C ATOM 0 HA PRO A 13 -11.711 -14.117 -0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.673 -14.690 -2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.360 -14.588 -3.111 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.166 -12.689 -3.674 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.724 -12.832 -4.465 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.950 -10.847 -2.545 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.542 -11.063 -3.247 1.00 0.00 H new ATOM 152 N ALA A 14 -9.311 -14.951 -0.134 1.00 0.00 N ATOM 153 CA ALA A 14 -8.229 -15.264 0.784 1.00 0.00 C ATOM 154 C ALA A 14 -6.952 -15.536 -0.013 1.00 0.00 C ATOM 155 O ALA A 14 -5.930 -15.914 0.556 1.00 0.00 O ATOM 156 CB ALA A 14 -8.632 -16.450 1.663 1.00 0.00 C ATOM 0 H ALA A 14 -9.688 -15.754 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.031 -14.421 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.820 -16.685 2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.527 -16.195 2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.836 -17.316 1.034 1.00 0.00 H new ATOM 162 N ASP A 15 -7.053 -15.332 -1.319 1.00 0.00 N ATOM 163 CA ASP A 15 -5.919 -15.551 -2.200 1.00 0.00 C ATOM 164 C ASP A 15 -5.355 -14.200 -2.643 1.00 0.00 C ATOM 165 O ASP A 15 -4.188 -14.104 -3.020 1.00 0.00 O ATOM 166 CB ASP A 15 -6.336 -16.323 -3.453 1.00 0.00 C ATOM 167 CG ASP A 15 -5.257 -17.235 -4.040 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.509 -17.823 -3.229 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.205 -17.325 -5.285 1.00 0.00 O ATOM 0 H ASP A 15 -7.903 -15.018 -1.787 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.173 -16.128 -1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.211 -16.928 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.641 -15.608 -4.217 1.00 0.00 H new ATOM 174 N MET A 16 -6.209 -13.189 -2.582 1.00 0.00 N ATOM 175 CA MET A 16 -5.811 -11.847 -2.972 1.00 0.00 C ATOM 176 C MET A 16 -5.695 -10.933 -1.751 1.00 0.00 C ATOM 177 O MET A 16 -6.171 -11.273 -0.669 1.00 0.00 O ATOM 178 CB MET A 16 -6.841 -11.271 -3.946 1.00 0.00 C ATOM 179 CG MET A 16 -6.928 -12.118 -5.217 1.00 0.00 C ATOM 180 SD MET A 16 -7.389 -11.093 -6.603 1.00 0.00 S ATOM 181 CE MET A 16 -5.779 -10.498 -7.097 1.00 0.00 C ATOM 0 H MET A 16 -7.176 -13.272 -2.268 1.00 0.00 H new ATOM 0 HA MET A 16 -4.835 -11.903 -3.454 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.818 -11.230 -3.465 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.569 -10.248 -4.205 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.968 -12.597 -5.411 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.660 -12.914 -5.084 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.846 -9.442 -7.358 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.076 -10.625 -6.274 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.431 -11.064 -7.961 1.00 0.00 H new ATOM 191 N ILE A 17 -5.058 -9.791 -1.965 1.00 0.00 N ATOM 192 CA ILE A 17 -4.874 -8.825 -0.896 1.00 0.00 C ATOM 193 C ILE A 17 -5.492 -7.488 -1.309 1.00 0.00 C ATOM 194 O ILE A 17 -5.067 -6.881 -2.292 1.00 0.00 O ATOM 195 CB ILE A 17 -3.396 -8.727 -0.512 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.868 -10.074 -0.013 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.167 -7.608 0.507 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.460 -10.343 -0.548 1.00 0.00 C ATOM 0 H ILE A 17 -4.663 -9.513 -2.863 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.393 -9.151 0.005 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.827 -8.470 -1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.855 -10.082 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.540 -10.872 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.109 -7.560 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.480 -6.656 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.749 -7.810 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.108 -11.306 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.482 -10.358 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.786 -9.556 -0.209 1.00 0.00 H new ATOM 210 N ASN A 18 -6.484 -7.067 -0.539 1.00 0.00 N ATOM 211 CA ASN A 18 -7.165 -5.813 -0.813 1.00 0.00 C ATOM 212 C ASN A 18 -6.275 -4.649 -0.374 1.00 0.00 C ATOM 213 O ASN A 18 -5.761 -4.643 0.744 1.00 0.00 O ATOM 214 CB ASN A 18 -8.481 -5.721 -0.039 1.00 0.00 C ATOM 215 CG ASN A 18 -9.616 -5.235 -0.943 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.876 -5.780 -2.004 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.275 -4.183 -0.467 1.00 0.00 N ATOM 0 H ASN A 18 -6.833 -7.572 0.275 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.372 -5.767 -1.882 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.733 -6.698 0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.365 -5.039 0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.050 -3.784 -0.997 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.006 -3.775 0.428 1.00 0.00 H new ATOM 224 N LEU A 19 -6.121 -3.691 -1.276 1.00 0.00 N ATOM 225 CA LEU A 19 -5.302 -2.523 -0.996 1.00 0.00 C ATOM 226 C LEU A 19 -6.137 -1.258 -1.204 1.00 0.00 C ATOM 227 O LEU A 19 -6.962 -1.198 -2.114 1.00 0.00 O ATOM 228 CB LEU A 19 -4.019 -2.557 -1.828 1.00 0.00 C ATOM 229 CG LEU A 19 -2.949 -3.550 -1.370 1.00 0.00 C ATOM 230 CD1 LEU A 19 -1.595 -3.229 -2.007 1.00 0.00 C ATOM 231 CD2 LEU A 19 -2.866 -3.602 0.157 1.00 0.00 C ATOM 0 H LEU A 19 -6.549 -3.699 -2.202 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.979 -2.524 0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.284 -2.789 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.583 -1.558 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.238 -4.544 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.852 -3.950 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.681 -3.284 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.286 -2.224 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.098 -4.315 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.613 -2.614 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.828 -3.914 0.563 1.00 0.00 H new ATOM 243 N ARG A 20 -5.894 -0.279 -0.345 1.00 0.00 N ATOM 244 CA ARG A 20 -6.614 0.981 -0.423 1.00 0.00 C ATOM 245 C ARG A 20 -5.711 2.072 -1.001 1.00 0.00 C ATOM 246 O ARG A 20 -4.788 2.537 -0.335 1.00 0.00 O ATOM 247 CB ARG A 20 -7.111 1.418 0.956 1.00 0.00 C ATOM 248 CG ARG A 20 -7.548 2.884 0.942 1.00 0.00 C ATOM 249 CD ARG A 20 -8.702 3.121 1.918 1.00 0.00 C ATOM 250 NE ARG A 20 -9.997 2.966 1.218 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.190 3.188 1.786 1.00 0.00 C ATOM 252 NH1 ARG A 20 -11.260 3.577 3.067 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.313 3.022 1.074 1.00 0.00 N ATOM 0 H ARG A 20 -5.209 -0.333 0.409 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.474 0.832 -1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.947 0.789 1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.320 1.278 1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.705 3.521 1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.855 3.166 -0.065 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.640 2.415 2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.628 4.121 2.346 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.980 2.672 0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.405 3.704 3.609 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.168 3.746 3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.260 2.726 0.099 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.221 3.191 1.507 1.00 0.00 H new ATOM 267 N LEU A 21 -6.009 2.449 -2.236 1.00 0.00 N ATOM 268 CA LEU A 21 -5.235 3.477 -2.912 1.00 0.00 C ATOM 269 C LEU A 21 -5.895 4.838 -2.683 1.00 0.00 C ATOM 270 O LEU A 21 -6.931 5.138 -3.275 1.00 0.00 O ATOM 271 CB LEU A 21 -5.050 3.124 -4.389 1.00 0.00 C ATOM 272 CG LEU A 21 -4.053 2.003 -4.691 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.617 2.461 -4.425 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.404 0.733 -3.913 1.00 0.00 C ATOM 0 H LEU A 21 -6.775 2.061 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.230 3.535 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.020 2.841 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.730 4.021 -4.919 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.122 1.760 -5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.928 1.646 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.384 3.316 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.514 2.747 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.680 -0.048 -4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.380 0.943 -2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.402 0.398 -4.195 1.00 0.00 H new ATOM 286 N ILE A 22 -5.268 5.627 -1.823 1.00 0.00 N ATOM 287 CA ILE A 22 -5.781 6.950 -1.509 1.00 0.00 C ATOM 288 C ILE A 22 -4.984 7.999 -2.287 1.00 0.00 C ATOM 289 O ILE A 22 -3.789 7.829 -2.520 1.00 0.00 O ATOM 290 CB ILE A 22 -5.784 7.177 0.004 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.645 6.131 0.715 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.220 8.604 0.343 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.987 5.672 2.017 1.00 0.00 C ATOM 0 H ILE A 22 -4.409 5.376 -1.334 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.820 7.041 -1.824 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.764 7.056 0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.629 6.549 0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.798 5.274 0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.214 8.739 1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.531 9.314 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.226 8.777 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.620 4.929 2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.014 5.233 1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.858 6.527 2.680 1.00 0.00 H new ATOM 305 N LEU A 23 -5.680 9.061 -2.667 1.00 0.00 N ATOM 306 CA LEU A 23 -5.053 10.138 -3.414 1.00 0.00 C ATOM 307 C LEU A 23 -4.486 11.169 -2.436 1.00 0.00 C ATOM 308 O LEU A 23 -3.280 11.203 -2.194 1.00 0.00 O ATOM 309 CB LEU A 23 -6.033 10.728 -4.429 1.00 0.00 C ATOM 310 CG LEU A 23 -5.618 10.629 -5.899 1.00 0.00 C ATOM 311 CD1 LEU A 23 -5.335 9.178 -6.292 1.00 0.00 C ATOM 312 CD2 LEU A 23 -6.664 11.276 -6.809 1.00 0.00 C ATOM 0 H LEU A 23 -6.672 9.198 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.215 9.758 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.994 10.228 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.188 11.779 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.690 11.185 -6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.042 9.136 -7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.528 8.784 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.233 8.579 -6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.345 11.192 -7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.621 10.769 -6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.773 12.328 -6.547 1.00 0.00 H new ATOM 324 N VAL A 24 -5.383 11.984 -1.900 1.00 0.00 N ATOM 325 CA VAL A 24 -4.987 13.013 -0.953 1.00 0.00 C ATOM 326 C VAL A 24 -5.746 12.811 0.360 1.00 0.00 C ATOM 327 O VAL A 24 -6.672 13.560 0.667 1.00 0.00 O ATOM 328 CB VAL A 24 -5.208 14.399 -1.564 1.00 0.00 C ATOM 329 CG1 VAL A 24 -4.257 14.637 -2.739 1.00 0.00 C ATOM 330 CG2 VAL A 24 -6.665 14.584 -1.991 1.00 0.00 C ATOM 0 H VAL A 24 -6.382 11.953 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.923 12.937 -0.729 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.987 15.143 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.434 15.629 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.226 14.568 -2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.433 13.884 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.795 15.577 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.925 13.830 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.315 14.478 -1.122 1.00 0.00 H new ATOM 340 N SER A 25 -5.324 11.796 1.099 1.00 0.00 N ATOM 341 CA SER A 25 -5.953 11.486 2.373 1.00 0.00 C ATOM 342 C SER A 25 -7.471 11.639 2.258 1.00 0.00 C ATOM 343 O SER A 25 -8.130 12.053 3.210 1.00 0.00 O ATOM 344 CB SER A 25 -5.412 12.384 3.487 1.00 0.00 C ATOM 345 OG SER A 25 -5.272 11.681 4.719 1.00 0.00 O ATOM 0 H SER A 25 -4.555 11.178 0.841 1.00 0.00 H new ATOM 0 HA SER A 25 -5.717 10.453 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.445 12.789 3.189 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.083 13.232 3.627 1.00 0.00 H new ATOM 0 HG SER A 25 -4.923 12.288 5.404 1.00 0.00 H new ATOM 351 N GLY A 26 -7.981 11.296 1.084 1.00 0.00 N ATOM 352 CA GLY A 26 -9.409 11.390 0.833 1.00 0.00 C ATOM 353 C GLY A 26 -9.856 10.340 -0.187 1.00 0.00 C ATOM 354 O GLY A 26 -9.775 9.141 0.075 1.00 0.00 O ATOM 0 H GLY A 26 -7.431 10.953 0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.956 11.252 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.653 12.387 0.465 1.00 0.00 H new ATOM 358 N LYS A 27 -10.319 10.829 -1.328 1.00 0.00 N ATOM 359 CA LYS A 27 -10.779 9.949 -2.388 1.00 0.00 C ATOM 360 C LYS A 27 -9.838 8.747 -2.491 1.00 0.00 C ATOM 361 O LYS A 27 -8.619 8.910 -2.518 1.00 0.00 O ATOM 362 CB LYS A 27 -10.935 10.723 -3.698 1.00 0.00 C ATOM 363 CG LYS A 27 -12.388 11.154 -3.911 1.00 0.00 C ATOM 364 CD LYS A 27 -12.568 11.822 -5.275 1.00 0.00 C ATOM 365 CE LYS A 27 -12.726 10.776 -6.381 1.00 0.00 C ATOM 366 NZ LYS A 27 -14.141 10.678 -6.803 1.00 0.00 N ATOM 0 H LYS A 27 -10.385 11.824 -1.541 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.770 9.559 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.290 11.601 -3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.610 10.102 -4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.043 10.286 -3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.685 11.845 -3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.445 12.470 -5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.708 12.456 -5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.103 11.044 -7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.379 9.806 -6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.231 9.964 -7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.727 10.401 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.461 11.600 -7.162 1.00 0.00 H new ATOM 380 N THR A 28 -10.439 7.568 -2.547 1.00 0.00 N ATOM 381 CA THR A 28 -9.669 6.340 -2.648 1.00 0.00 C ATOM 382 C THR A 28 -10.492 5.249 -3.335 1.00 0.00 C ATOM 383 O THR A 28 -11.709 5.374 -3.466 1.00 0.00 O ATOM 384 CB THR A 28 -9.205 5.956 -1.241 1.00 0.00 C ATOM 385 OG1 THR A 28 -8.434 4.774 -1.440 1.00 0.00 O ATOM 386 CG2 THR A 28 -10.361 5.500 -0.348 1.00 0.00 C ATOM 0 H THR A 28 -11.450 7.437 -2.524 1.00 0.00 H new ATOM 0 HA THR A 28 -8.786 6.477 -3.271 1.00 0.00 H new ATOM 0 HB THR A 28 -8.703 6.806 -0.780 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.101 4.752 -2.362 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.978 5.239 0.638 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.088 6.307 -0.253 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.842 4.629 -0.792 1.00 0.00 H new ATOM 394 N LYS A 29 -9.796 4.202 -3.755 1.00 0.00 N ATOM 395 CA LYS A 29 -10.448 3.090 -4.425 1.00 0.00 C ATOM 396 C LYS A 29 -9.833 1.776 -3.939 1.00 0.00 C ATOM 397 O LYS A 29 -8.628 1.701 -3.702 1.00 0.00 O ATOM 398 CB LYS A 29 -10.390 3.271 -5.943 1.00 0.00 C ATOM 399 CG LYS A 29 -11.767 3.054 -6.574 1.00 0.00 C ATOM 400 CD LYS A 29 -11.645 2.358 -7.931 1.00 0.00 C ATOM 401 CE LYS A 29 -12.964 1.691 -8.326 1.00 0.00 C ATOM 402 NZ LYS A 29 -13.087 1.618 -9.799 1.00 0.00 N ATOM 0 H LYS A 29 -8.787 4.101 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.507 3.060 -4.171 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.031 4.273 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.675 2.567 -6.370 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.386 2.453 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.270 4.013 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.359 3.084 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.853 1.610 -7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.013 0.688 -7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.801 2.254 -7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.988 1.163 -10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.062 2.578 -10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.298 1.062 -10.186 1.00 0.00 H new ATOM 416 N GLU A 30 -10.688 0.773 -3.805 1.00 0.00 N ATOM 417 CA GLU A 30 -10.244 -0.534 -3.352 1.00 0.00 C ATOM 418 C GLU A 30 -9.753 -1.368 -4.537 1.00 0.00 C ATOM 419 O GLU A 30 -10.468 -1.530 -5.525 1.00 0.00 O ATOM 420 CB GLU A 30 -11.358 -1.259 -2.594 1.00 0.00 C ATOM 421 CG GLU A 30 -11.570 -0.643 -1.210 1.00 0.00 C ATOM 422 CD GLU A 30 -12.503 -1.510 -0.362 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.647 -1.727 -0.818 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.053 -1.935 0.724 1.00 0.00 O ATOM 0 H GLU A 30 -11.687 0.839 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.412 -0.395 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.285 -1.207 -3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.106 -2.314 -2.491 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.610 -0.534 -0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.991 0.357 -1.314 1.00 0.00 H new ATOM 431 N PHE A 31 -8.537 -1.876 -4.398 1.00 0.00 N ATOM 432 CA PHE A 31 -7.943 -2.690 -5.445 1.00 0.00 C ATOM 433 C PHE A 31 -7.648 -4.104 -4.940 1.00 0.00 C ATOM 434 O PHE A 31 -7.888 -4.413 -3.774 1.00 0.00 O ATOM 435 CB PHE A 31 -6.627 -2.018 -5.841 1.00 0.00 C ATOM 436 CG PHE A 31 -6.785 -0.904 -6.878 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.065 -1.214 -8.172 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.645 0.397 -6.506 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.212 -0.180 -9.135 1.00 0.00 C ATOM 440 CE2 PHE A 31 -6.792 1.430 -7.468 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.072 1.120 -8.762 1.00 0.00 C ATOM 0 H PHE A 31 -7.947 -1.740 -3.577 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.629 -2.770 -6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.158 -1.605 -4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.949 -2.775 -6.236 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.176 -2.247 -8.468 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.422 0.644 -5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.435 -0.426 -10.163 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.681 2.463 -7.172 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.183 1.907 -9.494 1.00 0.00 H new ATOM 451 N LEU A 32 -7.131 -4.924 -5.842 1.00 0.00 N ATOM 452 CA LEU A 32 -6.800 -6.298 -5.502 1.00 0.00 C ATOM 453 C LEU A 32 -5.432 -6.649 -6.091 1.00 0.00 C ATOM 454 O LEU A 32 -5.155 -6.347 -7.251 1.00 0.00 O ATOM 455 CB LEU A 32 -7.920 -7.243 -5.942 1.00 0.00 C ATOM 456 CG LEU A 32 -9.125 -7.338 -5.003 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.428 -7.464 -5.795 1.00 0.00 C ATOM 458 CD2 LEU A 32 -8.950 -8.480 -4.001 1.00 0.00 C ATOM 0 H LEU A 32 -6.933 -4.664 -6.808 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.722 -6.415 -4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.273 -6.924 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.499 -8.241 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.185 -6.413 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.269 -7.530 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.551 -6.590 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.394 -8.362 -6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.820 -8.526 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.850 -9.423 -4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.055 -8.306 -3.404 1.00 0.00 H new ATOM 470 N PHE A 33 -4.613 -7.283 -5.264 1.00 0.00 N ATOM 471 CA PHE A 33 -3.281 -7.679 -5.689 1.00 0.00 C ATOM 472 C PHE A 33 -2.934 -9.077 -5.172 1.00 0.00 C ATOM 473 O PHE A 33 -3.640 -9.623 -4.326 1.00 0.00 O ATOM 474 CB PHE A 33 -2.302 -6.668 -5.088 1.00 0.00 C ATOM 475 CG PHE A 33 -2.520 -5.231 -5.566 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.457 -4.938 -6.892 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.777 -4.246 -4.664 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.660 -3.605 -7.336 1.00 0.00 C ATOM 479 CE2 PHE A 33 -2.979 -2.913 -5.107 1.00 0.00 C ATOM 480 CZ PHE A 33 -2.916 -2.620 -6.433 1.00 0.00 C ATOM 0 H PHE A 33 -4.846 -7.532 -4.303 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.228 -7.700 -6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.388 -6.696 -4.002 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.285 -6.972 -5.335 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.252 -5.720 -7.608 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.827 -4.478 -3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.611 -3.373 -8.390 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.183 -2.131 -4.390 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.069 -1.605 -6.770 1.00 0.00 H new ATOM 490 N SER A 34 -1.846 -9.615 -5.703 1.00 0.00 N ATOM 491 CA SER A 34 -1.397 -10.939 -5.306 1.00 0.00 C ATOM 492 C SER A 34 -0.139 -10.827 -4.443 1.00 0.00 C ATOM 493 O SER A 34 0.528 -9.793 -4.441 1.00 0.00 O ATOM 494 CB SER A 34 -1.125 -11.818 -6.529 1.00 0.00 C ATOM 495 OG SER A 34 0.092 -12.548 -6.401 1.00 0.00 O ATOM 0 H SER A 34 -1.262 -9.159 -6.404 1.00 0.00 H new ATOM 0 HA SER A 34 -2.189 -11.409 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.953 -12.514 -6.667 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.081 -11.194 -7.422 1.00 0.00 H new ATOM 0 HG SER A 34 0.229 -13.098 -7.200 1.00 0.00 H new ATOM 501 N PRO A 35 0.156 -11.935 -3.710 1.00 0.00 N ATOM 502 CA PRO A 35 1.322 -11.971 -2.844 1.00 0.00 C ATOM 503 C PRO A 35 2.607 -12.126 -3.661 1.00 0.00 C ATOM 504 O PRO A 35 3.706 -12.069 -3.112 1.00 0.00 O ATOM 505 CB PRO A 35 1.075 -13.135 -1.899 1.00 0.00 C ATOM 506 CG PRO A 35 0.009 -13.992 -2.564 1.00 0.00 C ATOM 507 CD PRO A 35 -0.610 -13.177 -3.688 1.00 0.00 C ATOM 0 HA PRO A 35 1.460 -11.045 -2.286 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.989 -13.706 -1.735 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.740 -12.782 -0.924 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.447 -14.911 -2.955 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.752 -14.284 -1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.542 -13.701 -4.641 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.667 -12.987 -3.504 1.00 0.00 H new ATOM 515 N ASN A 36 2.425 -12.320 -4.959 1.00 0.00 N ATOM 516 CA ASN A 36 3.556 -12.484 -5.856 1.00 0.00 C ATOM 517 C ASN A 36 3.856 -11.149 -6.541 1.00 0.00 C ATOM 518 O ASN A 36 5.002 -10.872 -6.894 1.00 0.00 O ATOM 519 CB ASN A 36 3.251 -13.516 -6.944 1.00 0.00 C ATOM 520 CG ASN A 36 2.892 -14.870 -6.331 1.00 0.00 C ATOM 521 OD1 ASN A 36 3.567 -15.381 -5.452 1.00 0.00 O ATOM 522 ND2 ASN A 36 1.795 -15.422 -6.841 1.00 0.00 N ATOM 0 H ASN A 36 1.512 -12.367 -5.411 1.00 0.00 H new ATOM 0 HA ASN A 36 4.408 -12.823 -5.266 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.426 -13.163 -7.564 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.116 -13.627 -7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.472 -16.327 -6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.276 -14.941 -7.575 1.00 0.00 H new ATOM 529 N ASP A 37 2.807 -10.358 -6.708 1.00 0.00 N ATOM 530 CA ASP A 37 2.944 -9.058 -7.345 1.00 0.00 C ATOM 531 C ASP A 37 3.854 -8.171 -6.492 1.00 0.00 C ATOM 532 O ASP A 37 3.905 -8.320 -5.272 1.00 0.00 O ATOM 533 CB ASP A 37 1.588 -8.362 -7.472 1.00 0.00 C ATOM 534 CG ASP A 37 0.660 -8.943 -8.540 1.00 0.00 C ATOM 535 OD1 ASP A 37 0.730 -10.174 -8.743 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.099 -8.143 -9.129 1.00 0.00 O ATOM 0 H ASP A 37 1.859 -10.591 -6.414 1.00 0.00 H new ATOM 0 HA ASP A 37 3.365 -9.211 -8.339 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.081 -8.408 -6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.757 -7.308 -7.693 1.00 0.00 H new ATOM 541 N SER A 38 4.548 -7.268 -7.168 1.00 0.00 N ATOM 542 CA SER A 38 5.453 -6.357 -6.488 1.00 0.00 C ATOM 543 C SER A 38 4.832 -4.960 -6.415 1.00 0.00 C ATOM 544 O SER A 38 3.795 -4.706 -7.024 1.00 0.00 O ATOM 545 CB SER A 38 