USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 938 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 79 ASN :FLIP amide:sc= -0.037 F(o=-2.2,f=-0.91) USER MOD Set 1.2: A 81 HIS : no HD1:sc= -0.876 K(o=-0.91,f=-2.3!) USER MOD Set 2.1: A 76 THR OG1 : rot 180:sc= -1.69! USER MOD Set 2.2: A 93 ASN : amide:sc= 0 K(o=-1.7,f=-2.6) USER MOD Set 3.1: A 56 SER OG : rot 180:sc= -0.0545 USER MOD Set 3.2: A 58 GLN : amide:sc= -0.0232 X(o=-0.078,f=-0.15) USER MOD Set 4.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 31 MET CE :methyl 150:sc= -0.264 (180deg=-0.975) USER MOD Set 5.1: A 23 SER OG : rot -98:sc= 0.155 USER MOD Set 5.2: A 25 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 1 GLY N :NH3+ -108:sc= -0.0401 (180deg=-2.18!) USER MOD Single : A 5 SER OG : rot 51:sc= 0.781 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 145:sc= -2.69! (180deg=-5.05!) USER MOD Single : A 10 CYS SG : rot 95:sc= 1.23 USER MOD Single : A 12 SER OG : rot 148:sc=0.000442 USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= -0.0874 (180deg=-0.447) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.359 K(o=-0.36,f=-2.4!) USER MOD Single : A 21 CYS SG : rot 14:sc= 0.621 USER MOD Single : A 22 SER OG : rot 87:sc= 0.0589 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 54:sc= 0.359 USER MOD Single : A 44 ASN :FLIP amide:sc= -4.46! C(o=-8.9!,f=-4.5!) USER MOD Single : A 45 ASN : amide:sc= -2.32 K(o=-2.3,f=-12!) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0824 USER MOD Single : A 47 SER OG : rot 4:sc= 0.656 USER MOD Single : A 48 CYS SG : rot -35:sc= -0.0914 USER MOD Single : A 50 ASN : amide:sc=-0.00585 X(o=-0.0059,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.797 K(o=-0.8,f=-2.2) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.643 X(o=-0.64,f=-0.53!) USER MOD Single : A 62 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -100:sc= 1.17 USER MOD Single : A 67 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.14) USER MOD Single : A 68 ASN : amide:sc= -0.0595 X(o=-0.059,f=-0.059) USER MOD Single : A 70 MET CE :methyl 162:sc= -0.204 (180deg=-0.774) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot -18:sc= 0.095 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= -2.6! C(o=-2.6!,f=-4.6!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 141:sc= -2.29! (180deg=-4.66!) USER MOD Single : A 96 LYS NZ :NH3+ 152:sc= -1.7! (180deg=-3.09!) USER MOD Single : A 101 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.2) USER MOD Single : A 104 GLN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : A 111 GLN :FLIP amide:sc= -0.386 F(o=-2.4,f=-0.39) USER MOD Single : A 114 SER OG : rot 18:sc= 0.393 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 14:sc= 0.44 USER MOD Single : A 119 SER OG : rot -29:sc= 0.339 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -41.452 8.072 -8.150 1.00 0.00 N ATOM 2 CA GLY A 1 -42.771 8.680 -7.818 1.00 0.00 C ATOM 3 C GLY A 1 -43.673 8.812 -9.032 1.00 0.00 C ATOM 4 O GLY A 1 -43.188 8.975 -10.151 1.00 0.00 O ATOM 0 H1 GLY A 1 -41.410 7.105 -7.770 1.00 0.00 H new ATOM 0 H2 GLY A 1 -41.333 8.044 -9.183 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.691 8.642 -7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -43.269 8.070 -7.064 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -42.613 9.665 -7.378 1.00 0.00 H new ATOM 10 N PRO A 2 -45.002 8.743 -8.841 1.00 0.00 N ATOM 11 CA PRO A 2 -45.965 8.856 -9.939 1.00 0.00 C ATOM 12 C PRO A 2 -46.161 10.299 -10.397 1.00 0.00 C ATOM 13 O PRO A 2 -47.281 10.810 -10.407 1.00 0.00 O ATOM 14 CB PRO A 2 -47.251 8.309 -9.323 1.00 0.00 C ATOM 15 CG PRO A 2 -47.136 8.629 -7.873 1.00 0.00 C ATOM 16 CD PRO A 2 -45.669 8.546 -7.538 1.00 0.00 C ATOM 0 HA PRO A 2 -45.638 8.322 -10.831 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -48.132 8.776 -9.764 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -47.344 7.235 -9.486 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -47.528 9.624 -7.662 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -47.713 7.926 -7.272 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -45.378 9.312 -6.819 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -45.412 7.582 -7.098 1.00 0.00 H new ATOM 24 N LEU A 3 -45.066 10.950 -10.778 1.00 0.00 N ATOM 25 CA LEU A 3 -45.119 12.334 -11.240 1.00 0.00 C ATOM 26 C LEU A 3 -45.829 13.226 -10.225 1.00 0.00 C ATOM 27 O LEU A 3 -47.041 13.424 -10.301 1.00 0.00 O ATOM 28 CB LEU A 3 -45.829 12.420 -12.594 1.00 0.00 C ATOM 29 CG LEU A 3 -45.140 11.680 -13.743 1.00 0.00 C ATOM 30 CD1 LEU A 3 -45.087 10.185 -13.467 1.00 0.00 C ATOM 31 CD2 LEU A 3 -45.856 11.955 -15.057 1.00 0.00 C ATOM 0 H LEU A 3 -44.131 10.542 -10.776 1.00 0.00 H new ATOM 0 HA LEU A 3 -44.094 12.687 -11.352 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -46.838 12.024 -12.482 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -45.928 13.470 -12.868 1.00 0.00 H new ATOM 0 HG LEU A 3 -44.117 12.048 -13.822 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -44.593 9.679 -14.297 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -44.529 10.004 -12.548 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -46.101 9.799 -13.358 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -45.353 11.421 -15.864 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -46.889 11.616 -14.986 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -45.839 13.025 -15.264 1.00 0.00 H new ATOM 43 N GLY A 4 -45.066 13.761 -9.277 1.00 0.00 N ATOM 44 CA GLY A 4 -45.643 14.624 -8.263 1.00 0.00 C ATOM 45 C GLY A 4 -44.923 14.522 -6.933 1.00 0.00 C ATOM 46 O GLY A 4 -44.413 15.517 -6.418 1.00 0.00 O ATOM 0 H GLY A 4 -44.060 13.613 -9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -45.613 15.657 -8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -46.693 14.365 -8.125 1.00 0.00 H new ATOM 50 N SER A 5 -44.881 13.317 -6.375 1.00 0.00 N ATOM 51 CA SER A 5 -44.219 13.089 -5.096 1.00 0.00 C ATOM 52 C SER A 5 -42.976 12.221 -5.272 1.00 0.00 C ATOM 53 O SER A 5 -43.024 11.006 -5.076 1.00 0.00 O ATOM 54 CB SER A 5 -45.183 12.425 -4.111 1.00 0.00 C ATOM 55 OG SER A 5 -45.637 11.177 -4.605 1.00 0.00 O ATOM 0 H SER A 5 -45.298 12.483 -6.789 1.00 0.00 H new ATOM 0 HA SER A 5 -43.911 14.056 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 5 -44.686 12.281 -3.152 1.00 0.00 H new ATOM 0 HB3 SER A 5 -46.035 13.081 -3.933 1.00 0.00 H new ATOM 0 HG SER A 5 -44.868 10.634 -4.878 1.00 0.00 H new ATOM 61 N PRO A 6 -41.841 12.836 -5.649 1.00 0.00 N ATOM 62 CA PRO A 6 -40.583 12.118 -5.854 1.00 0.00 C ATOM 63 C PRO A 6 -39.807 11.893 -4.558 1.00 0.00 C ATOM 64 O PRO A 6 -38.643 11.494 -4.585 1.00 0.00 O ATOM 65 CB PRO A 6 -39.815 13.057 -6.779 1.00 0.00 C ATOM 66 CG PRO A 6 -40.268 14.422 -6.383 1.00 0.00 C ATOM 67 CD PRO A 6 -41.695 14.281 -5.910 1.00 0.00 C ATOM 0 HA PRO A 6 -40.741 11.116 -6.253 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -38.738 12.944 -6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -40.038 12.853 -7.826 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -39.636 14.826 -5.593 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -40.205 15.111 -7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -41.878 14.870 -5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -42.402 14.624 -6.665 1.00 0.00 H new ATOM 75 N SER A 7 -40.456 12.143 -3.423 1.00 0.00 N ATOM 76 CA SER A 7 -39.820 11.957 -2.126 1.00 0.00 C ATOM 77 C SER A 7 -39.875 10.492 -1.706 1.00 0.00 C ATOM 78 O SER A 7 -39.059 10.033 -0.908 1.00 0.00 O ATOM 79 CB SER A 7 -40.500 12.830 -1.070 1.00 0.00 C ATOM 80 OG SER A 7 -40.411 14.203 -1.408 1.00 0.00 O ATOM 0 H SER A 7 -41.420 12.474 -3.378 1.00 0.00 H new ATOM 0 HA SER A 7 -38.775 12.256 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 7 -41.547 12.543 -0.976 1.00 0.00 H new ATOM 0 HB3 SER A 7 -40.034 12.661 -0.099 1.00 0.00 H new ATOM 0 HG SER A 7 -40.855 14.739 -0.718 1.00 0.00 H new ATOM 86 N LYS A 8 -40.843 9.762 -2.254 1.00 0.00 N ATOM 87 CA LYS A 8 -41.003 8.348 -1.942 1.00 0.00 C ATOM 88 C LYS A 8 -41.248 8.147 -0.450 1.00 0.00 C ATOM 89 O LYS A 8 -40.887 7.115 0.115 1.00 0.00 O ATOM 90 CB LYS A 8 -39.761 7.573 -2.380 1.00 0.00 C ATOM 91 CG LYS A 8 -39.411 7.775 -3.847 1.00 0.00 C ATOM 92 CD LYS A 8 -40.550 7.367 -4.773 1.00 0.00 C ATOM 93 CE LYS A 8 -40.748 5.857 -4.811 1.00 0.00 C ATOM 94 NZ LYS A 8 -41.283 5.320 -3.529 1.00 0.00 N ATOM 0 H LYS A 8 -41.527 10.128 -2.916 1.00 0.00 H new ATOM 0 HA LYS A 8 -41.870 7.971 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -38.914 7.880 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -39.920 6.511 -2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -39.163 8.823 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -38.522 7.193 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -41.473 7.845 -4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -40.345 7.730 -5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -41.432 5.604 -5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -39.797 5.374 -5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -41.926 4.527 -3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -40.496 4.988 -2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -41.802 6.070 -3.028 1.00 0.00 H new ATOM 108 N ASP A 9 -41.864 9.144 0.181 1.00 0.00 N ATOM 109 CA ASP A 9 -42.161 9.087 1.608 1.00 0.00 C ATOM 110 C ASP A 9 -40.879 9.048 2.434 1.00 0.00 C ATOM 111 O ASP A 9 -40.479 10.052 3.023 1.00 0.00 O ATOM 112 CB ASP A 9 -43.031 7.867 1.925 1.00 0.00 C ATOM 113 CG ASP A 9 -44.362 7.901 1.201 1.00 0.00 C ATOM 114 OD1 ASP A 9 -45.132 8.860 1.418 1.00 0.00 O ATOM 115 OD2 ASP A 9 -44.635 6.969 0.415 1.00 0.00 O ATOM 0 H ASP A 9 -42.168 10.004 -0.277 1.00 0.00 H new ATOM 0 HA ASP A 9 -42.710 9.990 1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -42.494 6.960 1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -43.206 7.819 3.000 1.00 0.00 H new ATOM 120 N CYS A 10 -40.237 7.884 2.475 1.00 0.00 N ATOM 121 CA CYS A 10 -39.001 7.719 3.231 1.00 0.00 C ATOM 122 C CYS A 10 -39.217 8.038 4.707 1.00 0.00 C ATOM 123 O CYS A 10 -38.308 8.511 5.390 1.00 0.00 O ATOM 124 CB CYS A 10 -37.904 8.619 2.658 1.00 0.00 C ATOM 125 SG CYS A 10 -37.503 8.283 0.928 1.00 0.00 S ATOM 0 H CYS A 10 -40.553 7.042 1.994 1.00 0.00 H new ATOM 0 HA CYS A 10 -38.690 6.678 3.146 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -38.216 9.659 2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -37.002 8.501 3.258 1.00 0.00 H new ATOM 0 HG CYS A 10 -38.188 9.079 0.161 1.00 0.00 H new ATOM 131 N GLY A 11 -40.426 7.777 5.193 1.00 0.00 N ATOM 132 CA GLY A 11 -40.739 8.044 6.585 1.00 0.00 C ATOM 133 C GLY A 11 -41.861 7.168 7.107 1.00 0.00 C ATOM 134 O GLY A 11 -42.608 7.572 7.999 1.00 0.00 O ATOM 0 H GLY A 11 -41.194 7.386 4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -39.847 7.886 7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -41.019 9.092 6.697 1.00 0.00 H new ATOM 138 N SER A 12 -41.979 5.967 6.552 1.00 0.00 N ATOM 139 CA SER A 12 -43.019 5.032 6.969 1.00 0.00 C ATOM 140 C SER A 12 -44.409 5.620 6.728 1.00 0.00 C ATOM 141 O SER A 12 -44.874 6.461 7.497 1.00 0.00 O ATOM 142 CB SER A 12 -42.852 4.679 8.448 1.00 0.00 C ATOM 143 OG SER A 12 -41.593 4.075 8.690 1.00 0.00 O ATOM 0 H SER A 12 -41.369 5.618 5.813 1.00 0.00 H new ATOM 0 HA SER A 12 -42.919 4.126 6.372 1.00 0.00 H new ATOM 0 HB2 SER A 12 -42.949 5.580 9.053 1.00 0.00 H new ATOM 0 HB3 SER A 12 -43.649 4.002 8.756 1.00 0.00 H new ATOM 0 HG SER A 12 -41.281 4.318 9.587 1.00 0.00 H new ATOM 149 N PRO A 13 -45.094 5.185 5.654 1.00 0.00 N ATOM 150 CA PRO A 13 -46.435 5.675 5.321 1.00 0.00 C ATOM 151 C PRO A 13 -47.363 5.721 6.530 1.00 0.00 C ATOM 152 O PRO A 13 -47.825 6.789 6.931 1.00 0.00 O ATOM 153 CB PRO A 13 -46.934 4.649 4.305 1.00 0.00 C ATOM 154 CG PRO A 13 -45.699 4.165 3.630 1.00 0.00 C ATOM 155 CD PRO A 13 -44.618 4.181 4.680 1.00 0.00 C ATOM 0 HA PRO A 13 -46.413 6.699 4.948 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -47.466 3.832 4.793 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -47.626 5.099 3.593 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -45.841 3.161 3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -45.436 4.808 2.790 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -44.494 3.202 5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -43.653 4.459 4.257 1.00 0.00 H new ATOM 163 N LYS A 14 -47.636 4.554 7.103 1.00 0.00 N ATOM 164 CA LYS A 14 -48.513 4.458 8.259 1.00 0.00 C ATOM 165 C LYS A 14 -47.703 4.301 9.541 1.00 0.00 C ATOM 166 O LYS A 14 -47.256 3.204 9.875 1.00 0.00 O ATOM 167 CB LYS A 14 -49.462 3.273 8.091 1.00 0.00 C ATOM 168 CG LYS A 14 -50.573 3.237 9.123 1.00 0.00 C ATOM 169 CD LYS A 14 -51.388 4.517 9.087 1.00 0.00 C ATOM 170 CE LYS A 14 -52.605 4.433 9.993 1.00 0.00 C ATOM 171 NZ LYS A 14 -53.515 3.322 9.599 1.00 0.00 N ATOM 0 H LYS A 14 -47.261 3.661 6.783 1.00 0.00 H new ATOM 0 HA LYS A 14 -49.094 5.378 8.331 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -49.903 3.309 7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -48.889 2.348 8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -51.223 2.382 8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -50.147 3.100 10.117 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -50.763 5.355 9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -51.708 4.716 8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -52.281 4.289 11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -53.149 5.377 9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -54.448 3.466 10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -53.615 3.306 8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -53.118 2.417 9.922 1.00 0.00 H new ATOM 185 N TYR A 15 -47.515 5.406 10.256 1.00 0.00 N ATOM 186 CA TYR A 15 -46.757 5.389 11.501 1.00 0.00 C ATOM 187 C TYR A 15 -47.344 4.396 12.494 1.00 0.00 C ATOM 188 O TYR A 15 -48.500 4.514 12.901 1.00 0.00 O ATOM 189 CB TYR A 15 -46.710 6.786 12.118 1.00 0.00 C ATOM 190 CG TYR A 15 -45.856 7.754 11.335 1.00 0.00 C ATOM 191 CD1 TYR A 15 -44.517 7.478 11.094 1.00 0.00 C ATOM 192 CD2 TYR A 15 -46.383 8.939 10.837 1.00 0.00 C ATOM 193 CE1 TYR A 15 -43.726 8.353 10.380 1.00 0.00 C ATOM 194 CE2 TYR A 15 -45.597 9.821 10.120 1.00 0.00 C ATOM 195 CZ TYR A 15 -44.269 9.524 9.894 1.00 0.00 C ATOM 196 OH TYR A 15 -43.483 10.399 9.180 1.00 0.00 O ATOM 0 H TYR A 15 -47.877 6.323 9.994 1.00 0.00 H new ATOM 0 HA TYR A 15 -45.741 5.071 11.266 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -47.724 7.180 12.187 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -46.326 6.714 13.136 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -44.087 