USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 945 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 90 THR OG1 : rot 134:sc= 0.826! USER MOD Set 1.2: A 110 ASN : amide:sc= -0.0802 K(o=0.75,f=-3.7!) USER MOD Set 2.1: A 80 SER OG : rot 48:sc= 1.18 USER MOD Set 2.2: A 82 ASN : amide:sc= 0.111 X(o=1.3,f=0.95) USER MOD Set 3.1: A 14 SER OG : rot 54:sc= 1.32 USER MOD Set 3.2: A 16 HIS : no HD1:sc= -4.12! C(o=-1.3!,f=-5.7!) USER MOD Set 3.3: A 108 CYS SG : rot -101:sc= 1.5 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0359 (180deg=0) USER MOD Single : A 3 MET CE :methyl -133:sc= -0.149 (180deg=-2.07!) USER MOD Single : A 5 ASN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.138 USER MOD Single : A 8 GLN : amide:sc= -0.116 K(o=-0.12,f=-3.3!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.91 K(o=-1.9,f=-8.4!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.0438 X(o=-0.044,f=-0.044) USER MOD Single : A 29 CYS SG : rot 75:sc= -1.95 USER MOD Single : A 32 THR OG1 : rot 81:sc= 0.768 USER MOD Single : A 35 TYR OH : rot -104:sc= 1.55 USER MOD Single : A 36 GLN : amide:sc= -8.85! C(o=-8.8!,f=-6.3!) USER MOD Single : A 38 GLN : amide:sc= -0.911 X(o=-0.91,f=-1.3) USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 0.571 (180deg=0.474) USER MOD Single : A 44 ASN : amide:sc= 1.95 K(o=1.9,f=-7.8!) USER MOD Single : A 49 CYS SG : rot -81:sc= -4.07! USER MOD Single : A 50 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-9.2!) USER MOD Single : A 54 GLN : amide:sc= -1.2 X(o=-1.2,f=-1) USER MOD Single : A 55 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.088) USER MOD Single : A 60 SER OG : rot -78:sc= 0.748 USER MOD Single : A 62 GLN : amide:sc= -1.29 K(o=-1.3,f=-3.3!) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 66 LYS NZ :NH3+ 124:sc= 0.00578 (180deg=-0.0251) USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= 1.27 (180deg=1.24) USER MOD Single : A 70 GLN : amide:sc= -0.0979 K(o=-0.098,f=-1) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0875 USER MOD Single : A 75 MET CE :methyl 170:sc= 0 (180deg=-0.0246) USER MOD Single : A 81 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0179) USER MOD Single : A 83 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.5) USER MOD Single : A 88 MET CE :methyl 163:sc= -0.0756 (180deg=-0.509) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 77:sc= 0.383 USER MOD Single : A 94 THR OG1 : rot -133:sc= 0.193 USER MOD Single : A 96 GLN : amide:sc= -2.27! C(o=-2.3!,f=-1.8!) USER MOD Single : A 97 ASN : amide:sc= 0.65 K(o=0.65,f=-7.1!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -29:sc= 0.45 USER MOD Single : A 105 TYR OH : rot 180:sc= -0.0224 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -88:sc= 1.2 USER MOD Single : A 112 ASN : amide:sc= -0.946 K(o=-0.95,f=-0.4) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.431 K(o=-0.43,f=-5!) USER MOD Single : A 116 SER OG : rot -52:sc= 0.313 USER MOD Single : A 117 SER OG : rot -43:sc= 0.762 USER MOD Single : A 118 GLN : amide:sc= -5.82! K(o=-5.8!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.496 18.883 7.151 1.00 0.00 N ATOM 2 CA GLY A 1 -0.456 18.369 6.227 1.00 0.00 C ATOM 3 C GLY A 1 -1.010 18.092 4.847 1.00 0.00 C ATOM 4 O GLY A 1 -1.943 18.762 4.406 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.102 19.659 7.720 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.306 19.233 6.601 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.810 18.117 7.781 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.354 19.095 6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.028 17.454 6.636 1.00 0.00 H new ATOM 10 N ALA A 2 -0.440 17.103 4.166 1.00 0.00 N ATOM 11 CA ALA A 2 -0.894 16.727 2.835 1.00 0.00 C ATOM 12 C ALA A 2 -2.320 16.184 2.869 1.00 0.00 C ATOM 13 O ALA A 2 -2.561 15.035 3.255 1.00 0.00 O ATOM 14 CB ALA A 2 0.053 15.712 2.221 1.00 0.00 C ATOM 0 H ALA A 2 0.340 16.547 4.517 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.896 17.622 2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.300 15.441 1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.051 16.144 2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.089 14.822 2.849 1.00 0.00 H new ATOM 20 N MET A 3 -3.255 17.016 2.443 1.00 0.00 N ATOM 21 CA MET A 3 -4.671 16.700 2.500 1.00 0.00 C ATOM 22 C MET A 3 -5.428 17.545 1.487 1.00 0.00 C ATOM 23 O MET A 3 -5.150 18.734 1.335 1.00 0.00 O ATOM 24 CB MET A 3 -5.224 16.942 3.911 1.00 0.00 C ATOM 25 CG MET A 3 -6.703 16.641 4.048 1.00 0.00 C ATOM 26 SD MET A 3 -7.302 16.817 5.740 1.00 0.00 S ATOM 27 CE MET A 3 -6.397 15.505 6.559 1.00 0.00 C ATOM 0 H MET A 3 -3.052 17.933 2.046 1.00 0.00 H new ATOM 0 HA MET A 3 -4.804 15.646 2.258 1.00 0.00 H new ATOM 0 HB2 MET A 3 -4.670 16.325 4.619 1.00 0.00 H new ATOM 0 HB3 MET A 3 -5.047 17.981 4.187 1.00 0.00 H new ATOM 0 HG2 MET A 3 -7.266 17.310 3.397 1.00 0.00 H new ATOM 0 HG3 MET A 3 -6.895 15.625 3.704 1.00 0.00 H new ATOM 0 HE1 MET A 3 -7.078 14.928 7.185 1.00 0.00 H new ATOM 0 HE2 MET A 3 -5.949 14.850 5.811 1.00 0.00 H new ATOM 0 HE3 MET A 3 -5.612 15.937 7.180 1.00 0.00 H new ATOM 37 N ASP A 4 -6.365 16.904 0.794 1.00 0.00 N ATOM 38 CA ASP A 4 -7.181 17.547 -0.241 1.00 0.00 C ATOM 39 C ASP A 4 -6.322 17.927 -1.434 1.00 0.00 C ATOM 40 O ASP A 4 -5.919 19.078 -1.599 1.00 0.00 O ATOM 41 CB ASP A 4 -7.942 18.760 0.305 1.00 0.00 C ATOM 42 CG ASP A 4 -8.968 18.362 1.349 1.00 0.00 C ATOM 43 OD1 ASP A 4 -9.389 17.189 1.351 1.00 0.00 O ATOM 44 OD2 ASP A 4 -9.345 19.215 2.177 1.00 0.00 O ATOM 0 H ASP A 4 -6.584 15.917 0.933 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.929 16.826 -0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.235 19.466 0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.441 19.275 -0.516 1.00 0.00 H new ATOM 49 N ASN A 5 -6.057 16.934 -2.270 1.00 0.00 N ATOM 50 CA ASN A 5 -5.154 17.084 -3.401 1.00 0.00 C ATOM 51 C ASN A 5 -5.843 16.570 -4.657 1.00 0.00 C ATOM 52 O ASN A 5 -6.401 15.477 -4.646 1.00 0.00 O ATOM 53 CB ASN A 5 -3.861 16.288 -3.158 1.00 0.00 C ATOM 54 CG ASN A 5 -3.186 16.627 -1.838 1.00 0.00 C ATOM 55 OD1 ASN A 5 -2.322 17.497 -1.774 1.00 0.00 O ATOM 56 ND2 ASN A 5 -3.573 15.931 -0.774 1.00 0.00 N ATOM 0 H ASN A 5 -6.462 16.002 -2.183 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.899 18.137 -3.522 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.089 15.222 -3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.165 16.481 -3.974 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.149 16.112 0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.294 15.216 -0.867 1.00 0.00 H new ATOM 63 N VAL A 6 -5.834 17.352 -5.729 1.00 0.00 N ATOM 64 CA VAL A 6 -6.482 16.929 -6.970 1.00 0.00 C ATOM 65 C VAL A 6 -5.618 17.252 -8.188 1.00 0.00 C ATOM 66 O VAL A 6 -5.732 18.334 -8.760 1.00 0.00 O ATOM 67 CB VAL A 6 -7.876 17.582 -7.160 1.00 0.00 C ATOM 68 CG1 VAL A 6 -8.583 16.985 -8.370 1.00 0.00 C ATOM 69 CG2 VAL A 6 -8.738 17.429 -5.914 1.00 0.00 C ATOM 0 H VAL A 6 -5.392 18.271 -5.768 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.611 15.850 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.723 18.648 -7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.560 17.454 -8.489 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.985 17.160 -9.264 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.711 15.912 -8.224 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.707 17.898 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.880 16.370 -5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.245 17.909 -5.069 1.00 0.00 H new ATOM 79 N CYS A 7 -4.747 16.310 -8.559 1.00 0.00 N ATOM 80 CA CYS A 7 -3.935 16.407 -9.782 1.00 0.00 C ATOM 81 C CYS A 7 -2.928 15.271 -9.810 1.00 0.00 C ATOM 82 O CYS A 7 -1.777 15.443 -10.213 1.00 0.00 O ATOM 83 CB CYS A 7 -3.199 17.753 -9.867 1.00 0.00 C ATOM 84 SG CYS A 7 -2.513 18.134 -11.501 1.00 0.00 S ATOM 0 H CYS A 7 -4.582 15.458 -8.023 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.604 16.337 -10.640 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.888 18.548 -9.582 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.389 17.756 -9.137 1.00 0.00 H new ATOM 0 HG CYS A 7 -1.917 19.289 -11.463 1.00 0.00 H new ATOM 90 N GLN A 8 -3.365 14.108 -9.366 1.00 0.00 N ATOM 91 CA GLN A 8 -2.467 12.982 -9.190 1.00 0.00 C ATOM 92 C GLN A 8 -2.898 11.781 -10.030 1.00 0.00 C ATOM 93 O GLN A 8 -4.088 11.592 -10.289 1.00 0.00 O ATOM 94 CB GLN A 8 -2.409 12.613 -7.710 1.00 0.00 C ATOM 95 CG GLN A 8 -1.902 13.743 -6.822 1.00 0.00 C ATOM 96 CD GLN A 8 -0.526 14.239 -7.234 1.00 0.00 C ATOM 97 OE1 GLN A 8 0.294 13.478 -7.752 1.00 0.00 O ATOM 98 NE2 GLN A 8 -0.261 15.513 -7.005 1.00 0.00 N ATOM 0 H GLN A 8 -4.337 13.918 -9.120 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.474 13.272 -9.533 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.405 12.319 -7.378 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.762 11.745 -7.585 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.608 14.572 -6.857 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.865 13.399 -5.788 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.966 16.111 -6.574 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.649 15.898 -7.259 1.00 0.00 H new ATOM 107 N PRO A 9 -1.919 10.976 -10.485 1.00 0.00 N ATOM 108 CA PRO A 9 -2.177 9.698 -11.165 1.00 0.00 C ATOM 109 C PRO A 9 -2.815 8.675 -10.223 1.00 0.00 C ATOM 110 O PRO A 9 -2.776 8.839 -9.002 1.00 0.00 O ATOM 111 CB PRO A 9 -0.782 9.219 -11.591 1.00 0.00 C ATOM 112 CG PRO A 9 0.098 10.416 -11.491 1.00 0.00 C ATOM 113 CD PRO A 9 -0.481 11.264 -10.397 1.00 0.00 C ATOM 0 HA PRO A 9 -2.871 9.814 -11.998 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.428 8.417 -10.944 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.796 8.826 -12.608 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.124 10.128 -11.260 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.124 10.961 -12.435 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.075 10.998 -9.421 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.271 12.322 -10.552 1.00 0.00 H new ATOM 121 N THR A 10 -3.378 7.608 -10.785 1.00 0.00 N ATOM 122 CA THR A 10 -4.109 6.622 -9.994 1.00 0.00 C ATOM 123 C THR A 10 -3.174 5.523 -9.466 1.00 0.00 C ATOM 124 O THR A 10 -3.546 4.348 -9.373 1.00 0.00 O ATOM 125 CB THR A 10 -5.241 5.988 -10.824 1.00 0.00 C ATOM 126 OG1 THR A 10 -5.740 6.944 -11.776 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.381 5.541 -9.921 1.00 0.00 C ATOM 0 H THR A 10 -3.342 7.404 -11.784 1.00 0.00 H new ATOM 0 HA THR A 10 -4.542 7.145 -9.141 1.00 0.00 H new ATOM 0 HB THR A 10 -4.840 5.119 -11.346 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.459 6.536 -12.303 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.171 5.096 -10.526 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.012 4.805 -9.207 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.778 6.402 -9.383 1.00 0.00 H new ATOM 135 N GLU A 11 -1.949 5.916 -9.160 1.00 0.00 N ATOM 136 CA GLU A 11 -0.986 5.038 -8.512 1.00 0.00 C ATOM 137 C GLU A 11 -0.167 5.855 -7.526 1.00 0.00 C ATOM 138 O GLU A 11 0.303 6.935 -7.870 1.00 0.00 O ATOM 139 CB GLU A 11 -0.064 4.416 -9.560 1.00 0.00 C ATOM 140 CG GLU A 11 1.066 3.593 -8.973 1.00 0.00 C ATOM 141 CD GLU A 11 2.096 3.215 -10.011 1.00 0.00 C ATOM 142 OE1 GLU A 11 1.895 2.199 -10.706 1.00 0.00 O ATOM 143 OE2 GLU A 11 3.100 3.941 -10.144 1.00 0.00 O ATOM 0 H GLU A 11 -1.593 6.852 -9.353 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.509 4.239 -7.987 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.656 3.783 -10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.359 5.210 -10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.548 4.158 -8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.658 2.688 -8.522 1.00 0.00 H new ATOM 150 N PHE A 12 0.028 5.350 -6.316 1.00 0.00 N ATOM 151 CA PHE A 12 0.776 6.106 -5.324 1.00 0.00 C ATOM 152 C PHE A 12 1.898 5.286 -4.713 1.00 0.00 C ATOM 153 O PHE A 12 1.769 4.078 -4.503 1.00 0.00 O ATOM 154 CB PHE A 12 -0.145 6.667 -4.226 1.00 0.00 C ATOM 155 CG PHE A 12 -0.734 5.660 -3.267 1.00 0.00 C ATOM 156 CD1 PHE A 12 -1.926 5.015 -3.555 1.00 0.00 C ATOM 157 CD2 PHE A 12 -0.113 5.395 -2.055 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.483 4.119 -2.659 1.00 0.00 C ATOM 159 CE2 PHE A 12 -0.670 4.505 -1.152 1.00 0.00 C ATOM 160 CZ PHE A 12 -1.856 3.865 -1.454 1.00 0.00 C ATOM 0 H PHE A 12 -0.313 4.441 -6.003 1.00 0.00 H new ATOM 0 HA PHE A 12 1.228 6.947 -5.849 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.418 7.400 -3.649 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.964 7.201 -4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.427 5.214 -4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.816 5.889 -1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.408 3.618 -2.902 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.177 4.311 -0.211 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.291 3.169 -0.752 1.00 0.00 H new ATOM 170 N ILE A 13 3.005 5.960 -4.451 1.00 0.00 N ATOM 171 CA ILE A 13 4.129 5.353 -3.770 1.00 0.00 C ATOM 172 C ILE A 13 4.067 5.701 -2.292 1.00 0.00 C ATOM 173 O ILE A 13 3.953 6.871 -1.923 1.00 0.00 O ATOM 174 CB ILE A 13 5.477 5.832 -4.355 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.543 5.523 -5.854 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.643 5.177 -3.621 1.00 0.00 C ATOM 177 CD1 ILE A 13 6.800 6.036 -6.529 1.00 0.00 C ATOM 0 H ILE A 13 3.147 6.938 -4.704 1.00 0.00 H new ATOM 0 HA ILE A 13 4.067 4.274 -3.909 1.00 0.00 H new ATOM 0 HB ILE A 13 5.551 6.911 -4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.480 4.444 -5.996 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.674 5.961 -6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.583 5.526 -4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.603 5.442 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.577 4.094 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.775 5.779 -7.588 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.856 7.119 -6.419 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.674 5.579 -6.066 1.00 0.00 H new ATOM 189 N SER A 14 4.121 4.689 -1.455 1.00 0.00 N ATOM 190 CA SER A 14 4.049 4.892 -0.023 1.00 0.00 C ATOM 191 C SER A 14 5.083 4.034 0.687 1.00 0.00 C ATOM 192 O SER A 14 5.392 2.927 0.247 1.00 0.00 O ATOM 193 CB SER A 14 2.637 4.578 0.477 1.00 0.00 C ATOM 194 OG SER A 14 2.182 3.335 -0.029 1.00 0.00 O ATOM 0 H SER A 14 4.215 3.714 -1.741 1.00 0.00 H new ATOM 0 HA SER A 14 4.270 5.936 0.201 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.630 4.555 1.567 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.955 5.371 0.171 1.00 0.00 H new ATOM 0 HG SER A 14 2.834 2.636 0.186 1.00 0.00 H new ATOM 200 N ARG A 15 5.633 4.548 1.772 1.00 0.00 N ATOM 201 CA ARG A 15 6.622 3.817 2.537 1.00 0.00 C ATOM 202 C ARG A 15 6.114 3.614 3.953 1.00 0.00 C ATOM 203 O ARG A 15 5.654 4.561 4.602 1.00 0.00 O ATOM 204 CB ARG A 15 7.963 4.559 2.536 1.00 0.00 C ATOM 205 CG ARG A 15 8.538 4.751 1.141 1.00 0.00 C ATOM 206 CD ARG A 15 9.958 5.287 1.175 1.00 0.00 C ATOM 207 NE ARG A 15 10.044 6.648 1.705 1.00 0.00 N ATOM 208 CZ ARG A 15 11.163 7.372 1.681 1.00 0.00 C ATOM 209 NH1 ARG A 15 12.282 6.843 1.203 1.00 0.00 N ATOM 210 NH2 ARG A 15 11.174 8.614 2.150 1.00 0.00 N ATOM 0 H ARG A 15 5.410 5.472 2.143 1.00 0.00 H new ATOM 0 HA ARG A 15 6.784 2.842 2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.832 5.534 3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.678 4.005 3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.523 3.799 0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.905 5.439 0.580 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.575 4.626 1.784 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.371 5.269 0.167 1.00 0.00 H new ATOM 0 HE ARG A 15 9.206 7.063 2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.285 5.884 0.855 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.139 7.395 1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.321 9.022 2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.035 9.160 2.127 1.00 0.00 H new ATOM 224 N HIS A 16 6.168 2.382 4.426 1.00 0.00 N ATOM 225 CA HIS A 16 5.604 2.062 5.719 1.00 0.00 C ATOM 226 C HIS A 16 6.541 1.194 6.542 1.00 0.00 C ATOM 227 O HIS A 16 7.450 0.561 6.012 1.00 0.00 O ATOM 228 CB HIS A 16 4.228 1.384 5.568 1.00 0.00 C ATOM 229 CG HIS A 16 4.212 0.065 4.852 1.00 0.00 C ATOM 230 ND1 HIS A 16 3.281 -0.244 3.884 1.00 0.00 N ATOM 231 CD2 HIS A 16 4.963 -1.050 5.008 1.00 0.00 C ATOM 232 CE1 HIS A 16 3.456 -1.489 3.487 1.00 0.00 C ATOM 233 NE2 HIS A 16 4.472 -2.000 4.151 1.00 0.00 N ATOM 0 H HIS A 16 6.593 1.594 3.937 1.00 0.00 H new ATOM 0 HA HIS A 16 5.469 3.002 6.255 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.807 1.238 6.563 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.565 2.069 5.039 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.797 -1.169 5.684 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.866 -2.003 2.743 1.00 0.00 H new ATOM 0 HE2 HIS A 16 4.834 -2.948 4.045 1.00 0.00 H new ATOM 242 N ASN A 17 6.284 1.156 7.836 1.00 0.00 N ATOM 243 CA ASN A 17 7.036 0.318 8.753 1.00 0.00 C ATOM 244 C ASN A 17 6.601 -1.128 8.548 1.00 0.00 C ATOM 245 O ASN A 17 5.480 -1.374 8.098 1.00 0.00 O ATOM 246 CB ASN A 17 6.786 0.771 10.202 1.00 0.00 C ATOM 247 CG ASN A 17 6.101 -0.281 11.055 1.00 0.00 C ATOM 248 OD1 ASN A 17 4.886 -0.446 10.993 1.00 0.00 O ATOM 249 ND2 ASN A 17 6.867 -0.980 11.875 1.00 0.00 N ATOM 0 H ASN A 17 5.549 1.705 8.282 1.00 0.00 H new ATOM 0 HA ASN A 17 8.105 0.404 8.558 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.738 1.036 10.661 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.175 1.674 10.192 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.452 -1.685 12.484 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.873 -0.815 11.898 1.00 0.00 H new ATOM 256 N ILE A 18 7.500 -2.059 8.876 1.00 0.00 N ATOM 257 CA ILE A 18 7.364 -3.484 8.532 1.00 0.00 C ATOM 258 C ILE A 18 6.005 -4.086 8.889 1.00 0.00 C ATOM 259 O ILE A 18 5.571 -5.034 8.240 1.00 0.00 O ATOM 260 CB ILE A 18 8.471 -4.328 9.198 1.00 0.00 C ATOM 261 CG1 ILE A 18 8.481 -4.104 10.715 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.826 -3.993 8.590 1.00 0.00 C ATOM 263 CD1 ILE A 18 9.481 -4.970 11.454 1.00 0.00 C ATOM 0 H ILE A 18 8.353 -1.847 9.393 1.00 0.00 H new ATOM 0 HA ILE A 18 7.460 -3.517 7.447 1.00 0.00 H new ATOM 0 HB ILE A 18 8.264 -5.382 9.015 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.703 -3.056 10.917 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.484 -4.300 11.109 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.598 -4.595 9.069 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.808 -4.208 7.522 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.043 -2.936 8.744 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.430 -4.755 12.521 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.248 -6.021 11.284 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.486 -4.758 11.089 1.00 0.00 H new ATOM 275 N GLU A 19 5.339 -3.541 9.903 1.00 0.00 N ATOM 276 CA GLU A 19 4.031 -4.047 10.319 1.00 0.00 C ATOM 277 C GLU A 19 2.949 -3.658 9.315 1.00 0.00 C ATOM 278 O GLU A 19 1.856 -4.220 9.313 1.00 0.00 O ATOM 279 CB GLU A 19 3.657 -3.509 11.702 1.00 0.00 C ATOM 280 CG GLU A 19 4.634 -3.899 12.795 1.00 0.00 C ATOM 281 CD GLU A 19 4.190 -3.421 14.162 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.216 -2.198 14.407 1.00 0.00 O ATOM 283 OE2 GLU A 19 3.814 -4.268 14.999 1.00 0.00 O ATOM 0 H GLU A 19 5.680 -2.752 10.451 1.00 0.00 H new ATOM 0 HA GLU A 19 4.098 -5.134 10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.595 -2.422 11.654 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.665 -3.874 11.967 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.745 -4.983 12.810 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.615 -3.482 12.568 1.00 0.00 H new ATOM 290 N GLY A 20 3.270 -2.703 8.456 1.00 0.00 N ATOM 291 CA GLY A 20 2.308 -2.196 7.502 1.00 0.00 C ATOM 292 C GLY A 20 1.812 -0.813 7.868 1.00 0.00 C ATOM 293 O GLY A 20 0.826 -0.336 7.307 1.00 0.00 O ATOM 0 H GLY A 20 4.190 -2.266 8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.762 -2.167 6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.461 -2.880 7.444 1.00 0.00 H new ATOM 297 N ILE A 21 2.511 -0.153 8.786 1.00 0.00 N ATOM 298 CA ILE A 21 2.072 1.151 9.289 1.00 0.00 C ATOM 299 C ILE A 21 2.686 2.273 8.463 1.00 0.00 C ATOM 300 O ILE A 21 3.908 2.426 8.429 1.00 0.00 O ATOM 301 CB ILE A 21 2.461 1.349 10.773 1.00 0.00 C ATOM 302 CG1 ILE A 21 1.815 0.273 11.651 1.00 0.00 C ATOM 303 CG2 ILE A 21 2.063 2.739 11.256 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.304 0.348 11.700 1.00 0.00 C ATOM 0 H ILE A 21 3.380 -0.495 9.197 1.00 0.00 H new ATOM 0 HA ILE A 21 0.986 1.180 9.205 1.00 0.00 H new ATOM 0 HB ILE A 21 3.544 1.255 10.853 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.109 -0.709 11.280 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.207 0.361 12.664 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.346 2.856 12.302 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.573 3.493 10.656 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.985 2.864 11.156 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.079 -0.446 12.341 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.001 1.316 12.100 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.099 0.228 10.694 1.00 0.00 H new ATOM 316 N PHE A 22 1.844 3.053 7.797 1.00 0.00 N ATOM 317 CA PHE A 22 2.319 4.113 6.916 1.00 0.00 C ATOM 318 C PHE A 22 3.009 5.226 7.694 1.00 0.00 C ATOM 319 O PHE A 22 2.525 5.664 8.741 1.00 0.00 O ATOM 320 CB PHE A 22 1.163 4.695 6.107 1.00 0.00 C ATOM 321 CG PHE A 22 0.608 3.744 5.090 1.00 0.00 C ATOM 322 CD1 PHE A 22 1.240 3.574 3.870 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.547 3.024 5.350 1.00 0.00 C ATOM 324 CE1 PHE A 22 0.732 2.701 2.928 1.00 0.00 C ATOM 325 CE2 PHE A 22 -1.058 2.152 4.412 1.00 0.00 C ATOM 326 CZ PHE A 22 -0.419 1.991 3.199 1.00 0.00 C ATOM 0 H PHE A 22 0.829 2.972 7.850 1.00 0.00 H new ATOM 0 HA PHE A 22 3.048 3.668 6.239 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.366 4.992 6.789 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.503 5.599 5.601 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.140 4.130 3.653 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.052 3.147 6.297 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.235 2.575 1.981 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.958 1.595 4.626 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.820 1.310 2.463 1.00 0.00 H new ATOM 336 N THR A 23 4.149 5.667 7.181 1.00 0.00 N ATOM 337 CA THR A 23 4.881 6.766 7.781 1.00 0.00 C ATOM 338 C THR A 23 5.080 7.886 6.757 1.00 0.00 C ATOM 339 O THR A 23 5.160 9.063 7.112 1.00 0.00 O ATOM 340 CB THR A 23 6.243 6.296 8.353 1.00 0.00 C ATOM 341 OG1 THR A 23 6.878 7.361 9.063 1.00 0.00 O ATOM 342 CG2 THR A 23 7.168 5.796 7.251 1.00 0.00 C ATOM 0 H THR A 23 4.586 5.276 6.346 1.00 0.00 H new ATOM 0 HA THR A 23 4.293 7.150 8.614 1.00 0.00 H new ATOM 0 HB THR A 23 6.044 5.470 9.036 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.736 7.050 9.420 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.114 5.475 7.688 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.701 4.956 6.738 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.352 6.600 6.538 1.00 0.00 H new ATOM 350 N PHE A 24 5.132 7.516 5.476 1.00 0.00 N ATOM 351 CA PHE A 24 5.233 8.489 4.398 1.00 0.00 C ATOM 352 C PHE A 24 4.354 8.077 3.224 1.00 0.00 C ATOM 353 O PHE A 24 4.508 6.985 2.672 1.00 0.00 O ATOM 354 CB PHE A 24 6.687 8.643 3.937 1.00 0.00 C ATOM 355 CG PHE A 24 6.848 9.514 2.720 1.00 0.00 C ATOM 356 CD1 PHE A 24 6.631 10.881 2.793 1.00 0.00 C ATOM 357 CD2 PHE A 24 7.216 8.960 1.503 1.00 0.00 C ATOM 358 CE1 PHE A 24 6.778 11.679 1.675 1.00 0.00 C ATOM 359 CE2 PHE A 24 7.364 9.755 0.382 1.00 0.00 C ATOM 360 CZ PHE A 24 7.145 11.117 0.468 1.00 0.00 C ATOM 0 H PHE A 24 5.105 6.545 5.164 1.00 0.00 H new ATOM 0 HA PHE A 24 4.887 9.450 4.777 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.275 9.063 4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.097 7.656 3.723 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.344 11.327 3.734 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.389 7.896 1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.606 12.743 1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.651 9.312 -0.560 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.261 11.740 -0.406 1.00 0.00 H new ATOM 370 N VAL A 25 3.430 8.950 2.858 1.00 0.00 N ATOM 371 CA VAL A 25 2.542 8.711 1.729 1.00 0.00 C ATOM 372 C VAL A 25 2.634 9.860 0.734 1.00 0.00 C ATOM 373 O VAL A 25 2.618 11.030 1.124 1.00 0.00 O ATOM 374 CB VAL A 25 1.072 8.559 2.181 1.00 0.00 C ATOM 375 CG1 VAL A 25 0.149 8.432 0.975 1.00 0.00 C ATOM 376 CG2 VAL A 25 0.915 7.359 3.100 1.00 0.00 C ATOM 0 H VAL A 25 3.274 9.840 3.331 1.00 0.00 H new ATOM 0 HA VAL A 25 2.861 7.781 1.259 1.00 0.00 H new ATOM 0 HB VAL A 25 0.792 9.455 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.881 8.326 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.236 9.324 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.431 7.555 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.127 7.270 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.217 6.454 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.543 7.491 3.981 