6.809 -6.299 -7.194 1.00 0.00 C ATOM 546 OG SER A 38 6.748 -5.557 -8.409 1.00 0.00 O ATOM 0 H SER A 38 4.502 -7.147 -8.180 1.00 0.00 H new ATOM 0 HA SER A 38 5.616 -6.728 -5.476 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.544 -5.846 -6.529 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.151 -7.312 -7.405 1.00 0.00 H new ATOM 0 HG SER A 38 7.616 -5.135 -8.578 1.00 0.00 H new ATOM 552 N ALA A 39 5.494 -4.092 -5.664 1.00 0.00 N ATOM 553 CA ALA A 39 5.020 -2.728 -5.504 1.00 0.00 C ATOM 554 C ALA A 39 4.785 -2.109 -6.883 1.00 0.00 C ATOM 555 O ALA A 39 3.874 -1.300 -7.057 1.00 0.00 O ATOM 556 CB ALA A 39 6.027 -1.932 -4.671 1.00 0.00 C ATOM 0 H ALA A 39 6.354 -4.307 -5.160 1.00 0.00 H new ATOM 0 HA ALA A 39 4.070 -2.712 -4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.672 -0.909 -4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.136 -2.396 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.992 -1.924 -5.177 1.00 0.00 H new ATOM 562 N SER A 40 5.621 -2.512 -7.828 1.00 0.00 N ATOM 563 CA SER A 40 5.516 -2.007 -9.186 1.00 0.00 C ATOM 564 C SER A 40 4.160 -2.388 -9.782 1.00 0.00 C ATOM 565 O SER A 40 3.376 -1.518 -10.159 1.00 0.00 O ATOM 566 CB SER A 40 6.650 -2.542 -10.062 1.00 0.00 C ATOM 567 OG SER A 40 7.857 -1.806 -9.882 1.00 0.00 O ATOM 0 H SER A 40 6.375 -3.183 -7.680 1.00 0.00 H new ATOM 0 HA SER A 40 5.600 -0.921 -9.154 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.827 -3.591 -9.825 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.351 -2.497 -11.109 1.00 0.00 H new ATOM 0 HG SER A 40 8.557 -2.180 -10.457 1.00 0.00 H new ATOM 573 N ASP A 41 3.923 -3.690 -9.849 1.00 0.00 N ATOM 574 CA ASP A 41 2.675 -4.197 -10.393 1.00 0.00 C ATOM 575 C ASP A 41 1.506 -3.416 -9.790 1.00 0.00 C ATOM 576 O ASP A 41 0.588 -3.015 -10.505 1.00 0.00 O ATOM 577 CB ASP A 41 2.484 -5.676 -10.048 1.00 0.00 C ATOM 578 CG ASP A 41 3.074 -6.658 -11.062 1.00 0.00 C ATOM 579 OD1 ASP A 41 3.757 -6.174 -11.990 1.00 0.00 O ATOM 580 OD2 ASP A 41 2.829 -7.871 -10.885 1.00 0.00 O ATOM 0 H ASP A 41 4.575 -4.409 -9.535 1.00 0.00 H new ATOM 0 HA ASP A 41 2.708 -4.081 -11.476 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.935 -5.868 -9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.417 -5.876 -9.950 1.00 0.00 H new ATOM 585 N ILE A 42 1.578 -3.223 -8.481 1.00 0.00 N ATOM 586 CA ILE A 42 0.537 -2.497 -7.774 1.00 0.00 C ATOM 587 C ILE A 42 0.425 -1.084 -8.350 1.00 0.00 C ATOM 588 O ILE A 42 -0.509 -0.784 -9.092 1.00 0.00 O ATOM 589 CB ILE A 42 0.792 -2.528 -6.266 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.743 -3.961 -5.731 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.180 -1.606 -5.526 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.051 -3.997 -4.233 1.00 0.00 C ATOM 0 H ILE A 42 2.341 -3.557 -7.892 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.430 -2.979 -7.920 1.00 0.00 H new ATOM 0 HB ILE A 42 1.798 -2.150 -6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.243 -4.388 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.462 -4.579 -6.269 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.023 -1.647 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.053 -0.583 -5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.204 -1.930 -5.714 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.010 -5.027 -3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.047 -3.592 -4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.316 -3.398 -3.696 1.00 0.00 H new ATOM 604 N ALA A 43 1.391 -0.253 -7.986 1.00 0.00 N ATOM 605 CA ALA A 43 1.413 1.121 -8.458 1.00 0.00 C ATOM 606 C ALA A 43 1.075 1.150 -9.949 1.00 0.00 C ATOM 607 O ALA A 43 0.173 1.872 -10.372 1.00 0.00 O ATOM 608 CB ALA A 43 2.779 1.742 -8.157 1.00 0.00 C ATOM 0 H ALA A 43 2.164 -0.505 -7.370 1.00 0.00 H new ATOM 0 HA ALA A 43 0.662 1.717 -7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.796 2.773 -8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.958 1.724 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.558 1.172 -8.664 1.00 0.00 H new ATOM 614 N LYS A 44 1.816 0.355 -10.707 1.00 0.00 N ATOM 615 CA LYS A 44 1.607 0.280 -12.143 1.00 0.00 C ATOM 616 C LYS A 44 0.124 0.027 -12.425 1.00 0.00 C ATOM 617 O LYS A 44 -0.502 0.767 -13.182 1.00 0.00 O ATOM 618 CB LYS A 44 2.537 -0.762 -12.767 1.00 0.00 C ATOM 619 CG LYS A 44 2.368 -0.808 -14.287 1.00 0.00 C ATOM 620 CD LYS A 44 3.246 0.244 -14.968 1.00 0.00 C ATOM 621 CE LYS A 44 3.403 -0.057 -16.460 1.00 0.00 C ATOM 622 NZ LYS A 44 2.194 0.361 -17.203 1.00 0.00 N ATOM 0 H LYS A 44 2.563 -0.243 -10.353 1.00 0.00 H new ATOM 0 HA LYS A 44 1.866 1.228 -12.615 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.572 -0.525 -12.520 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.325 -1.744 -12.344 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.630 -1.800 -14.656 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.323 -0.638 -14.546 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.804 1.232 -14.837 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.227 0.268 -14.493 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.276 0.464 -16.852 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.576 -1.123 -16.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.243 0.000 -18.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.349 -0.022 -16.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.139 1.399 -17.221 1.00 0.00 H new ATOM 636 N HIS A 45 -0.394 -1.020 -11.800 1.00 0.00 N ATOM 637 CA HIS A 45 -1.791 -1.380 -11.974 1.00 0.00 C ATOM 638 C HIS A 45 -2.666 -0.137 -11.802 1.00 0.00 C ATOM 639 O HIS A 45 -3.468 0.188 -12.676 1.00 0.00 O ATOM 640 CB HIS A 45 -2.182 -2.516 -11.027 1.00 0.00 C ATOM 641 CG HIS A 45 -3.666 -2.790 -10.976 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.219 -3.997 -11.367 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.705 -2.002 -10.575 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.532 -3.926 -11.206 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.831 -2.689 -10.716 1.00 0.00 N ATOM 0 H HIS A 45 0.129 -1.631 -11.172 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.950 -1.757 -12.984 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.665 -3.425 -11.334 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.833 -2.275 -10.023 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.624 -0.990 -10.205 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.241 -4.710 -11.425 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.766 -2.348 -10.494 1.00 0.00 H new ATOM 653 N VAL A 46 -2.482 0.525 -10.670 1.00 0.00 N ATOM 654 CA VAL A 46 -3.244 1.726 -10.372 1.00 0.00 C ATOM 655 C VAL A 46 -3.216 2.657 -11.586 1.00 0.00 C ATOM 656 O VAL A 46 -4.261 3.114 -12.046 1.00 0.00 O ATOM 657 CB VAL A 46 -2.707 2.385 -9.100 1.00 0.00 C ATOM 658 CG1 VAL A 46 -3.345 3.759 -8.883 1.00 0.00 C ATOM 659 CG2 VAL A 46 -2.919 1.483 -7.883 1.00 0.00 C ATOM 0 H VAL A 46 -1.816 0.253 -9.947 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.287 1.478 -10.177 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.634 2.530 -9.225 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.946 4.206 -7.972 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.119 4.403 -9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.425 3.648 -8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.528 1.976 -6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.984 1.291 -7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.396 0.539 -8.034 1.00 0.00 H new ATOM 669 N TYR A 47 -2.009 2.909 -12.070 1.00 0.00 N ATOM 670 CA TYR A 47 -1.832 3.778 -13.221 1.00 0.00 C ATOM 671 C TYR A 47 -2.548 3.213 -14.450 1.00 0.00 C ATOM 672 O TYR A 47 -3.332 3.911 -15.091 1.00 0.00 O ATOM 673 CB TYR A 47 -0.327 3.812 -13.495 1.00 0.00 C ATOM 674 CG TYR A 47 0.391 5.014 -12.877 1.00 0.00 C ATOM 675 CD1 TYR A 47 0.360 5.207 -11.511 1.00 0.00 C ATOM 676 CD2 TYR A 47 1.068 5.904 -13.685 1.00 0.00 C ATOM 677 CE1 TYR A 47 1.035 6.338 -10.928 1.00 0.00 C ATOM 678 CE2 TYR A 47 1.744 7.035 -13.103 1.00 0.00 C ATOM 679 CZ TYR A 47 1.694 7.196 -11.753 1.00 0.00 C ATOM 680 OH TYR A 47 2.332 8.264 -11.203 1.00 0.00 O ATOM 0 H TYR A 47 -1.144 2.527 -11.687 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.244 4.767 -13.022 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.123 2.896 -13.111 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.164 3.819 -14.573 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.170 4.510 -10.879 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.091 5.753 -14.754 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.018 6.501 -9.861 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.278 7.739 -13.724 1.00 0.00 H new ATOM 0 HH TYR A 47 2.760 8.789 -11.911 1.00 0.00 H new ATOM 690 N ASP A 48 -2.254 1.954 -14.740 1.00 0.00 N ATOM 691 CA ASP A 48 -2.861 1.288 -15.880 1.00 0.00 C ATOM 692 C ASP A 48 -4.352 1.629 -15.931 1.00 0.00 C ATOM 693 O ASP A 48 -4.866 2.023 -16.976 1.00 0.00 O ATOM 694 CB ASP A 48 -2.728 -0.232 -15.764 1.00 0.00 C ATOM 695 CG ASP A 48 -1.606 -0.848 -16.602 1.00 0.00 C ATOM 696 OD1 ASP A 48 -0.445 -0.438 -16.385 1.00 0.00 O ATOM 697 OD2 ASP A 48 -1.934 -1.716 -17.440 1.00 0.00 O ATOM 0 H ASP A 48 -1.604 1.378 -14.206 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.350 1.628 -16.781 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.562 -0.488 -14.718 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.673 -0.688 -16.058 1.00 0.00 H new ATOM 702 N ASN A 49 -5.003 1.465 -14.789 1.00 0.00 N ATOM 703 CA ASN A 49 -6.424 1.751 -14.690 1.00 0.00 C ATOM 704 C ASN A 49 -6.649 3.256 -14.849 1.00 0.00 C ATOM 705 O ASN A 49 -5.709 4.042 -14.745 1.00 0.00 O ATOM 706 CB ASN A 49 -6.977 1.331 -13.327 1.00 0.00 C ATOM 707 CG ASN A 49 -7.287 -0.167 -13.298 1.00 0.00 C ATOM 708 OD1 ASN A 49 -8.430 -0.592 -13.355 1.00 0.00 O ATOM 709 ND2 ASN A 49 -6.210 -0.941 -13.207 1.00 0.00 N ATOM 0 H ASN A 49 -4.573 1.138 -13.924 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.936 1.193 -15.474 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.254 1.571 -12.548 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.882 1.897 -13.108 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.312 -1.956 -13.181 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.282 -0.520 -13.163 1.00 0.00 H new ATOM 716 N TRP A 50 -7.901 3.611 -15.097 1.00 0.00 N ATOM 717 CA TRP A 50 -8.262 5.008 -15.271 1.00 0.00 C ATOM 718 C TRP A 50 -7.688 5.482 -16.608 1.00 0.00 C ATOM 719 O TRP A 50 -6.474 5.468 -16.806 1.00 0.00 O ATOM 720 CB TRP A 50 -7.786 5.849 -14.085 1.00 0.00 C ATOM 721 CG TRP A 50 -8.050 5.207 -12.721 1.00 0.00 C ATOM 722 CD1 TRP A 50 -9.064 4.404 -12.369 1.00 0.00 C ATOM 723 CD2 TRP A 50 -7.241 5.346 -11.534 1.00 0.00 C ATOM 724 NE1 TRP A 50 -8.968 4.018 -11.048 1.00 0.00 N ATOM 725 CE2 TRP A 50 -7.824 4.609 -10.524 1.00 0.00 C ATOM 726 CE3 TRP A 50 -6.056 6.072 -11.321 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.293 4.526 -9.231 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.538 5.978 -10.024 1.00 0.00 C ATOM 729 CH2 TRP A 50 -6.113 5.240 -8.996 1.00 0.00 C ATOM 0 H TRP A 50 -8.678 2.956 -15.182 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.345 5.126 -15.296 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -6.716 6.032 -14.188 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -8.280 6.820 -14.120 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -9.856 4.098 -13.036 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.617 3.411 -10.548 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.583 6.656 -12.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.769 3.942 -8.