6.562 11.472 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -47.422 9.174 11.013 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -42.686 8.122 10.202 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -46.020 10.738 9.738 1.00 0.00 H new ATOM 0 HH TYR A 15 -44.019 11.174 8.909 1.00 0.00 H new ATOM 206 N ALA A 16 -46.534 3.417 12.880 1.00 0.00 N ATOM 207 CA ALA A 16 -46.964 2.397 13.828 1.00 0.00 C ATOM 208 C ALA A 16 -46.269 2.571 15.175 1.00 0.00 C ATOM 209 O ALA A 16 -46.050 1.602 15.902 1.00 0.00 O ATOM 210 CB ALA A 16 -46.692 1.009 13.268 1.00 0.00 C ATOM 0 H ALA A 16 -45.575 3.308 12.550 1.00 0.00 H new ATOM 0 HA ALA A 16 -48.037 2.511 13.985 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -47.018 0.257 13.986 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -47.239 0.880 12.334 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -45.624 0.895 13.082 1.00 0.00 H new ATOM 216 N TYR A 17 -45.924 3.814 15.501 1.00 0.00 N ATOM 217 CA TYR A 17 -45.256 4.121 16.757 1.00 0.00 C ATOM 218 C TYR A 17 -43.964 3.324 16.910 1.00 0.00 C ATOM 219 O TYR A 17 -43.453 3.166 18.019 1.00 0.00 O ATOM 220 CB TYR A 17 -46.186 3.847 17.938 1.00 0.00 C ATOM 221 CG TYR A 17 -47.477 4.631 17.877 1.00 0.00 C ATOM 222 CD1 TYR A 17 -48.433 4.362 16.905 1.00 0.00 C ATOM 223 CD2 TYR A 17 -47.735 5.648 18.786 1.00 0.00 C ATOM 224 CE1 TYR A 17 -49.609 5.084 16.842 1.00 0.00 C ATOM 225 CE2 TYR A 17 -48.909 6.373 18.730 1.00 0.00 C ATOM 226 CZ TYR A 17 -49.842 6.088 17.756 1.00 0.00 C ATOM 227 OH TYR A 17 -51.013 6.809 17.698 1.00 0.00 O ATOM 0 H TYR A 17 -46.098 4.626 14.908 1.00 0.00 H new ATOM 0 HA TYR A 17 -45.000 5.180 16.745 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -46.417 2.782 17.970 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -45.666 4.089 18.865 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -48.254 3.575 16.187 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -47.006 5.876 19.549 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -50.342 4.863 16.080 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -49.095 7.160 19.446 1.00 0.00 H new ATOM 0 HH TYR A 17 -51.021 7.478 18.414 1.00 0.00 H new ATOM 237 N PHE A 18 -43.431 2.834 15.793 1.00 0.00 N ATOM 238 CA PHE A 18 -42.189 2.069 15.816 1.00 0.00 C ATOM 239 C PHE A 18 -41.090 2.868 16.513 1.00 0.00 C ATOM 240 O PHE A 18 -40.130 2.303 17.036 1.00 0.00 O ATOM 241 CB PHE A 18 -41.748 1.705 14.393 1.00 0.00 C ATOM 242 CG PHE A 18 -41.279 2.879 13.574 1.00 0.00 C ATOM 243 CD1 PHE A 18 -42.154 3.891 13.208 1.00 0.00 C ATOM 244 CD2 PHE A 18 -39.954 2.970 13.176 1.00 0.00 C ATOM 245 CE1 PHE A 18 -41.716 4.968 12.461 1.00 0.00 C ATOM 246 CE2 PHE A 18 -39.512 4.045 12.428 1.00 0.00 C ATOM 247 CZ PHE A 18 -40.394 5.045 12.070 1.00 0.00 C ATOM 0 H PHE A 18 -43.838 2.953 14.865 1.00 0.00 H new ATOM 0 HA PHE A 18 -42.366 1.147 16.370 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -40.944 0.971 14.450 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -42.581 1.226 13.878 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -43.189 3.837 13.510 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -39.259 2.192 13.454 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -42.408 5.749 12.183 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -38.477 4.103 12.124 1.00 0.00 H new ATOM 0 HZ PHE A 18 -40.051 5.886 11.485 1.00 0.00 H new ATOM 257 N ASN A 19 -41.251 4.190 16.516 1.00 0.00 N ATOM 258 CA ASN A 19 -40.295 5.088 17.144 1.00 0.00 C ATOM 259 C ASN A 19 -38.963 5.080 16.400 1.00 0.00 C ATOM 260 O ASN A 19 -38.604 6.056 15.741 1.00 0.00 O ATOM 261 CB ASN A 19 -40.083 4.705 18.609 1.00 0.00 C ATOM 262 CG ASN A 19 -39.192 5.690 19.335 1.00 0.00 C ATOM 263 OD1 ASN A 19 -38.022 5.859 18.992 1.00 0.00 O ATOM 264 ND2 ASN A 19 -39.747 6.352 20.342 1.00 0.00 N ATOM 0 H ASN A 19 -42.045 4.663 16.084 1.00 0.00 H new ATOM 0 HA ASN A 19 -40.704 6.097 17.099 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -41.048 4.652 19.112 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -39.641 3.710 18.662 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -39.200 7.034 20.867 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -40.721 6.179 20.591 1.00 0.00 H new ATOM 271 N GLY A 20 -38.234 3.975 16.511 1.00 0.00 N ATOM 272 CA GLY A 20 -36.950 3.864 15.843 1.00 0.00 C ATOM 273 C GLY A 20 -36.682 2.462 15.332 1.00 0.00 C ATOM 274 O GLY A 20 -36.335 2.275 14.165 1.00 0.00 O ATOM 0 H GLY A 20 -38.509 3.155 17.051 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -36.916 4.564 15.008 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -36.158 4.153 16.534 1.00 0.00 H new ATOM 278 N CYS A 21 -36.842 1.474 16.207 1.00 0.00 N ATOM 279 CA CYS A 21 -36.614 0.082 15.838 1.00 0.00 C ATOM 280 C CYS A 21 -37.473 -0.860 16.666 1.00 0.00 C ATOM 281 O CYS A 21 -38.259 -1.636 16.125 1.00 0.00 O ATOM 282 CB CYS A 21 -35.147 -0.292 16.025 1.00 0.00 C ATOM 283 SG CYS A 21 -34.025 0.479 14.835 1.00 0.00 S ATOM 0 H CYS A 21 -37.129 1.612 17.176 1.00 0.00 H new ATOM 0 HA CYS A 21 -36.888 -0.021 14.788 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -34.838 -0.012 17.032 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -35.048 -1.375 15.951 1.00 0.00 H new ATOM 0 HG CYS A 21 -34.645 1.437 14.212 1.00 0.00 H new ATOM 289 N SER A 22 -37.299 -0.798 17.982 1.00 0.00 N ATOM 290 CA SER A 22 -38.042 -1.656 18.894 1.00 0.00 C ATOM 291 C SER A 22 -37.606 -3.109 18.745 1.00 0.00 C ATOM 292 O SER A 22 -38.387 -4.030 18.985 1.00 0.00 O ATOM 293 CB SER A 22 -39.544 -1.536 18.645 1.00 0.00 C ATOM 294 OG SER A 22 -40.011 -0.232 18.942 1.00 0.00 O ATOM 0 H SER A 22 -36.648 -0.160 18.440 1.00 0.00 H new ATOM 0 HA SER A 22 -37.827 -1.329 19.911 1.00 0.00 H new ATOM 0 HB2 SER A 22 -39.763 -1.775 17.604 1.00 0.00 H new ATOM 0 HB3 SER A 22 -40.076 -2.264 19.258 1.00 0.00 H new ATOM 0 HG SER A 22 -39.905 0.341 18.154 1.00 0.00 H new ATOM 300 N SER A 23 -36.354 -3.306 18.346 1.00 0.00 N ATOM 301 CA SER A 23 -35.812 -4.646 18.165 1.00 0.00 C ATOM 302 C SER A 23 -34.969 -5.056 19.370 1.00 0.00 C ATOM 303 O SER A 23 -33.904 -4.487 19.605 1.00 0.00 O ATOM 304 CB SER A 23 -34.957 -4.705 16.897 1.00 0.00 C ATOM 305 OG SER A 23 -34.475 -6.017 16.668 1.00 0.00 O ATOM 0 H SER A 23 -35.696 -2.554 18.142 1.00 0.00 H new ATOM 0 HA SER A 23 -36.648 -5.339 18.069 1.00 0.00 H new ATOM 0 HB2 SER A 23 -35.547 -4.376 16.041 1.00 0.00 H new ATOM 0 HB3 SER A 23 -34.117 -4.016 16.989 1.00 0.00 H new ATOM 0 HG SER A 23 -33.559 -6.093 17.007 1.00 0.00 H new ATOM 311 N PRO A 24 -35.433 -6.048 20.155 1.00 0.00 N ATOM 312 CA PRO A 24 -34.706 -6.524 21.338 1.00 0.00 C ATOM 313 C PRO A 24 -33.357 -7.138 20.972 1.00 0.00 C ATOM 314 O PRO A 24 -33.138 -8.337 21.145 1.00 0.00 O ATOM 315 CB PRO A 24 -35.635 -7.590 21.938 1.00 0.00 C ATOM 316 CG PRO A 24 -36.970 -7.343 21.321 1.00 0.00 C ATOM 317 CD PRO A 24 -36.695 -6.778 19.958 1.00 0.00 C ATOM 0 HA PRO A 24 -34.478 -5.711 22.028 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -35.278 -8.595 21.712 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -35.682 -7.505 23.024 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -37.545 -8.266 21.252 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -37.555 -6.647 21.922 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -36.595 -7.562 19.208 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -37.496 -6.118 19.625 1.00 0.00 H new ATOM 325 N THR A 25 -32.457 -6.306 20.461 1.00 0.00 N ATOM 326 CA THR A 25 -31.131 -6.758 20.064 1.00 0.00 C ATOM 327 C THR A 25 -30.149 -6.647 21.227 1.00 0.00 C ATOM 328 O THR A 25 -29.472 -7.614 21.575 1.00 0.00 O ATOM 329 CB THR A 25 -30.633 -5.939 18.873 1.00 0.00 C ATOM 330 OG1 THR A 25 -31.511 -6.074 17.770 1.00 0.00 O ATOM 331 CG2 THR A 25 -29.247 -6.333 18.409 1.00 0.00 C ATOM 0 H THR A 25 -32.624 -5.311 20.312 1.00 0.00 H new ATOM 0 HA THR A 25 -31.198 -7.806 19.772 1.00 0.00 H new ATOM 0 HB THR A 25 -30.598 -4.909 19.227 1.00 0.00 H new ATOM 0 HG1 THR A 25 -31.176 -5.541 17.018 1.00 0.00 H new ATOM 0 HG21 THR A 25 -28.957 -5.712 17.562 1.00 0.00 H new ATOM 0 HG22 THR A 25 -28.537 -6.191 19.223 1.00 0.00 H new ATOM 0 HG23 THR A 25 -29.248 -7.380 18.108 1.00 0.00 H new ATOM 339 N ALA A 26 -30.080 -5.461 21.824 1.00 0.00 N ATOM 340 CA ALA A 26 -29.184 -5.219 22.951 1.00 0.00 C ATOM 341 C ALA A 26 -29.249 -3.761 23.401 1.00 0.00 C ATOM 342 O ALA A 26 -29.461 -3.478 24.580 1.00 0.00 O ATOM 343 CB ALA A 26 -27.754 -5.601 22.589 1.00 0.00 C ATOM 0 H ALA A 26 -30.634 -4.651 21.546 1.00 0.00 H new ATOM 0 HA ALA A 26 -29.512 -5.844 23.781 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -27.101 -5.414 23.441 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -27.715 -6.658 22.327 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -27.422 -5.004 21.739 1.00 0.00 H new ATOM 349 N PRO A 27 -29.068 -2.810 22.465 1.00 0.00 N ATOM 350 CA PRO A 27 -29.109 -1.378 22.777 1.00 0.00 C ATOM 351 C PRO A 27 -30.487 -0.933 23.255 1.00 0.00 C ATOM 352 O PRO A 27 -31.286 -1.746 23.720 1.00 0.00 O ATOM 353 CB PRO A 27 -28.761 -0.698 21.444 1.00 0.00 C ATOM 354 CG PRO A 27 -28.166 -1.770 20.596 1.00 0.00 C ATOM 355 CD PRO A 27 -28.812 -3.050 21.037 1.00 0.00 C ATOM 0 HA PRO A 27 -28.424 -1.123 23.586 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -29.649 -0.274 20.976 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -28.057 0.121 21.593 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -28.354 -1.581 19.539 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -27.084 -1.814 20.724 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -29.733 -3.248 20.489 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -28.158 -3.908 20.882 1.00 0.00 H new ATOM 363 N LEU A 28 -30.759 0.361 23.134 1.00 0.00 N ATOM 364 CA LEU A 28 -32.041 0.917 23.550 1.00 0.00 C ATOM 365 C LEU A 28 -32.439 2.085 22.654 1.00 0.00 C ATOM 366 O LEU A 28 -33.573 2.163 22.183 1.00 0.00 O ATOM 367 CB LEU A 28 -31.974 1.377 25.008 1.00 0.00 C ATOM 368 CG LEU A 28 -31.648 0.279 26.022 1.00 0.00 C ATOM 369 CD1 LEU A 28 -31.564 0.859 27.426 1.00 0.00 C ATOM 370 CD2 LEU A 28 -32.688 -0.832 25.963 1.00 0.00 C ATOM 0 H LEU A 28 -30.108 1.046 22.751 1.00 0.00 H new ATOM 0 HA LEU A 28 -32.796 0.136 23.459 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -31.221 2.161 25.091 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -32.931 1.824 25.276 1.00 0.00 H new ATOM 0 HG LEU A 28 -30.678 -0.147 25.767 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -31.331 0.064 28.135 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -30.781 1.617 27.460 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -32.519 1.312 27.690 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -32.438 -1.603 26.692 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -33.672 -0.422 26.191 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -32.699 -1.267 24.964 1.00 0.00 H new ATOM 382 N SER A 29 -31.494 2.989 22.423 1.00 0.00 N ATOM 383 CA SER A 29 -31.736 4.155 21.583 1.00 0.00 C ATOM 384 C SER A 29 -31.452 3.841 20.120 1.00 0.00 C ATOM 385 O SER A 29 -30.483 3.150 19.803 1.00 0.00 O ATOM 386 CB SER A 29 -30.866 5.327 22.041 1.00 0.00 C ATOM 387 OG SER A 29 -29.489 5.001 21.960 1.00 0.00 O ATOM 0 H SER A 29 -30.551 2.936 22.807 1.00 0.00 H new ATOM 0 HA SER A 29 -32.787 4.429 21.680 1.00 0.00 H new ATOM 0 HB2 SER A 29 -31.073 6.201 21.424 1.00 0.00 H new ATOM 0 HB3 SER A 29 -31.120 5.594 23.067 1.00 0.00 H new ATOM 0 HG SER A 29 -28.954 5.766 22.256 1.00 0.00 H new ATOM 393 N PRO A 30 -32.284 4.362 19.201 1.00 0.00 N ATOM 394 CA PRO A 30 -32.098 4.146 17.765 1.00 0.00 C ATOM 395 C PRO A 30 -30.778 4.732 17.276 1.00 0.00 C ATOM 396 O PRO A 30 -30.361 4.493 16.143 1.00 0.00 O ATOM 397 CB PRO A 30 -33.283 4.879 17.126 1.00 0.00 C ATOM 398 CG PRO A 30 -33.733 5.857 18.156 1.00 0.00 C ATOM 399 CD PRO A 30 -33.451 5.216 19.484 1.00 0.00 C ATOM 0 HA PRO A 30 -32.062 3.087 17.510 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -32.986 5.383 16.206 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -34.082 4.185 16.865 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -33.199 6.802 18.057 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -34.795 6.078 18.047 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -33.231 5.958 20.251 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -34.301 4.633 19.839 1.00 0.00 H new ATOM 407 N MET A 31 -30.123 5.503 18.147 1.00 0.00 N ATOM 408 CA MET A 31 -28.844 6.129 17.820 1.00 0.00 C ATOM 409 C MET A 31 -27.903 5.144 17.128 1.00 0.00 C ATOM 410 O MET A 31 -28.050 3.929 17.265 1.00 0.00 O ATOM 411 CB MET A 31 -28.188 6.665 19.095 1.00 0.00 C ATOM 412 CG MET A 31 -26.832 7.310 18.865 1.00 0.00 C ATOM 413 SD MET A 31 -26.068 7.876 20.397 1.00 0.00 S ATOM 414 CE MET A 31 -25.949 6.335 21.305 1.00 0.00 C ATOM 0 H MET A 31 -30.461 5.708 19.087 1.00 0.00 H new ATOM 0 HA MET A 31 -29.036 6.952 17.132 1.00 0.00 H new ATOM 0 HB2 MET A 31 -28.854 7.396 19.555 1.00 0.00 H new ATOM 0 HB3 MET A 31 -28.074 5.846 19.805 1.00 0.00 H new ATOM 0 HG2 MET A 31 -26.171 6.594 18.376 1.00 0.00 H new ATOM 0 HG3 MET A 31 -26.946 8.155 18.186 1.00 0.00 H new ATOM 0 HE1 MET A 31 -25.087 6.371 21.971 1.00 0.00 H new ATOM 0 HE2 MET A 31 -26.855 6.188 21.892 1.00 0.00 H new ATOM 0 HE3 MET A 31 -25.832 5.508 20.605 1.00 0.00 H new ATOM 424 N SER A 32 -26.939 5.678 16.385 1.00 0.00 N ATOM 425 CA SER A 32 -25.974 4.849 15.671 1.00 0.00 C ATOM 426 C SER A 32 -24.573 5.021 16.255 1.00 0.00 C ATOM 427 O SER A 32 -23.835 5.922 15.857 1.00 0.00 O ATOM 428 CB SER A 32 -25.966 5.206 14.184 1.00 0.00 C ATOM 429 OG SER A 32 -27.240 4.994 13.601 1.00 0.00 O ATOM 0 H SER A 32 -26.805 6.682 16.262 1.00 0.00 H new ATOM 0 HA SER A 32 -26.271 3.807 15.786 1.00 0.00 H new ATOM 0 HB2 SER A 32 -25.675 6.249 14.059 1.00 0.00 H new ATOM 0 HB3 SER A 32 -25.221 4.602 13.666 1.00 0.00 H new ATOM 0 HG SER A 32 -27.208 5.231 12.651 1.00 0.00 H new ATOM 435 N PRO A 33 -24.186 4.156 17.209 1.00 0.00 N ATOM 436 CA PRO A 33 -22.866 4.222 17.841 1.00 0.00 C ATOM 437 C PRO A 33 -21.728 4.166 16.822 1.00 0.00 C ATOM 438 O PRO A 33 -20.795 4.966 16.884 1.00 0.00 O ATOM 439 CB PRO A 33 -22.833 2.991 18.753 1.00 0.00 C ATOM 440 CG PRO A 33 -24.264 2.648 18.990 1.00 0.00 C ATOM 441 CD PRO A 33 -25.000 3.049 17.743 1.00 0.00 C ATOM 0 HA PRO A 33 -22.723 5.161 18.375 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -22.302 2.164 18.281 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.319 3.207 19.689 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -24.382 1.582 19.187 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -24.653 3.178 19.860 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -25.070 