1.00 0.00 H new ATOM 386 N ASP A 26 2.751 9.531 -0.543 1.00 0.00 N ATOM 387 CA ASP A 26 2.777 10.531 -1.599 1.00 0.00 C ATOM 388 C ASP A 26 1.359 10.945 -1.997 1.00 0.00 C ATOM 389 O ASP A 26 0.412 10.160 -1.909 1.00 0.00 O ATOM 390 CB ASP A 26 3.529 9.982 -2.810 1.00 0.00 C ATOM 391 CG ASP A 26 3.503 10.929 -3.984 1.00 0.00 C ATOM 392 OD1 ASP A 26 4.323 11.872 -4.018 1.00 0.00 O ATOM 393 OD2 ASP A 26 2.656 10.740 -4.876 1.00 0.00 O ATOM 0 H ASP A 26 2.830 8.570 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 26 3.293 11.416 -1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.564 9.782 -2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.089 9.030 -3.106 1.00 0.00 H new ATOM 398 N HIS A 27 1.242 12.208 -2.416 1.00 0.00 N ATOM 399 CA HIS A 27 -0.037 12.863 -2.730 1.00 0.00 C ATOM 400 C HIS A 27 -0.943 12.040 -3.636 1.00 0.00 C ATOM 401 O HIS A 27 -2.160 12.201 -3.583 1.00 0.00 O ATOM 402 CB HIS A 27 0.215 14.205 -3.415 1.00 0.00 C ATOM 403 CG HIS A 27 0.989 15.198 -2.600 1.00 0.00 C ATOM 404 ND1 HIS A 27 2.289 15.549 -2.884 1.00 0.00 N ATOM 405 CD2 HIS A 27 0.627 15.941 -1.530 1.00 0.00 C ATOM 406 CE1 HIS A 27 2.695 16.462 -2.021 1.00 0.00 C ATOM 407 NE2 HIS A 27 1.702 16.722 -1.188 1.00 0.00 N ATOM 0 H HIS A 27 2.048 12.819 -2.550 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.544 12.987 -1.773 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.752 14.025 -4.346 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.746 14.646 -3.681 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.333 15.923 -1.035 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.673 16.919 -1.999 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.730 17.392 -0.419 1.00 0.00 H new ATOM 416 N ARG A 28 -0.361 11.176 -4.462 1.00 0.00 N ATOM 417 CA ARG A 28 -1.127 10.385 -5.431 1.00 0.00 C ATOM 418 C ARG A 28 -2.137 9.453 -4.747 1.00 0.00 C ATOM 419 O ARG A 28 -3.005 8.876 -5.407 1.00 0.00 O ATOM 420 CB ARG A 28 -0.176 9.564 -6.301 1.00 0.00 C ATOM 421 CG ARG A 28 0.734 10.391 -7.197 1.00 0.00 C ATOM 422 CD ARG A 28 1.808 9.524 -7.835 1.00 0.00 C ATOM 423 NE ARG A 28 2.697 10.277 -8.720 1.00 0.00 N ATOM 424 CZ ARG A 28 3.887 10.743 -8.352 1.00 0.00 C ATOM 425 NH1 ARG A 28 4.251 10.709 -7.078 1.00 0.00 N ATOM 426 NH2 ARG A 28 4.690 11.292 -9.248 1.00 0.00 N ATOM 0 H ARG A 28 0.644 11.002 -4.483 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.689 11.084 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.441 8.941 -5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.764 8.891 -6.925 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.143 10.874 -7.975 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.201 11.184 -6.613 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.399 9.051 -7.051 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.332 8.724 -8.402 1.00 0.00 H new ATOM 0 HE ARG A 28 2.386 10.455 -9.675 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.618 10.325 -6.377 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.164 11.067 -6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.397 11.358 -10.223 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.602 11.649 -8.964 1.00 0.00 H new ATOM 440 N CYS A 29 -2.025 9.313 -3.430 1.00 0.00 N ATOM 441 CA CYS A 29 -2.911 8.440 -2.669 1.00 0.00 C ATOM 442 C CYS A 29 -4.364 8.900 -2.761 1.00 0.00 C ATOM 443 O CYS A 29 -5.287 8.079 -2.775 1.00 0.00 O ATOM 444 CB CYS A 29 -2.456 8.375 -1.213 1.00 0.00 C ATOM 445 SG CYS A 29 -3.289 7.108 -0.233 1.00 0.00 S ATOM 0 H CYS A 29 -1.326 9.796 -2.866 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.857 7.441 -3.102 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.382 8.190 -1.188 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.623 9.347 -0.748 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.827 5.936 -0.556 1.00 0.00 H new ATOM 451 N VAL A 30 -4.561 10.211 -2.849 1.00 0.00 N ATOM 452 CA VAL A 30 -5.896 10.779 -2.961 1.00 0.00 C ATOM 453 C VAL A 30 -6.601 10.273 -4.215 1.00 0.00 C ATOM 454 O VAL A 30 -7.765 9.894 -4.171 1.00 0.00 O ATOM 455 CB VAL A 30 -5.847 12.323 -2.982 1.00 0.00 C ATOM 456 CG1 VAL A 30 -5.196 12.849 -1.721 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.098 12.840 -4.202 1.00 0.00 C ATOM 0 H VAL A 30 -3.809 10.901 -2.845 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.459 10.459 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.874 12.683 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.170 13.938 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.770 12.525 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.179 12.463 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.083 13.930 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.076 12.463 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.599 12.498 -5.108 1.00 0.00 H new ATOM 467 N ALA A 31 -5.870 10.235 -5.320 1.00 0.00 N ATOM 468 CA ALA A 31 -6.451 9.851 -6.596 1.00 0.00 C ATOM 469 C ALA A 31 -6.690 8.353 -6.650 1.00 0.00 C ATOM 470 O ALA A 31 -7.773 7.899 -7.024 1.00 0.00 O ATOM 471 CB ALA A 31 -5.551 10.286 -7.738 1.00 0.00 C ATOM 0 H ALA A 31 -4.877 10.465 -5.358 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.413 10.353 -6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.999 9.992 -8.687 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.431 11.369 -7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.576 9.810 -7.634 1.00 0.00 H new ATOM 477 N THR A 32 -5.660 7.596 -6.299 1.00 0.00 N ATOM 478 CA THR A 32 -5.725 6.144 -6.281 1.00 0.00 C ATOM 479 C THR A 32 -6.900 5.605 -5.456 1.00 0.00 C ATOM 480 O THR A 32 -7.630 4.727 -5.915 1.00 0.00 O ATOM 481 CB THR A 32 -4.414 5.564 -5.727 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.297 6.236 -6.328 1.00 0.00 O ATOM 483 CG2 THR A 32 -4.315 4.072 -6.006 1.00 0.00 C ATOM 0 H THR A 32 -4.755 7.973 -6.018 1.00 0.00 H new ATOM 0 HA THR A 32 -5.878 5.829 -7.313 1.00 0.00 H new ATOM 0 HB THR A 32 -4.403 5.716 -4.648 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.140 7.086 -5.867 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.378 3.688 -5.603 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.151 3.557 -5.533 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.345 3.900 -7.082 1.00 0.00 H new ATOM 491 N VAL A 33 -7.089 6.121 -4.242 1.00 0.00 N ATOM 492 CA VAL A 33 -8.104 5.558 -3.352 1.00 0.00 C ATOM 493 C VAL A 33 -8.940 6.624 -2.651 1.00 0.00 C ATOM 494 O VAL A 33 -10.104 6.389 -2.330 1.00 0.00 O ATOM 495 CB VAL A 33 -7.487 4.619 -2.294 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.986 3.348 -2.948 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.364 5.309 -1.535 1.00 0.00 C ATOM 0 H VAL A 33 -6.567 6.909 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.764 4.983 -4.001 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.265 4.360 -1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.553 2.695 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.817 2.838 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.227 3.595 -3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.949 4.623 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.582 5.607 -2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.755 6.192 -1.030 1.00 0.00 H new ATOM 507 N GLY A 34 -8.369 7.792 -2.415 1.00 0.00 N ATOM 508 CA GLY A 34 -9.110 8.821 -1.717 1.00 0.00 C ATOM 509 C GLY A 34 -8.549 9.136 -0.349 1.00 0.00 C ATOM 510 O GLY A 34 -9.087 9.975 0.366 1.00 0.00 O ATOM 0 H GLY A 34 -7.420 8.046 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.113 9.729 -2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.148 8.505 -1.613 1.00 0.00 H new ATOM 514 N TYR A 35 -7.490 8.449 0.043 1.00 0.00 N ATOM 515 CA TYR A 35 -6.839 8.769 1.297 1.00 0.00 C ATOM 516 C TYR A 35 -5.754 9.792 1.072 1.00 0.00 C ATOM 517 O TYR A 35 -4.775 9.538 0.379 1.00 0.00 O ATOM 518 CB TYR A 35 -6.249 7.539 1.986 1.00 0.00 C ATOM 519 CG TYR A 35 -7.289 6.579 2.514 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.440 7.051 3.131 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.111 5.205 2.421 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.387 6.185 3.634 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.053 4.330 2.923 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.191 4.825 3.530 1.00 0.00 C ATOM 525 OH TYR A 35 -10.139 3.963 4.027 1.00 0.00 O ATOM 0 H TYR A 35 -7.070 7.680 -0.479 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.606 9.175 1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.606 7.012 1.281 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.616 7.865 2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.596 8.116 3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.222 4.815 1.949 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.278 6.570 4.107 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.901 3.264 2.842 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.821 3.578 4.870 1.00 0.00 H new ATOM 535 N GLN A 36 -5.954 10.955 1.640 1.00 0.00 N ATOM 536 CA GLN A 36 -4.942 11.985 1.619 1.00 0.00 C ATOM 537 C GLN A 36 -3.803 11.482 2.489 1.00 0.00 C ATOM 538 O GLN A 36 -4.066 10.796 3.469 1.00 0.00 O ATOM 539 CB GLN A 36 -5.496 13.317 2.157 1.00 0.00 C ATOM 540 CG GLN A 36 -7.014 13.454 2.060 1.00 0.00 C ATOM 541 CD GLN A 36 -7.541 13.398 0.635 1.00 0.00 C ATOM 542 OE1 GLN A 36 -7.747 12.330 0.081 1.00 0.00 O ATOM 543 NE2 GLN A 36 -7.834 14.547 0.059 1.00 0.00 N ATOM 0 H GLN A 36 -6.813 11.214 2.125 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.604 12.180 0.601 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.200 13.425 3.200 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.034 14.137 1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.480 12.659 2.642 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.315 14.399 2.513 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.650 15.424 0.547 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.244 14.559 -0.875 1.00 0.00 H new ATOM 552 N PRO A 37 -2.544 11.779 2.140 1.00 0.00 N ATOM 553 CA PRO A 37 -1.374 11.245 2.852 1.00 0.00 C ATOM 554 C PRO A 37 -1.537 11.235 4.374 1.00 0.00 C ATOM 555 O PRO A 37 -1.245 10.235 5.026 1.00 0.00 O ATOM 556 CB PRO A 37 -0.264 12.192 2.419 1.00 0.00 C ATOM 557 CG PRO A 37 -0.644 12.565 1.027 1.00 0.00 C ATOM 558 CD PRO A 37 -2.147 12.653 1.022 1.00 0.00 C ATOM 0 HA PRO A 37 -1.189 10.198 2.611 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.208 13.067 3.067 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.712 11.707 2.452 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.196 13.516 0.741 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.293 11.820 0.313 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.490 13.677 1.171 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.566 12.311 0.076 1.00 0.00 H new ATOM 566 N GLN A 38 -2.047 12.336 4.925 1.00 0.00 N ATOM 567 CA GLN A 38 -2.283 12.439 6.368 1.00 0.00 C ATOM 568 C GLN A 38 -3.260 11.364 6.843 1.00 0.00 C ATOM 569 O GLN A 38 -3.034 10.710 7.862 1.00 0.00 O ATOM 570 CB GLN A 38 -2.848 13.814 6.734 1.00 0.00 C ATOM 571 CG GLN A 38 -1.961 14.979 6.331 1.00 0.00 C ATOM 572 CD GLN A 38 -0.622 14.977 7.043 1.00 0.00 C ATOM 573 OE1 GLN A 38 -0.476 15.556 8.117 1.00 0.00 O ATOM 574 NE2 GLN A 38 0.367 14.342 6.440 1.00 0.00 N ATOM 0 H GLN A 38 -2.305 13.169 4.396 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.321 12.298 6.861 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.822 13.932 6.259 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.012 13.852 7.811 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.794 14.946 5.254 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.479 15.914 6.545 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.204 13.874 5.549 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.294 14.320 6.866 1.00 0.00 H new ATOM 583 N GLU A 39 -4.319 11.155 6.065 1.00 0.00 N ATOM 584 CA GLU A 39 -5.421 10.284 6.454 1.00 0.00 C ATOM 585 C GLU A 39 -5.032 8.816 6.384 1.00 0.00 C ATOM 586 O GLU A 39 -5.839 7.944 6.691 1.00 0.00 O ATOM 587 CB GLU A 39 -6.638 10.534 5.563 1.00 0.00 C ATOM 588 CG GLU A 39 -7.346 11.847 5.854 1.00 0.00 C ATOM 589 CD GLU A 39 -7.938 11.875 7.247 1.00 0.00 C ATOM 590 OE1 GLU A 39 -9.093 11.429 7.416 1.00 0.00 O ATOM 591 OE2 GLU A 39 -7.248 12.328 8.182 1.00 0.00 O ATOM 0 H GLU A 39 -4.436 11.585 5.148 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.670 10.520 7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.322 10.525 4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.345 9.714 5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.641 12.671 5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.137 12.003 5.121 1.00 0.00 H new ATOM 598 N LEU A 40 -3.820 8.541 5.947 1.00 0.00 N ATOM 599 CA