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.628 6.517 -9.807 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -5.651 5.218 -8.020 1.00 0.00 H new ATOM 740 N PRO A 51 -8.612 5.900 -17.514 1.00 0.00 N ATOM 741 CA PRO A 51 -8.210 6.377 -18.826 1.00 0.00 C ATOM 742 C PRO A 51 -7.609 7.782 -18.739 1.00 0.00 C ATOM 743 O PRO A 51 -6.644 8.092 -19.436 1.00 0.00 O ATOM 744 CB PRO A 51 -9.474 6.324 -19.668 1.00 0.00 C ATOM 745 CG PRO A 51 -10.630 6.264 -18.682 1.00 0.00 C ATOM 746 CD PRO A 51 -10.058 5.930 -17.314 1.00 0.00 C ATOM 0 HA PRO A 51 -7.424 5.768 -19.272 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.553 7.202 -20.309 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.472 5.451 -20.321 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.157 7.218 -18.653 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.354 5.509 -18.988 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.340 6.679 -16.573 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.428 4.970 -16.954 1.00 0.00 H new ATOM 754 N MET A 52 -8.204 8.593 -17.877 1.00 0.00 N ATOM 755 CA MET A 52 -7.740 9.957 -17.689 1.00 0.00 C ATOM 756 C MET A 52 -6.460 9.990 -16.851 1.00 0.00 C ATOM 757 O MET A 52 -5.441 10.522 -17.288 1.00 0.00 O ATOM 758 CB MET A 52 -8.828 10.776 -16.992 1.00 0.00 C ATOM 759 CG MET A 52 -8.421 12.246 -16.882 1.00 0.00 C ATOM 760 SD MET A 52 -8.264 12.708 -15.165 1.00 0.00 S ATOM 761 CE MET A 52 -7.568 14.342 -15.346 1.00 0.00 C ATOM 0 H MET A 52 -9.004 8.332 -17.301 1.00 0.00 H new ATOM 0 HA MET A 52 -7.523 10.385 -18.668 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.762 10.694 -17.548 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.012 10.370 -15.997 1.00 0.00 H new ATOM 0 HG2 MET A 52 -7.476 12.410 -17.399 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.165 12.876 -17.370 1.00 0.00 H new ATOM 0 HE1 MET A 52 -7.405 14.779 -14.361 1.00 0.00 H new ATOM 0 HE2 MET A 52 -6.618 14.276 -15.875 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.256 14.970 -15.912 1.00 0.00 H new ATOM 771 N ASP A 53 -6.555 9.415 -15.661 1.00 0.00 N ATOM 772 CA ASP A 53 -5.418 9.371 -14.757 1.00 0.00 C ATOM 773 C ASP A 53 -4.978 10.800 -14.430 1.00 0.00 C ATOM 774 O ASP A 53 -5.396 11.749 -15.092 1.00 0.00 O ATOM 775 CB ASP A 53 -4.233 8.646 -15.398 1.00 0.00 C ATOM 776 CG ASP A 53 -3.915 7.274 -14.800 1.00 0.00 C ATOM 777 OD1 ASP A 53 -4.672 6.330 -15.112 1.00 0.00 O ATOM 778 OD2 ASP A 53 -2.921 7.201 -14.045 1.00 0.00 O ATOM 0 H ASP A 53 -7.402 8.975 -15.302 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.722 8.838 -13.856 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.433 8.524 -16.462 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.349 9.278 -15.310 1.00 0.00 H new ATOM 783 N TRP A 54 -4.140 10.907 -13.410 1.00 0.00 N ATOM 784 CA TRP A 54 -3.638 12.204 -12.987 1.00 0.00 C ATOM 785 C TRP A 54 -2.154 12.279 -13.352 1.00 0.00 C ATOM 786 O TRP A 54 -1.360 11.450 -12.910 1.00 0.00 O ATOM 787 CB TRP A 54 -3.899 12.433 -11.497 1.00 0.00 C ATOM 788 CG TRP A 54 -3.774 11.171 -10.641 1.00 0.00 C ATOM 789 CD1 TRP A 54 -4.735 10.296 -10.316 1.00 0.00 C ATOM 790 CD2 TRP A 54 -2.573 10.674 -10.012 1.00 0.00 C ATOM 791 NE1 TRP A 54 -4.245 9.276 -9.526 1.00 0.00 N ATOM 792 CE2 TRP A 54 -2.888 9.513 -9.336 1.00 0.00 C ATOM 793 CE3 TRP A 54 -1.265 11.189 -10.015 1.00 0.00 C ATOM 794 CZ2 TRP A 54 -1.949 8.769 -8.611 1.00 0.00 C ATOM 795 CZ3 TRP A 54 -0.338 10.433 -9.287 1.00 0.00 C ATOM 796 CH2 TRP A 54 -0.639 9.263 -8.600 1.00 0.00 C ATOM 0 H TRP A 54 -3.796 10.117 -12.864 1.00 0.00 H new ATOM 0 HA TRP A 54 -4.164 13.008 -13.502 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.198 13.181 -11.127 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.900 12.845 -11.373 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.764 10.378 -10.633 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.780 8.493 -9.151 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.996 12.095 -10.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.221 7.863 -8.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.683 10.784 -9.257 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.134 8.737 -8.060 1.00 0.00 H new ATOM 807 N GLU A 55 -1.826 13.280 -14.156 1.00 0.00 N ATOM 808 CA GLU A 55 -0.451 13.474 -14.586 1.00 0.00 C ATOM 809 C GLU A 55 0.027 12.267 -15.396 1.00 0.00 C ATOM 810 O GLU A 55 0.048 11.145 -14.891 1.00 0.00 O ATOM 811 CB GLU A 55 0.467 13.729 -13.389 1.00 0.00 C ATOM 812 CG GLU A 55 0.132 15.062 -12.716 1.00 0.00 C ATOM 813 CD GLU A 55 -0.228 14.857 -11.243 1.00 0.00 C ATOM 814 OE1 GLU A 55 -1.397 14.496 -10.989 1.00 0.00 O ATOM 815 OE2 GLU A 55 0.675 15.067 -10.404 1.00 0.00 O ATOM 0 H GLU A 55 -2.488 13.965 -14.521 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.412 14.355 -15.226 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.365 12.918 -12.668 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.506 13.734 -13.718 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.984 15.738 -12.795 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.701 15.536 -13.235 1.00 0.00 H new ATOM 822 N GLU A 56 0.399 12.539 -16.638 1.00 0.00 N ATOM 823 CA GLU A 56 0.876 11.489 -17.523 1.00 0.00 C ATOM 824 C GLU A 56 1.413 12.093 -18.822 1.00 0.00 C ATOM 825 O GLU A 56 0.659 12.684 -19.594 1.00 0.00 O ATOM 826 CB GLU A 56 -0.228 10.469 -17.807 1.00 0.00 C ATOM 827 CG GLU A 56 -1.361 11.099 -18.619 1.00 0.00 C ATOM 828 CD GLU A 56 -2.727 10.693 -18.062 1.00 0.00 C ATOM 829 OE1 GLU A 56 -3.016 11.099 -16.916 1.00 0.00 O ATOM 830 OE2 GLU A 56 -3.451 9.985 -18.795 1.00 0.00 O ATOM 0 H GLU A 56 0.380 13.471 -17.053 1.00 0.00 H new ATOM 0 HA GLU A 56 1.691 10.964 -17.026 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.187 9.621 -18.352 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.621 10.082 -16.867 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.265 12.185 -18.602 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.282 10.789 -19.661 1.00 0.00 H new ATOM 837 N GLU A 57 2.712 11.924 -19.023 1.00 0.00 N ATOM 838 CA GLU A 57 3.358 12.445 -20.215 1.00 0.00 C ATOM 839 C GLU A 57 3.920 11.299 -21.059 1.00 0.00 C ATOM 840 O GLU A 57 3.516 11.111 -22.205 1.00 0.00 O ATOM 841 CB GLU A 57 4.456 13.446 -19.850 1.00 0.00 C ATOM 842 CG GLU A 57 4.528 14.580 -20.876 1.00 0.00 C ATOM 843 CD GLU A 57 5.802 14.478 -21.717 1.00 0.00 C ATOM 844 OE1 GLU A 57 6.880 14.340 -21.100 1.00 0.00 O ATOM 845 OE2 GLU A 57 5.668 14.541 -22.958 1.00 0.00 O ATOM 0 H GLU A 57 3.334 11.434 -18.380 1.00 0.00 H new ATOM 0 HA GLU A 57 2.611 12.974 -20.807 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.262 13.858 -18.860 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.417 12.935 -19.800 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.654 14.543 -21.527 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.502 15.541 -20.363 1.00 0.00 H new ATOM 852 N GLN A 58 4.843 10.562 -20.458 1.00 0.00 N ATOM 853 CA GLN A 58 5.464 9.439 -21.140 1.00 0.00 C ATOM 854 C GLN A 58 6.538 8.807 -20.252 1.00 0.00 C ATOM 855 O GLN A 58 7.639 8.515 -20.716 1.00 0.00 O ATOM 856 CB GLN A 58 6.049 9.870 -22.486 1.00 0.00 C ATOM 857 CG GLN A 58 5.699 8.864 -23.584 1.00 0.00 C ATOM 858 CD GLN A 58 6.470 9.166 -24.871 1.00 0.00 C ATOM 859 OE1 GLN A 58 7.218 10.125 -24.966 1.00 0.00 O ATOM 860 NE2 GLN A 58 6.245 8.297 -25.852 1.00 0.00 N ATOM 0 H GLN A 58 5.176 10.721 -19.507 1.00 0.00 H new ATOM 0 HA GLN A 58 4.697 8.690 -21.338 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.666 10.854 -22.754 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.132 9.961 -22.403 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.932 7.855 -23.245 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.628 8.895 -23.782 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.606 7.516 -25.705 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.711 8.412 -26.752 1.00 0.00 H new ATOM 869 N VAL A 59 6.180 8.615 -18.991 1.00 0.00 N ATOM 870 CA VAL A 59 7.099 8.023 -18.034 1.00 0.00 C ATOM 871 C VAL A 59 6.384 6.907 -17.269 1.00 0.00 C ATOM 872 O VAL A 59 5.155 6.857 -17.242 1.00 0.00 O ATOM 873 CB VAL A 59 7.669 9.107 -17.116 1.00 0.00 C ATOM 874 CG1 VAL A 59 8.445 10.152 -17.919 1.00 0.00 C ATOM 875 CG2 VAL A 59 6.561 9.762 -16.289 1.00 0.00 C ATOM 0 H VAL A 59 5.266 8.859 -18.610 1.00 0.00 H new ATOM 0 HA VAL A 59 7.948 7.572 -18.548 1.00 0.00 H new ATOM 0 HB VAL A 59 8.365 8.631 -16.426 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.840 10.911 -17.243 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.270 9.669 -18.444 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.780 10.622 -18.643 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.992 10.528 -15.645 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.830 10.218 -16.957 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.070 9.007 -15.675 1.00 0.00 H new ATOM 885 N SER A 60 7.184 6.039 -16.667 1.00 0.00 N ATOM 886 CA SER A 60 6.643 4.927 -15.904 1.00 0.00 C ATOM 887 C SER A 60 7.765 4.222 -15.140 1.00 0.00 C ATOM 888 O SER A 60 7.720 3.008 -14.945 1.00 0.00 O ATOM 889 CB SER A 60 5.916 3.936 -16.815 1.00 0.00 C ATOM 890 OG SER A 60 4.531 3.833 -16.495 1.00 0.00 O ATOM 0 H SER A 60 8.203 6.083 -16.692 1.00 0.00 H new ATOM 0 HA SER A 60 5.919 5.321 -15.191 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.026 4.250 -17.853 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.382 2.955 -16.728 1.00 0.00 H new ATOM 0 HG SER A 60 4.102 3.192 -17.100 1.00 0.00 H new ATOM 896 N SER A 61 8.746 5.012 -14.730 1.00 0.00 N ATOM 897 CA SER A 61 9.879 4.478 -13.992 1.00 0.00 C ATOM 898 C SER A 61 9.538 4.390 -12.503 1.00 0.00 C ATOM 899 O SER A 61 8.776 5.206 -11.988 1.00 0.00 O ATOM 900 CB SER A 61 11.127 5.337 -14.201 1.00 0.00 C ATOM 901 OG SER A 61 11.947 4.840 -15.256 1.00 0.00 O ATOM 0 H SER A 61 8.780 6.018 -14.895 1.00 0.00 H new ATOM 0 HA SER A 61 10.093 3.478 -14.369 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.829 6.361 -14.425 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.704 5.368 -13.277 1.00 0.00 H new ATOM 0 HG SER A 61 12.733 5.417 -15.359 1.00 0.00 H new ATOM 907 N PRO A 62 10.136 3.367 -11.836 1.00 0.00 N ATOM 908 CA PRO A 62 9.904 3.162 -10.416 1.00 0.00 C ATOM 909 C PRO A 62 10.664 4.195 -9.582 1.00 0.00 C ATOM 910 O PRO A 62 10.457 4.295 -8.374 1.00 0.00 O ATOM 911 CB PRO A 62 10.352 1.735 -10.147 1.00 0.00 C ATOM 912 CG PRO A 62 11.246 1.351 -11.315 1.00 0.00 C ATOM 913 CD PRO A 62 11.045 2.381 -12.414 1.00 0.00 C ATOM 0 HA PRO A 62 8.859 3.297 -10.136 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.892 1.667 -9.203 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.496 1.064 -10.074 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.290 1.324 -11.004 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.995 0.354 -11.676 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.991 2.838 -12.707 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.620 1.927 -13.309 1.00 0.00 H new ATOM 921 N ASN A 63 11.527 4.937 -10.260 1.00 0.00 N ATOM 922 CA ASN A 63 12.319 5.959 -9.596 1.00 0.00 C ATOM 923 C ASN A 63 11.448 7.192 -9.350 1.00 0.00 C ATOM 924 O ASN A 63 11.712 7.971 -8.434 1.00 0.00 O ATOM 925 CB ASN A 63 13.506 6.384 -10.462 1.00 0.00 C ATOM 926 CG ASN A 63 14.773 5.622 -10.068 1.00 0.00 C ATOM 927 OD1 ASN A 63 15.430 5.924 -9.085 1.00 0.00 O ATOM 928 ND2 ASN A 63 15.077 4.619 -10.887 1.00 0.00 N ATOM 0 H ASN A 63 11.695 4.851 -11.262 1.00 0.00 H new ATOM 0 HA ASN A 63 12.687 5.544 -8.658 1.00 0.00 H new ATOM 0 HB2 ASN A 63 13.279 6.200 -11.512 1.00 0.00 H new ATOM 0 HB3 ASN A 63 13.674 7.456 -10.355 1.00 0.00 H new ATOM 0 HD21 ASN A 63 15.904 4.048 -10.710 1.00 0.00 H new ATOM 0 HD22 ASN A 63 14.483 4.420 -11.692 1.00 0.00 H new ATOM 935 N ILE A 64 10.427 7.333 -10.183 1.00 0.00 N ATOM 936 CA ILE A 64 9.515 8.458 -10.066 1.00 0.00 C ATOM 937 C ILE A 64 8.159 7.961 -9.563 1.00 0.00 C ATOM 938 O ILE A 64 7.121 8.529 -9.901 1.00 0.00 O ATOM 939 CB ILE A 64 9.438 9.224 -11.389 1.00 0.00 C ATOM 940 CG1 ILE A 64 9.468 8.264 -12.580 1.00 0.00 C ATOM 941 CG2 ILE A 64 10.540 10.281 -11.476 1.00 0.00 C ATOM 942 CD1 ILE A 64 8.963 8.951 -13.851 1.00 0.00 C ATOM 0 H ILE A 64 10.211 6.686 -10.942 1.00 0.00 H new ATOM 0 HA ILE A 64 9.884 9.173 -9.331 1.00 0.00 H new ATOM 0 HB ILE A 64 8.484 9.751 -11.424 1.00 0.00 H new ATOM 0 HG12 ILE A 64 10.485 7.904 -12.736 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.851 7.392 -12.364 1.00 0.00 H new ATOM 0 HG21 ILE A 64 10.462 10.810 -12.426 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.430 10.990 -10.655 1.00 0.00 H new ATOM 0 HG23 ILE A 64 11.514 9.797 -11.409 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.995 8.247 -14.682 