2.224 17.035 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -26.019 3.368 17.962 1.00 0.00 H new ATOM 449 N PRO A 34 -21.786 3.219 15.865 1.00 0.00 N ATOM 450 CA PRO A 34 -20.752 3.079 14.841 1.00 0.00 C ATOM 451 C PRO A 34 -20.941 4.059 13.691 1.00 0.00 C ATOM 452 O PRO A 34 -21.203 3.662 12.556 1.00 0.00 O ATOM 453 CB PRO A 34 -20.941 1.642 14.364 1.00 0.00 C ATOM 454 CG PRO A 34 -22.401 1.385 14.525 1.00 0.00 C ATOM 455 CD PRO A 34 -22.857 2.214 15.701 1.00 0.00 C ATOM 0 HA PRO A 34 -19.754 3.290 15.225 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -20.629 1.524 13.326 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.348 0.946 14.956 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -22.945 1.661 13.622 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -22.591 0.326 14.700 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -23.821 2.685 15.508 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -22.974 1.605 16.597 1.00 0.00 H new ATOM 463 N GLY A 35 -20.807 5.343 13.998 1.00 0.00 N ATOM 464 CA GLY A 35 -20.966 6.368 12.988 1.00 0.00 C ATOM 465 C GLY A 35 -19.699 6.599 12.187 1.00 0.00 C ATOM 466 O GLY A 35 -19.177 7.713 12.147 1.00 0.00 O ATOM 0 H GLY A 35 -20.590 5.692 14.932 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.772 6.084 12.312 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.264 7.301 13.466 1.00 0.00 H new ATOM 470 N TYR A 36 -19.204 5.545 11.546 1.00 0.00 N ATOM 471 CA TYR A 36 -17.992 5.643 10.741 1.00 0.00 C ATOM 472 C TYR A 36 -17.998 4.606 9.622 1.00 0.00 C ATOM 473 O TYR A 36 -16.949 4.096 9.228 1.00 0.00 O ATOM 474 CB TYR A 36 -16.751 5.456 11.617 1.00 0.00 C ATOM 475 CG TYR A 36 -16.664 4.094 12.269 1.00 0.00 C ATOM 476 CD1 TYR A 36 -17.642 3.661 13.156 1.00 0.00 C ATOM 477 CD2 TYR A 36 -15.601 3.242 11.997 1.00 0.00 C ATOM 478 CE1 TYR A 36 -17.563 2.416 13.752 1.00 0.00 C ATOM 479 CE2 TYR A 36 -15.516 1.996 12.589 1.00 0.00 C ATOM 480 CZ TYR A 36 -16.499 1.589 13.466 1.00 0.00 C ATOM 481 OH TYR A 36 -16.417 0.349 14.058 1.00 0.00 O ATOM 0 H TYR A 36 -19.623 4.615 11.568 1.00 0.00 H new ATOM 0 HA TYR A 36 -17.964 6.637 10.294 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -15.861 5.615 11.008 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -16.747 6.221 12.393 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -18.477 4.307 13.383 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -14.828 3.558 11.312 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -18.332 2.093 14.439 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -14.684 1.345 12.366 1.00 0.00 H new ATOM 0 HH TYR A 36 -15.607 -0.108 13.749 1.00 0.00 H new ATOM 491 N LYS A 37 -19.187 4.299 9.113 1.00 0.00 N ATOM 492 CA LYS A 37 -19.331 3.324 8.039 1.00 0.00 C ATOM 493 C LYS A 37 -19.393 4.017 6.681 1.00 0.00 C ATOM 494 O LYS A 37 -20.200 3.657 5.824 1.00 0.00 O ATOM 495 CB LYS A 37 -20.587 2.478 8.254 1.00 0.00 C ATOM 496 CG LYS A 37 -20.583 1.706 9.563 1.00 0.00 C ATOM 497 CD LYS A 37 -21.850 0.882 9.728 1.00 0.00 C ATOM 498 CE LYS A 37 -21.847 0.112 11.038 1.00 0.00 C ATOM 499 NZ LYS A 37 -23.083 -0.701 11.209 1.00 0.00 N ATOM 0 H LYS A 37 -20.065 4.712 9.428 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.458 2.672 8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -21.462 3.128 8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -20.687 1.775 7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.714 1.049 9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -20.489 2.402 10.397 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -22.719 1.539 9.693 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -21.943 0.185 8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.975 -0.542 11.073 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -21.755 0.811 11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -23.041 -1.210 12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -23.914 -0.075 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.159 -1.386 10.430 1.00 0.00 H new ATOM 513 N LEU A 38 -18.535 5.014 6.494 1.00 0.00 N ATOM 514 CA LEU A 38 -18.490 5.759 5.238 1.00 0.00 C ATOM 515 C LEU A 38 -17.065 5.847 4.693 1.00 0.00 C ATOM 516 O LEU A 38 -16.865 6.025 3.491 1.00 0.00 O ATOM 517 CB LEU A 38 -19.065 7.168 5.422 1.00 0.00 C ATOM 518 CG LEU A 38 -18.299 8.074 6.392 1.00 0.00 C ATOM 519 CD1 LEU A 38 -18.857 9.488 6.346 1.00 0.00 C ATOM 520 CD2 LEU A 38 -18.367 7.524 7.809 1.00 0.00 C ATOM 0 H LEU A 38 -17.862 5.326 7.194 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.101 5.218 4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.101 7.656 4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -20.093 7.079 5.772 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.254 8.100 6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -18.303 10.120 7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -18.759 9.885 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.909 9.473 6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.817 8.182 8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.408 7.467 8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.925 6.528 7.834 1.00 0.00 H new ATOM 532 N VAL A 39 -16.078 5.719 5.576 1.00 0.00 N ATOM 533 CA VAL A 39 -14.680 5.783 5.171 1.00 0.00 C ATOM 534 C VAL A 39 -14.104 4.380 5.007 1.00 0.00 C ATOM 535 O VAL A 39 -12.967 4.109 5.394 1.00 0.00 O ATOM 536 CB VAL A 39 -13.836 6.567 6.195 1.00 0.00 C ATOM 537 CG1 VAL A 39 -12.423 6.788 5.675 1.00 0.00 C ATOM 538 CG2 VAL A 39 -14.501 7.893 6.531 1.00 0.00 C ATOM 0 H VAL A 39 -16.222 5.571 6.575 1.00 0.00 H new ATOM 0 HA VAL A 39 -14.641 6.304 4.215 1.00 0.00 H new ATOM 0 HB VAL A 39 -13.771 5.976 7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -11.846 7.343 6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.948 5.824 5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.462 7.355 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.891 8.433 7.255 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -14.601 8.490 5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -15.488 7.708 6.954 1.00 0.00 H new ATOM 548 N THR A 40 -14.904 3.489 4.434 1.00 0.00 N ATOM 549 CA THR A 40 -14.487 2.109 4.216 1.00 0.00 C ATOM 550 C THR A 40 -14.877 1.635 2.820 1.00 0.00 C ATOM 551 O THR A 40 -15.771 0.803 2.662 1.00 0.00 O ATOM 552 CB THR A 40 -15.114 1.194 5.266 1.00 0.00 C ATOM 553 OG1 THR A 40 -16.525 1.325 5.268 1.00 0.00 O ATOM 554 CG2 THR A 40 -14.623 1.466 6.672 1.00 0.00 C ATOM 0 H THR A 40 -15.849 3.698 4.111 1.00 0.00 H new ATOM 0 HA THR A 40 -13.401 2.067 4.305 1.00 0.00 H new ATOM 0 HB THR A 40 -14.812 0.185 4.985 1.00 0.00 H new ATOM 0 HG1 THR A 40 -16.868 1.185 4.361 1.00 0.00 H new ATOM 0 HG21 THR A 40 -15.109 0.781 7.366 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.544 1.321 6.715 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.862 2.493 6.949 1.00 0.00 H new ATOM 562 N GLY A 41 -14.210 2.179 1.809 1.00 0.00 N ATOM 563 CA GLY A 41 -14.509 1.810 0.441 1.00 0.00 C ATOM 564 C GLY A 41 -14.955 3.007 -0.362 1.00 0.00 C ATOM 565 O GLY A 41 -14.690 3.102 -1.560 1.00 0.00 O ATOM 0 H GLY A 41 -13.467 2.870 1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -13.626 1.368 -0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.290 1.049 0.429 1.00 0.00 H new ATOM 569 N ASP A 42 -15.622 3.934 0.315 1.00 0.00 N ATOM 570 CA ASP A 42 -16.097 5.151 -0.324 1.00 0.00 C ATOM 571 C ASP A 42 -15.065 6.265 -0.164 1.00 0.00 C ATOM 572 O ASP A 42 -14.236 6.477 -1.046 1.00 0.00 O ATOM 573 CB ASP A 42 -17.446 5.574 0.263 1.00 0.00 C ATOM 574 CG ASP A 42 -18.534 4.550 0.009 1.00 0.00 C ATOM 575 OD1 ASP A 42 -18.819 4.267 -1.174 1.00 0.00 O ATOM 576 OD2 ASP A 42 -19.101 4.029 0.992 1.00 0.00 O ATOM 0 H ASP A 42 -15.845 3.864 1.308 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.236 4.957 -1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.340 5.728 1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -17.743 6.530 -0.168 1.00 0.00 H new ATOM 581 N ARG A 43 -15.111 6.966 0.969 1.00 0.00 N ATOM 582 CA ARG A 43 -14.168 8.051 1.243 1.00 0.00 C ATOM 583 C ARG A 43 -14.324 9.206 0.255 1.00 0.00 C ATOM 584 O ARG A 43 -13.520 10.137 0.258 1.00 0.00 O ATOM 585 CB ARG A 43 -12.733 7.526 1.191 1.00 0.00 C ATOM 586 CG ARG A 43 -12.439 6.454 2.225 1.00 0.00 C ATOM 587 CD ARG A 43 -11.000 5.972 2.136 1.00 0.00 C ATOM 588 NE ARG A 43 -10.709 4.932 3.121 1.00 0.00 N ATOM 589 CZ ARG A 43 -9.520 4.347 3.252 1.00 0.00 C ATOM 590 NH1 ARG A 43 -8.510 4.698 2.465 1.00 0.00 N ATOM 591 NH2 ARG A 43 -9.341 3.410 4.172 1.00 0.00 N ATOM 0 H ARG A 43 -15.791 6.802 1.712 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.389 8.429 2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.538 7.123 0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -12.045 8.359 1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.631 6.848 3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.115 5.612 2.079 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.808 5.587 1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.325 6.815 2.288 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.461 4.637 3.744 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.643 5.419 1.756 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.601 4.247 2.570 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.114 3.137 4.779 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.430 2.962 4.273 1.00 0.00 H new ATOM 605 N ASN A 44 -15.356 9.137 -0.588 1.00 0.00 N ATOM 606 CA ASN A 44 -15.623 10.169 -1.593 1.00 0.00 C ATOM 607 C ASN A 44 -16.499 9.615 -2.724 1.00 0.00 C ATOM 608 O ASN A 44 -17.711 9.479 -2.557 1.00 0.00 O ATOM 609 CB ASN A 44 -14.315 10.773 -2.148 1.00 0.00 C ATOM 610 CG ASN A 44 -13.217 9.749 -2.442 1.00 0.00 C ATOM 611 OD1 ASN A 44 -13.537 8.456 -2.387 1.00 0.00 O flip ATOM 612 ND2 ASN A 44 -12.083 10.126 -2.738 1.00 0.00 N flip ATOM 0 H ASN A 44 -16.027 8.369 -0.594 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.170 10.974 -1.103 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -14.542 11.317 -3.065 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -13.933 11.501 -1.432 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.869 11.123 -2.772 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.357 9.442 -2.950 1.00 0.00 H new ATOM 619 N ASN A 45 -15.897 9.294 -3.869 1.00 0.00 N ATOM 620 CA ASN A 45 -16.648 8.760 -4.999 1.00 0.00 C ATOM 621 C ASN A 45 -16.402 7.261 -5.172 1.00 0.00 C ATOM 622 O ASN A 45 -17.093 6.605 -5.951 1.00 0.00 O ATOM 623 CB ASN A 45 -16.268 9.500 -6.283 1.00 0.00 C ATOM 624 CG ASN A 45 -14.794 9.368 -6.611 1.00 0.00 C ATOM 625 OD1 ASN A 45 -14.289 8.265 -6.816 1.00 0.00 O ATOM 626 ND2 ASN A 45 -14.095 10.496 -6.660 1.00 0.00 N ATOM 0 H ASN A 45 -14.896 9.395 -4.036 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.708 8.910 -4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.858 9.110 -7.112 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -16.521 10.555 -6.180 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.098 10.469 -6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -14.555 11.389 -6.483 1.00 0.00 H new ATOM 633 N SER A 46 -15.410 6.731 -4.448 1.00 0.00 N ATOM 634 CA SER A 46 -15.050 5.312 -4.509 1.00 0.00 C ATOM 635 C SER A 46 -14.076 5.050 -5.653 1.00 0.00 C ATOM 636 O SER A 46 -13.067 4.369 -5.475 1.00 0.00 O ATOM 637 CB SER A 46 -16.287 4.422 -4.658 1.00 0.00 C ATOM 638 OG SER A 46 -17.236 4.690 -3.639 1.00 0.00 O ATOM 0 H SER A 46 -14.835 7.274 -3.804 1.00 0.00 H new ATOM 0 HA SER A 46 -14.564 5.060 -3.566 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.742 4.587 -5.635 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.991 3.374 -4.617 1.00 0.00 H new ATOM 0 HG SER A 46 -18.017 4.110 -3.758 1.00 0.00 H new ATOM 644 N SER A 47 -14.380 5.603 -6.823 1.00 0.00 N ATOM 645 CA SER A 47 -13.527 5.441 -7.995 1.00 0.00 C ATOM 646 C SER A 47 -13.244 3.967 -8.272 1.00 0.00 C ATOM 647 O SER A 47 -12.098 3.575 -8.499 1.00 0.00 O ATOM 648 CB SER A 47 -12.214 6.201 -7.793 1.00 0.00 C ATOM 649 OG SER A 47 -11.423 5.599 -6.783 1.00 0.00 O ATOM 0 H SER A 47 -15.213 6.169 -6.985 1.00 0.00 H new ATOM 0 HA SER A 47 -14.052 5.851 -8.858 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.657 6.224 -8.729 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.427 7.235 -7.523 1.00 0.00 H new ATOM 0 HG SER A 47 -11.858 4.777 -6.473 1.00 0.00 H new ATOM 655 N CYS A 48 -14.295 3.154 -8.254 1.00 0.00 N ATOM 656 CA CYS A 48 -14.160 1.724 -8.504 1.00 0.00 C ATOM 657 C CYS A 48 -14.487 1.394 -9.961 1.00 0.00 C ATOM 658 O CYS A 48 -14.865 0.269 -10.284 1.00 0.00 O ATOM 659 CB CYS A 48 -15.078 0.937 -7.565 1.00 0.00 C ATOM 660 SG CYS A 48 -14.876 -0.858 -7.656 1.00 0.00 S ATOM 0 H CYS A 48 -15.250 3.461 -8.069 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.126 1.438 -8.312 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.893 1.260 -6.541 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -16.114 1.186 -7.796 1.00 0.00 H new ATOM 0 HG CYS A 48 -14.605 -1.203 -8.880 1.00 0.00 H new ATOM 666 N ARG A 49 -14.335 2.382 -10.839 1.00 0.00 N ATOM 667 CA ARG A 49 -14.611 2.189 -12.258 1.00 0.00 C ATOM 668 C ARG A 49 -13.319 1.985 -13.043 1.00 0.00 C ATOM 669 O ARG A 49 -13.268 2.239 -14.247 1.00 0.00 O ATOM 670 CB ARG A 49 -15.376 3.385 -12.830 1.00 0.00 C ATOM 671 CG ARG A 49 -16.787 3.546 -12.280 1.00 0.00 C ATOM 672 CD ARG A 49 -16.786 3.982 -10.822 1.00 0.00 C ATOM 673 NE ARG A 49 -18.141 4.215 -10.325 1.00 0.00 N ATOM 674 CZ ARG A 49 -18.415 4.682 -9.109 1.00 0.00 C ATOM 675 NH1 ARG A 49 -17.433 4.995 -8.273 1.00 0.00 N ATOM 676 NH2 ARG A 49 -19.676 4.845 -8.731 1.00 0.00 N ATOM 0 H ARG A 49 -14.023 3.321 -10.593 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.226 1.294 -12.355 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.812 4.295 -12.624 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.430 3.282 -13.914 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -17.327 4.281 -12.877 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -17.323 2.602 -12.375 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.302 3.217 -10.214 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.198 4.893 -10.715 1.00 0.00 H new ATOM 0 HE ARG A 49 -18.923 4.007 -10.947 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.461 4.878 -8.561 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.650 5.352 -7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -20.435 4.613 -9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -19.887 5.203 -7.799 1.00 0.00 H new ATOM 690 N ASN A 50 -12.277 1.525 -12.358 1.00 0.00 N ATOM 691 CA ASN A 50 -10.988 1.289 -12.997 