LEU A 40 -3.332 7.178 5.897 1.00 0.00 C ATOM 600 C LEU A 40 -2.216 6.972 6.920 1.00 0.00 C ATOM 601 O LEU A 40 -1.986 5.858 7.388 1.00 0.00 O ATOM 602 CB LEU A 40 -2.842 6.885 4.478 1.00 0.00 C ATOM 603 CG LEU A 40 -2.684 5.410 4.114 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.990 4.663 4.336 1.00 0.00 C ATOM 605 CD2 LEU A 40 -2.242 5.278 2.665 1.00 0.00 C ATOM 0 H LEU A 40 -3.155 9.243 5.622 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.136 6.486 6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.538 7.340 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.880 7.378 4.338 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.923 4.971 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.859 3.614 4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.279 4.739 5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.770 5.100 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.131 4.223 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.990 5.730 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.287 5.786 2.528 1.00 0.00 H new ATOM 617 N LEU A 41 -1.535 8.061 7.268 1.00 0.00 N ATOM 618 CA LEU A 41 -0.437 8.010 8.230 1.00 0.00 C ATOM 619 C LEU A 41 -0.915 7.547 9.602 1.00 0.00 C ATOM 620 O LEU A 41 -1.915 8.043 10.123 1.00 0.00 O ATOM 621 CB LEU A 41 0.228 9.382 8.362 1.00 0.00 C ATOM 622 CG LEU A 41 0.813 9.957 7.072 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.436 11.318 7.332 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.836 9.006 6.471 1.00 0.00 C ATOM 0 H LEU A 41 -1.725 8.992 6.897 1.00 0.00 H new ATOM 0 HA LEU A 41 0.288 7.288 7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.507 10.086 8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.026 9.310 9.102 1.00 0.00 H new ATOM 0 HG LEU A 41 0.002 10.079 6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.848 11.713 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.675 12.000 7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.233 11.219 8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.238 9.437 5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.646 8.846 7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.358 8.053 6.245 1.00 0.00 H new ATOM 636 N GLY A 42 -0.211 6.573 10.166 1.00 0.00 N ATOM 637 CA GLY A 42 -0.497 6.131 11.519 1.00 0.00 C ATOM 638 C GLY A 42 -1.316 4.858 11.553 1.00 0.00 C ATOM 639 O GLY A 42 -1.307 4.129 12.545 1.00 0.00 O ATOM 0 H GLY A 42 0.556 6.079 9.709 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.441 5.970 12.051 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.033 6.918 12.049 1.00 0.00 H new ATOM 643 N LYS A 43 -2.015 4.588 10.464 1.00 0.00 N ATOM 644 CA LYS A 43 -2.874 3.422 10.366 1.00 0.00 C ATOM 645 C LYS A 43 -2.258 2.396 9.423 1.00 0.00 C ATOM 646 O LYS A 43 -1.439 2.741 8.565 1.00 0.00 O ATOM 647 CB LYS A 43 -4.258 3.867 9.892 1.00 0.00 C ATOM 648 CG LYS A 43 -4.879 4.893 10.825 1.00 0.00 C ATOM 649 CD LYS A 43 -6.226 5.394 10.336 1.00 0.00 C ATOM 650 CE LYS A 43 -6.069 6.240 9.090 1.00 0.00 C ATOM 651 NZ LYS A 43 -7.346 6.882 8.678 1.00 0.00 N ATOM 0 H LYS A 43 -2.003 5.169 9.626 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.977 2.946 11.341 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.179 4.289 8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.913 2.999 9.821 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.998 4.452 11.815 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.199 5.738 10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.879 4.547 10.125 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.707 5.980 11.120 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.319 7.010 9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.699 5.618 8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.218 7.352 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.088 6.158 8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.626 7.586 9.391 1.00 0.00 H new ATOM 665 N ASN A 44 -2.629 1.138 9.606 1.00 0.00 N ATOM 666 CA ASN A 44 -2.050 0.045 8.839 1.00 0.00 C ATOM 667 C ASN A 44 -2.719 -0.073 7.482 1.00 0.00 C ATOM 668 O ASN A 44 -3.916 0.188 7.345 1.00 0.00 O ATOM 669 CB ASN A 44 -2.227 -1.280 9.583 1.00 0.00 C ATOM 670 CG ASN A 44 -1.232 -2.335 9.142 1.00 0.00 C ATOM 671 OD1 ASN A 44 -1.390 -2.955 8.094 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.218 -2.575 9.958 1.00 0.00 N ATOM 0 H ASN A 44 -3.333 0.847 10.284 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.990 0.259 8.707 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.118 -1.108 10.654 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.239 -1.651 9.421 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.465 -3.296 9.724 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.120 -2.039 10.820 1.00 0.00 H new ATOM 679 N ILE A 45 -1.946 -0.483 6.488 1.00 0.00 N ATOM 680 CA ILE A 45 -2.482 -0.761 5.165 1.00 0.00 C ATOM 681 C ILE A 45 -3.540 -1.859 5.240 1.00 0.00 C ATOM 682 O ILE A 45 -4.576 -1.774 4.588 1.00 0.00 O ATOM 683 CB ILE A 45 -1.362 -1.169 4.169 1.00 0.00 C ATOM 684 CG1 ILE A 45 -1.955 -1.497 2.794 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.549 -2.344 4.705 1.00 0.00 C ATOM 686 CD1 ILE A 45 -0.916 -1.803 1.736 1.00 0.00 C ATOM 0 H ILE A 45 -0.940 -0.631 6.574 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.942 0.156 4.797 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.686 -0.321 4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.623 -2.353 2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.562 -0.655 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.227 -2.607 3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.087 -2.065 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.206 -3.200 4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.413 -2.025 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.262 -0.940 1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.324 -2.664 2.046 1.00 0.00 H new ATOM 698 N VAL A 46 -3.293 -2.854 6.092 1.00 0.00 N ATOM 699 CA VAL A 46 -4.167 -4.011 6.226 1.00 0.00 C ATOM 700 C VAL A 46 -5.521 -3.612 6.820 1.00 0.00 C ATOM 701 O VAL A 46 -6.530 -4.284 6.606 1.00 0.00 O ATOM 702 CB VAL A 46 -3.499 -5.097 7.106 1.00 0.00 C ATOM 703 CG1 VAL A 46 -4.424 -6.281 7.330 1.00 0.00 C ATOM 704 CG2 VAL A 46 -2.195 -5.563 6.477 1.00 0.00 C ATOM 0 H VAL A 46 -2.480 -2.877 6.707 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.337 -4.419 5.230 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.286 -4.649 8.077 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.922 -7.023 7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.332 -5.944 7.830 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.683 -6.727 6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.739 -6.326 7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.396 -5.981 5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.515 -4.717 6.381 1.00 0.00 H new ATOM 714 N GLU A 47 -5.545 -2.493 7.536 1.00 0.00 N ATOM 715 CA GLU A 47 -6.782 -1.997 8.135 1.00 0.00 C ATOM 716 C GLU A 47 -7.744 -1.547 7.045 1.00 0.00 C ATOM 717 O GLU A 47 -8.961 -1.665 7.179 1.00 0.00 O ATOM 718 CB GLU A 47 -6.510 -0.835 9.099 1.00 0.00 C ATOM 719 CG GLU A 47 -5.780 -1.247 10.369 1.00 0.00 C ATOM 720 CD GLU A 47 -5.593 -0.096 11.338 1.00 0.00 C ATOM 721 OE1 GLU A 47 -6.539 0.211 12.094 1.00 0.00 O ATOM 722 OE2 GLU A 47 -4.495 0.491 11.369 1.00 0.00 O ATOM 0 H GLU A 47 -4.726 -1.913 7.716 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.229 -2.812 8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.921 -0.077 8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.458 -0.371 9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.338 -2.044 10.861 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.805 -1.657 10.106 1.00 0.00 H new ATOM 729 N PHE A 48 -7.183 -1.048 5.953 1.00 0.00 N ATOM 730 CA PHE A 48 -7.975 -0.603 4.820 1.00 0.00 C ATOM 731 C PHE A 48 -7.893 -1.620 3.697 1.00 0.00 C ATOM 732 O PHE A 48 -8.148 -1.309 2.535 1.00 0.00 O ATOM 733 CB PHE A 48 -7.501 0.761 4.341 1.00 0.00 C ATOM 734 CG PHE A 48 -7.560 1.805 5.413 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.771 2.142 5.996 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.413 2.445 5.842 1.00 0.00 C ATOM 737 CE1 PHE A 48 -8.836 3.098 6.986 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.472 3.405 6.833 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.686 3.730 7.404 1.00 0.00 C ATOM 0 H PHE A 48 -6.176 -0.942 5.829 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.015 -0.512 5.134 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.477 0.678 3.977 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.114 1.078 3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.675 1.649 5.670 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.461 2.192 5.398 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.786 3.351 7.433 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.570 3.901 7.161 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.734 4.480 8.179 1.00 0.00 H new ATOM 749 N CYS A 49 -7.520 -2.832 4.063 1.00 0.00 N ATOM 750 CA CYS A 49 -7.438 -3.925 3.127 1.00 0.00 C ATOM 751 C CYS A 49 -8.543 -4.940 3.384 1.00 0.00 C ATOM 752 O CYS A 49 -8.765 -5.362 4.522 1.00 0.00 O ATOM 753 CB CYS A 49 -6.073 -4.571 3.256 1.00 0.00 C ATOM 754 SG CYS A 49 -4.752 -3.629 2.468 1.00 0.00 S ATOM 0 H CYS A 49 -7.266 -3.081 5.019 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.570 -3.549 2.112 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.838 -4.697 4.313 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.109 -5.568 2.817 1.00 0.00 H new ATOM 0 HG CYS A 49 -4.746 -3.874 1.191 1.00 0.00 H new ATOM 760 N HIS A 50 -9.254 -5.293 2.316 1.00 0.00 N ATOM 761 CA HIS A 50 -10.380 -6.222 2.389 1.00 0.00 C ATOM 762 C HIS A 50 -10.004 -7.492 3.157 1.00 0.00 C ATOM 763 O HIS A 50 -9.028 -8.161 2.827 1.00 0.00 O ATOM 764 CB HIS A 50 -10.868 -6.552 0.970 1.00 0.00 C ATOM 765 CG HIS A 50 -11.996 -7.541 0.914 1.00 0.00 C ATOM 766 ND1 HIS A 50 -13.175 -7.396 1.617 1.00 0.00 N ATOM 767 CD2 HIS A 50 -12.107 -8.712 0.248 1.00 0.00 C ATOM 768 CE1 HIS A 50 -13.949 -8.439 1.391 1.00 0.00 C ATOM 769 NE2 HIS A 50 -13.328 -9.247 0.564 1.00 0.00 N ATOM 0 H HIS A 50 -9.067 -4.944 1.376 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.193 -5.746 2.938 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -11.186 -5.629 0.485 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.030 -6.943 0.393 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.370 -9.146 -0.411 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.929 -8.601 1.815 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.695 -10.131 0.213 1.00 0.00 H new ATOM 778 N PRO A 51 -10.790 -7.819 4.207 1.00 0.00 N ATOM 779 CA PRO A 51 -10.516 -8.938 5.132 1.00 0.00 C ATOM 780 C PRO A 51 -10.210 -10.273 4.453 1.00 0.00 C ATOM 781 O PRO A 51 -9.544 -11.127 5.040 1.00 0.00 O ATOM 782 CB PRO A 51 -11.811 -9.046 5.935 1.00 0.00 C ATOM 783 CG PRO A 51 -12.360 -7.666 5.942 1.00 0.00 C ATOM 784 CD PRO A 51 -12.007 -7.078 4.607 1.00 0.00 C ATOM 0 HA PRO A 51 -9.619 -8.737 5.718 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.506 -9.748 5.474 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.622 -9.403 6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.440 -7.676 6.092 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.931 -7.079 6.754 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.813 -7.212 3.885 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.818 -6.007 4.679 1.00 0.00 H new ATOM 792 N GLU A 52 -10.678 -10.460 3.223 1.00 0.00 N ATOM 793 CA GLU A 52 -10.459 -11.715 2.517 1.00 0.00 C ATOM 794 C GLU A 52 -9.119 -11.714 1.792 1.00 0.00 C ATOM 795 O GLU A 52 -8.690 -12.741 1.268 1.00 0.00 O ATOM 796 CB GLU A 52 -11.576 -11.976 1.515 1.00 0.00 C ATOM 797 CG GLU A 52 -12.935 -12.204 2.146 1.00 0.00 C ATOM 798 CD GLU A 52 -13.990 -12.521 1.112 1.00 0.00 C ATOM 799 OE1 GLU A 52 -14.417 -11.592 0.393 1.00 0.00 O ATOM 800 OE2 GLU A 52 -14.383 -13.697 0.996 1.00 0.00 O ATOM 0 H GLU A 52 -11.207 -9.763 2.699 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.454 -12.509 3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.642 -11.129 0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.315 -12.848 0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -12.870 -13.024 2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.230 -11.316 2.705 1.00 0.00 H new ATOM 807 N ASP A 53 -8.454 -10.566 1.765 1.00 0.00 N ATOM 808 CA ASP A 53 -7.195 -10.429 1.045 1.00 0.00 C ATOM 809 C ASP A 53 -6.048 -10.202 2.021 1.00 0.00 C ATOM 810 O ASP A 53 -4.918 -9.927 1.619 1.00 0.00 O ATOM 811 CB ASP A 53 -7.259 -9.269 0.044 1.00 0.00 C ATOM 812 CG ASP A 