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.937 9.288 -13.700 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.597 9.808 -14.077 1.00 0.00 H new ATOM 954 N LEU A 65 8.211 6.905 -8.764 1.00 0.00 N ATOM 955 CA LEU A 65 6.999 6.325 -8.211 1.00 0.00 C ATOM 956 C LEU A 65 7.335 5.603 -6.904 1.00 0.00 C ATOM 957 O LEU A 65 8.332 4.887 -6.825 1.00 0.00 O ATOM 958 CB LEU A 65 6.311 5.434 -9.247 1.00 0.00 C ATOM 959 CG LEU A 65 6.398 3.926 -8.998 1.00 0.00 C ATOM 960 CD1 LEU A 65 5.361 3.480 -7.965 1.00 0.00 C ATOM 961 CD2 LEU A 65 6.273 3.147 -10.309 1.00 0.00 C ATOM 0 H LEU A 65 9.073 6.436 -8.487 1.00 0.00 H new ATOM 0 HA LEU A 65 6.279 7.106 -7.968 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.259 5.714 -9.297 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.744 5.646 -10.225 1.00 0.00 H new ATOM 0 HG LEU A 65 7.381 3.704 -8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.444 2.405 -7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.538 4.000 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.361 3.717 -8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.338 2.078 -10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.313 3.370 -10.775 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.079 3.437 -10.983 1.00 0.00 H new ATOM 973 N ARG A 66 6.483 5.816 -5.912 1.00 0.00 N ATOM 974 CA ARG A 66 6.676 5.195 -4.613 1.00 0.00 C ATOM 975 C ARG A 66 5.327 4.956 -3.933 1.00 0.00 C ATOM 976 O ARG A 66 4.392 5.735 -4.110 1.00 0.00 O ATOM 977 CB ARG A 66 7.548 6.068 -3.709 1.00 0.00 C ATOM 978 CG ARG A 66 9.013 5.631 -3.772 1.00 0.00 C ATOM 979 CD ARG A 66 9.563 5.355 -2.371 1.00 0.00 C ATOM 980 NE ARG A 66 10.504 6.427 -1.976 1.00 0.00 N ATOM 981 CZ ARG A 66 11.324 6.355 -0.918 1.00 0.00 C ATOM 982 NH1 ARG A 66 11.324 5.262 -0.144 1.00 0.00 N ATOM 983 NH2 ARG A 66 12.144 7.377 -0.636 1.00 0.00 N ATOM 0 H ARG A 66 5.657 6.410 -5.982 1.00 0.00 H new ATOM 0 HA ARG A 66 7.180 4.242 -4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.463 7.111 -4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.190 6.005 -2.681 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.103 4.734 -4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.608 6.407 -4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.744 5.297 -1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.070 4.390 -2.354 1.00 0.00 H new ATOM 0 HE ARG A 66 10.530 7.274 -2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.700 4.484 -0.360 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.948 5.207 0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.144 8.209 -1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.768 7.323 0.169 1.00 0.00 H new ATOM 997 N LEU A 67 5.269 3.875 -3.168 1.00 0.00 N ATOM 998 CA LEU A 67 4.050 3.524 -2.460 1.00 0.00 C ATOM 999 C LEU A 67 4.279 3.673 -0.954 1.00 0.00 C ATOM 1000 O LEU A 67 5.248 3.142 -0.414 1.00 0.00 O ATOM 1001 CB LEU A 67 3.572 2.131 -2.874 1.00 0.00 C ATOM 1002 CG LEU A 67 3.280 1.155 -1.733 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.023 1.569 -0.965 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.189 -0.282 -2.250 1.00 0.00 C ATOM 0 H LEU A 67 6.047 3.231 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 67 3.243 4.206 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.667 2.242 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.328 1.687 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 67 4.113 1.192 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.838 0.858 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.165 2.565 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.169 1.579 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.981 -0.955 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.387 -0.354 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.134 -0.562 -2.715 1.00 0.00 H new ATOM 1016 N ILE A 68 3.370 4.399 -0.319 1.00 0.00 N ATOM 1017 CA ILE A 68 3.461 4.625 1.114 1.00 0.00 C ATOM 1018 C ILE A 68 2.528 3.653 1.839 1.00 0.00 C ATOM 1019 O ILE A 68 1.405 3.417 1.395 1.00 0.00 O ATOM 1020 CB ILE A 68 3.193 6.095 1.442 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.316 6.988 0.912 1.00 0.00 C ATOM 1022 CG2 ILE A 68 2.966 6.289 2.943 1.00 0.00 C ATOM 1023 CD1 ILE A 68 3.908 7.662 -0.400 1.00 0.00 C ATOM 0 H ILE A 68 2.567 4.838 -0.770 1.00 0.00 H new ATOM 0 HA ILE A 68 4.471 4.422 1.469 1.00 0.00 H new ATOM 0 HB ILE A 68 2.276 6.397 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.562 7.748 1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.215 6.393 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.778 7.343 3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.107 5.698 3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.851 5.965 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.724 8.291 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.686 6.900 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.023 8.276 -0.234 1.00 0.00 H new ATOM 1035 N TYR A 69 3.027 3.114 2.942 1.00 0.00 N ATOM 1036 CA TYR A 69 2.252 2.173 3.732 1.00 0.00 C ATOM 1037 C TYR A 69 2.491 2.387 5.228 1.00 0.00 C ATOM 1038 O TYR A 69 3.623 2.287 5.700 1.00 0.00 O ATOM 1039 CB TYR A 69 2.752 0.782 3.341 1.00 0.00 C ATOM 1040 CG TYR A 69 2.151 -0.353 4.173 1.00 0.00 C ATOM 1041 CD1 TYR A 69 0.907 -0.199 4.752 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.852 -1.529 4.345 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.341 -1.267 5.536 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.286 -2.596 5.129 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.058 -2.413 5.685 1.00 0.00 C ATOM 1046 OH TYR A 69 0.524 -3.421 6.425 1.00 0.00 O ATOM 0 H TYR A 69 3.959 3.311 3.307 1.00 0.00 H new ATOM 0 HA TYR A 69 1.186 2.301 3.545 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.524 0.608 2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.837 0.756 3.440 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.359 0.722 4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.825 -1.649 3.892 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.631 -1.160 5.995 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.825 -3.521 5.272 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.453 -3.391 6.361 1.00 0.00 H new ATOM 1056 N GLN A 70 1.407 2.677 5.933 1.00 0.00 N ATOM 1057 CA GLN A 70 1.485 2.905 7.366 1.00 0.00 C ATOM 1058 C GLN A 70 2.232 4.208 7.656 1.00 0.00 C ATOM 1059 O GLN A 70 2.530 4.514 8.810 1.00 0.00 O ATOM 1060 CB GLN A 70 2.150 1.723 8.074 1.00 0.00 C ATOM 1061 CG GLN A 70 1.112 0.864 8.799 1.00 0.00 C ATOM 1062 CD GLN A 70 1.665 0.340 10.126 1.00 0.00 C ATOM 1063 OE1 GLN A 70 2.825 -0.020 10.247 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.773 0.317 11.113 1.00 0.00 N ATOM 0 H GLN A 70 0.470 2.759 5.538 1.00 0.00 H new ATOM 0 HA GLN A 70 0.471 2.996 7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.687 1.114 7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.887 2.090 8.789 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.212 1.452 8.982 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.822 0.026 8.165 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.182 0.633 10.945 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.044 -0.016 12.038 1.00 0.00 H new ATOM 1073 N GLY A 71 2.514 4.941 6.589 1.00 0.00 N ATOM 1074 CA GLY A 71 3.221 6.205 6.715 1.00 0.00 C ATOM 1075 C GLY A 71 4.566 6.155 5.988 1.00 0.00 C ATOM 1076 O GLY A 71 4.956 7.118 5.329 1.00 0.00 O ATOM 0 H GLY A 71 2.266 4.684 5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.611 7.010 6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.381 6.433 7.769 1.00 0.00 H new ATOM 1080 N ARG A 72 5.239 5.023 6.132 1.00 0.00 N ATOM 1081 CA ARG A 72 6.533 4.835 5.497 1.00 0.00 C ATOM 1082 C ARG A 72 6.353 4.485 4.018 1.00 0.00 C ATOM 1083 O ARG A 72 5.230 4.447 3.518 1.00 0.00 O ATOM 1084 CB ARG A 72 7.327 3.723 6.184 1.00 0.00 C ATOM 1085 CG ARG A 72 6.778 2.345 5.811 1.00 0.00 C ATOM 1086 CD ARG A 72 6.693 1.437 7.039 1.00 0.00 C ATOM 1087 NE ARG A 72 6.396 0.048 6.623 1.00 0.00 N ATOM 1088 CZ ARG A 72 7.258 -0.739 5.964 1.00 0.00 C ATOM 1089 NH1 ARG A 72 8.474 -0.278 5.642 1.00 0.00 N ATOM 1090 NH2 ARG A 72 6.903 -1.986 5.626 1.00 0.00 N ATOM 0 H ARG A 72 4.913 4.226 6.679 1.00 0.00 H new ATOM 0 HA ARG A 72 7.086 5.770 5.588 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.376 3.790 5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.283 3.855 7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.789 2.452 5.365 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.419 1.886 5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.633 1.467 7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.917 1.797 7.714 1.00 0.00 H new ATOM 0 HE ARG A 72 5.478 -0.334 6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.744 0.672 5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.130 -0.877 5.141 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.977 -2.336 5.870 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.559 -2.585 5.125 1.00 0.00 H new ATOM 1104 N PHE A 73 7.476 4.238 3.361 1.00 0.00 N ATOM 1105 CA PHE A 73 7.456 3.892 1.950 1.00 0.00 C ATOM 1106 C PHE A 73 7.948 2.460 1.729 1.00 0.00 C ATOM 1107 O PHE A 73 8.819 1.981 2.453 1.00 0.00 O ATOM 1108 CB PHE A 73 8.405 4.859 1.239 1.00 0.00 C ATOM 1109 CG PHE A 73 7.967 6.324 1.308 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.102 7.019 2.469 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.443 6.930 0.209 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.696 8.378 2.534 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.037 8.289 0.274 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.172 8.985 1.435 1.00 0.00 C ATOM 0 H PHE A 73 8.406 4.271 3.779 1.00 0.00 H new ATOM 0 HA PHE A 73 6.439 3.962 1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.398 4.766 1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.491 4.565 0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.518 6.537 3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.336 6.378 -0.713 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.803 8.930 3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.621 8.770 -0.599 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.863 10.019 1.484 1.00 0.00 H new ATOM 1124 N LEU A 74 7.368 1.817 0.726 1.00 0.00 N ATOM 1125 CA LEU A 74 7.736 0.449 0.401 1.00 0.00 C ATOM 1126 C LEU A 74 8.661 0.451 -0.817 1.00 0.00 C ATOM 1127 O LEU A 74 8.620 1.372 -1.632 1.00 0.00 O ATOM 1128 CB LEU A 74 6.486 -0.414 0.224 1.00 0.00 C ATOM 1129 CG LEU A 74 5.496 -0.411 1.391 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.202 -1.135 1.015 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.135 -0.995 2.653 1.00 0.00 C ATOM 0 H LEU A 74 6.646 2.218 0.128 1.00 0.00 H new ATOM 0 HA LEU A 74 8.292 -0.002 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.962 -0.080 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.801 -1.442 0.044 1.00 0.00 H new ATOM 0 HG LEU A 74 5.232 0.623 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.516 -1.118 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.740 -0.635 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.427 -2.168 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.411 -0.981 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.446 -2.022 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.004 -0.398 2.930 1.00 0.00 H new ATOM 1143 N HIS A 75 9.474 -0.592 -0.904 1.00 0.00 N ATOM 1144 CA HIS A 75 10.407 -0.723 -2.010 1.00 0.00 C ATOM 1145 C HIS A 75 9.653 -1.149 -3.271 1.00 0.00 C ATOM 1146 O HIS A 75 8.536 -1.656 -3.189 1.00 0.00 O ATOM 1147 CB HIS A 75 11.546 -1.679 -1.650 1.00 0.00 C ATOM 1148 CG HIS A 75 12.918 -1.168 -2.023 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.596 -1.597 -3.150 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.729 -0.261 -1.407 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.762 -0.971 -3.200 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.843 -0.143 -2.119 1.00 0.00 N ATOM 0 H HIS A 75 9.506 -1.354 -0.227 1.00 0.00 H new ATOM 0 HA HIS A 75 10.871 0.242 -2.214 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.520 -1.871 -0.577 