1.00 0.00 C ATOM 692 C ASN A 50 -10.775 -0.199 -13.252 1.00 0.00 C ATOM 693 O ASN A 50 -10.264 -0.592 -14.301 1.00 0.00 O ATOM 694 CB ASN A 50 -9.855 1.837 -12.127 1.00 0.00 C ATOM 695 CG ASN A 50 -9.980 3.329 -11.888 1.00 0.00 C ATOM 696 OD1 ASN A 50 -9.973 4.123 -12.828 1.00 0.00 O ATOM 697 ND2 ASN A 50 -10.096 3.717 -10.623 1.00 0.00 N ATOM 0 H ASN A 50 -12.300 1.309 -11.362 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.984 1.809 -13.955 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.852 1.317 -11.169 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.899 1.627 -12.606 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.184 4.708 -10.400 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.097 3.024 -9.875 1.00 0.00 H new ATOM 704 N TYR A 51 -11.173 -1.021 -12.286 1.00 0.00 N ATOM 705 CA TYR A 51 -11.030 -2.469 -12.398 1.00 0.00 C ATOM 706 C TYR A 51 -9.559 -2.871 -12.481 1.00 0.00 C ATOM 707 O TYR A 51 -8.978 -3.337 -11.500 1.00 0.00 O ATOM 708 CB TYR A 51 -11.787 -2.986 -13.624 1.00 0.00 C ATOM 709 CG TYR A 51 -13.276 -2.725 -13.570 1.00 0.00 C ATOM 710 CD1 TYR A 51 -14.054 -3.244 -12.544 1.00 0.00 C ATOM 711 CD2 TYR A 51 -13.901 -1.959 -14.546 1.00 0.00 C ATOM 712 CE1 TYR A 51 -15.415 -3.008 -12.491 1.00 0.00 C ATOM 713 CE2 TYR A 51 -15.261 -1.718 -14.500 1.00 0.00 C ATOM 714 CZ TYR A 51 -16.013 -2.244 -13.471 1.00 0.00 C ATOM 715 OH TYR A 51 -17.368 -2.007 -13.422 1.00 0.00 O ATOM 0 H TYR A 51 -11.599 -0.708 -11.414 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.457 -2.919 -11.502 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.377 -2.517 -14.518 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.618 -4.059 -13.720 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -13.588 -3.842 -11.775 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -13.315 -1.545 -15.353 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.007 -3.420 -11.687 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -15.732 -1.121 -15.266 1.00 0.00 H new ATOM 0 HH TYR A 51 -17.631 -1.451 -14.185 1.00 0.00 H new ATOM 725 N ASN A 52 -8.961 -2.689 -13.654 1.00 0.00 N ATOM 726 CA ASN A 52 -7.559 -3.034 -13.860 1.00 0.00 C ATOM 727 C ASN A 52 -6.965 -2.229 -15.012 1.00 0.00 C ATOM 728 O ASN A 52 -5.868 -1.681 -14.897 1.00 0.00 O ATOM 729 CB ASN A 52 -7.416 -4.531 -14.140 1.00 0.00 C ATOM 730 CG ASN A 52 -8.180 -4.964 -15.376 1.00 0.00 C ATOM 731 OD1 ASN A 52 -9.400 -4.813 -15.451 1.00 0.00 O ATOM 732 ND2 ASN A 52 -7.464 -5.505 -16.355 1.00 0.00 N ATOM 0 H ASN A 52 -9.426 -2.304 -14.477 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.012 -2.789 -12.949 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.361 -4.775 -14.264 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.774 -5.095 -13.279 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.923 -5.814 -17.212 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.455 -5.611 -16.250 1.00 0.00 H new ATOM 739 N LYS A 53 -7.699 -2.162 -16.121 1.00 0.00 N ATOM 740 CA LYS A 53 -7.256 -1.425 -17.305 1.00 0.00 C ATOM 741 C LYS A 53 -5.782 -1.687 -17.607 1.00 0.00 C ATOM 742 O LYS A 53 -4.995 -0.755 -17.777 1.00 0.00 O ATOM 743 CB LYS A 53 -7.496 0.077 -17.121 1.00 0.00 C ATOM 744 CG LYS A 53 -6.753 0.680 -15.940 1.00 0.00 C ATOM 745 CD LYS A 53 -6.984 2.179 -15.844 1.00 0.00 C ATOM 746 CE LYS A 53 -6.240 2.783 -14.664 1.00 0.00 C ATOM 747 NZ LYS A 53 -6.458 4.252 -14.562 1.00 0.00 N ATOM 0 H LYS A 53 -8.609 -2.612 -16.225 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.842 -1.779 -18.153 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.195 0.597 -18.031 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.564 0.251 -16.993 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.082 0.200 -15.018 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.686 0.481 -16.040 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.656 2.659 -16.766 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.051 2.378 -15.743 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.570 2.302 -13.743 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.174 2.581 -14.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.934 4.625 -13.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.120 4.714 -15.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.473 4.445 -14.440 1.00 0.00 H new ATOM 761 N GLN A 54 -5.415 -2.963 -17.675 1.00 0.00 N ATOM 762 CA GLN A 54 -4.038 -3.348 -17.958 1.00 0.00 C ATOM 763 C GLN A 54 -3.958 -4.809 -18.390 1.00 0.00 C ATOM 764 O GLN A 54 -3.120 -5.568 -17.903 1.00 0.00 O ATOM 765 CB GLN A 54 -3.159 -3.117 -16.726 1.00 0.00 C ATOM 766 CG GLN A 54 -3.600 -3.910 -15.507 1.00 0.00 C ATOM 767 CD GLN A 54 -2.717 -3.663 -14.300 1.00 0.00 C ATOM 768 OE1 GLN A 54 -2.596 -2.534 -13.825 1.00 0.00 O ATOM 769 NE2 GLN A 54 -2.092 -4.721 -13.797 1.00 0.00 N ATOM 0 H GLN A 54 -6.053 -3.747 -17.538 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.674 -2.727 -18.777 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.130 -3.382 -16.969 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.165 -2.055 -16.480 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.629 -3.647 -15.260 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.592 -4.973 -15.747 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.221 -5.639 -14.222 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.483 -4.616 -12.985 1.00 0.00 H new ATOM 778 N ALA A 55 -4.835 -5.197 -19.310 1.00 0.00 N ATOM 779 CA ALA A 55 -4.863 -6.566 -19.810 1.00 0.00 C ATOM 780 C ALA A 55 -3.805 -6.778 -20.887 1.00 0.00 C ATOM 781 O ALA A 55 -4.083 -6.645 -22.079 1.00 0.00 O ATOM 782 CB ALA A 55 -6.245 -6.902 -20.351 1.00 0.00 C ATOM 0 H ALA A 55 -5.536 -4.582 -19.724 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.638 -7.235 -18.980 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.251 -7.927 -20.721 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.982 -6.799 -19.555 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.493 -6.221 -21.165 1.00 0.00 H new ATOM 788 N SER A 56 -2.591 -7.108 -20.459 1.00 0.00 N ATOM 789 CA SER A 56 -1.490 -7.337 -21.388 1.00 0.00 C ATOM 790 C SER A 56 -0.490 -8.337 -20.816 1.00 0.00 C ATOM 791 O SER A 56 -0.013 -9.226 -21.523 1.00 0.00 O ATOM 792 CB SER A 56 -0.783 -6.018 -21.707 1.00 0.00 C ATOM 793 OG SER A 56 0.297 -6.221 -22.602 1.00 0.00 O ATOM 0 H SER A 56 -2.345 -7.223 -19.476 1.00 0.00 H new ATOM 0 HA SER A 56 -1.905 -7.753 -22.306 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.494 -5.317 -22.144 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.416 -5.567 -20.785 1.00 0.00 H new ATOM 0 HG SER A 56 0.731 -5.363 -22.791 1.00 0.00 H new ATOM 799 N GLU A 57 -0.174 -8.185 -19.533 1.00 0.00 N ATOM 800 CA GLU A 57 0.770 -9.072 -18.862 1.00 0.00 C ATOM 801 C GLU A 57 2.171 -8.915 -19.444 1.00 0.00 C ATOM 802 O GLU A 57 2.636 -9.760 -20.209 1.00 0.00 O ATOM 803 CB GLU A 57 0.318 -10.530 -18.980 1.00 0.00 C ATOM 804 CG GLU A 57 -1.077 -10.780 -18.430 1.00 0.00 C ATOM 805 CD GLU A 57 -1.501 -12.230 -18.558 1.00 0.00 C ATOM 806 OE1 GLU A 57 -1.558 -12.733 -19.699 1.00 0.00 O ATOM 807 OE2 GLU A 57 -1.775 -12.862 -17.516 1.00 0.00 O ATOM 0 H GLU A 57 -0.560 -7.453 -18.936 1.00 0.00 H new ATOM 0 HA GLU A 57 0.797 -8.795 -17.808 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.345 -10.826 -20.029 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.028 -11.166 -18.451 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.108 -10.487 -17.381 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.791 -10.148 -18.958 1.00 0.00 H new ATOM 814 N GLN A 58 2.841 -7.830 -19.070 1.00 0.00 N ATOM 815 CA GLN A 58 4.192 -7.562 -19.547 1.00 0.00 C ATOM 816 C GLN A 58 5.190 -7.581 -18.392 1.00 0.00 C ATOM 817 O GLN A 58 6.329 -7.139 -18.536 1.00 0.00 O ATOM 818 CB GLN A 58 4.246 -6.210 -20.261 1.00 0.00 C ATOM 819 CG GLN A 58 3.328 -6.123 -21.469 1.00 0.00 C ATOM 820 CD GLN A 58 3.656 -7.159 -22.526 1.00 0.00 C ATOM 821 OE1 GLN A 58 4.765 -7.188 -23.060 1.00 0.00 O ATOM 822 NE2 GLN A 58 2.690 -8.017 -22.834 1.00 0.00 N ATOM 0 H GLN A 58 2.469 -7.121 -18.437 1.00 0.00 H new ATOM 0 HA GLN A 58 4.464 -8.347 -20.252 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.978 -5.424 -19.554 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.271 -6.017 -20.579 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.295 -6.253 -21.146 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.402 -5.127 -21.906 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.786 -7.956 -22.366 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.853 -8.737 -23.538 1.00 0.00 H new ATOM 831 N ASN A 59 4.756 -8.102 -17.247 1.00 0.00 N ATOM 832 CA ASN A 59 5.611 -8.186 -16.072 1.00 0.00 C ATOM 833 C ASN A 59 5.829 -9.638 -15.678 1.00 0.00 C ATOM 834 O ASN A 59 5.935 -9.968 -14.497 1.00 0.00 O ATOM 835 CB ASN A 59 4.989 -7.416 -14.907 1.00 0.00 C ATOM 836 CG ASN A 59 3.619 -7.946 -14.531 1.00 0.00 C ATOM 837 OD1 ASN A 59 3.475 -9.104 -14.140 1.00 0.00 O ATOM 838 ND2 ASN A 59 2.603 -7.100 -14.654 1.00 0.00 N ATOM 0 H ASN A 59 3.815 -8.472 -17.111 1.00 0.00 H new ATOM 0 HA ASN A 59 6.575 -7.740 -16.315 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.649 -7.476 -14.042 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.908 -6.362 -15.173 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.657 -7.402 -14.420 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.769 -6.148 -14.982 1.00 0.00 H new ATOM 845 N TRP A 60 5.890 -10.503 -16.682 1.00 0.00 N ATOM 846 CA TRP A 60 6.089 -11.926 -16.455 1.00 0.00 C ATOM 847 C TRP A 60 7.518 -12.341 -16.788 1.00 0.00 C ATOM 848 O TRP A 60 8.125 -13.136 -16.070 1.00 0.00 O ATOM 849 CB TRP A 60 5.107 -12.734 -17.302 1.00 0.00 C ATOM 850 CG TRP A 60 5.218 -12.440 -18.766 1.00 0.00 C ATOM 851 CD1 TRP A 60 4.802 -11.309 -19.408 1.00 0.00 C ATOM 852 CD2 TRP A 60 5.802 -13.279 -19.768 1.00 0.00 C ATOM 853 NE1 TRP A 60 5.085 -11.396 -20.747 1.00 0.00 N ATOM 854 CE2 TRP A 60 5.700 -12.595 -20.993 1.00 0.00 C ATOM 855 CE3 TRP A 60 6.400 -14.542 -19.750 1.00 0.00 C ATOM 856 CZ2 TRP A 60 6.173 -13.129 -22.185 1.00 0.00 C ATOM 857 CZ3 TRP A 60 6.870 -15.073 -20.936 1.00 0.00 C ATOM 858 CH2 TRP A 60 6.755 -14.366 -22.140 1.00 0.00 C ATOM 0 H TRP A 60 5.804 -10.242 -17.664 1.00 0.00 H new ATOM 0 HA TRP A 60 5.910 -12.128 -15.399 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.282 -13.797 -17.136 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.090 -12.523 -16.971 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.320 -10.468 -18.931 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.872 -10.684 -21.446 1.00 0.00 H new ATOM 0 HE3 TRP A 60 6.493 -15.093 -18.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.084 -12.586 -23.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 7.333 -16.049 -20.935 1.00 0.00 H new ATOM 0 HH2 TRP A 60 7.133 -14.806 -23.051 1.00 0.00 H new ATOM 869 N ALA A 61 8.050 -11.805 -17.883 1.00 0.00 N ATOM 870 CA ALA A 61 9.407 -12.136 -18.304 1.00 0.00 C ATOM 871 C ALA A 61 10.048 -11.018 -19.125 1.00 0.00 C ATOM 872 O ALA A 61 11.055 -11.237 -19.798 1.00 0.00 O ATOM 873 CB ALA A 61 9.402 -13.432 -19.099 1.00 0.00 C ATOM 0 H ALA A 61 7.566 -11.144 -18.491 1.00 0.00 H new ATOM 0 HA ALA A 61 10.007 -12.260 -17.403 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.419 -13.672 -19.410 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.012 -14.238 -18.478 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.771 -13.316 -19.980 1.00 0.00 H new ATOM 879 N ASN A 62 9.471 -9.822 -19.067 1.00 0.00 N ATOM 880 CA ASN A 62 10.008 -8.686 -19.808 1.00 0.00 C ATOM 881 C ASN A 62 10.859 -7.790 -18.909 1.00 0.00 C ATOM 882 O ASN A 62 11.490 -6.845 -19.383 1.00 0.00 O ATOM 883 CB ASN A 62 8.875 -7.873 -20.434 1.00 0.00 C ATOM 884 CG ASN A 62 8.081 -8.674 -21.447 1.00 0.00 C ATOM 885 OD1 ASN A 62 6.787 -8.827 -21.196 1.00 0.00 O flip ATOM 886 ND2 ASN A 62 8.625 -9.149 -22.444 1.00 0.00 N flip ATOM 0 H ASN A 62 8.637 -9.615 -18.518 1.00 0.00 H new ATOM 0 HA ASN A 62 10.646 -9.078 -20.601 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.206 -7.521 -19.648 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.290 -6.989 -20.918 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.623 -9.006 -22.597 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.077 -9.685 -23.117 1.00 0.00 H new ATOM 893 N TYR A 63 10.875 -8.088 -17.610 1.00 0.00 N ATOM 894 CA TYR A 63 11.650 -7.303 -16.655 1.00 0.00 C ATOM 895 C TYR A 63 11.271 -5.828 -16.730 1.00 0.00 C ATOM 896 O TYR A 63 12.103 -4.950 -16.501 1.00 0.00 O ATOM 897 CB TYR A 63 13.148 -7.470 -16.920 1.00 0.00 C ATOM 898 CG TYR A 63 13.636 -8.895 -16.779 1.00 0.00 C ATOM 899 CD1 TYR A 63 13.151 -9.903 -17.605 1.00 0.00 C ATOM 900 CD2 TYR A 63 14.581 -9.233 -15.819 1.00 0.00 C ATOM 901 CE1 TYR A 63 13.594 -11.206 -17.476 1.00 0.00 C ATOM 902 CE2 TYR A 63 15.030 -10.533 -15.685 1.00 0.00 C ATOM 903 CZ TYR A 63 14.533 -11.515 -16.516 1.00 0.00 C ATOM 904 OH TYR A 63 14.977 -12.811 -16.385 1.00 0.00 O ATOM 0 H TYR A 63 10.361 -8.866 -17.197 1.00 0.00 H new ATOM 0 HA TYR A 63 11.423 -7.669 -15.654 1.00 0.00 H new ATOM 0 HB2 TYR A 63 13.371 -7.117 -17.927 1.00 0.00 H new ATOM 0 HB3 TYR A 63 13.703 -6.835 -16.229 1.00 0.00 H new ATOM 0 HD1 TYR A 63 12.416 -9.664 -18.360 1.00 0.00 H new ATOM 0 HD2 TYR A 63 14.972 -8.467 -15.166 1.00 0.00 H new ATOM 0 HE1 TYR A 63 13.206 -11.978 -18.124 1.00 0.00 H new ATOM 0 HE2 TYR A 63 15.766 -10.779 -14.934 1.00 0.00 H new ATOM 0 HH TYR A 63 15.638 -12.859 -15.663 1.00 0.00 H new ATOM 914 N SER A 64 10.011 -5.564 -17.055 1.00 0.00 N ATOM 915 CA SER A 64 9.520 -4.195 -17.164 1.00 0.00 C ATOM 916 C SER A 64 8.965 -3.701 -15.832 1.00 0.00 C ATOM 917 O SER A 64 8.996 -2.505 -15.542 1.00 0.00 O ATOM 918 CB SER A 64 8.439 -4.105 -18.243 1.00 0.00 C ATOM 919 OG SER A 64 7.338 -4.942 -17.935 1.00 0.00 O ATOM 0 H SER A 64 9.310 -6.280 -17.248 1.00 0.00 H new ATOM 0 HA SER A 64 10.360 -3.559 -17.442 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.100 -3.073 -18.337 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.859 -4.392 -19.207 1.00 0.00 H new ATOM 0 HG SER A 64 7.403 -5.772 -18.452 1.00 0.00 H new ATOM 925 N ALA A 65 8.456 -4.626 -15.025 1.00 0.00 N ATOM 926 CA ALA A 65 7.893 -4.278 -13.726 1.00 0.00 C ATOM 927 C ALA A 65 8.848 -4.636 -12.593 1.00 0.00 C ATOM 928 O ALA A 65 9.035 -3.858 -11.657 1.00 0.00 O ATOM 929 CB ALA A 65 6.554 -4.972 -13.529 1.00 0.00 C ATOM 0 H ALA A 65 8.422 -5.621 -15.247 1.00 0.00 H new ATOM 0 HA ALA A 65 7.740 -3.199 -13.705 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.145 -4.703 -12.555 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.863 -4.659 -14.312 