53 -8.344 -9.446 -1.000 1.00 0.00 C ATOM 813 OD1 ASP A 53 -8.190 -10.310 -1.887 1.00 0.00 O ATOM 814 OD2 ASP A 53 -9.358 -8.719 -0.937 1.00 0.00 O ATOM 0 H ASP A 53 -8.766 -9.716 2.234 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.021 -11.354 0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.432 -8.339 0.585 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.295 -9.173 -0.455 1.00 0.00 H new ATOM 819 N GLN A 54 -6.344 -10.332 3.311 1.00 0.00 N ATOM 820 CA GLN A 54 -5.339 -10.135 4.348 1.00 0.00 C ATOM 821 C GLN A 54 -4.316 -11.265 4.336 1.00 0.00 C ATOM 822 O GLN A 54 -3.146 -11.058 4.655 1.00 0.00 O ATOM 823 CB GLN A 54 -5.997 -10.023 5.726 1.00 0.00 C ATOM 824 CG GLN A 54 -6.698 -8.691 5.958 1.00 0.00 C ATOM 825 CD GLN A 54 -7.325 -8.587 7.339 1.00 0.00 C ATOM 826 OE1 GLN A 54 -6.870 -9.220 8.291 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.355 -7.763 7.465 1.00 0.00 N ATOM 0 H GLN A 54 -7.271 -10.573 3.662 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.818 -9.201 4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.720 -10.830 5.841 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.237 -10.164 6.495 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.981 -7.881 5.828 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.471 -8.556 5.202 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.704 -7.255 6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.799 -7.636 8.375 1.00 0.00 H new ATOM 836 N GLN A 55 -4.762 -12.454 3.952 1.00 0.00 N ATOM 837 CA GLN A 55 -3.881 -13.611 3.846 1.00 0.00 C ATOM 838 C GLN A 55 -2.862 -13.357 2.740 1.00 0.00 C ATOM 839 O GLN A 55 -1.663 -13.573 2.922 1.00 0.00 O ATOM 840 CB GLN A 55 -4.715 -14.861 3.550 1.00 0.00 C ATOM 841 CG GLN A 55 -4.079 -16.187 3.965 1.00 0.00 C ATOM 842 CD GLN A 55 -2.962 -16.648 3.045 1.00 0.00 C ATOM 843 OE1 GLN A 55 -3.209 -17.303 2.034 1.00 0.00 O ATOM 844 NE2 GLN A 55 -1.725 -16.351 3.410 1.00 0.00 N ATOM 0 H GLN A 55 -5.734 -12.643 3.707 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.348 -13.770 4.783 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.676 -14.764 4.056 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.920 -14.895 2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.686 -16.089 4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.851 -16.955 3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.560 -15.805 4.256 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.937 -16.668 2.846 1.00 0.00 H new ATOM 853 N LEU A 56 -3.358 -12.875 1.605 1.00 0.00 N ATOM 854 CA LEU A 56 -2.507 -12.450 0.497 1.00 0.00 C ATOM 855 C LEU A 56 -1.443 -11.480 0.976 1.00 0.00 C ATOM 856 O LEU A 56 -0.258 -11.657 0.705 1.00 0.00 O ATOM 857 CB LEU A 56 -3.350 -11.779 -0.586 1.00 0.00 C ATOM 858 CG LEU A 56 -4.097 -12.728 -1.511 1.00 0.00 C ATOM 859 CD1 LEU A 56 -5.279 -12.018 -2.143 1.00 0.00 C ATOM 860 CD2 LEU A 56 -3.162 -13.246 -2.588 1.00 0.00 C ATOM 0 H LEU A 56 -4.357 -12.768 1.427 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.020 -13.335 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.075 -11.122 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.699 -11.147 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.466 -13.572 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.807 -12.707 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.957 -11.673 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.924 -11.163 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.705 -13.925 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.777 -12.408 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.331 -13.778 -2.124 1.00 0.00 H new ATOM 872 N LEU A 57 -1.880 -10.460 1.697 1.00 0.00 N ATOM 873 CA LEU A 57 -0.981 -9.445 2.221 1.00 0.00 C ATOM 874 C LEU A 57 0.039 -10.052 3.164 1.00 0.00 C ATOM 875 O LEU A 57 1.210 -9.695 3.119 1.00 0.00 O ATOM 876 CB LEU A 57 -1.768 -8.361 2.937 1.00 0.00 C ATOM 877 CG LEU A 57 -2.719 -7.572 2.048 1.00 0.00 C ATOM 878 CD1 LEU A 57 -3.531 -6.617 2.892 1.00 0.00 C ATOM 879 CD2 LEU A 57 -1.945 -6.826 0.972 1.00 0.00 C ATOM 0 H LEU A 57 -2.861 -10.313 1.934 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.448 -9.003 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.342 -8.820 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.066 -7.668 3.400 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.400 -8.262 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.211 -6.054 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.107 -7.180 3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.862 -5.927 3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.640 -6.267 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.244 -6.136 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.396 -7.540 0.358 1.00 0.00 H new ATOM 891 N ARG A 58 -0.402 -10.974 4.012 1.00 0.00 N ATOM 892 CA ARG A 58 0.520 -11.677 4.892 1.00 0.00 C ATOM 893 C ARG A 58 1.610 -12.336 4.080 1.00 0.00 C ATOM 894 O ARG A 58 2.787 -12.020 4.222 1.00 0.00 O ATOM 895 CB ARG A 58 -0.184 -12.761 5.692 1.00 0.00 C ATOM 896 CG ARG A 58 -1.060 -12.268 6.817 1.00 0.00 C ATOM 897 CD ARG A 58 -1.588 -13.453 7.590 1.00 0.00 C ATOM 898 NE ARG A 58 -2.350 -13.076 8.773 1.00 0.00 N ATOM 899 CZ ARG A 58 -2.509 -13.870 9.826 1.00 0.00 C ATOM 900 NH1 ARG A 58 -1.889 -15.050 9.866 1.00 0.00 N ATOM 901 NH2 ARG A 58 -3.275 -13.481 10.836 1.00 0.00 N ATOM 0 H ARG A 58 -1.380 -11.249 4.108 1.00 0.00 H new ATOM 0 HA ARG A 58 0.936 -10.937 5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.795 -13.353 5.011 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.570 -13.430 6.107 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.491 -11.612 7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.887 -11.680 6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.220 -14.053 6.935 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.751 -14.084 7.891 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.784 -12.153 8.794 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.295 -15.340 9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.009 -15.662 10.673 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.740 -12.574 10.803 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.399 -14.089 11.646 1.00 0.00 H new ATOM 915 N ASP A 59 1.178 -13.233 3.205 1.00 0.00 N ATOM 916 CA ASP A 59 2.078 -14.069 2.432 1.00 0.00 C ATOM 917 C ASP A 59 3.028 -13.221 1.602 1.00 0.00 C ATOM 918 O ASP A 59 4.233 -13.434 1.616 1.00 0.00 O ATOM 919 CB ASP A 59 1.263 -14.994 1.525 1.00 0.00 C ATOM 920 CG ASP A 59 2.063 -16.169 1.007 1.00 0.00 C ATOM 921 OD1 ASP A 59 2.356 -17.084 1.812 1.00 0.00 O ATOM 922 OD2 ASP A 59 2.362 -16.207 -0.203 1.00 0.00 O ATOM 0 H ASP A 59 0.190 -13.400 3.013 1.00 0.00 H new ATOM 0 HA ASP A 59 2.676 -14.669 3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.399 -15.365 2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.881 -14.421 0.680 1.00 0.00 H new ATOM 927 N SER A 60 2.486 -12.224 0.933 1.00 0.00 N ATOM 928 CA SER A 60 3.263 -11.403 0.024 1.00 0.00 C ATOM 929 C SER A 60 4.273 -10.559 0.780 1.00 0.00 C ATOM 930 O SER A 60 5.464 -10.553 0.469 1.00 0.00 O ATOM 931 CB SER A 60 2.324 -10.508 -0.773 1.00 0.00 C ATOM 932 OG SER A 60 1.530 -9.709 0.083 1.00 0.00 O ATOM 0 H SER A 60 1.503 -11.961 1.002 1.00 0.00 H new ATOM 0 HA SER A 60 3.813 -12.055 -0.655 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.904 -9.868 -1.438 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.680 -11.122 -1.403 1.00 0.00 H new ATOM 0 HG SER A 60 0.797 -10.248 0.447 1.00 0.00 H new ATOM 938 N PHE A 61 3.787 -9.872 1.795 1.00 0.00 N ATOM 939 CA PHE A 61 4.611 -8.953 2.562 1.00 0.00 C ATOM 940 C PHE A 61 5.709 -9.694 3.307 1.00 0.00 C ATOM 941 O PHE A 61 6.838 -9.216 3.404 1.00 0.00 O ATOM 942 CB PHE A 61 3.761 -8.144 3.547 1.00 0.00 C ATOM 943 CG PHE A 61 2.952 -7.040 2.910 1.00 0.00 C ATOM 944 CD1 PHE A 61 3.168 -6.665 1.590 1.00 0.00 C ATOM 945 CD2 PHE A 61 1.976 -6.372 3.637 1.00 0.00 C ATOM 946 CE1 PHE A 61 2.428 -5.651 1.012 1.00 0.00 C ATOM 947 CE2 PHE A 61 1.233 -5.356 3.061 1.00 0.00 C ATOM 948 CZ PHE A 61 1.459 -4.997 1.749 1.00 0.00 C ATOM 0 H PHE A 61 2.819 -9.932 2.111 1.00 0.00 H new ATOM 0 HA PHE A 61 5.076 -8.264 1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.083 -8.822 4.066 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.416 -7.709 4.302 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.924 -7.172 1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.794 -6.649 4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.607 -5.370 -0.015 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.477 -4.845 3.639 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.879 -4.205 1.298 1.00 0.00 H new ATOM 958 N GLN A 62 5.395 -10.874 3.812 1.00 0.00 N ATOM 959 CA GLN A 62 6.362 -11.633 4.577 1.00 0.00 C ATOM 960 C GLN A 62 7.373 -12.297 3.649 1.00 0.00 C ATOM 961 O GLN A 62 8.535 -12.485 4.007 1.00 0.00 O ATOM 962 CB GLN A 62 5.659 -12.662 5.468 1.00 0.00 C ATOM 963 CG GLN A 62 5.046 -13.846 4.730 1.00 0.00 C ATOM 964 CD GLN A 62 4.378 -14.842 5.662 1.00 0.00 C ATOM 965 OE1 GLN A 62 3.425 -15.521 5.284 1.00 0.00 O ATOM 966 NE2 GLN A 62 4.863 -14.928 6.890 1.00 0.00 N ATOM 0 H GLN A 62 4.485 -11.323 3.706 1.00 0.00 H new ATOM 0 HA GLN A 62 6.906 -10.949 5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.377 -13.040 6.196 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.873 -12.157 6.029 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.312 -13.480 4.012 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.824 -14.354 4.160 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.655 -14.348 7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.445 -15.574 7.559 1.00 0.00 H new ATOM 975 N GLN A 63 6.941 -12.631 2.442 1.00 0.00 N ATOM 976 CA GLN A 63 7.835 -13.228 1.472 1.00 0.00 C ATOM 977 C GLN A 63 8.710 -12.176 0.816 1.00 0.00 C ATOM 978 O GLN A 63 9.835 -12.468 0.448 1.00 0.00 O ATOM 979 CB GLN A 63 7.069 -14.013 0.415 1.00 0.00 C ATOM 980 CG GLN A 63 6.379 -15.241 0.973 1.00 0.00 C ATOM 981 CD GLN A 63 5.703 -16.073 -0.093 1.00 0.00 C ATOM 982 OE1 GLN A 63 5.305 -15.565 -1.142 1.00 0.00 O ATOM 983 NE2 GLN A 63 5.552 -17.357 0.178 1.00 0.00 N ATOM 0 H GLN A 63 5.984 -12.499 2.116 1.00 0.00 H new ATOM 0 HA GLN A 63 8.477 -13.925 2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.325 -13.362 -0.044 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.757 -14.317 -0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.111 -15.856 1.497 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.637 -14.931 1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.897 -17.736 1.060 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.090 -17.969 -0.495 1.00 0.00 H new ATOM 992 N VAL A 64 8.210 -10.951 0.678 1.00 0.00 N ATOM 993 CA VAL A 64 9.032 -9.881 0.124 1.00 0.00 C ATOM 994 C VAL A 64 10.086 -9.444 1.141 1.00 0.00 C ATOM 995 O VAL A 64 11.130 -8.904 0.775 1.00 0.00 O ATOM 996 CB VAL A 64 8.206 -8.662 -0.361 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.635 -7.864 0.798 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.053 -7.771 -1.255 1.00 0.00 C ATOM 0 H VAL A 64 7.261 -10.679 0.936 1.00 0.00 H new ATOM 0 HA VAL A 64 9.523 -10.289 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 64 7.364 -9.046 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.064 -7.020 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.982 -8.503 1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.449 -7.496 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.459 -6.920 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.919 -7.414 -0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.389 -8.340 -2.122 1.00 0.00 H new ATOM 1008 N VAL A 65 9.814 -9.689 2.422 1.00 0.00 N ATOM 1009 CA VAL A 65 10.826 -9.497 3.458 1.00 0.00 C ATOM 1010 C VAL A 65 11.907 -10.564 3.312 1.00 0.00 C ATOM 1011 O VAL A 65 13.078 -10.323 3.574 1.00 0.00 O ATOM 1012 CB VAL A 65 10.221 -9.549 4.883 1.00 0.00 C ATOM 1013 CG1 VAL A 65 11.314 -9.482 5.945 1.00 0.00 C ATOM 1014 CG2 VAL A 65 9.230 -8.412 5.087 1.00 0.00 C ATOM 0 H VAL A 65 8.911 -10.017 2.764 1.00 0.00 H new ATOM 0 HA VAL A 65 11.257 -8.504 3.326 1.00 0.00 H new ATOM 0 HB VAL A 65 9.696 -10.499 4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.861 -9.520 6.936 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.992 -10.327 5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.871 -8.551 5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.816 -8.466 6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.739 -7.457 4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.424 -8.497 4.358 1.00 0.00 H new ATOM 1024 N LYS A 66 11.492 -11.747 2.887 1.00 0.00 N ATOM 1025 CA LYS A 66 12.425 -12.825 2.579 1.00 