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.377 -2.633 -2.149 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.503 0.271 -0.495 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.516 -1.094 -3.963 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.630 0.466 -1.895 1.00 0.00 H new ATOM 1160 N GLY A 76 10.294 -0.926 -4.409 1.00 0.00 N ATOM 1161 CA GLY A 76 9.698 -1.280 -5.686 1.00 0.00 C ATOM 1162 C GLY A 76 9.857 -2.775 -5.970 1.00 0.00 C ATOM 1163 O GLY A 76 9.097 -3.347 -6.749 1.00 0.00 O ATOM 0 H GLY A 76 11.221 -0.504 -4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.640 -1.017 -5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.167 -0.703 -6.483 1.00 0.00 H new ATOM 1167 N ASN A 77 10.851 -3.365 -5.321 1.00 0.00 N ATOM 1168 CA ASN A 77 11.120 -4.783 -5.494 1.00 0.00 C ATOM 1169 C ASN A 77 10.303 -5.580 -4.476 1.00 0.00 C ATOM 1170 O ASN A 77 10.145 -6.792 -4.614 1.00 0.00 O ATOM 1171 CB ASN A 77 12.599 -5.095 -5.262 1.00 0.00 C ATOM 1172 CG ASN A 77 13.208 -5.800 -6.476 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.560 -6.028 -7.484 1.00 0.00 O ATOM 1174 ND2 ASN A 77 14.487 -6.131 -6.323 1.00 0.00 N ATOM 0 H ASN A 77 11.479 -2.887 -4.675 1.00 0.00 H new ATOM 0 HA ASN A 77 10.850 -5.056 -6.514 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.142 -4.171 -5.063 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.707 -5.725 -4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.985 -6.605 -7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.970 -5.910 -5.452 1.00 0.00 H new ATOM 1181 N VAL A 78 9.805 -4.868 -3.476 1.00 0.00 N ATOM 1182 CA VAL A 78 9.008 -5.494 -2.435 1.00 0.00 C ATOM 1183 C VAL A 78 7.764 -6.127 -3.062 1.00 0.00 C ATOM 1184 O VAL A 78 7.258 -5.641 -4.073 1.00 0.00 O ATOM 1185 CB VAL A 78 8.674 -4.473 -1.346 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.454 -4.915 -0.535 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.879 -4.230 -0.434 1.00 0.00 C ATOM 0 H VAL A 78 9.938 -3.863 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 78 9.571 -6.292 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 78 8.428 -3.531 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.238 -4.171 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.594 -5.014 -1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.660 -5.875 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.615 -3.500 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.169 -5.166 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.712 -3.850 -1.025 1.00 0.00 H new ATOM 1197 N THR A 79 7.307 -7.202 -2.437 1.00 0.00 N ATOM 1198 CA THR A 79 6.132 -7.907 -2.921 1.00 0.00 C ATOM 1199 C THR A 79 5.249 -8.339 -1.749 1.00 0.00 C ATOM 1200 O THR A 79 5.751 -8.799 -0.725 1.00 0.00 O ATOM 1201 CB THR A 79 6.605 -9.075 -3.788 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.215 -9.970 -2.862 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.744 -8.680 -4.731 1.00 0.00 C ATOM 0 H THR A 79 7.729 -7.602 -1.599 1.00 0.00 H new ATOM 0 HA THR A 79 5.508 -7.259 -3.536 1.00 0.00 H new ATOM 0 HB THR A 79 5.767 -9.457 -4.371 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.549 -10.758 -3.340 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.042 -9.545 -5.324 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.407 -7.884 -5.395 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.595 -8.329 -4.147 1.00 0.00 H new ATOM 1211 N LEU A 80 3.947 -8.176 -1.938 1.00 0.00 N ATOM 1212 CA LEU A 80 2.989 -8.544 -0.910 1.00 0.00 C ATOM 1213 C LEU A 80 3.430 -9.854 -0.254 1.00 0.00 C ATOM 1214 O LEU A 80 3.191 -10.068 0.934 1.00 0.00 O ATOM 1215 CB LEU A 80 1.574 -8.591 -1.488 1.00 0.00 C ATOM 1216 CG LEU A 80 0.886 -7.239 -1.690 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.476 -7.413 -2.365 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.778 -6.476 -0.369 1.00 0.00 C ATOM 0 H LEU A 80 3.534 -7.794 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 80 2.962 -7.788 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.612 -9.104 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.953 -9.197 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 80 1.502 -6.638 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.944 -6.437 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.342 -7.886 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.114 -8.040 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.285 -5.519 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.196 -7.061 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.776 -6.303 0.034 1.00 0.00 H new ATOM 1230 N GLY A 81 4.065 -10.696 -1.055 1.00 0.00 N ATOM 1231 CA GLY A 81 4.541 -11.979 -0.567 1.00 0.00 C ATOM 1232 C GLY A 81 5.527 -11.795 0.588 1.00 0.00 C ATOM 1233 O GLY A 81 5.358 -12.386 1.653 1.00 0.00 O ATOM 0 H GLY A 81 4.261 -10.515 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.696 -12.582 -0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.023 -12.524 -1.378 1.00 0.00 H new ATOM 1237 N ALA A 82 6.535 -10.972 0.338 1.00 0.00 N ATOM 1238 CA ALA A 82 7.548 -10.703 1.344 1.00 0.00 C ATOM 1239 C ALA A 82 6.912 -9.948 2.513 1.00 0.00 C ATOM 1240 O ALA A 82 7.429 -9.974 3.629 1.00 0.00 O ATOM 1241 CB ALA A 82 8.704 -9.928 0.709 1.00 0.00 C ATOM 0 H ALA A 82 6.672 -10.483 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 82 7.956 -11.634 1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.464 -9.726 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.140 -10.520 -0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.333 -8.986 0.307 1.00 0.00 H new ATOM 1247 N LEU A 83 5.799 -9.292 2.217 1.00 0.00 N ATOM 1248 CA LEU A 83 5.087 -8.531 3.229 1.00 0.00 C ATOM 1249 C LEU A 83 4.221 -9.480 4.059 1.00 0.00 C ATOM 1250 O LEU A 83 3.573 -9.059 5.016 1.00 0.00 O ATOM 1251 CB LEU A 83 4.302 -7.386 2.585 1.00 0.00 C ATOM 1252 CG LEU A 83 5.138 -6.274 1.949 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.243 -5.162 1.399 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.178 -5.738 2.934 1.00 0.00 C ATOM 0 H LEU A 83 5.373 -9.272 1.290 1.00 0.00 H new ATOM 0 HA LEU A 83 5.790 -8.058 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.649 -7.805 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.659 -6.941 3.344 1.00 0.00 H new ATOM 0 HG LEU A 83 5.683 -6.697 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.862 -4.384 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.575 -5.573 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.653 -4.735 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.759 -4.949 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.674 -5.336 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.844 -6.546 3.236 1.00 0.00 H new ATOM 1266 N LYS A 84 4.236 -10.744 3.662 1.00 0.00 N ATOM 1267 CA LYS A 84 3.460 -11.757 4.358 1.00 0.00 C ATOM 1268 C LYS A 84 2.186 -11.122 4.916 1.00 0.00 C ATOM 1269 O LYS A 84 1.819 -11.363 6.066 1.00 0.00 O ATOM 1270 CB LYS A 84 4.316 -12.453 5.418 1.00 0.00 C ATOM 1271 CG LYS A 84 5.011 -11.431 6.320 1.00 0.00 C ATOM 1272 CD LYS A 84 4.046 -10.883 7.372 1.00 0.00 C ATOM 1273 CE LYS A 84 4.807 -10.301 8.565 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.869 -9.928 9.647 1.00 0.00 N ATOM 0 H LYS A 84 4.773 -11.090 2.867 1.00 0.00 H new ATOM 0 HA LYS A 84 3.150 -12.541 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.690 -13.110 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.062 -13.082 4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.865 -11.896 6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.399 -10.611 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.417 -10.112 6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.383 -11.679 7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.527 -11.031 8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.374 -9.425 8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.402 -9.535 10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.198 -9.216 9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.346 -10.771 9.959 1.00 0.00 H new ATOM 1288 N LEU A 85 1.545 -10.321 4.077 1.00 0.00 N ATOM 1289 CA LEU A 85 0.318 -9.649 4.473 1.00 0.00 C ATOM 1290 C LEU A 85 -0.809 -10.678 4.584 1.00 0.00 C ATOM 1291 O LEU A 85 -0.808 -11.684 3.876 1.00 0.00 O ATOM 1292 CB LEU A 85 0.007 -8.496 3.517 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.020 -7.098 4.138 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.106 -6.931 5.160 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.021 -6.017 3.057 1.00 0.00 C ATOM 0 H LEU A 85 1.852 -10.122 3.125 1.00 0.00 H new ATOM 0 HA LEU A 85 0.432 -9.194 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.749 -8.503 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.962 -8.685 3.054 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.962 -6.980 4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.065 -5.929 5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.989 -7.668 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.068 -7.077 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.001 -5.033 3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.935 -6.122 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.843 -6.125 2.402 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.768 -10.383 5.502 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.899 -11.270 5.715 1.00 0.00 C ATOM 1309 C PRO A 86 -3.909 -11.156 4.571 1.00 0.00 C ATOM 1310 O PRO A 86 -4.280 -10.052 4.175 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.475 -10.858 7.059 1.00 0.00 C ATOM 1312 CG PRO A 86 -2.939 -9.462 7.332 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.802 -9.201 6.358 1.00 0.00 C ATOM 0 HA PRO A 86 -2.612 -12.322 5.725 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.565 -10.860 7.034 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.173 -11.553 7.843 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.727 -8.719 7.207 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.587 -9.383 8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.979 -8.296 5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.856 -9.064 6.882 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.324 -12.311 4.073 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.284 -12.354 2.983 1.00 0.00 C ATOM 1323 C PHE A 87 -6.688 -12.000 3.475 1.00 0.00 C ATOM 1324 O PHE A 87 -6.921 -11.896 4.678 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.290 -13.788 2.448 1.00 0.00 C ATOM 1326 CG PHE A 87 -3.955 -14.233 1.847 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.181 -13.340 1.174 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.543 -15.522 1.985 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -1.942 -13.753 0.615 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.305 -15.935 1.426 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.531 -15.042 0.754 1.00 0.00 C ATOM 0 H PHE A 87 -4.013 -13.224 4.404 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.006 -11.634 2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.556 -14.466 3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.067 -13.879 1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.508 -12.317 1.064 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.158 -16.231 2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.327 -13.044 0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.978 -16.959 1.535 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.589 -15.356 0.330 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.589 -11.825 2.519 1.00 0.00 N ATOM 1342 CA GLY A 88 -8.965 -11.485 2.840 1.00 0.00 C ATOM 1343 C GLY A 88 -9.026 -10.295 3.799 1.00 0.00 C ATOM 1344 O GLY A 88 -9.912 -10.223 4.649 1.00 0.00 O ATOM 0 H GLY A 88 -7.393 -11.912 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.508 -11.247 1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.460 -12.345 3.290 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.072 -9.391 3.632 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.006 -8.207 4.472 1.00 0.00 C ATOM 1350 C LYS A 89 -7.804 -6.972 3.592 1.00 0.00 C ATOM 1351 O LYS A 89 -7.686 -7.087 2.373 1.00 0.00 O ATOM 1352 CB LYS A 89 -6.934 -8.376 5.551 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.459 -9.213 6.720 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.473 -8.398 8.015 1.00 0.00 C ATOM 1355 CE LYS A 89 -8.011 -9.231 9.180 1.00 0.00 C ATOM 1356 NZ LYS A 89 -8.041 -8.426 10.422 1.00 0.00 N ATOM 0 H LYS A 89 -7.338 -9.455 2.927 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.945 -8.066 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.054 -8.855 5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.619 -7.397 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.466 -9.565 6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.834 -10.097 6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.464 -8.055 8.244 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.090 -7.509 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.014 -9.588 8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.385 -10.111 9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.409 -9.006 11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.078 -8.106 10.