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.693 -6.052 -13.579 1.00 0.00 H new ATOM 935 N GLU A 66 9.451 -5.817 -12.681 1.00 0.00 N ATOM 936 CA GLU A 66 10.386 -6.276 -11.659 1.00 0.00 C ATOM 937 C GLU A 66 9.697 -6.413 -10.306 1.00 0.00 C ATOM 938 O GLU A 66 10.354 -6.421 -9.266 1.00 0.00 O ATOM 939 CB GLU A 66 11.566 -5.307 -11.546 1.00 0.00 C ATOM 940 CG GLU A 66 12.350 -5.143 -12.839 1.00 0.00 C ATOM 941 CD GLU A 66 12.977 -6.441 -13.312 1.00 0.00 C ATOM 942 OE1 GLU A 66 12.224 -7.399 -13.588 1.00 0.00 O ATOM 943 OE2 GLU A 66 14.221 -6.498 -13.407 1.00 0.00 O ATOM 0 H GLU A 66 9.309 -6.473 -13.449 1.00 0.00 H new ATOM 0 HA GLU A 66 10.754 -7.257 -11.958 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.195 -4.332 -11.231 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.240 -5.659 -10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.687 -4.761 -13.615 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.132 -4.398 -12.693 1.00 0.00 H new ATOM 950 N GLN A 67 8.372 -6.531 -10.323 1.00 0.00 N ATOM 951 CA GLN A 67 7.611 -6.676 -9.090 1.00 0.00 C ATOM 952 C GLN A 67 7.885 -8.019 -8.443 1.00 0.00 C ATOM 953 O GLN A 67 8.363 -8.085 -7.317 1.00 0.00 O ATOM 954 CB GLN A 67 6.118 -6.529 -9.350 1.00 0.00 C ATOM 955 CG GLN A 67 5.719 -5.159 -9.872 1.00 0.00 C ATOM 956 CD GLN A 67 6.070 -4.042 -8.909 1.00 0.00 C ATOM 957 OE1 GLN A 67 5.599 -4.016 -7.772 1.00 0.00 O ATOM 958 NE2 GLN A 67 6.902 -3.111 -9.361 1.00 0.00 N ATOM 0 H GLN A 67 7.808 -6.529 -11.173 1.00 0.00 H new ATOM 0 HA GLN A 67 7.929 -5.884 -8.412 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.808 -7.286 -10.070 1.00 0.00 H new ATOM 0 HB3 GLN A 67 5.576 -6.727 -8.425 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.214 -4.980 -10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.646 -5.145 -10.062 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.268 -3.172 -10.311 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.175 -2.335 -8.758 1.00 0.00 H new ATOM 967 N ASN A 68 7.590 -9.094 -9.159 1.00 0.00 N ATOM 968 CA ASN A 68 7.827 -10.430 -8.635 1.00 0.00 C ATOM 969 C ASN A 68 9.253 -10.538 -8.141 1.00 0.00 C ATOM 970 O ASN A 68 9.531 -11.141 -7.100 1.00 0.00 O ATOM 971 CB ASN A 68 7.571 -11.478 -9.711 1.00 0.00 C ATOM 972 CG ASN A 68 6.159 -11.416 -10.260 1.00 0.00 C ATOM 973 OD1 ASN A 68 5.187 -11.579 -9.522 1.00 0.00 O ATOM 974 ND2 ASN A 68 6.040 -11.178 -11.561 1.00 0.00 N ATOM 0 H ASN A 68 7.189 -9.068 -10.097 1.00 0.00 H new ATOM 0 HA ASN A 68 7.142 -10.608 -7.806 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.281 -11.337 -10.526 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.753 -12.470 -9.298 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.115 -11.124 -11.987 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.874 -11.049 -12.134 1.00 0.00 H new ATOM 981 N ARG A 69 10.149 -9.925 -8.893 1.00 0.00 N ATOM 982 CA ARG A 69 11.549 -9.922 -8.544 1.00 0.00 C ATOM 983 C ARG A 69 11.759 -9.290 -7.181 1.00 0.00 C ATOM 984 O ARG A 69 12.491 -9.818 -6.344 1.00 0.00 O ATOM 985 CB ARG A 69 12.354 -9.163 -9.594 1.00 0.00 C ATOM 986 CG ARG A 69 12.664 -9.977 -10.839 1.00 0.00 C ATOM 987 CD ARG A 69 11.392 -10.443 -11.532 1.00 0.00 C ATOM 988 NE ARG A 69 11.676 -11.239 -12.724 1.00 0.00 N ATOM 989 CZ ARG A 69 12.258 -12.437 -12.697 1.00 0.00 C ATOM 990 NH1 ARG A 69 12.575 -13.004 -11.540 1.00 0.00 N ATOM 991 NH2 ARG A 69 12.510 -13.076 -13.831 1.00 0.00 N ATOM 0 H ARG A 69 9.926 -9.422 -9.752 1.00 0.00 H new ATOM 0 HA ARG A 69 11.894 -10.955 -8.508 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.802 -8.269 -9.884 1.00 0.00 H new ATOM 0 HB3 ARG A 69 13.291 -8.829 -9.148 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.257 -9.377 -11.529 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.270 -10.842 -10.568 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.796 -11.033 -10.836 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.792 -9.576 -11.810 1.00 0.00 H new ATOM 0 HE ARG A 69 11.413 -10.854 -13.631 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.373 -12.522 -10.664 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.020 -13.922 -11.527 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.258 -12.650 -14.723 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.956 -13.993 -13.811 1.00 0.00 H new ATOM 1005 N MET A 70 11.108 -8.156 -6.962 1.00 0.00 N ATOM 1006 CA MET A 70 11.231 -7.462 -5.683 1.00 0.00 C ATOM 1007 C MET A 70 10.428 -8.167 -4.604 1.00 0.00 C ATOM 1008 O MET A 70 10.758 -8.089 -3.421 1.00 0.00 O ATOM 1009 CB MET A 70 10.814 -5.996 -5.800 1.00 0.00 C ATOM 1010 CG MET A 70 9.404 -5.795 -6.320 1.00 0.00 C ATOM 1011 SD MET A 70 8.919 -4.058 -6.361 1.00 0.00 S ATOM 1012 CE MET A 70 10.155 -3.388 -7.470 1.00 0.00 C ATOM 0 H MET A 70 10.498 -7.701 -7.640 1.00 0.00 H new ATOM 0 HA MET A 70 12.282 -7.485 -5.396 1.00 0.00 H new ATOM 0 HB2 MET A 70 10.899 -5.525 -4.821 1.00 0.00 H new ATOM 0 HB3 MET A 70 11.511 -5.482 -6.462 1.00 0.00 H new ATOM 0 HG2 MET A 70 9.328 -6.213 -7.324 1.00 0.00 H new ATOM 0 HG3 MET A 70 8.707 -6.348 -5.691 1.00 0.00 H new ATOM 0 HE1 MET A 70 9.819 -2.423 -7.849 1.00 0.00 H new ATOM 0 HE2 MET A 70 11.095 -3.260 -6.933 1.00 0.00 H new ATOM 0 HE3 MET A 70 10.305 -4.073 -8.304 1.00 0.00 H new ATOM 1022 N GLY A 71 9.393 -8.886 -5.018 1.00 0.00 N ATOM 1023 CA GLY A 71 8.593 -9.625 -4.071 1.00 0.00 C ATOM 1024 C GLY A 71 9.439 -10.656 -3.365 1.00 0.00 C ATOM 1025 O GLY A 71 9.397 -10.786 -2.141 1.00 0.00 O ATOM 0 H GLY A 71 9.097 -8.968 -5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.156 -8.942 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.766 -10.114 -4.586 1.00 0.00 H new ATOM 1029 N GLN A 72 10.245 -11.361 -4.150 1.00 0.00 N ATOM 1030 CA GLN A 72 11.155 -12.360 -3.617 1.00 0.00 C ATOM 1031 C GLN A 72 12.304 -11.665 -2.904 1.00 0.00 C ATOM 1032 O GLN A 72 12.470 -11.784 -1.689 1.00 0.00 O ATOM 1033 CB GLN A 72 11.703 -13.228 -4.748 1.00 0.00 C ATOM 1034 CG GLN A 72 10.687 -14.202 -5.319 1.00 0.00 C ATOM 1035 CD GLN A 72 11.259 -15.052 -6.437 1.00 0.00 C ATOM 1036 OE1 GLN A 72 12.223 -15.791 -6.240 1.00 0.00 O ATOM 1037 NE2 GLN A 72 10.665 -14.950 -7.621 1.00 0.00 N ATOM 0 H GLN A 72 10.284 -11.256 -5.164 1.00 0.00 H new ATOM 0 HA GLN A 72 10.617 -12.995 -2.913 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.063 -12.581 -5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.563 -13.788 -4.380 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.325 -14.852 -4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.827 -13.647 -5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.868 -14.324 -7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.006 -15.497 -8.411 1.00 0.00 H new ATOM 1046 N ALA A 73 13.086 -10.927 -3.685 1.00 0.00 N ATOM 1047 CA ALA A 73 14.229 -10.176 -3.172 1.00 0.00 C ATOM 1048 C ALA A 73 13.906 -9.496 -1.843 1.00 0.00 C ATOM 1049 O ALA A 73 14.776 -9.339 -0.987 1.00 0.00 O ATOM 1050 CB ALA A 73 14.667 -9.138 -4.197 1.00 0.00 C ATOM 0 H ALA A 73 12.946 -10.832 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 73 15.042 -10.881 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.520 -8.581 -3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.951 -9.638 -5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 73 13.844 -8.451 -4.394 1.00 0.00 H new ATOM 1056 N GLY A 74 12.650 -9.091 -1.682 1.00 0.00 N ATOM 1057 CA GLY A 74 12.236 -8.430 -0.458 1.00 0.00 C ATOM 1058 C GLY A 74 11.729 -9.402 0.589 1.00 0.00 C ATOM 1059 O GLY A 74 11.876 -9.164 1.788 1.00 0.00 O ATOM 0 H GLY A 74 11.912 -9.209 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.077 -7.869 -0.050 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.452 -7.708 -0.687 1.00 0.00 H new ATOM 1063 N SER A 75 11.128 -10.499 0.139 1.00 0.00 N ATOM 1064 CA SER A 75 10.597 -11.507 1.051 1.00 0.00 C ATOM 1065 C SER A 75 11.717 -12.329 1.682 1.00 0.00 C ATOM 1066 O SER A 75 11.492 -13.036 2.663 1.00 0.00 O ATOM 1067 CB SER A 75 9.624 -12.431 0.316 1.00 0.00 C ATOM 1068 OG SER A 75 10.278 -13.154 -0.714 1.00 0.00 O ATOM 0 H SER A 75 10.996 -10.713 -0.850 1.00 0.00 H new ATOM 0 HA SER A 75 10.065 -10.987 1.848 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.176 -13.128 1.024 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.811 -11.842 -0.110 1.00 0.00 H new ATOM 0 HG SER A 75 11.124 -12.713 -0.937 1.00 0.00 H new ATOM 1074 N THR A 76 12.920 -12.230 1.115 1.00 0.00 N ATOM 1075 CA THR A 76 14.078 -12.962 1.623 1.00 0.00 C ATOM 1076 C THR A 76 13.799 -14.459 1.712 1.00 0.00 C ATOM 1077 O THR A 76 14.159 -15.221 0.815 1.00 0.00 O ATOM 1078 CB THR A 76 14.501 -12.414 2.990 1.00 0.00 C ATOM 1079 OG1 THR A 76 13.429 -12.478 3.914 1.00 0.00 O ATOM 1080 CG2 THR A 76 14.976 -10.979 2.937 1.00 0.00 C ATOM 0 H THR A 76 13.117 -11.648 0.301 1.00 0.00 H new ATOM 0 HA THR A 76 14.896 -12.818 0.918 1.00 0.00 H new ATOM 0 HB THR A 76 15.331 -13.045 3.308 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.722 -12.124 4.780 1.00 0.00 H new ATOM 0 HG21 THR A 76 15.260 -10.653 3.937 1.00 0.00 H new ATOM 0 HG22 THR A 76 15.837 -10.905 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.173 -10.344 2.563 1.00 0.00 H new ATOM 1088 N ILE A 77 13.159 -14.873 2.796 1.00 0.00 N ATOM 1089 CA ILE A 77 12.834 -16.276 3.005 1.00 0.00 C ATOM 1090 C ILE A 77 14.100 -17.112 3.154 1.00 0.00 C ATOM 1091 O ILE A 77 14.725 -17.496 2.164 1.00 0.00 O ATOM 1092 CB ILE A 77 11.986 -16.838 1.846 1.00 0.00 C ATOM 1093 CG1 ILE A 77 10.715 -16.008 1.670 1.00 0.00 C ATOM 1094 CG2 ILE A 77 11.637 -18.299 2.097 1.00 0.00 C ATOM 1095 CD1 ILE A 77 9.834 -15.986 2.900 1.00 0.00 C ATOM 0 H ILE A 77 12.854 -14.254 3.547 1.00 0.00 H new ATOM 0 HA ILE A 77 12.253 -16.335 3.925 1.00 0.00 H new ATOM 0 HB ILE A 77 12.571 -16.779 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.991 -14.986 1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.144 -16.405 0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.039 -18.678 1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.554 -18.883 2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.069 -18.383 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.950 -15.379 2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.528 -17.003 3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.388 -15.561 3.737 1.00 0.00 H new ATOM 1107 N SER A 78 14.470 -17.395 4.397 1.00 0.00 N ATOM 1108 CA SER A 78 15.657 -18.191 4.681 1.00 0.00 C ATOM 1109 C SER A 78 15.264 -19.583 5.158 1.00 0.00 C ATOM 1110 O SER A 78 15.989 -20.554 4.945 1.00 0.00 O ATOM 1111 CB SER A 78 16.523 -17.500 5.736 1.00 0.00 C ATOM 1112 OG SER A 78 16.947 -16.223 5.293 1.00 0.00 O ATOM 0 H SER A 78 13.964 -17.084 5.226 1.00 0.00 H new ATOM 0 HA SER A 78 16.234 -18.287 3.761 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.959 -17.398 6.663 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.393 -18.118 5.958 1.00 0.00 H new ATOM 0 HG SER A 78 17.497 -15.802 5.986 1.00 0.00 H new ATOM 1118 N ASN A 79 14.106 -19.668 5.802 1.00 0.00 N ATOM 1119 CA ASN A 79 13.604 -20.939 6.310 1.00 0.00 C ATOM 1120 C ASN A 79 12.183 -21.193 5.820 1.00 0.00 C ATOM 1121 O ASN A 79 11.842 -22.309 5.431 1.00 0.00 O ATOM 1122 CB ASN A 79 13.639 -20.951 7.838 1.00 0.00 C ATOM 1123 CG ASN A 79 13.196 -22.282 8.413 1.00 0.00 C ATOM 1124 OD1 ASN A 79 12.090 -22.271 9.146 1.00 0.00 O flip ATOM 1125 ND2 ASN A 79 13.837 -23.310 8.194 1.00 0.00 N flip ATOM 0 H ASN A 79 13.496 -18.871 5.985 1.00 0.00 H new ATOM 0 HA ASN A 79 14.248 -21.734 5.934 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.651 -20.730 8.178 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.994 -20.160 8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.682 -23.272 7.624 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.523 -24.199 8.582 1.00 0.00 H new ATOM 1132 N SER A 80 11.359 -20.146 5.848 1.00 0.00 N ATOM 1133 CA SER A 80 9.966 -20.237 5.410 1.00 0.00 C ATOM 1134 C SER A 80 9.113 -20.939 6.459 1.00 0.00 C ATOM 1135 O SER A 80 8.635 -22.054 6.247 1.00 0.00 O ATOM 1136 CB SER A 80 9.857 -20.965 4.066 1.00 0.00 C ATOM 1137 OG SER A 80 8.517 -20.981 3.604 1.00 0.00 O ATOM 0 H SER A 80 11.634 -19.219 6.172 1.00 0.00 H new ATOM 0 HA SER A 80 9.593 -19.221 5.281 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.493 -20.474 3.330 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.221 -21.987 4.171 1.00 0.00 H new ATOM 0 HG SER A 80 8.473 -21.449 2.744 1.00 0.00 H new ATOM 1143 N HIS A 81 8.925 -20.271 7.591 1.00 0.00 N ATOM 1144 CA HIS A 81 8.128 -20.815 8.683 1.00 0.00 C ATOM 1145 C HIS A 81 6.905 -19.942 8.952 1.00 0.00 C ATOM 1146 O HIS A 81 6.341 -19.973 10.045 1.00 0.00 O ATOM 1147 CB HIS A 81 8.976 -20.914 9.952 1.00 0.00 C ATOM 1148 CG HIS A 81 9.614 -19.615 10.333 1.00 0.00 C ATOM 1149 ND1 HIS A 81 8.896 -18.452 10.514 1.00 0.00 N ATOM 1150 CD2 HIS A 81 10.911 -19.290 10.553 1.00 0.00 C ATOM 1151 CE1 HIS A 81 9.720 -17.471 10.821 1.00 0.00 C ATOM 1152 NE2 HIS A 81 10.949 -17.952 10.854 1.00 0.00 N ATOM 0 H HIS A 81 9.316 -19.347 7.777 1.00 0.00 H new ATOM 0 HA HIS A 81 7.789 -21.810 8.393 1.00 0.00 H new ATOM 0 HB2 HIS A 81 8.350 -21.260 10.774 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.753 -21.665 9.805 1.00 0.00 H new ATOM 0 HD2 HIS A 81 11.757 -19.959 10.501 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.438 -16.446 11.013 1.00 0.00 H new ATOM 0 HE2 HIS A 81 11.790 -17.416 11.068 1.00 0.00 H new ATOM 1161 N ALA A 82 6.505 -19.157 7.955 1.00 0.00 N ATOM 1162 CA ALA A 82 5.353 -18.271 8.091 1.00 0.00 C ATOM 1163 C ALA A 82 4.053 -19.060 8.151 1.00 0.00 C ATOM 1164 O ALA A 82 3.177 -18.913 7.298 1.00 0.00 O ATOM 1165 CB ALA A 82 5.322 -17.272 6.943 1.00 0.00 C ATOM 0 H ALA A 82 6.962 -19.117 7.044 1.00 0.00 H new ATOM 0 HA ALA A 82 5.452 -17.726 9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.459 -16.616 7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.234 -16.676 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.251 -17.808 5.996 1.00 0.00 H new ATOM 1171 N GLN A 83 3.936 -19.892 9.175 1.00 0.00 N ATOM 1172 CA GLN A 83 2.743 -20.705 9.372 1.00 0.00 C ATOM 1173 C GLN A 83 2.058 -20.357 10.694 1.00 0.00 C ATOM 1174 O GLN A 83 0.850 -20.126 10.726 1.00 0.00 O ATOM 1175 CB GLN A 83 3.087 -22.197 9.326 1.00 0.00 C ATOM 1176 CG GLN A 83 3.716 -22.636 8.013 1.00 0.00 C ATOM 1177 CD GLN A 83 4.045 -24.116 7.991 1.00 0.00 C ATOM 1178 OE1 GLN A 83 4.826 -24.602 8.809 1.00 0.00 O ATOM 1179 NE2 GLN A 83 3.451 -24.840 7.050 1.00 0.00 N ATOM 0 H GLN A 83 4.656 -20.023 9.886 1.00 0.00 H new ATOM 0 HA GLN A 83 2.051 -20.486 8.559 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.771 -22.429 10.142 1.00 0.00 H new ATOM 0 HB3 GLN A 83 2.179 -22.776 9.496 1.00 0.00 H new ATOM 0 HG2 GLN A 83 3.035 -22.407 7.193 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.627 -22.062 7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.810 -24.395 6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.635 -25.841 6.984 1.00 0.00 H new ATOM 1188 N PRO A 84 2.814 -20.310 11.811 1.00 0.00 N ATOM 1189 CA PRO A 84 2.254 -19.985 13.124 1.00 0.00 C ATOM 1190 C PRO A 84 1.797 -18.532 13.215 1.00 0.00 C ATOM 1191 O PRO A 84 0.874 -18.212 13.964 1.00 0.00 O ATOM 1192 CB PRO A 84 3.413 -20.244 14.097 1.00 0.00 C ATOM 1193 CG PRO A 84 4.421 -21.016 13.317 1.00 0.00 C ATOM 1194 CD PRO A 84 4.259 -20.567 11.898 1.00 0.00 C ATOM 0 HA PRO A 84 1.366 -20.580 13.340 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.834 -19.308 14.465 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.076 -20.806 14.968 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.431 -20.820 13.678 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.252 -22.089 13.411 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.844 -19.672 11.686 1.00 0.00 H new ATOM 0 HD3 PRO A 84 4.579 -21.332 11.191 1.00 0.00 H new ATOM 1202 N PHE A 85 2.437 -17.653 12.445 1.00 0.00 N ATOM 1203 CA PHE A 85 2.070 -16.238 12.450 1.00 0.00 C ATOM 1204 C PHE A 85 2.011 -15.683 11.036 1.00 0.00 C ATOM 1205 O PHE A 85 1.110 -14.917 10.696 1.00 0.00 O ATOM 1206 CB PHE A 85 3.060 -15.409 13.277 1.00 0.00 C ATOM 1207 CG PHE A 85 3.096 -15.773 14.733 1.00 0.00 C ATOM 1208 CD1 PHE A 85 3.705 -16.942 15.151 1.00 0.00 C ATOM 1209 CD2 PHE A 85 2.515 -14.947 15.682 1.00 0.00 C ATOM 1210 CE1 PHE A 85 3.736 -17.284 16.489 1.00 0.00 C ATOM 1211 CE2 PHE A 85 2.543 -15.283 17.022 1.00 0.00 C ATOM 1212 CZ PHE A 85 3.155 -16.453 17.427 1.00 0.00 C ATOM 0 H PHE A 85 3.204 -17.892 11.816 1.00 0.00 H new ATOM 0 HA PHE A 85 1.082 -16.166 12.904 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.059 -15.531 12.858 1.00 0.00 H new ATOM 0 HB3 PHE A 85 2.802 -14.354 13.183 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.162 -17.595 14.423 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.035 -14.031 15.371 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.214 -18.201 16.801 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.087 -14.631 17.752 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.179 -16.717 18.474 1.00 0.00 H new ATOM 1222 N ASP A 86 2.984 -16.064 10.217 1.00 0.00 N ATOM 1223 CA ASP A 86 3.046 -15.588 8.838 1.00 0.00 C ATOM 1224 C ASP A 86 2.938 -14.065 8.805 1.00 0.00 C ATOM 1225 O ASP A 86 2.082 -13.502 8.123 1.00 0.00 O ATOM 1226 CB ASP A 86 1.925 -16.220 8.007 1.00 0.00 C ATOM 1227 CG ASP A 86 2.083 -15.965 6.519 1.00 0.00 C ATOM 1228 OD1 ASP A 86 2.078 -14.785 6.111 1.00 0.00 O ATOM 1229 OD2 ASP A 86 2.211 -16.949 5.761 1.00 0.00 O ATOM 0 H ASP A 86 3.738 -16.698 10.481 1.00 0.00 H new ATOM 0 HA ASP A 86 4.003 -15.881 8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.907 -17.295 8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.965 -15.825 8.339 1.00 0.00 H new ATOM 1234 N PHE A 87 3.804 -13.406 9.568 1.00 0.00 N ATOM 1235 CA PHE A 87 3.801 -11.948 9.647 1.00 0.00 C ATOM 1236 C PHE A 87 5.167 -11.354 9.301 1.00 0.00 C ATOM 1237 O PHE A 87 5.876 -10.853 10.174 1.00 0.00 O ATOM 1238 CB PHE A 87 3.359 -11.497 11.046 1.00 0.00 C ATOM 1239 CG PHE A 87 4.198 -12.022 12.191 1.00 0.00 C ATOM 1240 CD1 PHE A 87 5.367 -12.743 11.974 1.00 0.00 C ATOM 1241 CD2 PHE A 87 3.805 -11.781 13.497 1.00 0.00 C ATOM 1242 CE1 PHE A 87 6.119 -13.209 13.036 1.00 0.00 C ATOM 1243 CE2 PHE A 87 4.554 -12.246 14.562 1.00 0.00 C ATOM 1244 CZ PHE A 87 5.711 -12.960 14.331 1.00 0.00 C ATOM 0 H PHE A 87 4.517 -13.858 10.141 1.00 0.00 H new ATOM 0 HA PHE A 87 3.090 -11.578 8.908 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.371 -10.408 11.079 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.326 -11.810 11.201 1.00 0.00 H new ATOM 0 HD1 PHE A 87 5.691 -12.941 10.963 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.901 -11.222 13.686 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.025 -13.767 12.853 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.233 -12.050 15.574 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.297 -13.324 15.162 1.00 0.00 H new ATOM 1254 N PRO A 88 5.550 -11.387 8.013 1.00 0.00 N ATOM 1255 CA PRO A 88 6.831 -10.839 7.556 1.00 0.00 C ATOM 1256 C PRO A 88 7.014 -9.386 7.980 1.00 0.00 C ATOM 1257 O PRO A 88 6.076 -8.747 8.458 1.00 0.00 O ATOM 1258 CB PRO A 88 6.758 -10.950 6.025 1.00 0.00 C ATOM 1259 CG PRO A 88 5.323 -11.216 5.712 1.00 0.00 C ATOM 1260 CD PRO A 88 4.767 -11.943 6.902 1.00 0.00 C ATOM 0 HA PRO A 88 7.677 -11.375 7.986 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.100 -10.031 5.548 1.00 0.00 H new ATOM 0 HB3 PRO A 88 7.395 -11.755 5.659 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.783 -10.286 5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.226 -11.817 4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.700 -11.759 7.027 1.00 0.00 H new ATOM 0 HD3 PRO A 88 4.897 -13.022 6.815 1.00 0.00 H new ATOM 1268 N ASP A 89 8.227 -8.868 7.808 1.00 0.00 N ATOM 1269 CA ASP A 89 8.525 -7.490 8.181 1.00 0.00 C ATOM 1270 C ASP A 89 8.296 -7.278 9.675 1.00 0.00 C ATOM 1271 O ASP A 89 7.379 -6.561 10.077 1.00 0.00 O ATOM 1272 CB ASP A 89 7.656 -6.522 7.375 1.00 0.00 C ATOM 1273 CG ASP A 89 7.877 -6.654 5.881 1.00 0.00 C ATOM 1274 OD1 ASP A 89 7.645 -7.757 5.342 1.00 0.00 O ATOM 1275 OD2 ASP A 89 8.283 -5.655 5.250 1.00 0.00 O ATOM 0 H ASP A 89 9.016 -9.380 7.414 1.00 0.00 H new ATOM 0 HA ASP A 89 9.574 -7.293 7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.606 -6.706 7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.874 -5.499 7.683 1.00 0.00 H new ATOM 1280 N ASP A 90 9.128 -7.914 10.495 1.00 0.00 N ATOM 1281 CA ASP A 90 9.005 -7.800 11.943 1.00 0.00 C ATOM 1282 C ASP A 90 10.133 -6.957 12.533 1.00 0.00 C ATOM 1283 O ASP A 90 9.942 -5.781 12.842 1.00 0.00 O ATOM 1284 CB ASP A 90 8.989 -9.191 12.584 1.00 0.00 C ATOM 1285 CG ASP A 90 8.869 -9.134 14.095 1.00 0.00 C ATOM 1286 OD1 ASP A 90 9.761 -8.544 14.740 1.00 0.00 O ATOM 1287 OD2 ASP A 90 7.883 -9.680 14.633 1.00 0.00 O ATOM 0 H ASP A 90 9.893 -8.512 10.181 1.00 0.00 H new ATOM 0 HA ASP A 90 8.063 -7.297 12.161 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.156 -9.765 12.178 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.902 -9.722 12.315 1.00 0.00 H new ATOM 1292 N ASN A 91 11.306 -7.563 12.699 1.00 0.00 N ATOM 1293 CA ASN A 91 12.451 -6.859 13.265 1.00 0.00 C ATOM 1294 C ASN A 91 13.571 -6.687 12.240 1.00 0.00 C ATOM 1295 O ASN A 91 13.927 -5.562 11.892 1.00 0.00 O ATOM 1296 CB ASN A 91 12.963 -7.591 14.508 1.00 0.00 C ATOM 1297 CG ASN A 91 13.119 -9.083 14.285 1.00 0.00 C ATOM 1298 OD1 ASN A 91 12.154 -9.778 13.969 1.00 0.00 O ATOM 1299 ND2 ASN A 91 14.337 -9.582 14.450 1.00 0.00 N ATOM 0 H ASN A 91 11.487 -8.536 12.451 1.00 0.00 H new ATOM 0 HA ASN A 91 12.119 -5.862 13.555 1.00 0.00 H new ATOM 0 HB2 ASN A 91 13.924 -7.169 14.803 1.00 0.00 H new ATOM 0 HB3 ASN A 91 12.273 -7.421 15.335 1.00 0.00 H new ATOM 0 HD21 ASN A 91 14.502 -10.579 14.314 1.00 0.00 H new ATOM 0 HD22 ASN A 91 15.108 -8.968 14.712 1.00 0.00 H new ATOM 1306 N GLN A 92 14.122 -7.797 11.755 1.00 0.00 N ATOM 1307 CA GLN A 92 15.198 -7.744 10.770 1.00 0.00 C ATOM 1308 C GLN A 92 14.679 -7.220 9.437 1.00 0.00 C ATOM 1309 O GLN A 92 15.259 -6.310 8.842 1.00 0.00 O ATOM 1310 CB GLN A 92 15.820 -9.129 10.579 1.00 0.00 C ATOM 1311 CG GLN A 92 16.463 -9.689 11.837 1.00 0.00 C ATOM 1312 CD GLN A 92 17.087 -11.053 11.615 1.00 0.00 C ATOM 1313 OE1 GLN A 92 17.986 -11.210 10.789 1.00 0.00 O ATOM 1314 NE2 GLN A 92 16.611 -12.048 12.354 1.00 0.00 N ATOM 0 H GLN A 92 13.843 -8.740 12.027 1.00 0.00 H new ATOM 0 HA GLN A 92 15.964 -7.063 11.141 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.049 -9.820 10.237 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.571 -9.075 9.791 1.00 0.00 H new ATOM 0 HG2 GLN A 92 17.228 -8.997 12.189 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.712 -9.761 12.624 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.865 -11.872 13.027 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.992 -12.989 12.249 1.00 0.00 H new ATOM 1323 N ASN A 93 13.581 -7.802 8.975 1.00 0.00 N ATOM 1324 CA ASN A 93 12.974 -7.401 7.714 1.00 0.00 C ATOM 1325 C ASN A 93 12.399 -5.992 7.816 1.00 0.00 C ATOM 1326 O ASN A 93 12.346 -5.260 6.828 1.00 0.00 O ATOM 1327 CB ASN A 93 11.877 -8.391 7.326 1.00 0.00 C ATOM 1328 CG ASN A 93 12.392 -9.807 7.224 1.00 0.00 C ATOM 1329 OD1 ASN A 93 13.297 -10.098 6.442 1.00 0.00 O ATOM 1330 ND2 ASN A 93 11.813 -10.697 8.013 1.00 0.00 N ATOM 0 H ASN A 93 13.091 -8.556 9.457 1.00 0.00 H new ATOM 0 HA ASN A 93 13.744 -7.401 6.943 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.076 -8.350 8.065 1.00 0.00 H new ATOM 0 HB3 ASN A 93 11.445 -8.094 6.370 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.113 -11.672 7.989 1.00 0.00 H new ATOM 0 HD22 ASN A 93 11.066 -10.409 8.645 1.00 0.00 H new ATOM 1337 N ALA A 94 11.969 -5.618 9.016 1.00 0.00 N ATOM 1338 CA ALA A 94 11.398 -4.297 9.244 1.00 0.00 C ATOM 1339 C ALA A 94 12.480 -3.220 9.283 1.00 0.00 C ATOM 1340 O ALA A 94 12.242 -2.078 8.893 1.00 0.00 O ATOM 1341 CB ALA A 94 10.596 -4.287 10.537 1.00 0.00 C ATOM 0 H ALA A 94 12.005 -6.211 9.845 1.00 0.00 H new ATOM 0 HA ALA A 94 10.733 -4.071 8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.175 -3.294 10.696 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.790 -5.017 10.471 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.249 -4.542 11.372 1.00 0.00 H new ATOM 1347 N LYS A 95 13.666 -3.585 9.762 1.00 0.00 N ATOM 1348 CA LYS A 95 14.773 -2.637 9.855 1.00 0.00 C ATOM 1349 C LYS A 95 15.447 -2.425 8.502 1.00 0.00 C ATOM 1350 O LYS A 95 15.812 -1.302 8.154 1.00 0.00 O ATOM 1351 CB LYS A 95 15.810 -3.115 10.870 1.00 0.00 C ATOM 1352 CG LYS A 95 16.385 -4.482 10.539 1.00 0.00 C ATOM 1353 CD LYS A 95 17.502 -4.889 11.493 1.00 0.00 C ATOM 1354 CE LYS A 95 18.798 -4.140 11.213 1.00 0.00 C ATOM 1355 NZ LYS A 95 18.715 -2.700 11.585 1.00 0.00 N ATOM 0 H LYS A 95 13.885 -4.526 10.090 1.00 0.00 H new ATOM 0 HA LYS A 95 14.354 -1.686 10.185 1.00 0.00 H new ATOM 0 HB2 LYS A 95 16.621 -2.389 10.920 1.00 0.00 H new ATOM 0 HB3 LYS A 95 15.352 -3.150 11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 95 15.590 -5.226 10.576 1.00 0.00 H new ATOM 0 HG3 LYS A 95 16.767 -4.475 9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 95 17.189 -4.698 12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 95 17.678 -5.961 11.407 1.00 0.00 H new ATOM 0 HE2 LYS A 95 19.612 -4.609 11.766 1.00 0.00 H new ATOM 0 HE3 LYS A 95 19.042 -4.225 10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 19.616 -2.399 12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.525 -2.132 10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 17.946 -2.563 12.272 1.00 0.00 H new ATOM 1369 N LYS A 96 15.621 -3.505 7.743 1.00 0.00 N ATOM 1370 CA LYS A 96 16.265 -3.410 6.435 1.00 0.00 C ATOM 1371 C LYS A 96 15.253 -3.088 5.336 1.00 0.00 C ATOM 1372 O LYS A 96 15.517 -3.311 4.154 1.00 0.00 O ATOM 1373 CB LYS A 96 17.002 -4.710 6.104 1.00 0.00 C ATOM 1374 CG LYS A 96 16.084 -5.902 5.897 1.00 0.00 C ATOM 1375 CD LYS A 96 16.879 -7.186 5.726 1.00 0.00 C ATOM 1376 CE LYS A 96 15.967 -8.387 5.538 1.00 0.00 C ATOM 1377 NZ LYS A 96 16.738 -9.649 5.367 1.00 0.00 N ATOM 0 H LYS A 96 15.329 -4.446 8.007 1.00 0.00 H new ATOM 0 HA LYS A 96 16.986 -2.594 6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 96 17.596 -4.560 5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.699 -4.936 6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.412 -5.999 6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 96 15.462 -5.737 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 96 17.541 -7.093 4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 96 17.512 -7.342 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.306 -8.479 6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.333 -8.228 4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.170 -10.451 5.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.962 -9.785 4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 17.621 -9.593 5.914 1.00 0.00 H new ATOM 1391 N VAL A 97 14.099 -2.558 5.730 1.00 0.00 N ATOM 1392 CA VAL A 97 13.058 -2.201 4.774 1.00 0.00 C ATOM 1393 C VAL A 97 12.350 -0.911 5.187 1.00 0.00 C ATOM 1394 O VAL A 97 11.965 -0.108 4.337 1.00 0.00 O ATOM 1395 CB VAL A 97 12.016 -3.328 4.626 1.00 0.00 C ATOM 1396 CG1 VAL A 97 10.940 -2.941 3.622 1.00 0.00 C ATOM 1397 CG2 VAL A 97 12.694 -4.626 4.213 1.00 0.00 C ATOM 0 H VAL A 97 13.862 -2.367 6.703 1.00 0.00 H new ATOM 0 HA VAL A 97 13.550 -2.049 3.813 1.00 0.00 H new ATOM 0 HB VAL A 97 11.536 -3.481 5.593 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.216 -3.751 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.434 -2.037 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.398 -2.757 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.945 -5.412 4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.201 -4.484 3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.422 -4.913 4.971 1.00 0.00 H new ATOM 1407 N ALA A 98 12.183 -0.717 6.492 1.00 0.00 N ATOM 1408 CA ALA A 98 11.522 0.478 7.005 1.00 0.00 C ATOM 1409 C ALA A 98 12.515 1.620 7.189 1.00 0.00 C ATOM 1410 O ALA A 98 12.148 2.793 7.115 1.00 0.00 O ATOM 1411 CB ALA A 98 10.818 0.171 8.318 1.00 0.00 C ATOM 0 H ALA A 98 12.495 -1.370 7.211 1.00 0.00 H new ATOM 0 HA ALA A 98 10.779 0.793 6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.330 1.072 8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.071 -0.607 8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.548 -0.173 9.051 1.00 0.00 H new ATOM 1417 N ALA A 99 13.775 1.270 7.430 1.00 0.00 N ATOM 1418 CA ALA A 99 14.821 2.264 7.626 1.00 0.00 C ATOM 1419 C ALA A 99 15.278 2.853 6.295 1.00 0.00 C ATOM 1420 O ALA A 99 16.447 2.745 5.924 1.00 0.00 O ATOM 1421 CB ALA A 99 15.998 1.649 8.368 1.00 0.00 C ATOM 0 H ALA A 99 14.095 0.304 7.494 1.00 0.00 H new ATOM 0 HA ALA A 99 14.410 3.075 8.227 1.00 0.00 H new ATOM 0 HB1 ALA A 99 16.773 2.402 8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 99 15.665 1.285 9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 99 16.400 0.818 7.788 1.00 0.00 H new ATOM 1427 N GLY A 100 14.348 3.477 5.579 1.00 0.00 N ATOM 1428 CA GLY A 100 14.674 4.075 4.298 1.00 0.00 C ATOM 1429 C GLY A 100 13.468 4.203 3.390 1.00 0.00 C ATOM 1430 O GLY A 100 13.453 5.036 2.484 1.00 0.00 O ATOM 0 H GLY A 100 13.374 3.579 5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 100 15.107 