0.00 C ATOM 1026 C LYS A 66 13.122 -12.596 1.232 1.00 0.00 C ATOM 1027 O LYS A 66 14.281 -12.972 1.043 1.00 0.00 O ATOM 1028 CB LYS A 66 11.680 -14.157 2.566 1.00 0.00 C ATOM 1029 CG LYS A 66 11.143 -14.556 3.929 1.00 0.00 C ATOM 1030 CD LYS A 66 10.174 -15.722 3.832 1.00 0.00 C ATOM 1031 CE LYS A 66 9.784 -16.226 5.211 1.00 0.00 C ATOM 1032 NZ LYS A 66 9.004 -15.215 5.972 1.00 0.00 N ATOM 0 H LYS A 66 10.511 -11.988 2.746 1.00 0.00 H new ATOM 0 HA LYS A 66 13.194 -12.843 3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.852 -14.096 1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.350 -14.937 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.973 -14.826 4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.641 -13.703 4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.281 -15.412 3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.630 -16.531 3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.196 -17.138 5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.683 -16.486 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.096 -15.627 6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.542 -14.923 6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.828 -14.386 5.369 1.00 0.00 H new ATOM 1046 N LEU A 67 12.407 -11.970 0.304 1.00 0.00 N ATOM 1047 CA LEU A 67 12.912 -11.714 -1.044 1.00 0.00 C ATOM 1048 C LEU A 67 13.601 -10.361 -1.141 1.00 0.00 C ATOM 1049 O LEU A 67 13.561 -9.728 -2.191 1.00 0.00 O ATOM 1050 CB LEU A 67 11.782 -11.786 -2.079 1.00 0.00 C ATOM 1051 CG LEU A 67 11.129 -13.160 -2.239 1.00 0.00 C ATOM 1052 CD1 LEU A 67 10.152 -13.144 -3.400 1.00 0.00 C ATOM 1053 CD2 LEU A 67 12.182 -14.239 -2.445 1.00 0.00 C ATOM 0 H LEU A 67 11.460 -11.625 0.463 1.00 0.00 H new ATOM 0 HA LEU A 67 13.645 -12.492 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.012 -11.066 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.177 -11.475 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 67 10.583 -13.390 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.694 -14.128 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.377 -12.401 -3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.682 -12.892 -4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.694 -15.207 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.759 -14.018 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.849 -14.266 -1.583 1.00 0.00 H new ATOM 1065 N LYS A 68 14.193 -9.918 -0.033 1.00 0.00 N ATOM 1066 CA LYS A 68 14.885 -8.625 0.054 1.00 0.00 C ATOM 1067 C LYS A 68 15.527 -8.188 -1.259 1.00 0.00 C ATOM 1068 O LYS A 68 16.435 -8.843 -1.782 1.00 0.00 O ATOM 1069 CB LYS A 68 15.958 -8.690 1.131 1.00 0.00 C ATOM 1070 CG LYS A 68 15.394 -8.895 2.513 1.00 0.00 C ATOM 1071 CD LYS A 68 16.484 -9.073 3.547 1.00 0.00 C ATOM 1072 CE LYS A 68 15.881 -9.307 4.915 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.918 -9.517 5.955 1.00 0.00 N ATOM 0 H LYS A 68 14.208 -10.448 0.839 1.00 0.00 H new ATOM 0 HA LYS A 68 14.124 -7.885 0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.647 -9.503 0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.538 -7.767 1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.774 -8.040 2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.746 -9.771 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.119 -9.916 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.120 -8.188 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.262 -8.452 5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.225 -10.177 4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.493 -9.403 6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.310 -10.476 5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.679 -8.819 5.832 1.00 0.00 H new ATOM 1087 N GLY A 69 15.020 -7.089 -1.795 1.00 0.00 N ATOM 1088 CA GLY A 69 15.569 -6.515 -3.007 1.00 0.00 C ATOM 1089 C GLY A 69 14.733 -6.837 -4.226 1.00 0.00 C ATOM 1090 O GLY A 69 14.875 -6.203 -5.273 1.00 0.00 O ATOM 0 H GLY A 69 14.227 -6.578 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.640 -5.433 -2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.583 -6.887 -3.156 1.00 0.00 H new ATOM 1094 N GLN A 70 13.866 -7.825 -4.094 1.00 0.00 N ATOM 1095 CA GLN A 70 12.999 -8.241 -5.181 1.00 0.00 C ATOM 1096 C GLN A 70 11.614 -7.644 -4.999 1.00 0.00 C ATOM 1097 O GLN A 70 11.085 -7.609 -3.890 1.00 0.00 O ATOM 1098 CB GLN A 70 12.904 -9.764 -5.218 1.00 0.00 C ATOM 1099 CG GLN A 70 14.223 -10.452 -5.494 1.00 0.00 C ATOM 1100 CD GLN A 70 14.157 -11.947 -5.253 1.00 0.00 C ATOM 1101 OE1 GLN A 70 14.453 -12.421 -4.156 1.00 0.00 O ATOM 1102 NE2 GLN A 70 13.763 -12.697 -6.269 1.00 0.00 N ATOM 0 H GLN A 70 13.744 -8.359 -3.234 1.00 0.00 H new ATOM 0 HA GLN A 70 13.419 -7.886 -6.122 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.513 -10.118 -4.264 1.00 0.00 H new ATOM 0 HB3 GLN A 70 12.186 -10.055 -5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.517 -10.266 -6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 70 14.996 -10.018 -4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.527 -12.263 -7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.695 -13.709 -6.160 1.00 0.00 H new ATOM 1111 N VAL A 71 11.037 -7.164 -6.087 1.00 0.00 N ATOM 1112 CA VAL A 71 9.699 -6.606 -6.046 1.00 0.00 C ATOM 1113 C VAL A 71 8.665 -7.721 -6.162 1.00 0.00 C ATOM 1114 O VAL A 71 8.731 -8.549 -7.075 1.00 0.00 O ATOM 1115 CB VAL A 71 9.480 -5.576 -7.171 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.113 -4.924 -7.044 1.00 0.00 C ATOM 1117 CG2 VAL A 71 10.578 -4.524 -7.155 1.00 0.00 C ATOM 0 H VAL A 71 11.475 -7.150 -7.008 1.00 0.00 H new ATOM 0 HA VAL A 71 9.582 -6.094 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 71 9.521 -6.100 -8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.979 -4.200 -7.848 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.338 -5.688 -7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.040 -4.416 -6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.406 -3.806 -7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.571 -4.006 -6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.545 -5.005 -7.301 1.00 0.00 H new ATOM 1127 N LEU A 72 7.721 -7.743 -5.232 1.00 0.00 N ATOM 1128 CA LEU A 72 6.710 -8.793 -5.197 1.00 0.00 C ATOM 1129 C LEU A 72 5.329 -8.199 -5.460 1.00 0.00 C ATOM 1130 O LEU A 72 4.890 -7.306 -4.746 1.00 0.00 O ATOM 1131 CB LEU A 72 6.728 -9.504 -3.841 1.00 0.00 C ATOM 1132 CG LEU A 72 6.269 -10.960 -3.878 1.00 0.00 C ATOM 1133 CD1 LEU A 72 7.229 -11.787 -4.715 1.00 0.00 C ATOM 1134 CD2 LEU A 72 6.167 -11.526 -2.471 1.00 0.00 C ATOM 0 H LEU A 72 7.633 -7.047 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 72 6.936 -9.522 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.741 -9.467 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.091 -8.954 -3.149 1.00 0.00 H new ATOM 0 HG LEU A 72 5.280 -11.002 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.893 -12.824 -4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.257 -11.394 -5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.227 -11.737 -4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.839 -12.564 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.142 -11.476 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.447 -10.944 -1.896 1.00 0.00 H new ATOM 1146 N SER A 73 4.650 -8.700 -6.476 1.00 0.00 N ATOM 1147 CA SER A 73 3.371 -8.140 -6.890 1.00 0.00 C ATOM 1148 C SER A 73 2.210 -8.912 -6.272 1.00 0.00 C ATOM 1149 O SER A 73 2.086 -10.126 -6.458 1.00 0.00 O ATOM 1150 CB SER A 73 3.277 -8.170 -8.418 1.00 0.00 C ATOM 1151 OG SER A 73 2.168 -7.430 -8.887 1.00 0.00 O ATOM 0 H SER A 73 4.962 -9.496 -7.033 1.00 0.00 H new ATOM 0 HA SER A 73 3.308 -7.109 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.193 -7.764 -8.847 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.196 -9.203 -8.758 1.00 0.00 H new ATOM 0 HG SER A 73 2.139 -7.469 -9.866 1.00 0.00 H new ATOM 1157 N VAL A 74 1.366 -8.206 -5.532 1.00 0.00 N ATOM 1158 CA VAL A 74 0.191 -8.806 -4.920 1.00 0.00 C ATOM 1159 C VAL A 74 -1.028 -7.953 -5.175 1.00 0.00 C ATOM 1160 O VAL A 74 -0.987 -6.726 -5.096 1.00 0.00 O ATOM 1161 CB VAL A 74 0.383 -9.037 -3.401 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.636 -7.723 -2.672 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.812 -9.768 -2.803 1.00 0.00 C ATOM 0 H VAL A 74 1.476 -7.210 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 74 0.044 -9.783 -5.381 1.00 0.00 H new ATOM 0 HB VAL A 74 1.263 -9.667 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.767 -7.917 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.536 -7.254 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.214 -7.057 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.650 -9.917 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.714 -9.175 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.928 -10.736 -3.291 1.00 0.00 H new ATOM 1173 N MET A 75 -2.104 -8.621 -5.510 1.00 0.00 N ATOM 1174 CA MET A 75 -3.313 -7.951 -5.893 1.00 0.00 C ATOM 1175 C MET A 75 -4.394 -8.146 -4.832 1.00 0.00 C ATOM 1176 O MET A 75 -4.665 -9.266 -4.401 1.00 0.00 O ATOM 1177 CB MET A 75 -3.768 -8.469 -7.251 1.00 0.00 C ATOM 1178 CG MET A 75 -4.829 -7.603 -7.868 1.00 0.00 C ATOM 1179 SD MET A 75 -5.363 -8.182 -9.491 1.00 0.00 S ATOM 1180 CE MET A 75 -6.537 -6.904 -9.933 1.00 0.00 C ATOM 0 H MET A 75 -2.163 -9.639 -5.524 1.00 0.00 H new ATOM 0 HA MET A 75 -3.126 -6.880 -5.973 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.911 -8.523 -7.922 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.150 -9.484 -7.140 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.691 -7.564 -7.201 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.451 -6.585 -7.959 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.823 -7.019 -10.979 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.422 -6.990 -9.303 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.081 -5.925 -9.787 1.00 0.00 H new ATOM 1190 N PHE A 76 -5.002 -7.043 -4.423 1.00 0.00 N ATOM 1191 CA PHE A 76 -5.978 -7.043 -3.338 1.00 0.00 C ATOM 1192 C PHE A 76 -6.939 -5.865 -3.508 1.00 0.00 C ATOM 1193 O PHE A 76 -6.807 -5.086 -4.456 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.269 -6.957 -1.981 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.481 -5.693 -1.775 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.235 -5.537 -2.357 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -4.988 -4.661 -0.999 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -2.509 -4.380 -2.168 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.264 -3.501 -0.809 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.024 -3.360 -1.392 1.00 0.00 C ATOM 0 H PHE A 76 -4.835 -6.123 -4.831 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.544 -7.974 -3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.013 -7.041 -1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.598 -7.810 -1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.827 -6.330 -2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.959 -4.766 -0.539 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.537 -4.271 -2.627 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.670 -2.704 -0.203 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.456 -2.454 -1.243 1.00 0.00 H new ATOM 1210 N ARG A 77 -7.908 -5.734 -2.609 1.00 0.00 N ATOM 1211 CA ARG A 77 -8.851 -4.625 -2.681 1.00 0.00 C ATOM 1212 C ARG A 77 -8.645 -3.651 -1.528 1.00 0.00 C ATOM 1213 O ARG A 77 -8.591 -4.047 -0.360 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.296 -5.122 -2.713 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.645 -5.840 -4.005 1.00 0.00 C ATOM 1216 CD ARG A 77 -12.146 -5.928 -4.222 1.00 0.00 C ATOM 1217 NE ARG A 77 -12.802 -6.814 -3.270 1.00 0.00 N ATOM 1218 CZ ARG A 77 -14.032 -6.616 -2.809 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -14.687 -5.504 -3.107 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -14.608 -7.526 -2.038 1.00 0.00 N ATOM 0 H ARG A 77 -8.060 -6.374 -1.830 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.657 -4.095 -3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.462 -5.796 -1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.969 -4.275 -2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.188 -5.317 -4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.222 -6.844 -3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.579 -4.931 -4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.342 -6.281 -5.235 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.289 -7.631 -2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -14.247 -4.795 -3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.631 -5.357 -2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.107 -8.381 -1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.553 -7.372 -1.685 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.548 -2.374 -1.877 1.00 0.00 N ATOM 1235 CA PHE A 78 -8.237 -1.314 -0.925 1.00 0.00 C ATOM 1236 C PHE A 78 -9.495 -0.507 -0.630 1.00 0.00 C ATOM 1237 O PHE A 78 -10.349 -0.340 -1.505 1.00 0.00 O ATOM 1238 CB PHE A 78 -7.171 -0.400 -1.534 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.330 0.360 -0.543 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -5.165 -0.199 -0.044 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -6.679 1.641 -0.143 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.364 0.504 0.835 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -5.884 2.344 0.741 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.724 1.776 1.229 1.00 0.00 C ATOM 0 H PHE A 78 -8.683 -2.043 -2.832 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.866 -1.747 0.004 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.511 -1.004 -2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.663 0.316 -2.192 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.880 -1.196 -0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -7.581 2.094 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.456 0.058 1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.170 3.338 1.051 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.100 2.326 1.918 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.614 -0.017 0.595 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.776 0.766 0.978 1.00 0.00 C ATOM 1256 C ARG A 79 -10.627 2.217 0.532 1.00 0.00 C ATOM 1257 O ARG A 79 -9.882 2.987 1.125 1.00 0.00 O ATOM 1258 CB ARG A 79 -11.000 0.725 2.489 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.439 1.031 2.882 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.558 1.469 4.330 1.00 0.00 C ATOM 1261 NE ARG A 79 -11.922 0.535 5.265 1.00 0.00 N ATOM 1262 CZ ARG A 79 -11.882 0.718 6.591 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -12.472 1.773 7.139 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -11.258 -0.157 7.370 1.00 0.00 N ATOM 0 H ARG A 79 -8.925 -0.147 1.335 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.639 0.323 0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.728 -0.261 2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.336 1.444 2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.832 1.814 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.054 0.146 2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.105 2.454 4.444 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.612 1.571 4.588 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.484 -0.303 4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.959 2.449 6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.439 1.908 8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.806 -0.974 6.959 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.231 -0.013 8.379 1.00 0.00 H new ATOM 1278 N SER A 80 -11.315 2.560 -0.538 1.00 0.00 N ATOM 1279 CA SER A 80 -11.437 3.936 -0.990 1.00 0.00 C ATOM 1280 C SER A 80 -12.019 4.829 0.113 1.00 0.00 C ATOM 1281 O SER A 80 -12.586 4.342 1.099 1.00 0.00 O ATOM 1282 CB SER A 80 -12.350 3.969 -2.218 1.00 0.00 C ATOM 1283 OG SER A 80 -12.586 5.294 -2.669 1.00 0.00 O ATOM 0 H SER A 80 -11.810 1.888 -1.125 1.00 0.00 H new ATOM 0 HA SER A 80 -10.447 4.317 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.898 3.387 -3.022 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.301 3.494 -1.976 1.00 0.00 H new ATOM 0 HG SER A 80 -11.736 5.778 -2.721 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.904 6.140 -0.079 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.416 7.128 0.869 1.00 0.00 C ATOM 1291 C LYS A 81 -13.941 7.104 0.902 1.00 0.00 C ATOM 1292 O LYS A 81 -14.568 7.734 1.755 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.924 8.519 0.468 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.054 9.578 1.556 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.329 9.171 2.828 1.00 0.00 C ATOM 1296 CE LYS A 81 -10.923 10.376 3.665 1.00 0.00 C ATOM 1297 NZ LYS A 81 -12.078 11.233 4.046 1.00 0.00 N ATOM 0 H LYS A 81 -11.453 6.549 -0.897 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.049 6.883 1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.877 8.448 0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.482 8.848 -0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.650 10.523 1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.108 9.746 1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.973 8.520 3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.441 8.593 2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.419 10.031 4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.202 10.974 3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.754 11.988 4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.494 11.655 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.794 10.655 4.530 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.534 6.366 -0.028 1.00 0.00 N ATOM 1312 CA ASN A 82 -15.982 6.222 -0.095 1.00 0.00 C ATOM 1313 C ASN A 82 -16.400 4.907 0.554 1.00 0.00 C ATOM 1314 O ASN A 82 -17.563 4.510 0.491 1.00 0.00 O ATOM 1315 CB ASN A 82 -16.467 6.251 -1.548 1.00 0.00 C ATOM 1316 CG ASN A 82 -16.007 7.483 -2.302 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -16.637 8.539 -2.234 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.924 7.349 -3.056 1.00 0.00 N ATOM 0 H ASN A 82 -14.029 5.854 -0.752 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.434 7.057 0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.106 5.361 -2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -17.556 6.209 -1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.585 8.138 -3.607 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.430 6.457 -3.085 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.423 4.237 1.167 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.637 2.964 1.862 1.00 0.00 C ATOM 1327 C GLN A 83 -15.967 1.846 0.881 1.00 0.00 C ATOM 1328 O GLN A 83 -16.518 0.812 1.259 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.725 3.083 2.940 1.00 0.00 C ATOM 1330 CG GLN A 83 -16.280 3.832 4.191 1.00 0.00 C ATOM 1331 CD GLN A 83 -15.952 5.292 3.934 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -16.827 6.151 3.980 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -14.684 5.586 3.684 1.00 0.00 N ATOM 0 H GLN A 83 -14.457 4.562 1.196 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.702 2.710 2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.590 3.591 2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -17.051 2.083 3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.068 3.771 4.942 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.403 3.338 4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.985 4.844 3.654 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.407 6.554 3.522 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.624 2.062 -0.382 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.758 1.043 -1.404 1.00 0.00 C ATOM 1344 C GLU A 84 -14.425 0.329 -1.576 1.00 0.00 C ATOM 1345 O GLU A 84 -13.377 0.898 -1.271 1.00 0.00 O ATOM 1346 CB GLU A 84 -16.223 1.680 -2.712 1.00 0.00 C ATOM 1347 CG GLU A 84 -15.328 2.805 -3.196 1.00 0.00 C ATOM 1348 CD GLU A 84 -15.857 3.482 -4.442 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -15.725 2.904 -5.536 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -16.398 4.600 -4.326 1.00 0.00 O ATOM 0 H GLU A 84 -15.247 2.947 -0.722 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.507 0.309 -1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.273 0.911 -3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.234 2.064 -2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.222 3.545 -2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.332 2.410 -3.398 1.00 0.00 H new ATOM 1357 N TRP A 85 -14.448 -0.905 -2.054 1.00 0.00 N ATOM 1358 CA TRP A 85 -13.247 -1.717 -2.093 1.00 0.00 C ATOM 1359 C TRP A 85 -12.867 -2.041 -3.533 1.00 0.00 C ATOM 1360 O TRP A 85 -13.404 -2.971 -4.136 1.00 0.00 O ATOM 1361 CB TRP A 85 -13.470 -2.997 -1.290 1.00 0.00 C ATOM 1362 CG TRP A 85 -13.827 -2.740 0.145 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -15.072 -2.483 0.648 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -12.933 -2.716 1.263 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -15.001 -2.292 2.006 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -13.704 -2.437 2.408 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -11.560 -2.903 1.409 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -13.145 -2.343 3.680 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -11.008 -2.807 2.672 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -11.797 -2.533 3.791 1.00 0.00 C ATOM 0 H TRP A 85 -15.283 -1.363 -2.419 1.00 0.00 H new ATOM 0 HA TRP A 85 -12.423 -1.159 -1.647 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.266 -3.577 -1.757 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -12.566 -3.605 -1.330 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -15.979 -2.437 0.063 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -15.790 -2.077 2.616 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -10.939 -3.119 0.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -13.754 -2.128 4.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -9.944 -2.947 2.796 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -11.332 -2.470 4.764 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.934 -1.270 -4.066 1.00 0.00 N ATOM 1382 CA LEU A 86 -11.534 -1.380 -5.464 1.00 0.00 C ATOM 1383 C LEU A 86 -10.277 -2.229 -5.626 1.00 0.00 C ATOM 1384 O LEU A 86 -9.588 -2.528 -4.654 1.00 0.00 O ATOM 1385 CB LEU A 86 -11.321 0.020 -6.047 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.707 1.051 -5.090 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.202 0.868 -4.975 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -11.047 2.461 -5.543 1.00 0.00 C ATOM 0 H LEU A 86 -11.432 -0.551 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.332 -1.882 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.677 -0.065 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.282 0.400 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.135 0.892 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.796 1.613 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.985 -0.130 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.745 0.990 -5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.605 3.181 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.651 2.627 -6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.129 2.588 -5.555 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.976 -2.591 -6.867 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.864 -3.492 -7.163 1.00 0.00 C ATOM 1402 C TRP A 87 -7.567 -2.736 -7.381 1.00 0.00 C ATOM 1403 O TRP A 87 -7.484 -1.862 -8.243 1.00 0.00 O ATOM 1404 CB TRP A 87 -9.151 -4.327 -8.413 1.00 0.00 C ATOM 1405 CG TRP A 87 -10.034 -5.508 -8.175 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -11.286 -5.708 -8.672 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.725 -6.660 -7.385 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -11.782 -6.912 -8.233 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -10.839 -7.515 -7.441 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.612 -7.049 -6.635 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -10.873 -8.736 -6.774 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -8.647 -8.260 -5.974 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -9.770 -9.091 -6.047 1.00 0.00 C ATOM 0 H TRP A 87 -10.488 -2.274 -7.690 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.757 -4.143 -6.296 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.614 -3.687 -9.164 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.205 -4.674 -8.829 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.812 -5.020 -9.317 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.700 -7.294 -8.459 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.741 -6.414 -6.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -11.739 -9.380 -6.