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.657 -7.599 10.285 1.00 0.00 H new ATOM 1370 N THR A 90 -7.769 -5.820 4.245 1.00 0.00 N ATOM 1371 CA THR A 90 -7.583 -4.564 3.537 1.00 0.00 C ATOM 1372 C THR A 90 -6.517 -3.714 4.229 1.00 0.00 C ATOM 1373 O THR A 90 -6.567 -3.516 5.442 1.00 0.00 O ATOM 1374 CB THR A 90 -8.944 -3.871 3.439 1.00 0.00 C ATOM 1375 OG1 THR A 90 -9.723 -4.748 2.631 1.00 0.00 O ATOM 1376 CG2 THR A 90 -8.883 -2.574 2.629 1.00 0.00 C ATOM 0 H THR A 90 -7.866 -5.729 5.256 1.00 0.00 H new ATOM 0 HA THR A 90 -7.213 -4.731 2.525 1.00 0.00 H new ATOM 0 HB THR A 90 -9.315 -3.656 4.441 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.622 -4.376 2.517 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.874 -2.122 2.590 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.187 -1.882 3.103 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.544 -2.793 1.616 1.00 0.00 H new ATOM 1384 N THR A 91 -5.576 -3.235 3.429 1.00 0.00 N ATOM 1385 CA THR A 91 -4.499 -2.411 3.950 1.00 0.00 C ATOM 1386 C THR A 91 -4.620 -0.979 3.424 1.00 0.00 C ATOM 1387 O THR A 91 -5.210 -0.750 2.369 1.00 0.00 O ATOM 1388 CB THR A 91 -3.172 -3.081 3.587 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.128 -4.237 4.419 1.00 0.00 O ATOM 1390 CG2 THR A 91 -1.960 -2.258 4.028 1.00 0.00 C ATOM 0 H THR A 91 -5.537 -3.402 2.423 1.00 0.00 H new ATOM 0 HA THR A 91 -4.553 -2.331 5.036 1.00 0.00 H new ATOM 0 HB THR A 91 -3.129 -3.241 2.510 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.300 -4.732 4.247 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.045 -2.779 3.746 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.987 -1.282 3.543 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.984 -2.126 5.110 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.052 -0.054 4.183 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.089 1.349 3.807 1.00 0.00 C ATOM 1400 C VAL A 92 -2.736 1.751 3.217 1.00 0.00 C ATOM 1401 O VAL A 92 -1.701 1.589 3.862 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.494 2.203 5.010 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.332 3.694 4.703 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -5.925 1.887 5.450 1.00 0.00 C ATOM 0 H VAL A 92 -3.563 -0.249 5.057 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.842 1.518 3.037 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.827 1.956 5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.627 4.279 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.290 3.904 4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.964 3.962 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.188 2.508 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.612 2.092 4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.996 0.836 5.728 1.00 0.00 H new ATOM 1414 N MET A 93 -2.787 2.267 1.998 1.00 0.00 N ATOM 1415 CA MET A 93 -1.578 2.693 1.314 1.00 0.00 C ATOM 1416 C MET A 93 -1.810 3.999 0.552 1.00 0.00 C ATOM 1417 O MET A 93 -2.879 4.207 -0.019 1.00 0.00 O ATOM 1418 CB MET A 93 -1.134 1.603 0.336 1.00 0.00 C ATOM 1419 CG MET A 93 -0.655 0.357 1.083 1.00 0.00 C ATOM 1420 SD MET A 93 0.228 -0.722 -0.031 1.00 0.00 S ATOM 1421 CE MET A 93 0.837 -1.934 1.129 1.00 0.00 C ATOM 0 H MET A 93 -3.647 2.400 1.466 1.00 0.00 H new ATOM 0 HA MET A 93 -0.802 2.863 2.060 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.962 1.341 -0.322 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.332 1.982 -0.297 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.008 0.646 1.911 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.507 -0.169 1.513 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.723 -2.418 0.718 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.094 -1.442 2.067 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.066 -2.683 1.311 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.790 4.845 0.569 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.870 6.126 -0.113 1.00 0.00 C ATOM 1433 C HIS A 94 0.018 6.100 -1.359 1.00 0.00 C ATOM 1434 O HIS A 94 1.006 5.369 -1.406 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.522 7.271 0.839 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.685 7.751 1.674 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.188 7.031 2.743 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.438 8.885 1.586 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -3.198 7.709 3.267 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.352 8.858 2.548 1.00 0.00 N ATOM 0 H HIS A 94 0.095 4.669 1.044 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.894 6.303 -0.442 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.279 6.947 1.503 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.135 8.108 0.258 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -1.840 6.130 3.072 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.312 9.672 0.857 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.795 7.406 4.114 1.00 0.00 H new ATOM 1448 N LEU A 95 -0.365 6.907 -2.337 1.00 0.00 N ATOM 1449 CA LEU A 95 0.384 6.986 -3.579 1.00 0.00 C ATOM 1450 C LEU A 95 1.003 8.380 -3.709 1.00 0.00 C ATOM 1451 O LEU A 95 0.444 9.359 -3.217 1.00 0.00 O ATOM 1452 CB LEU A 95 -0.500 6.594 -4.764 1.00 0.00 C ATOM 1453 CG LEU A 95 0.215 5.932 -5.944 1.00 0.00 C ATOM 1454 CD1 LEU A 95 -0.791 5.325 -6.924 1.00 0.00 C ATOM 1455 CD2 LEU A 95 1.163 6.915 -6.632 1.00 0.00 C ATOM 0 H LEU A 95 -1.185 7.512 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 95 1.206 6.270 -3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.273 5.914 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.005 7.489 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 95 0.824 5.114 -5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.257 4.861 -7.753 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.390 4.572 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.444 6.109 -7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.658 6.419 -7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.596 7.769 -7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.912 7.258 -5.918 1.00 0.00 H new ATOM 1467 N VAL A 96 2.149 8.424 -4.373 1.00 0.00 N ATOM 1468 CA VAL A 96 2.849 9.681 -4.574 1.00 0.00 C ATOM 1469 C VAL A 96 3.576 9.646 -5.919 1.00 0.00 C ATOM 1470 O VAL A 96 3.854 8.572 -6.451 1.00 0.00 O ATOM 1471 CB VAL A 96 3.787 9.951 -3.395 1.00 0.00 C ATOM 1472 CG1 VAL A 96 2.995 10.173 -2.104 1.00 0.00 C ATOM 1473 CG2 VAL A 96 4.800 8.817 -3.229 1.00 0.00 C ATOM 0 H VAL A 96 2.610 7.609 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 96 2.142 10.510 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 96 4.341 10.865 -3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.685 10.363 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.332 11.030 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.403 9.285 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.454 9.034 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.272 7.881 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.397 8.727 -4.136 1.00 0.00 H new ATOM 1483 N ALA A 97 3.864 10.833 -6.432 1.00 0.00 N ATOM 1484 CA ALA A 97 4.553 10.952 -7.705 1.00 0.00 C ATOM 1485 C ALA A 97 5.729 11.919 -7.556 1.00 0.00 C ATOM 1486 O ALA A 97 5.532 13.113 -7.335 1.00 0.00 O ATOM 1487 CB ALA A 97 3.563 11.401 -8.782 1.00 0.00 C ATOM 0 H ALA A 97 3.632 11.722 -5.988 1.00 0.00 H new ATOM 0 HA ALA A 97 4.956 9.988 -8.014 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.080 11.490 -9.737 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.763 10.666 -8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.140 12.367 -8.507 1.00 0.00 H new ATOM 1493 N ARG A 98 6.927 11.367 -7.682 1.00 0.00 N ATOM 1494 CA ARG A 98 8.135 12.165 -7.563 1.00 0.00 C ATOM 1495 C ARG A 98 9.372 11.265 -7.596 1.00 0.00 C ATOM 1496 O ARG A 98 9.266 10.052 -7.421 1.00 0.00 O ATOM 1497 CB ARG A 98 8.136 12.973 -6.264 1.00 0.00 C ATOM 1498 CG ARG A 98 8.320 14.466 -6.547 1.00 0.00 C ATOM 1499 CD ARG A 98 9.485 15.038 -5.738 1.00 0.00 C ATOM 1500 NE ARG A 98 9.439 16.517 -5.761 1.00 0.00 N ATOM 1501 CZ ARG A 98 9.731 17.261 -6.836 1.00 0.00 C ATOM 1502 NH1 ARG A 98 10.091 16.669 -7.983 1.00 0.00 N ATOM 1503 NH2 ARG A 98 9.662 18.598 -6.765 1.00 0.00 N ATOM 0 H ARG A 98 7.087 10.376 -7.865 1.00 0.00 H new ATOM 0 HA ARG A 98 8.160 12.855 -8.407 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.199 12.813 -5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.937 12.621 -5.613 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.502 14.618 -7.611 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.404 15.002 -6.300 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.435 14.680 -4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.431 14.689 -6.151 1.00 0.00 H new ATOM 0 HE ARG A 98 9.168 17.000 -4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.143 15.652 -8.038 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.313 17.236 -8.801 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.387 19.049 -5.892 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.884 19.164 -7.584 1.00 0.00 H new ATOM 1517 N GLU A 99 10.516 11.893 -7.822 1.00 0.00 N ATOM 1518 CA GLU A 99 11.772 11.164 -7.880 1.00 0.00 C ATOM 1519 C GLU A 99 12.369 11.022 -6.478 1.00 0.00 C ATOM 1520 O GLU A 99 13.292 10.236 -6.270 1.00 0.00 O ATOM 1521 CB GLU A 99 12.759 11.846 -8.830 1.00 0.00 C ATOM 1522 CG GLU A 99 13.789 10.847 -9.359 1.00 0.00 C ATOM 1523 CD GLU A 99 15.125 11.538 -9.646 1.00 0.00 C ATOM 1524 OE1 GLU A 99 15.584 12.278 -8.750 1.00 0.00 O ATOM 1525 OE2 GLU A 99 15.655 11.309 -10.754 1.00 0.00 O ATOM 0 H GLU A 99 10.600 12.899 -7.967 1.00 0.00 H new ATOM 0 HA GLU A 99 11.573 10.166 -8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.217 12.292 -9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.268 12.658 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.937 10.050 -8.630 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.414 10.380 -10.270 1.00 0.00 H new ATOM 1532 N THR A 100 11.817 11.794 -5.554 1.00 0.00 N ATOM 1533 CA THR A 100 12.283 11.764 -4.178 1.00 0.00 C ATOM 1534 C THR A 100 13.781 12.070 -4.116 1.00 0.00 C ATOM 1535 O THR A 100 14.480 11.978 -5.124 1.00 0.00 O ATOM 1536 CB THR A 100 11.916 10.404 -3.584 1.00 0.00 C ATOM 1537 OG1 THR A 100 13.106 9.632 -3.719 1.00 0.00 O ATOM 1538 CG2 THR A 100 10.887 9.653 -4.432 1.00 0.00 C ATOM 0 H THR A 100 11.051 12.444 -5.731 1.00 0.00 H new ATOM 0 HA THR A 100 11.800 12.537 -3.580 1.00 0.00 H new ATOM 0 HB THR A 100 11.525 10.543 -2.576 1.00 0.00 H new ATOM 0 HG1 THR A 100 13.309 9.507 -4.670 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.662 8.694 -3.966 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.974 10.244 -4.505 1.00 0.00 H new ATOM 0 HG23 THR A 100 11.291 9.485 -5.430 1.00 0.00 H new ATOM 1546 N LEU A 101 14.231 12.427 -2.922 1.00 0.00 N ATOM 1547 CA LEU A 101 15.633 12.747 -2.715 1.00 0.00 C ATOM 1548 C LEU A 101 16.499 11.646 -3.331 1.00 0.00 C ATOM 1549 O LEU A 101 16.057 10.506 -3.465 1.00 0.00 O ATOM 1550 CB LEU A 101 15.913 12.992 -1.231 1.00 0.00 C ATOM 1551 CG LEU A 101 15.102 14.109 -0.571 1.00 0.00 C ATOM 1552 CD1 LEU A 101 