5.062 4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.435 3.471 3.803 1.00 0.00 H new ATOM 1434 N HIS A 101 12.451 3.381 3.633 1.00 0.00 N ATOM 1435 CA HIS A 101 11.236 3.415 2.828 1.00 0.00 C ATOM 1436 C HIS A 101 10.473 4.721 3.036 1.00 0.00 C ATOM 1437 O HIS A 101 9.524 5.019 2.311 1.00 0.00 O ATOM 1438 CB HIS A 101 10.339 2.223 3.165 1.00 0.00 C ATOM 1439 CG HIS A 101 9.075 2.176 2.363 1.00 0.00 C ATOM 1440 ND1 HIS A 101 9.060 2.091 0.986 1.00 0.00 N ATOM 1441 CD2 HIS A 101 7.778 2.203 2.750 1.00 0.00 C ATOM 1442 CE1 HIS A 101 7.809 2.068 0.562 1.00 0.00 C ATOM 1443 NE2 HIS A 101 7.012 2.134 1.612 1.00 0.00 N ATOM 0 H HIS A 101 12.445 2.685 4.379 1.00 0.00 H new ATOM 0 HA HIS A 101 11.528 3.354 1.780 1.00 0.00 H new ATOM 0 HB2 HIS A 101 10.897 1.301 3.001 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.086 2.258 4.225 1.00 0.00 H new ATOM 0 HD2 HIS A 101 7.413 2.267 3.765 1.00 0.00 H new ATOM 0 HE1 HIS A 101 7.492 2.006 -0.469 1.00 0.00 H new ATOM 0 HE2 HIS A 101 5.992 2.134 1.583 1.00 0.00 H new ATOM 1452 N GLU A 102 10.894 5.496 4.028 1.00 0.00 N ATOM 1453 CA GLU A 102 10.255 6.770 4.331 1.00 0.00 C ATOM 1454 C GLU A 102 10.292 7.699 3.123 1.00 0.00 C ATOM 1455 O GLU A 102 9.330 8.418 2.853 1.00 0.00 O ATOM 1456 CB GLU A 102 10.943 7.438 5.524 1.00 0.00 C ATOM 1457 CG GLU A 102 10.906 6.603 6.794 1.00 0.00 C ATOM 1458 CD GLU A 102 11.590 7.288 7.961 1.00 0.00 C ATOM 1459 OE1 GLU A 102 12.800 7.578 7.852 1.00 0.00 O ATOM 1460 OE2 GLU A 102 10.916 7.534 8.983 1.00 0.00 O ATOM 0 H GLU A 102 11.678 5.263 4.638 1.00 0.00 H new ATOM 0 HA GLU A 102 9.213 6.574 4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.981 7.644 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.466 8.399 5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.869 6.394 7.057 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.388 5.643 6.608 1.00 0.00 H new ATOM 1467 N LEU A 103 11.407 7.680 2.396 1.00 0.00 N ATOM 1468 CA LEU A 103 11.557 8.526 1.216 1.00 0.00 C ATOM 1469 C LEU A 103 12.887 8.269 0.512 1.00 0.00 C ATOM 1470 O LEU A 103 12.931 8.105 -0.707 1.00 0.00 O ATOM 1471 CB LEU A 103 11.442 10.007 1.595 1.00 0.00 C ATOM 1472 CG LEU A 103 12.497 10.521 2.580 1.00 0.00 C ATOM 1473 CD1 LEU A 103 12.357 12.023 2.770 1.00 0.00 C ATOM 1474 CD2 LEU A 103 12.377 9.807 3.919 1.00 0.00 C ATOM 0 H LEU A 103 12.215 7.092 2.602 1.00 0.00 H new ATOM 0 HA LEU A 103 10.752 8.273 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 103 11.500 10.603 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 103 10.455 10.178 2.025 1.00 0.00 H new ATOM 0 HG LEU A 103 13.483 10.311 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 103 13.113 12.373 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 103 12.492 12.525 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 103 11.365 12.249 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 103 13.135 10.187 4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.387 9.985 4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 103 12.522 8.736 3.775 1.00 0.00 H new ATOM 1486 N GLN A 104 13.970 8.241 1.283 1.00 0.00 N ATOM 1487 CA GLN A 104 15.297 8.009 0.723 1.00 0.00 C ATOM 1488 C GLN A 104 16.118 7.089 1.627 1.00 0.00 C ATOM 1489 O GLN A 104 16.639 7.523 2.655 1.00 0.00 O ATOM 1490 CB GLN A 104 16.027 9.339 0.529 1.00 0.00 C ATOM 1491 CG GLN A 104 17.413 9.191 -0.078 1.00 0.00 C ATOM 1492 CD GLN A 104 18.090 10.527 -0.315 1.00 0.00 C ATOM 1493 OE1 GLN A 104 17.586 11.368 -1.060 1.00 0.00 O ATOM 1494 NE2 GLN A 104 19.240 10.729 0.317 1.00 0.00 N ATOM 0 H GLN A 104 13.955 8.376 2.294 1.00 0.00 H new ATOM 0 HA GLN A 104 15.178 7.522 -0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.426 9.983 -0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.114 9.840 1.493 1.00 0.00 H new ATOM 0 HG2 GLN A 104 18.033 8.586 0.583 1.00 0.00 H new ATOM 0 HG3 GLN A 104 17.336 8.654 -1.023 1.00 0.00 H new ATOM 0 HE21 GLN A 104 19.622 10.005 0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 104 19.742 11.609 0.194 1.00 0.00 H new ATOM 1503 N PRO A 105 16.244 5.802 1.257 1.00 0.00 N ATOM 1504 CA PRO A 105 17.005 4.825 2.044 1.00 0.00 C ATOM 1505 C PRO A 105 18.513 5.056 1.975 1.00 0.00 C ATOM 1506 O PRO A 105 19.274 4.448 2.728 1.00 0.00 O ATOM 1507 CB PRO A 105 16.642 3.488 1.395 1.00 0.00 C ATOM 1508 CG PRO A 105 16.292 3.835 -0.010 1.00 0.00 C ATOM 1509 CD PRO A 105 15.655 5.196 0.047 1.00 0.00 C ATOM 0 HA PRO A 105 16.761 4.885 3.105 1.00 0.00 H new ATOM 0 HB2 PRO A 105 17.477 2.789 1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 105 15.805 3.014 1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 105 17.180 3.846 -0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.607 3.101 -0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.879 5.782 -0.845 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.570 5.128 0.120 1.00 0.00 H new ATOM 1517 N LEU A 106 18.943 5.932 1.070 1.00 0.00 N ATOM 1518 CA LEU A 106 20.363 6.229 0.913 1.00 0.00 C ATOM 1519 C LEU A 106 20.966 6.683 2.242 1.00 0.00 C ATOM 1520 O LEU A 106 21.605 5.896 2.942 1.00 0.00 O ATOM 1521 CB LEU A 106 20.564 7.296 -0.173 1.00 0.00 C ATOM 1522 CG LEU A 106 22.011 7.512 -0.630 1.00 0.00 C ATOM 1523 CD1 LEU A 106 22.867 8.054 0.504 1.00 0.00 C ATOM 1524 CD2 LEU A 106 22.596 6.215 -1.166 1.00 0.00 C ATOM 0 H LEU A 106 18.331 6.446 0.437 1.00 0.00 H new ATOM 0 HA LEU A 106 20.879 5.321 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 106 19.965 7.022 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 106 20.174 8.244 0.198 1.00 0.00 H new ATOM 0 HG LEU A 106 22.007 8.251 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 106 23.889 8.198 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 106 22.462 9.008 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 106 22.865 7.345 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 106 23.624 6.385 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 106 22.581 5.458 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 106 22.003 5.872 -2.014 1.00 0.00 H new ATOM 1536 N ALA A 107 20.764 7.953 2.583 1.00 0.00 N ATOM 1537 CA ALA A 107 21.282 8.520 3.819 1.00 0.00 C ATOM 1538 C ALA A 107 22.760 8.829 3.684 1.00 0.00 C ATOM 1539 O ALA A 107 23.190 9.968 3.870 1.00 0.00 O ATOM 1540 CB ALA A 107 21.037 7.582 4.994 1.00 0.00 C ATOM 0 H ALA A 107 20.238 8.614 2.011 1.00 0.00 H new ATOM 0 HA ALA A 107 20.750 9.451 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 107 21.434 8.029 5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 107 19.966 7.414 5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.536 6.630 4.810 1.00 0.00 H new ATOM 1546 N ILE A 108 23.533 7.805 3.368 1.00 0.00 N ATOM 1547 CA ILE A 108 24.966 7.951 3.216 1.00 0.00 C ATOM 1548 C ILE A 108 25.520 6.897 2.264 1.00 0.00 C ATOM 1549 O ILE A 108 26.213 7.217 1.298 1.00 0.00 O ATOM 1550 CB ILE A 108 25.668 7.812 4.578 1.00 0.00 C ATOM 1551 CG1 ILE A 108 25.255 8.940 5.528 1.00 0.00 C ATOM 1552 CG2 ILE A 108 27.183 7.780 4.414 1.00 0.00 C ATOM 1553 CD1 ILE A 108 23.960 8.672 6.266 1.00 0.00 C ATOM 0 H ILE A 108 23.187 6.858 3.211 1.00 0.00 H new ATOM 0 HA ILE A 108 25.157 8.942 2.805 1.00 0.00 H new ATOM 0 HB ILE A 108 25.353 6.865 5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 108 26.051 9.100 6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 108 25.154 9.864 4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 108 27.653 7.681 5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 108 27.464 6.932 3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 108 27.518 8.704 3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 108 23.733 9.514 6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 108 23.151 8.542 5.547 1.00 0.00 H new ATOM 0 HD13 ILE A 108 24.063 7.766 6.864 1.00 0.00 H new ATOM 1565 N VAL A 109 25.214 5.636 2.555 1.00 0.00 N ATOM 1566 CA VAL A 109 25.687 4.522 1.739 1.00 0.00 C ATOM 1567 C VAL A 109 24.835 3.273 1.940 1.00 0.00 C ATOM 1568 O VAL A 109 24.948 2.587 2.955 1.00 0.00 O ATOM 1569 CB VAL A 109 27.152 4.177 2.064 1.00 0.00 C ATOM 1570 CG1 VAL A 109 28.078 5.306 1.641 1.00 0.00 C ATOM 1571 CG2 VAL A 109 27.315 3.878 3.547 1.00 0.00 C ATOM 0 H VAL A 109 24.640 5.360 3.351 1.00 0.00 H new ATOM 0 HA VAL A 109 25.608 4.844 0.701 1.00 0.00 H new ATOM 0 HB VAL A 109 27.425 3.284 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 109 29.108 5.041 1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 109 27.985 5.470 0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 109 27.806 6.218 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 109 28.357 3.636 3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 109 27.021 4.751 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 109 26.684 3.032 3.819 1.00 0.00 H new ATOM 1581 N ASP A 110 23.992 2.978 0.958 1.00 0.00 N ATOM 1582 CA ASP A 110 23.131 1.801 1.018 1.00 0.00 C ATOM 1583 C ASP A 110 23.962 0.528 0.923 1.00 0.00 C ATOM 1584 O ASP A 110 23.679 -0.465 1.593 1.00 0.00 O ATOM 1585 CB ASP A 110 22.110 1.825 -0.119 1.00 0.00 C ATOM 1586 CG ASP A 110 21.180 3.017 -0.043 1.00 0.00 C ATOM 1587 OD1 ASP A 110 20.470 3.152 0.975 1.00 0.00 O ATOM 1588 OD2 ASP A 110 21.159 3.816 -1.003 1.00 0.00 O ATOM 0 H ASP A 110 23.885 3.536 0.111 1.00 0.00 H new ATOM 0 HA ASP A 110 22.605 1.816 1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 110 22.636 1.840 -1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 110 21.522 0.908 -0.093 1.00 0.00 H new ATOM 1593 N GLN A 111 24.984 0.565 0.075 1.00 0.00 N ATOM 1594 CA GLN A 111 25.858 -0.583 -0.124 1.00 0.00 C ATOM 1595 C GLN A 111 27.275 -0.294 0.353 1.00 0.00 C ATOM 1596 O GLN A 111 27.953 -1.191 0.844 1.00 0.00 O ATOM 1597 CB GLN A 111 25.889 -0.973 -1.605 1.00 0.00 C ATOM 1598 CG GLN A 111 24.556 -1.487 -2.131 1.00 0.00 C ATOM 1599 CD GLN A 111 24.097 -2.789 -1.483 1.00 0.00 C ATOM 1600 OE1 GLN A 111 24.959 -3.417 -0.684 1.00 0.00 O flip ATOM 1601 NE2 GLN A 111 22.975 -3.237 -1.715 1.00 0.00 N flip ATOM 0 H GLN A 111 25.227 1.381 -0.487 1.00 0.00 H new ATOM 0 HA GLN A 111 25.458 -1.408 0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 111 26.192 -0.107 -2.193 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.648 -1.741 -1.754 1.00 0.00 H new ATOM 0 HG2 GLN A 111 23.794 -0.724 -1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 111 24.635 -1.636 -3.208 1.00 0.00 H new ATOM 0 HE21 GLN A 111 22.341 -2.729 -2.332 1.00 0.00 H new ATOM 0 HE22 GLN A 111 22.679 -4.116 -1.290 1.00 0.00 H new ATOM 1610 N ARG A 112 27.710 0.961 0.175 1.00 0.00 N ATOM 1611 CA ARG A 112 29.058 1.420 0.551 1.00 0.00 C ATOM 1612 C ARG A 112 29.984 1.504 -0.670 1.00 0.00 C ATOM 1613 O ARG A 112 30.479 2.584 -0.991 1.00 0.00 O ATOM 1614 CB ARG A 112 29.699 0.568 1.661 1.00 0.00 C ATOM 1615 CG ARG A 112 29.192 0.902 3.059 1.00 0.00 C ATOM 1616 CD ARG A 112 27.719 0.565 3.238 1.00 0.00 C ATOM 1617 NE ARG A 112 27.478 -0.876 3.233 1.00 0.00 N ATOM 1618 CZ ARG A 112 26.282 -1.428 3.424 1.00 0.00 C ATOM 1619 NH1 ARG A 112 25.219 -0.666 3.652 1.00 0.00 N ATOM 1620 NH2 ARG A 112 26.148 -2.747 3.391 1.00 0.00 N ATOM 0 H ARG A 112 27.133 1.694 -0.237 1.00 0.00 H new ATOM 0 HA ARG A 112 28.929 2.423 0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 112 29.506 -0.485 1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 112 30.780 0.705 1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 112 29.779 0.354 3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 112 29.345 1.963 3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 112 27.363 0.988 4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 112 27.142 1.031 2.439 1.00 0.00 H new ATOM 0 HE ARG A 112 28.273 -1.495 3.074 1.00 0.00 H new ATOM 0 HH11 ARG A 112 25.316 0.349 3.682 1.00 0.00 H new ATOM 0 HH12 ARG A 112 24.305 -1.096 3.798 1.00 0.00 H new ATOM 0 HH21 ARG A 112 26.961 -3.338 3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 112 25.232 -3.170 3.537 1.00 0.00 H new ATOM 1634 N PRO A 113 30.235 0.383 -1.382 1.00 0.00 N ATOM 1635 CA PRO A 113 31.100 0.387 -2.568 1.00 0.00 C ATOM 1636 C PRO A 113 30.800 1.544 -3.509 1.00 0.00 C ATOM 1637 O PRO A 113 31.666 2.376 -3.778 1.00 0.00 O ATOM 1638 CB PRO A 113 30.768 -0.945 -3.236 1.00 0.00 C ATOM 1639 CG PRO A 113 30.412 -1.838 -2.105 1.00 0.00 C ATOM 1640 CD PRO A 113 29.699 -0.966 -1.110 1.00 0.00 C ATOM 0 HA PRO A 113 32.152 0.507 -2.308 1.00 0.00 H new ATOM 0 HB2 PRO A 113 29.941 -0.843 -3.939 1.00 0.00 H new ATOM 0 HB3 PRO A 113 31.618 -1.332 -3.797 1.00 0.00 H new ATOM 0 HG2 PRO A 113 29.773 -2.656 -2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 113 31.302 -2.287 -1.665 1.00 0.00 H new ATOM 0 HD2 PRO A 113 28.618 -1.003 -1.247 1.00 0.00 H new ATOM 0 HD3 PRO A 113 29.901 -1.279 -0.086 1.00 0.00 H new ATOM 1648 N SER A 114 29.573 1.581 -4.018 1.00 0.00 N ATOM 1649 CA SER A 114 29.157 2.629 -4.945 1.00 0.00 C ATOM 1650 C SER A 114 30.123 2.737 -6.126 1.00 0.00 C ATOM 1651 O SER A 114 30.108 3.726 -6.859 1.00 0.00 O ATOM 1652 CB SER A 114 29.057 3.975 -4.223 1.00 0.00 C ATOM 1653 OG SER A 114 30.310 4.370 -3.693 1.00 0.00 O ATOM 0 H SER A 114 28.848 0.896 -3.804 1.00 0.00 H new ATOM 0 HA SER A 114 28.174 2.361 -5.332 1.00 0.00 H new ATOM 0 HB2 SER A 114 28.697 4.736 -4.916 1.00 0.00 H new ATOM 0 HB3 SER A 114 28.325 3.905 -3.418 1.00 0.00 H new ATOM 0 HG SER A 114 31.026 3.868 -4.136 1.00 0.00 H new ATOM 1659 N SER A 115 30.960 1.716 -6.309 1.00 0.00 N ATOM 1660 CA SER A 115 31.923 1.706 -7.404 1.00 0.00 C ATOM 1661 C SER A 115 31.394 0.895 -8.583 1.00 0.00 C ATOM 1662 O SER A 115 31.743 1.153 -9.735 1.00 0.00 O ATOM 1663 CB SER A 115 33.258 1.130 -6.931 1.00 0.00 C ATOM 1664 OG SER A 115 33.104 -0.199 -6.465 1.00 0.00 O ATOM 0 H SER A 115 30.989 0.888 -5.714 1.00 0.00 H new ATOM 0 HA SER A 115 32.076 2.734 -7.732 1.00 0.00 H new ATOM 0 HB2 SER A 115 33.977 1.150 -7.750 1.00 0.00 H new ATOM 0 HB3 SER A 115 33.665 1.753 -6.134 1.00 0.00 H new ATOM 0 HG SER A 115 33.972 -0.545 -6.170 1.00 0.00 H new ATOM 1670 N ARG A 116 30.551 -0.089 -8.285 1.00 0.00 N ATOM 1671 CA ARG A 116 29.971 -0.944 -9.315 1.00 0.00 C ATOM 1672 C ARG A 116 29.081 -0.149 -10.251 1.00 0.00 C ATOM 1673 O ARG A 116 28.827 -0.566 -11.381 1.00 0.00 O ATOM 1674 CB ARG A 116 29.164 -2.064 -8.671 1.00 0.00 C ATOM 1675 CG ARG A 116 29.951 -2.868 -7.651 1.00 0.00 C ATOM 1676 CD ARG A 116 29.097 -3.957 -7.019 1.00 0.00 C ATOM 1677 NE ARG A 116 28.604 -4.913 -8.009 1.00 0.00 N ATOM 1678 CZ ARG A 116 29.387 -5.744 -8.694 1.00 0.00 C ATOM 1679 NH1 ARG A 116 30.695 -5.775 -8.468 1.00 0.00 N ATOM 1680 NH2 ARG A 116 28.858 -6.558 -9.597 1.00 0.00 N ATOM 0 H ARG A 116 30.254 -0.314 -7.336 1.00 0.00 H new ATOM 0 HA ARG A 116 30.788 -1.370 -9.897 1.00 0.00 H new ATOM 0 HB2 ARG A 116 28.286 -1.636 -8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 116 28.802 -2.735 -9.450 1.00 0.00 H new ATOM 0 HG2 ARG A 116 30.819 -3.319 -8.133 1.00 0.00 H new ATOM 0 HG3 ARG A 116 30.327 -2.203 -6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 116 29.682 -4.485 -6.266 1.00 0.00 H new ATOM 0 HD3 ARG A 116 28.252 -3.501 -6.504 1.00 0.00 H new ATOM 0 HE ARG A 116 27.600 -4.945 -8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 116 31.106 -5.160 -7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 116 31.289 -6.414 -8.996 1.00 0.00 H new ATOM 0 HH21 ARG A 116 27.852 -6.547 -9.766 1.00 0.00 H new ATOM 0 HH22 ARG A 116 29.457 -7.195 -10.122 1.00 0.00 H new ATOM 1694 N ALA A 117 28.621 1.005 -9.793 1.00 0.00 N ATOM 1695 CA ALA A 117 27.778 1.855 -10.616 1.00 0.00 C ATOM 1696 C ALA A 117 28.608 2.528 -11.704 1.00 0.00 C ATOM 1697 O ALA A 117 28.356 3.677 -12.066 1.00 0.00 O ATOM 1698 CB ALA A 117 27.077 2.898 -9.759 1.00 0.00 C ATOM 0 H ALA A 117 28.816 1.372 -8.862 1.00 0.00 H new ATOM 0 HA ALA A 117 27.019 1.235 -11.093 1.00 0.00 H new ATOM 0 HB1 ALA A 117 26.450 3.526 -10.391 1.00 0.00 H new ATOM 0 HB2 ALA A 117 26.457 2.400 -9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 117 27.821 3.516 -9.257 1.00 0.00 H new ATOM 1704 N SER A 118 29.612 1.806 -12.212 1.00 0.00 N ATOM 1705 CA SER A 118 30.492 2.334 -13.247 1.00 0.00 C ATOM 1706 C SER A 118 31.113 3.646 -12.803 1.00 0.00 C ATOM 1707 O SER A 118 31.398 4.522 -13.619 1.00 0.00 O ATOM 1708 CB SER A 118 29.734 2.522 -14.565 1.00 0.00 C ATOM 1709 OG SER A 118 28.684 3.462 -14.428 1.00 0.00 O ATOM 0 H SER A 118 29.832 0.854 -11.920 1.00 0.00 H new ATOM 0 HA SER A 118 31.290 1.610 -13.412 1.00 0.00 H new ATOM 0 HB2 SER A 118 30.425 2.856 -15.339 1.00 0.00 H new ATOM 0 HB3 SER A 118 29.327 1.565 -14.892 1.00 0.00 H new ATOM 0 HG SER A 118 28.794 3.955 -13.588 1.00 0.00 H new ATOM 1715 N SER A 119 31.338 3.767 -11.499 1.00 0.00 N ATOM 1716 CA SER A 119 31.947 4.967 -10.945 1.00 0.00 C ATOM 1717 C SER A 119 33.401 5.093 -11.399 1.00 0.00 C ATOM 1718 O SER A 119 34.037 6.126 -11.189 1.00 0.00 O ATOM 1719 CB SER A 119 31.878 4.944 -9.417 1.00 0.00 C ATOM 1720 OG SER A 119 32.443 6.119 -8.863 1.00 0.00 O ATOM 0 H SER A 119 31.108 3.051 -10.810 1.00 0.00 H new ATOM 0 HA SER A 119 31.391 5.830 -11.311 1.00 0.00 H new ATOM 0 HB2 SER A 119 30.840 4.851 -9.098 1.00 0.00 H new ATOM 0 HB3 SER A 119 32.407 4.069 -9.039 1.00 0.00 H new ATOM 0 HG SER A 119 33.134 6.465 -9.465 1.00 0.00 H new ATOM 1726 N ARG A 120 33.923 4.036 -12.023 1.00 0.00 N ATOM 1727 CA ARG A 120 35.301 4.038 -12.503 1.00 0.00 C ATOM 1728 C ARG A 120 35.433 4.845 -13.792 1.00 0.00 C ATOM 1729 O ARG A 120 36.519 5.314 -14.132 1.00 0.00 O ATOM 1730 CB ARG A 120 35.783 2.605 -12.734 1.00 0.00 C ATOM 1731 CG ARG A 120 35.747 1.743 -11.483 1.00 0.00 C ATOM 1732 CD ARG A 120 36.233 0.330 -11.767 1.00 0.00 C ATOM 1733 NE ARG A 120 37.613 0.309 -12.247 1.00 0.00 N ATOM 1734 CZ ARG A 120 38.663 0.661 -11.508 1.00 0.00 C ATOM 1735 NH1 ARG A 120 38.503 1.016 -10.239 1.00 0.00 N ATOM 1736 NH2 ARG A 120 39.879 0.643 -12.035 1.00 0.00 N ATOM 0 H ARG A 120 33.413 3.172 -12.206 1.00 0.00 H new ATOM 0 HA ARG A 120 35.922 4.507 -11.740 1.00 0.00 H new ATOM 0 HB2 ARG A 120 35.164 2.142 -13.503 1.00 0.00 H new ATOM 0 HB3 ARG A 120 36.803 2.631 -13.118 1.00 0.00 H new ATOM 0 HG2 ARG A 120 36.369 2.195 -10.710 1.00 0.00 H new ATOM 0 HG3 ARG A 120 34.730 1.708 -11.093 1.00 0.00 H new ATOM 0 HD2 ARG A 120 36.156 -0.268 -10.859 1.00 0.00 H new ATOM 0 HD3 ARG A 120 35.584 -0.133 -12.510 1.00 0.00 H new ATOM 0 HE ARG A 120 37.782 0.006 -13.206 1.00 0.00 H new ATOM 0 HH11 ARG A 120 37.571 1.020 -9.824 1.00 0.00 H new ATOM 0 HH12 ARG A 120 39.312 1.284 -9.679 1.00 0.00 H new ATOM 0 HH21 ARG A 120 40.010 0.360 -13.006 1.00 0.00 H new ATOM 0 HH22 ARG A 120 40.684 0.913 -11.469 1.00 0.00 H new ATOM 1750 N ALA A 121 34.321 5.001 -14.509 1.00 0.00 N ATOM 1751 CA ALA A 121 34.312 5.750 -15.763 1.00 0.00 C ATOM 1752 C ALA A 121 35.055 7.078 -15.631 1.00 0.00 C ATOM 1753 O ALA A 121 36.029 7.327 -16.340 1.00 0.00 O ATOM 1754 CB ALA A 121 32.881 5.990 -16.221 1.00 0.00 C ATOM 0 H ALA A 121 33.414 4.618 -14.242 1.00 0.00 H new ATOM 0 HA ALA A 121 34.832 5.152 -16.511 1.00 0.00 H new ATOM 0 HB1 ALA A 121 32.887 6.549 -17.157 1.00 0.00 H new ATOM 0 HB2 ALA A 121 32.382 5.033 -16.374 1.00 0.00 H new ATOM 0 HB3 ALA A 121 32.347 6.560 -15.461 1.00 0.00 H new ATOM 1760 N SER A 122 34.588 7.927 -14.719 1.00 0.00 N ATOM 1761 CA SER A 122 35.210 9.228 -14.496 1.00 0.00 C ATOM 1762 C SER A 122 36.695 9.077 -14.177 1.00 0.00 C ATOM 1763 O SER A 122 37.538 9.757 -14.762 1.00 0.00 O ATOM 1764 CB SER A 122 34.504 9.965 -13.357 1.00 0.00 C ATOM 1765 OG SER A 122 35.092 11.234 -13.128 1.00 0.00 O ATOM 0 H SER A 122 33.782 7.737 -14.123 1.00 0.00 H new ATOM 0 HA SER A 122 35.113 9.810 -15.412 1.00 0.00 H new ATOM 0 HB2 SER A 122 33.448 10.088 -13.599 1.00 0.00 H new ATOM 0 HB3 SER A 122 34.555 9.368 -12.447 1.00 0.00 H new ATOM 0 HG SER A 122 34.622 11.685 -12.396 1.00 0.00 H new ATOM 1771 N SER A 123 37.007 8.182 -13.245 1.00 0.00 N ATOM 1772 CA SER A 123 38.390 7.942 -12.849 1.00 0.00 C ATOM 1773 C SER A 123 39.031 9.217 -12.310 1.00 0.00 C ATOM 1774 O SER A 123 39.708 9.939 -13.040 1.00 0.00 O ATOM 1775 CB SER A 123 39.198 7.413 -14.035 1.00 0.00 C ATOM 1776 OG SER A 123 40.546 7.174 -13.668 1.00 0.00 O ATOM 0 H SER A 123 36.321 7.611 -12.750 1.00 0.00 H new ATOM 0 HA SER A 123 38.390 7.194 -12.056 1.00 0.00 H new ATOM 0 HB2 SER A 123 38.749 6.490 -14.402 1.00 0.00 H new ATOM 0 HB3 SER A 123 39.163 8.133 -14.853 1.00 0.00 H new ATOM 0 HG SER A 123 41.041 6.835 -14.443 1.00 0.00 H new ATOM 1782 N ARG A 124 38.813 9.486 -11.027 1.00 0.00 N ATOM 1783 CA ARG A 124 39.370 10.673 -10.389 1.00 0.00 C ATOM 1784 C ARG A 124 40.871 10.512 -10.152 1.00 0.00 C ATOM 1785 O ARG A 124 41.289 9.706 -9.320 1.00 0.00 O ATOM 1786 CB ARG A 124 38.659 10.943 -9.062 1.00 0.00 C ATOM 1787 CG ARG A 124 37.166 11.186 -9.210 1.00 0.00 C ATOM 1788 CD ARG A 124 36.509 11.450 -7.864 1.00 0.00 C ATOM 1789 NE ARG A 124 36.657 10.321 -6.948 1.00 0.00 N ATOM 1790 CZ ARG A 124 36.092 9.130 -7.138 1.00 0.00 C ATOM 1791 NH1 ARG A 124 35.301 8.921 -8.183 1.00 0.00 N ATOM 1792 NH2 ARG A 124 36.308 8.150 -6.272 1.00 0.00 N ATOM 0 H ARG A 124 38.254 8.898 -10.409 1.00 0.00 H new ATOM 0 HA ARG A 124 39.215 11.521 -11.057 1.00 0.00 H new ATOM 0 HB2 ARG A 124 38.816 10.095 -8.396 1.00 0.00 H new ATOM 0 HB3 ARG A 124 39.114 11.811 -8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 124 36.998 12.036 -9.871 1.00 0.00 H new ATOM 0 HG3 ARG A 124 36.700 10.320 -9.680 1.00 0.00 H new ATOM 0 HD2 ARG A 124 36.949 12.340 -7.415 1.00 0.00 H new ATOM 0 HD3 ARG A 124 35.450 11.659 -8.013 1.00 0.00 H new ATOM 0 HE ARG A 124 37.227 10.453 -6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 124 35.123 9.675 -8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 124 34.871 8.006 -8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 124 36.906 8.309 -5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 124 35.876 7.237 -6.416 1.00 0.00 H new ATOM 1806 N PRO A 125 41.707 11.278 -10.878 1.00 0.00 N ATOM 1807 CA PRO A 125 43.165 11.207 -10.732 1.00 0.00 C ATOM 1808 C PRO A 125 43.637 11.739 -9.383 1.00 0.00 C ATOM 1809 O PRO A 125 43.792 12.947 -9.200 1.00 0.00 O ATOM 1810 CB PRO A 125 43.683 12.094 -11.867 1.00 0.00 C ATOM 1811 CG PRO A 125 42.567 13.038 -12.150 1.00 0.00 C ATOM 1812 CD PRO A 125 41.301 12.269 -11.892 1.00 0.00 C ATOM 0 HA PRO A 125 43.529 10.180 -10.778 1.00 0.00 H new ATOM 0 HB2 PRO A 125 44.587 12.627 -11.572 1.00 0.00 H new ATOM 0 HB3 PRO A 125 43.935 11.503 -12.748 1.00 0.00 H new ATOM 0 HG2 PRO A 125 42.627 13.917 -11.509 1.00 0.00 H new ATOM 0 HG3 PRO A 125 42.606 13.391 -13.180 1.00 0.00 H new ATOM 0 HD2 PRO A 125 40.505 12.917 -11.525 1.00 0.00 H new ATOM 0 HD3 PRO A 125 40.930 11.789 -12.798 1.00 0.00 H new ATOM 1820 N ARG A 126 43.860 10.830 -8.439 1.00 0.00 N ATOM 1821 CA ARG A 126 44.311 11.212 -7.103 1.00 0.00 C ATOM 1822 C ARG A 126 45.835 11.163 -7.002 1.00 0.00 C ATOM 1823 O ARG A 126 46.464 12.123 -6.558 1.00 0.00 O ATOM 1824 CB ARG A 126 43.689 10.299 -6.040 1.00 0.00 C ATOM 1825 CG ARG A 126 43.990 10.718 -4.607 1.00 0.00 C ATOM 1826 CD ARG A 126 43.309 12.031 -4.241 1.00 0.00 C ATOM 1827 NE ARG A 126 43.898 13.177 -4.931 1.00 0.00 N ATOM 1828 CZ ARG A 126 45.136 13.618 -4.715 1.00 0.00 C ATOM 1829 NH1 ARG A 126 45.908 13.034 -3.807 1.00 0.00 N ATOM 1830 NH2 ARG A 126 45.599 14.652 -5.402 1.00 0.00 N ATOM 0 H ARG A 126 43.737 9.826 -8.573 1.00 0.00 H new ATOM 0 HA ARG A 126 43.985 12.237 -6.924 1.00 0.00 H new ATOM 0 HB2 ARG A 126 42.608 10.278 -6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 126 44.050 9.282 -6.193 1.00 0.00 H new ATOM 0 HG2 ARG A 126 43.660 9.936 -3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 126 45.067 10.820 -4.478 1.00 0.00 H new ATOM 0 HD2 ARG A 126 42.249 11.968 -4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 126 43.378 12.185 -3.164 1.00 0.00 H new ATOM 0 HE ARG A 126 43.327 13.668 -5.619 1.00 0.00 H new ATOM 0 HH11 ARG A 126 45.554 12.242 -3.270 1.00 0.00 H new ATOM 0 HH12 ARG A 126 46.855 13.377 -3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 126 45.007 15.110 -6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 126 46.547 14.990 -5.237 1.00 0.00 H new ATOM 1844 N PRO A 127 46.455 10.040 -7.409 1.00 0.00 N ATOM 1845 CA PRO A 127 47.902 9.867 -7.358 1.00 0.00 C ATOM 1846 C PRO A 127 48.588 10.451 -8.588 1.00 0.00 C ATOM 1847 O PRO A 127 49.355 9.770 -9.269 1.00 0.00 O ATOM 1848 CB PRO A 127 48.077 8.336 -7.310 1.00 0.00 C ATOM 1849 CG PRO A 127 46.696 7.755 -7.403 1.00 0.00 C ATOM 1850 CD PRO A 127 45.816 8.840 -7.948 1.00 0.00 C ATOM 0 HA PRO A 127 48.351 10.382 -6.509 1.00 0.00 H new ATOM 0 HB2 PRO A 127 48.702 7.989 -8.133 1.00 0.00 H new ATOM 0 HB3 PRO A 127 48.567 8.029 -6.386 1.00 0.00 H new ATOM 0 HG2 PRO A 127 46.685 6.882 -8.055 1.00 0.00 H new ATOM 0 HG3 PRO A 127 46.346 7.426 -6.424 1.00 0.00 H new ATOM 0 HD2 PRO A 127 45.796 8.842 -9.038 1.00 0.00 H new ATOM 0 HD3 PRO A 127 44.785 8.739 -7.610 1.00 0.00 H new ATOM 1858 N ASP A 128 48.300 11.718 -8.871 1.00 0.00 N ATOM 1859 CA ASP A 128 48.881 12.397 -10.023 1.00 0.00 C ATOM 1860 C ASP A 128 48.402 11.750 -11.320 1.00 0.00 C ATOM 1861 O ASP A 128 49.127 11.709 -12.313 1.00 0.00 O ATOM 1862 CB ASP A 128 50.409 12.363 -9.947 1.00 0.00 C ATOM 1863 CG ASP A 128 51.063 13.202 -11.028 1.00 0.00 C ATOM 1864 OD1 ASP A 128 50.329 13.820 -11.829 1.00 0.00 O ATOM 1865 OD2 ASP A 128 52.311 13.242 -11.074 1.00 0.00 O ATOM 0 H ASP A 128 47.667 12.295 -8.317 1.00 0.00 H new ATOM 0 HA ASP A 128 48.555 13.437 -10.012 1.00 0.00 H new ATOM 0 HB2 ASP A 128 50.729 12.723 -8.969 1.00 0.00 H new ATOM 0 HB3 ASP A 128 50.751 11.332 -10.035 1.00 0.00 H new ATOM 1870 N ASP A 129 47.170 11.247 -11.295 1.00 0.00 N ATOM 1871 CA ASP A 129 46.564 10.596 -12.455 1.00 0.00 C ATOM 1872 C ASP A 129 47.185 9.232 -12.710 1.00 0.00 C ATOM 1873 O ASP A 129 47.494 8.873 -13.846 1.00 0.00 O ATOM 1874 CB ASP A 129 46.673 11.481 -13.699 1.00 0.00 C ATOM 1875 CG ASP A 129 45.985 10.872 -14.906 1.00 0.00 C ATOM 1876 OD1 ASP A 129 44.760 10.639 -14.836 1.00 0.00 O ATOM 1877 OD2 ASP A 129 46.672 10.629 -15.921 1.00 0.00 O ATOM 0 H ASP A 129 46.565 11.279 -10.474 1.00 0.00 H new ATOM 0 HA ASP A 129 45.507 10.447 -12.234 1.00 0.00 H new ATOM 0 HB2 ASP A 129 46.233 12.456 -13.487 1.00 0.00 H new ATOM 0 HB3 ASP A 129 47.725 11.649 -13.931 1.00 0.00 H new ATOM 1882 N LEU A 130 47.345 8.473 -11.635 1.00 0.00 N ATOM 1883 CA LEU A 130 47.908 7.130 -11.700 1.00 0.00 C ATOM 1884 C LEU A 130 49.112 7.052 -12.638 1.00 0.00 C ATOM 1885 O LEU A 130 49.404 5.991 -13.190 1.00 0.00 O ATOM 1886 CB LEU A 130 46.842 6.127 -12.148 1.00 0.00 C ATOM 1887 CG LEU A 130 45.587 6.066 -11.273 1.00 0.00 C ATOM 1888 CD1 LEU A 130 44.789 7.356 -11.387 1.00 0.00 C ATOM 1889 CD2 LEU A 130 44.729 4.871 -11.659 1.00 0.00 C ATOM 0 H LEU A 130 47.089 8.770 -10.693 1.00 0.00 H new ATOM 0 HA LEU A 130 48.251 6.880 -10.696 1.00 0.00 H new ATOM 0 HB2 LEU A 130 46.542 6.372 -13.167 1.00 0.00 H new ATOM 0 HB3 LEU A 130 47.291 5.134 -12.178 1.00 0.00 H new ATOM 0 HG LEU A 130 45.897 5.948 -10.235 1.00 0.00 H new ATOM 0 HD11 LEU A 130 43.901 7.292 -10.758 1.00 0.00 H new ATOM 0 HD12 LEU A 130 45.405 8.195 -11.062 1.00 0.00 H new ATOM 0 HD13 LEU A 130 44.488 7.507 -12.424 1.00 0.00 H new ATOM 0 HD21 LEU A 130 43.841 4.842 -11.028 1.00 0.00 H new ATOM 0 HD22 LEU A 130 44.429 4.960 -12.703 1.00 0.00 H new ATOM 0 HD23 LEU A 130 45.301 3.953 -11.523 1.00 0.00 H new ATOM 1901 N GLU A 131 49.808 8.169 -12.818 1.00 0.00 N ATOM 1902 CA GLU A 131 50.975 8.193 -13.695 1.00 0.00 C ATOM 1903 C GLU A 131 52.189 7.570 -13.007 1.00 0.00 C ATOM 1904 O GLU A 131 53.154 7.182 -13.666 1.00 0.00 O ATOM 1905 CB GLU A 131 51.300 9.624 -14.128 1.00 0.00 C ATOM 1906 CG GLU A 131 51.784 10.514 -12.995 1.00 0.00 C ATOM 1907 CD GLU A 131 52.130 11.913 -13.466 1.00 0.00 C ATOM 1908 OE1 GLU A 131 51.232 12.599 -13.999 1.00 0.00 O ATOM 1909 OE2 GLU A 131 53.298 12.323 -13.303 1.00 0.00 O ATOM 0 H GLU A 131 49.589 9.061 -12.374 1.00 0.00 H new ATOM 0 HA GLU A 131 50.736 7.604 -14.580 1.00 0.00 H new ATOM 0 HB2 GLU A 131 52.064 9.594 -14.905 1.00 0.00 H new ATOM 0 HB3 GLU A 131 50.410 10.070 -14.573 1.00 0.00 H new ATOM 0 HG2 GLU A 131 51.012 10.573 -12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 131 52.661 10.062 -12.531 1.00 0.00 H new ATOM 1916 N ILE A 132 52.136 7.478 -11.680 1.00 0.00 N ATOM 1917 CA ILE A 132 53.233 6.903 -10.911 1.00 0.00 C ATOM 1918 C ILE A 132 52.809 5.605 -10.233 1.00 0.00 C ATOM 1919 O ILE A 132 53.448 5.225 -9.230 1.00 0.00 O ATOM 1920 CB ILE A 132 53.743 7.886 -9.839 1.00 0.00 C ATOM 1921 CG1 ILE A 132 52.613 8.262 -8.879 1.00 0.00 C ATOM 1922 CG2 ILE A 132 54.325 9.130 -10.495 1.00 0.00 C ATOM 1923 CD1 ILE A 132 53.038 9.224 -7.792 1.00 0.00 C ATOM 1924 OXT ILE A 132 51.840 4.978 -10.711 1.00 0.00 O ATOM 0 H ILE A 132 51.346 7.794 -11.117 1.00 0.00 H new ATOM 0 HA ILE A 132 54.038 6.695 -11.616 1.00 0.00 H new ATOM 0 HB ILE A 132 54.532 7.398 -9.266 1.00 0.00 H new ATOM 0 HG12 ILE A 132 51.797 8.707 -9.448 1.00 0.00 H new ATOM 0 HG13 ILE A 132 52.222 7.355 -8.418 1.00 0.00 H new ATOM 0 HG21 ILE A 132 54.681 9.815 -9.725 1.00 0.00 H new ATOM 0 HG22 ILE A 132 55.156 8.846 -11.140 1.00 0.00 H new ATOM 0 HG23 ILE A 132 53.555 9.622 -11.090 1.00 0.00 H new ATOM 0 HD11 ILE A 132 52.186 9.446 -7.149 1.00 0.00 H new ATOM 0 HD12 ILE A 132 53.833 8.774 -7.198 1.00 0.00 H new ATOM 0 HD13 ILE A 132 53.401 10.147 -8.244 1.00 0.00 H new TER 1936 ILE A 132