15.159 14.000 0.954 1.00 0.00 C ATOM 1553 CD2 LEU A 101 15.560 15.483 -1.064 1.00 0.00 C ATOM 0 H LEU A 101 13.649 12.502 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 101 15.891 13.677 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.726 12.065 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.972 13.222 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 101 14.059 13.992 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 101 14.575 14.806 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.749 13.039 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 101 16.194 14.077 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 101 14.968 16.259 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 101 16.613 15.625 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.426 15.545 -2.144 1.00 0.00 H new ATOM 1565 N PRO A 102 17.749 12.036 -3.698 1.00 0.00 N ATOM 1566 CA PRO A 102 18.680 11.096 -4.297 1.00 0.00 C ATOM 1567 C PRO A 102 19.250 10.143 -3.244 1.00 0.00 C ATOM 1568 O PRO A 102 19.140 8.925 -3.379 1.00 0.00 O ATOM 1569 CB PRO A 102 19.745 11.960 -4.953 1.00 0.00 C ATOM 1570 CG PRO A 102 19.626 13.330 -4.307 1.00 0.00 C ATOM 1571 CD PRO A 102 18.306 13.378 -3.554 1.00 0.00 C ATOM 0 HA PRO A 102 18.206 10.445 -5.032 1.00 0.00 H new ATOM 0 HB2 PRO A 102 20.739 11.540 -4.798 1.00 0.00 H new ATOM 0 HB3 PRO A 102 19.589 12.021 -6.030 1.00 0.00 H new ATOM 0 HG2 PRO A 102 20.460 13.505 -3.627 1.00 0.00 H new ATOM 0 HG3 PRO A 102 19.662 14.113 -5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 102 18.457 13.634 -2.505 1.00 0.00 H new ATOM 0 HD3 PRO A 102 17.638 14.131 -3.973 1.00 0.00 H new ATOM 1579 N GLU A 103 19.845 10.733 -2.218 1.00 0.00 N ATOM 1580 CA GLU A 103 20.432 9.952 -1.143 1.00 0.00 C ATOM 1581 C GLU A 103 21.398 8.909 -1.710 1.00 0.00 C ATOM 1582 O GLU A 103 21.481 8.730 -2.924 1.00 0.00 O ATOM 1583 CB GLU A 103 19.347 9.288 -0.292 1.00 0.00 C ATOM 1584 CG GLU A 103 19.262 9.936 1.091 1.00 0.00 C ATOM 1585 CD GLU A 103 17.811 10.242 1.466 1.00 0.00 C ATOM 1586 OE1 GLU A 103 17.140 10.901 0.642 1.00 0.00 O ATOM 1587 OE2 GLU A 103 17.405 9.810 2.566 1.00 0.00 O ATOM 0 H GLU A 103 19.933 11.743 -2.108 1.00 0.00 H new ATOM 0 HA GLU A 103 20.994 10.626 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 103 18.384 9.370 -0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 103 19.562 8.225 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 103 19.701 9.272 1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 103 19.846 10.856 1.102 1.00 0.00 H new ATOM 1594 N PRO A 104 22.124 8.232 -0.780 1.00 0.00 N ATOM 1595 CA PRO A 104 23.081 7.213 -1.174 1.00 0.00 C ATOM 1596 C PRO A 104 22.369 5.929 -1.604 1.00 0.00 C ATOM 1597 O PRO A 104 22.484 4.899 -0.941 1.00 0.00 O ATOM 1598 CB PRO A 104 23.973 7.019 0.041 1.00 0.00 C ATOM 1599 CG PRO A 104 23.202 7.592 1.219 1.00 0.00 C ATOM 1600 CD PRO A 104 22.052 8.418 0.667 1.00 0.00 C ATOM 0 HA PRO A 104 23.672 7.505 -2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.197 5.964 0.197 1.00 0.00 H new ATOM 0 HB3 PRO A 104 24.926 7.531 -0.088 1.00 0.00 H new ATOM 0 HG2 PRO A 104 22.825 6.791 1.855 1.00 0.00 H new ATOM 0 HG3 PRO A 104 23.853 8.210 1.837 1.00 0.00 H new ATOM 0 HD2 PRO A 104 21.095 8.079 1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 104 22.154 9.469 0.937 1.00 0.00 H new ATOM 1608 N ASN A 105 21.648 6.032 -2.711 1.00 0.00 N ATOM 1609 CA ASN A 105 20.917 4.892 -3.237 1.00 0.00 C ATOM 1610 C ASN A 105 21.900 3.918 -3.889 1.00 0.00 C ATOM 1611 O ASN A 105 22.880 4.337 -4.502 1.00 0.00 O ATOM 1612 CB ASN A 105 19.907 5.328 -4.301 1.00 0.00 C ATOM 1613 CG ASN A 105 18.664 4.437 -4.275 1.00 0.00 C ATOM 1614 OD1 ASN A 105 18.695 3.295 -3.848 1.00 0.00 O ATOM 1615 ND2 ASN A 105 17.569 5.022 -4.753 1.00 0.00 N ATOM 0 H ASN A 105 21.555 6.888 -3.258 1.00 0.00 H new ATOM 0 HA ASN A 105 20.387 4.420 -2.409 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.619 6.365 -4.131 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.370 5.284 -5.287 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.687 4.511 -4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.612 5.982 -5.095 1.00 0.00 H new ATOM 1622 N SER A 106 21.604 2.636 -3.733 1.00 0.00 N ATOM 1623 CA SER A 106 22.450 1.598 -4.299 1.00 0.00 C ATOM 1624 C SER A 106 23.876 1.736 -3.762 1.00 0.00 C ATOM 1625 O SER A 106 24.211 2.735 -3.129 1.00 0.00 O ATOM 1626 CB SER A 106 22.450 1.661 -5.828 1.00 0.00 C ATOM 1627 OG SER A 106 21.316 1.005 -6.389 1.00 0.00 O ATOM 0 H SER A 106 20.790 2.292 -3.223 1.00 0.00 H new ATOM 0 HA SER A 106 22.049 0.629 -4.002 1.00 0.00 H new ATOM 0 HB2 SER A 106 22.461 2.703 -6.148 1.00 0.00 H new ATOM 0 HB3 SER A 106 23.361 1.200 -6.210 1.00 0.00 H new ATOM 0 HG SER A 106 21.352 1.069 -7.366 1.00 0.00 H new ATOM 1633 N GLN A 107 24.677 0.716 -4.035 1.00 0.00 N ATOM 1634 CA GLN A 107 26.060 0.711 -3.587 1.00 0.00 C ATOM 1635 C GLN A 107 26.123 0.646 -2.060 1.00 0.00 C ATOM 1636 O GLN A 107 25.799 1.619 -1.380 1.00 0.00 O ATOM 1637 CB GLN A 107 26.812 1.933 -4.116 1.00 0.00 C ATOM 1638 CG GLN A 107 27.789 1.538 -5.226 1.00 0.00 C ATOM 1639 CD GLN A 107 28.679 2.719 -5.618 1.00 0.00 C ATOM 1640 OE1 GLN A 107 28.236 3.848 -5.749 1.00 0.00 O ATOM 1641 NE2 GLN A 107 29.957 2.397 -5.799 1.00 0.00 N ATOM 0 H GLN A 107 24.395 -0.112 -4.560 1.00 0.00 H new ATOM 0 HA GLN A 107 26.549 -0.177 -3.989 1.00 0.00 H new ATOM 0 HB2 GLN A 107 26.100 2.666 -4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 107 27.356 2.411 -3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 107 28.409 0.706 -4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 107 27.234 1.191 -6.098 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.263 1.432 -5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 107 30.631 3.115 -6.064 1.00 0.00 H new ATOM 1650 N GLY A 108 26.543 -0.509 -1.565 1.00 0.00 N ATOM 1651 CA GLY A 108 26.652 -0.713 -0.131 1.00 0.00 C ATOM 1652 C GLY A 108 26.623 -2.203 0.215 1.00 0.00 C ATOM 1653 O GLY A 108 25.565 -2.752 0.520 1.00 0.00 O ATOM 0 H GLY A 108 26.812 -1.313 -2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 108 27.579 -0.269 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 108 25.833 -0.202 0.376 1.00 0.00 H new ATOM 1657 N GLN A 109 27.796 -2.815 0.156 1.00 0.00 N ATOM 1658 CA GLN A 109 27.918 -4.231 0.459 1.00 0.00 C ATOM 1659 C GLN A 109 29.351 -4.561 0.883 1.00 0.00 C ATOM 1660 O GLN A 109 30.260 -3.757 0.690 1.00 0.00 O ATOM 1661 CB GLN A 109 27.489 -5.086 -0.734 1.00 0.00 C ATOM 1662 CG GLN A 109 28.440 -4.894 -1.917 1.00 0.00 C ATOM 1663 CD GLN A 109 29.101 -6.217 -2.309 1.00 0.00 C ATOM 1664 OE1 GLN A 109 28.579 -7.295 -2.076 1.00 0.00 O ATOM 1665 NE2 GLN A 109 30.276 -6.075 -2.916 1.00 0.00 N ATOM 0 H GLN A 109 28.671 -2.356 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 109 27.251 -4.464 1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 109 27.470 -6.137 -0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 109 26.475 -4.819 -1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 109 27.891 -4.491 -2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 109 29.206 -4.163 -1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 109 30.656 -5.143 -3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 109 30.797 -6.898 -3.217 1.00 0.00 H new ATOM 1674 N ARG A 110 29.506 -5.747 1.454 1.00 0.00 N ATOM 1675 CA ARG A 110 30.812 -6.194 1.907 1.00 0.00 C ATOM 1676 C ARG A 110 30.734 -7.637 2.411 1.00 0.00 C ATOM 1677 O ARG A 110 29.729 -8.040 2.995 1.00 0.00 O ATOM 1678 CB ARG A 110 31.343 -5.297 3.027 1.00 0.00 C ATOM 1679 CG ARG A 110 32.872 -5.250 3.013 1.00 0.00 C ATOM 1680 CD ARG A 110 33.378 -4.141 2.088 1.00 0.00 C ATOM 1681 NE ARG A 110 34.336 -4.697 1.107 1.00 0.00 N ATOM 1682 CZ ARG A 110 34.916 -3.981 0.134 1.00 0.00 C ATOM 1683 NH1 ARG A 110 34.639 -2.676 0.007 1.00 0.00 N ATOM 1684 NH2 ARG A 110 35.773 -4.570 -0.711 1.00 0.00 N ATOM 0 H ARG A 110 28.749 -6.412 1.613 1.00 0.00 H new ATOM 0 HA ARG A 110 31.494 -6.139 1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 110 30.944 -4.289 2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 110 30.996 -5.669 3.991 1.00 0.00 H new ATOM 0 HG2 ARG A 110 33.244 -5.083 4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 110 33.266 -6.211 2.683 1.00 0.00 H new ATOM 0 HD2 ARG A 110 32.539 -3.679 1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 110 33.859 -3.358 2.675 1.00 0.00 H new ATOM 0 HE ARG A 110 34.570 -5.688 1.176 1.00 0.00 H new ATOM 0 HH11 ARG A 110 33.987 -2.228 0.651 1.00 0.00 H new ATOM 0 HH12 ARG A 110 35.080 -2.131 -0.733 1.00 0.00 H new ATOM 0 HH21 ARG A 110 35.984 -5.563 -0.614 1.00 0.00 H new ATOM 0 HH22 ARG A 110 36.215 -4.025 -1.452 1.00 0.00 H new ATOM 1698 N SER A 111 31.808 -8.374 2.168 1.00 0.00 N ATOM 1699 CA SER A 111 31.873 -9.763 2.590 1.00 0.00 C ATOM 1700 C SER A 111 33.242 -10.058 3.207 1.00 0.00 C ATOM 1701 O SER A 111 34.171 -9.262 3.075 1.00 0.00 O ATOM 1702 CB SER A 111 31.605 -10.708 1.417 1.00 0.00 C ATOM 1703 OG SER A 111 32.771 -10.924 0.627 1.00 0.00 O ATOM 0 H SER A 111 32.640 -8.036 1.684 1.00 0.00 H new ATOM 0 HA SER A 111 31.100 -9.930 3.340 1.00 0.00 H new ATOM 0 HB2 SER A 111 31.243 -11.663 1.797 1.00 0.00 H new ATOM 0 HB3 SER A 111 30.815 -10.293 0.791 1.00 0.00 H new ATOM 0 HG SER A 111 32.558 -11.534 -0.110 1.00 0.00 H new ATOM 1709 N GLY A 112 33.323 -11.204 3.867 1.00 0.00 N ATOM 1710 CA GLY A 112 34.563 -11.614 4.504 1.00 0.00 C ATOM 1711 C GLY A 112 34.355 -11.860 6.000 1.00 0.00 C ATOM 1712 O GLY A 112 33.323 -12.391 6.408 1.00 0.00 O ATOM 0 H GLY A 112 32.550 -11.861 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 112 34.936 -12.522 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 112 35.322 -10.845 4.360 1.00 0.00 H new ATOM 1716 N PRO A 113 35.378 -11.452 6.797 1.00 0.00 N ATOM 1717 CA PRO A 113 35.317 -11.623 8.239 1.00 0.00 C ATOM 1718 C PRO A 113 34.370 -10.602 8.873 1.00 0.00 C ATOM 1719 O PRO A 113 33.886 -9.696 8.197 1.00 0.00 O ATOM 1720 CB PRO A 113 36.754 -11.475 8.714 1.00 0.00 C ATOM 1721 CG PRO A 113 37.494 -10.770 7.589 1.00 0.00 C ATOM 1722 CD PRO A 113 36.615 -10.820 6.350 1.00 0.00 C ATOM 0 HA PRO A 113 34.913 -12.592 8.531 1.00 0.00 H new ATOM 0 HB2 PRO A 113 36.803 -10.896 9.636 1.00 0.00 H new ATOM 0 HB3 PRO A 113 37.198 -12.448 8.924 1.00 0.00 H new ATOM 0 HG2 PRO A 113 37.710 -9.737 7.862 1.00 0.00 H new ATOM 0 HG3 PRO A 113 38.451 -11.256 7.398 1.00 0.00 H new ATOM 0 HD2 PRO A 113 36.429 -9.821 5.956 1.00 0.00 H new ATOM 0 HD3 PRO A 113 37.087 -11.394 5.553 1.00 0.00 H new ATOM 1730 N SER A 114 34.135 -10.783 10.164 1.00 0.00 N ATOM 1731 CA SER A 114 33.255 -9.889 10.897 1.00 0.00 C ATOM 1732 C SER A 114 34.078 -8.959 11.790 1.00 0.00 C ATOM 1733 O SER A 114 34.543 -9.365 12.854 1.00 0.00 O ATOM 1734 CB SER A 114 32.246 -10.675 11.737 1.00 0.00 C ATOM 1735 OG SER A 114 31.567 -11.665 10.968 1.00 0.00 O ATOM 0 H SER A 114 34.539 -11.536 10.721 1.00 0.00 H new ATOM 0 HA SER A 114 32.699 -9.291 10.175 1.00 0.00 H new ATOM 0 HB2 SER A 114 32.762 -11.153 12.569 1.00 0.00 H new ATOM 0 HB3 SER A 114 31.518 -9.987 12.166 1.00 0.00 H new ATOM 0 HG SER A 114 30.933 -12.146 11.540 1.00 0.00 H new ATOM 1741 N SER A 115 34.235 -7.728 11.324 1.00 0.00 N ATOM 1742 CA SER A 115 34.995 -6.738 12.067 1.00 0.00 C ATOM 1743 C SER A 115 36.437 -7.213 12.250 1.00 0.00 C ATOM 1744 O SER A 115 36.691 -8.413 12.350 1.00 0.00 O ATOM 1745 CB SER A 115 34.352 -6.457 13.426 1.00 0.00 C ATOM 1746 OG SER A 115 34.541 -5.106 13.838 1.00 0.00 O ATOM 0 H SER A 115 33.849 -7.394 10.441 1.00 0.00 H new ATOM 0 HA SER A 115 34.996 -5.809 11.496 1.00 0.00 H new ATOM 0 HB2 SER A 115 33.285 -6.674 13.374 1.00 0.00 H new ATOM 0 HB3 SER A 115 34.777 -7.127 14.174 1.00 0.00 H new ATOM 0 HG SER A 115 34.114 -4.967 14.709 1.00 0.00 H new ATOM 1752 N GLY A 116 37.345 -6.249 12.287 1.00 0.00 N ATOM 1753 CA GLY A 116 38.755 -6.554 12.456 1.00 0.00 C ATOM 1754 C GLY A 116 39.351 -7.123 11.167 1.00 0.00 C ATOM 1755 O GLY A 116 38.813 -8.069 10.595 1.00 0.00 O ATOM 0 H GLY A 116 37.131 -5.255 12.203 1.00 0.00 H new ATOM 0 HA2 GLY A 116 39.294 -5.651 12.743 1.00 0.00 H new ATOM 0 HA3 GLY A 116 38.881 -7.271 13.267 1.00 0.00 H new TER 1759 GLY A 116