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -7.793 -8.571 -5.391 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -9.766 -10.033 -5.518 1.00 0.00 H new ATOM 1424 N MET A 88 -6.555 -3.082 -6.606 1.00 0.00 N ATOM 1425 CA MET A 88 -5.222 -2.565 -6.843 1.00 0.00 C ATOM 1426 C MET A 88 -4.195 -3.671 -6.696 1.00 0.00 C ATOM 1427 O MET A 88 -4.402 -4.634 -5.957 1.00 0.00 O ATOM 1428 CB MET A 88 -4.881 -1.410 -5.899 1.00 0.00 C ATOM 1429 CG MET A 88 -4.822 -1.794 -4.431 1.00 0.00 C ATOM 1430 SD MET A 88 -3.991 -0.542 -3.433 1.00 0.00 S ATOM 1431 CE MET A 88 -4.810 0.946 -3.992 1.00 0.00 C ATOM 0 H MET A 88 -6.631 -3.716 -5.811 1.00 0.00 H new ATOM 0 HA MET A 88 -5.199 -2.180 -7.863 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.918 -0.991 -6.191 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.623 -0.622 -6.026 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.834 -1.943 -4.055 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.300 -2.745 -4.327 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.634 1.749 -3.276 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.415 1.235 -4.966 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.881 0.762 -4.075 1.00 0.00 H new ATOM 1441 N ARG A 89 -3.109 -3.537 -7.423 1.00 0.00 N ATOM 1442 CA ARG A 89 -2.015 -4.477 -7.339 1.00 0.00 C ATOM 1443 C ARG A 89 -0.773 -3.742 -6.864 1.00 0.00 C ATOM 1444 O ARG A 89 -0.266 -2.849 -7.544 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.775 -5.140 -8.694 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.877 -6.362 -8.629 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.724 -7.004 -9.998 1.00 0.00 C ATOM 1448 NE ARG A 89 -2.003 -7.464 -10.540 1.00 0.00 N ATOM 1449 CZ ARG A 89 -2.399 -7.240 -11.792 1.00 0.00 C ATOM 1450 NH1 ARG A 89 -1.655 -6.506 -12.606 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -3.551 -7.736 -12.228 1.00 0.00 N ATOM 0 H ARG A 89 -2.960 -2.777 -8.086 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.260 -5.265 -6.627 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.735 -5.429 -9.122 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.331 -4.410 -9.371 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.103 -6.077 -8.247 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.294 -7.086 -7.929 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.277 -6.286 -10.686 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.037 -7.847 -9.927 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.627 -7.986 -9.924 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.775 -6.110 -12.275 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.962 -6.337 -13.564 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.136 -8.291 -11.604 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.851 -7.562 -13.187 1.00 0.00 H new ATOM 1465 N THR A 90 -0.315 -4.097 -5.682 1.00 0.00 N ATOM 1466 CA THR A 90 0.801 -3.419 -5.058 1.00 0.00 C ATOM 1467 C THR A 90 2.117 -4.129 -5.337 1.00 0.00 C ATOM 1468 O THR A 90 2.214 -5.356 -5.259 1.00 0.00 O ATOM 1469 CB THR A 90 0.578 -3.295 -3.536 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.517 -2.410 -3.286 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.821 -2.781 -2.820 1.00 0.00 C ATOM 0 H THR A 90 -0.704 -4.861 -5.129 1.00 0.00 H new ATOM 0 HA THR A 90 0.860 -2.421 -5.492 1.00 0.00 H new ATOM 0 HB THR A 90 0.357 -4.289 -3.148 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.111 -2.806 -2.614 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.621 -2.708 -1.751 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.649 -3.470 -2.989 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.083 -1.797 -3.208 1.00 0.00 H new ATOM 1479 N SER A 91 3.116 -3.340 -5.687 1.00 0.00 N ATOM 1480 CA SER A 91 4.460 -3.834 -5.865 1.00 0.00 C ATOM 1481 C SER A 91 5.222 -3.683 -4.552 1.00 0.00 C ATOM 1482 O SER A 91 5.409 -2.568 -4.059 1.00 0.00 O ATOM 1483 CB SER A 91 5.147 -3.055 -6.987 1.00 0.00 C ATOM 1484 OG SER A 91 4.330 -3.028 -8.148 1.00 0.00 O ATOM 0 H SER A 91 3.014 -2.339 -5.855 1.00 0.00 H new ATOM 0 HA SER A 91 4.441 -4.888 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.353 -2.037 -6.657 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.107 -3.515 -7.222 1.00 0.00 H new ATOM 0 HG SER A 91 4.784 -2.524 -8.856 1.00 0.00 H new ATOM 1490 N SER A 92 5.632 -4.804 -3.982 1.00 0.00 N ATOM 1491 CA SER A 92 6.264 -4.811 -2.674 1.00 0.00 C ATOM 1492 C SER A 92 7.775 -4.749 -2.814 1.00 0.00 C ATOM 1493 O SER A 92 8.364 -5.496 -3.591 1.00 0.00 O ATOM 1494 CB SER A 92 5.876 -6.080 -1.911 1.00 0.00 C ATOM 1495 OG SER A 92 4.482 -6.319 -2.000 1.00 0.00 O ATOM 0 H SER A 92 5.537 -5.726 -4.408 1.00 0.00 H new ATOM 0 HA SER A 92 5.922 -3.936 -2.122 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.421 -6.933 -2.315 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.166 -5.983 -0.865 1.00 0.00 H new ATOM 0 HG SER A 92 4.269 -6.686 -2.883 1.00 0.00 H new ATOM 1501 N PHE A 93 8.388 -3.845 -2.072 1.00 0.00 N ATOM 1502 CA PHE A 93 9.834 -3.766 -2.003 1.00 0.00 C ATOM 1503 C PHE A 93 10.266 -3.585 -0.557 1.00 0.00 C ATOM 1504 O PHE A 93 9.677 -2.801 0.179 1.00 0.00 O ATOM 1505 CB PHE A 93 10.354 -2.609 -2.868 1.00 0.00 C ATOM 1506 CG PHE A 93 11.829 -2.334 -2.707 1.00 0.00 C ATOM 1507 CD1 PHE A 93 12.284 -1.452 -1.734 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.758 -2.959 -3.523 1.00 0.00 C ATOM 1509 CE1 PHE A 93 13.634 -1.203 -1.579 1.00 0.00 C ATOM 1510 CE2 PHE A 93 14.111 -2.711 -3.372 1.00 0.00 C ATOM 1511 CZ PHE A 93 14.547 -1.833 -2.399 1.00 0.00 C ATOM 0 H PHE A 93 7.902 -3.151 -1.505 1.00 0.00 H new ATOM 0 HA PHE A 93 10.258 -4.693 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.149 -2.832 -3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.798 -1.705 -2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.573 -0.955 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.423 -3.647 -4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 93 13.974 -0.517 -0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.826 -3.204 -4.015 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.603 -1.640 -2.280 1.00 0.00 H new ATOM 1521 N THR A 94 11.276 -4.323 -0.151 1.00 0.00 N ATOM 1522 CA THR A 94 11.826 -4.188 1.181 1.00 0.00 C ATOM 1523 C THR A 94 13.159 -3.447 1.135 1.00 0.00 C ATOM 1524 O THR A 94 14.136 -3.945 0.573 1.00 0.00 O ATOM 1525 CB THR A 94 12.001 -5.570 1.828 1.00 0.00 C ATOM 1526 OG1 THR A 94 12.459 -6.515 0.845 1.00 0.00 O ATOM 1527 CG2 THR A 94 10.691 -6.045 2.438 1.00 0.00 C ATOM 0 H THR A 94 11.736 -5.027 -0.728 1.00 0.00 H new ATOM 0 HA THR A 94 11.130 -3.607 1.787 1.00 0.00 H new ATOM 0 HB THR A 94 12.743 -5.492 2.623 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.933 -7.339 0.913 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.835 -7.026 2.891 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.367 -5.337 3.201 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.931 -6.113 1.660 1.00 0.00 H new ATOM 1535 N PHE A 95 13.191 -2.245 1.702 1.00 0.00 N ATOM 1536 CA PHE A 95 14.389 -1.417 1.653 1.00 0.00 C ATOM 1537 C PHE A 95 15.426 -1.955 2.628 1.00 0.00 C ATOM 1538 O PHE A 95 15.143 -2.134 3.818 1.00 0.00 O ATOM 1539 CB PHE A 95 14.061 0.044 1.965 1.00 0.00 C ATOM 1540 CG PHE A 95 15.049 1.018 1.386 1.00 0.00 C ATOM 1541 CD1 PHE A 95 16.243 1.289 2.029 1.00 0.00 C ATOM 1542 CD2 PHE A 95 14.782 1.657 0.187 1.00 0.00 C ATOM 1543 CE1 PHE A 95 17.152 2.180 1.492 1.00 0.00 C ATOM 1544 CE2 PHE A 95 15.685 2.550 -0.356 1.00 0.00 C ATOM 1545 CZ PHE A 95 16.872 2.812 0.297 1.00 0.00 C ATOM 0 H PHE A 95 12.405 -1.825 2.198 1.00 0.00 H new ATOM 0 HA PHE A 95 14.797 -1.455 0.643 1.00 0.00 H new ATOM 0 HB2 PHE A 95 13.067 0.275 1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 95 14.023 0.177 3.046 1.00 0.00 H new ATOM 0 HD1 PHE A 95 16.468 0.797 2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 95 13.856 1.455 -0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 95 18.080 2.382 2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 95 15.462 3.043 -1.291 1.00 0.00 H new ATOM 0 HZ PHE A 95 17.580 3.510 -0.126 1.00 0.00 H new ATOM 1555 N GLN A 96 16.619 -2.207 2.120 1.00 0.00 N ATOM 1556 CA GLN A 96 17.649 -2.880 2.887 1.00 0.00 C ATOM 1557 C GLN A 96 18.680 -1.909 3.435 1.00 0.00 C ATOM 1558 O GLN A 96 19.112 -0.980 2.752 1.00 0.00 O ATOM 1559 CB GLN A 96 18.356 -3.918 2.021 1.00 0.00 C ATOM 1560 CG GLN A 96 17.443 -5.016 1.512 1.00 0.00 C ATOM 1561 CD GLN A 96 18.174 -6.006 0.627 1.00 0.00 C ATOM 1562 OE1 GLN A 96 18.237 -5.848 -0.594 1.00 0.00 O ATOM 1563 NE2 GLN A 96 18.742 -7.029 1.243 1.00 0.00 N ATOM 0 H GLN A 96 16.899 -1.953 1.173 1.00 0.00 H new ATOM 0 HA GLN A 96 17.155 -3.364 3.729 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.814 -3.415 1.169 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.164 -4.369 2.597 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.005 -5.544 2.359 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.620 -4.571 0.953 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.665 -7.121 2.256 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.257 -7.726 0.705 1.00 0.00 H new ATOM 1572 N ASN A 97 19.052 -2.141 4.683 1.00 0.00 N ATOM 1573 CA ASN A 97 20.204 -1.500 5.288 1.00 0.00 C ATOM 1574 C ASN A 97 21.461 -2.111 4.682 1.00 0.00 C ATOM 1575 O ASN A 97 21.795 -3.255 4.982 1.00 0.00 O ATOM 1576 CB ASN A 97 20.172 -1.726 6.806 1.00 0.00 C ATOM 1577 CG ASN A 97 21.318 -1.080 7.570 1.00 0.00 C ATOM 1578 OD1 ASN A 97 22.434 -0.933 7.066 1.00 0.00 O ATOM 1579 ND2 ASN A 97 21.049 -0.714 8.813 1.00 0.00 N ATOM 0 H ASN A 97 18.561 -2.782 5.306 1.00 0.00 H new ATOM 0 HA ASN A 97 20.193 -0.426 5.099 1.00 0.00 H new ATOM 0 HB2 ASN A 97 19.230 -1.341 7.197 1.00 0.00 H new ATOM 0 HB3 ASN A 97 20.183 -2.799 7.000 1.00 0.00 H new ATOM 0 HD21 ASN A 97 21.778 -0.294 9.390 1.00 0.00 H new ATOM 0 HD22 ASN A 97 20.113 -0.852 9.194 1.00 0.00 H new ATOM 1586 N PRO A 98 22.179 -1.353 3.842 1.00 0.00 N ATOM 1587 CA PRO A 98 23.303 -1.874 3.040 1.00 0.00 C ATOM 1588 C PRO A 98 24.463 -2.424 3.873 1.00 0.00 C ATOM 1589 O PRO A 98 25.427 -2.964 3.328 1.00 0.00 O ATOM 1590 CB PRO A 98 23.764 -0.656 2.233 1.00 0.00 C ATOM 1591 CG PRO A 98 23.238 0.525 2.970 1.00 0.00 C ATOM 1592 CD PRO A 98 21.953 0.082 3.600 1.00 0.00 C ATOM 0 HA PRO A 98 22.983 -2.723 2.436 1.00 0.00 H new ATOM 0 HB2 PRO A 98 24.851 -0.621 2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 98 23.376 -0.689 1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 98 23.948 0.860 3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 98 23.072 1.364 2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 98 21.751 0.620 4.526 1.00 0.00 H new ATOM 0 HD3 PRO A 98 21.101 0.251 2.941 1.00 0.00 H new ATOM 1600 N TYR A 99 24.376 -2.292 5.185 1.00 0.00 N ATOM 1601 CA TYR A 99 25.444 -2.745 6.057 1.00 0.00 C ATOM 1602 C TYR A 99 25.015 -3.956 6.883 1.00 0.00 C ATOM 1603 O TYR A 99 25.849 -4.637 7.473 1.00 0.00 O ATOM 1604 CB TYR A 99 25.888 -1.610 6.985 1.00 0.00 C ATOM 1605 CG TYR A 99 26.344 -0.365 6.254 1.00 0.00 C ATOM 1606 CD1 TYR A 99 25.423 0.566 5.788 1.00 0.00 C ATOM 1607 CD2 TYR A 99 27.693 -0.119 6.032 1.00 0.00 C ATOM 1608 CE1 TYR A 99 25.831 1.703 5.121 1.00 0.00 C ATOM 1609 CE2 TYR A 99 28.108 1.019 5.364 1.00 0.00 C ATOM 1610 CZ TYR A 99 27.173 1.924 4.911 1.00 0.00 C ATOM 1611 OH TYR A 99 27.582 3.053 4.239 1.00 0.00 O ATOM 0 H TYR A 99 23.580 -1.876 5.668 1.00 0.00 H new ATOM 0 HA TYR A 99 26.282 -3.045 5.428 1.00 0.00 H new ATOM 0 HB2 TYR A 99 25.061 -1.349 7.646 1.00 0.00 H new ATOM 0 HB3 TYR A 99 26.701 -1.967 7.617 1.00 0.00 H new ATOM 0 HD1 TYR A 99 24.369 0.396 5.951 1.00 0.00 H new ATOM 0 HD2 TYR A 99 28.428 -0.826 6.386 1.00 0.00 H new ATOM 0 HE1 TYR A 99 25.101 2.415 4.766 1.00 0.00 H new ATOM 0 HE2 TYR A 99 29.160 1.197 5.198 1.00 0.00 H new ATOM 0 HH TYR A 99 28.560 3.060 4.176 1.00 0.00 H new ATOM 1621 N SER A 100 23.716 -4.236 6.921 1.00 0.00 N ATOM 1622 CA SER A 100 23.212 -5.303 7.780 1.00 0.00 C ATOM 1623 C SER A 100 22.148 -6.156 7.078 1.00 0.00 C ATOM 1624 O SER A 100 21.656 -7.131 7.648 1.00 0.00 O ATOM 1625 CB SER A 100 22.645 -4.687 9.068 1.00 0.00 C ATOM 1626 OG SER A 100 22.235 -5.679 9.995 1.00 0.00 O ATOM 0 H SER A 100 23.004 -3.749 6.377 1.00 0.00 H new ATOM 0 HA SER A 100 24.041 -5.969 8.020 1.00 0.00 H new ATOM 0 HB2 SER A 100 23.400 -4.050 9.529 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.797 -4.048 8.822 1.00 0.00 H new ATOM 0 HG SER A 100 21.959 -6.485 9.511 1.00 0.00 H new ATOM 1632 N ASP A 101 21.807 -5.787 5.843 1.00 0.00 N ATOM 1633 CA ASP A 101 20.783 -6.485 5.053 1.00 0.00 C ATOM 1634 C ASP A 101 19.438 -6.566 5.769 1.00 0.00 C ATOM 1635 O ASP A 101 18.590 -7.380 5.411 1.00 0.00 O ATOM 1636 CB ASP A 101 21.235 -7.896 4.670 1.00 0.00 C ATOM 1637 CG ASP A 101 22.348 -7.897 3.644 1.00 0.00 C ATOM 1638 OD1 ASP A 101 22.094 -7.514 2.482 1.00 0.00 O ATOM 1639 OD2 ASP A 101 23.480 -8.294 3.990 1.00 0.00 O ATOM 0 H ASP A 101 22.231 -4.996 5.359 1.00 0.00 H new ATOM 0 HA ASP A 101 20.651 -5.888 4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 101 21.571 -8.420 5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 101 20.384 -8.451 4.276 1.00 0.00 H new ATOM 1644 N GLU A 102 19.235 -5.726 6.771 1.00 0.00 N ATOM 1645 CA GLU A 102 17.969 -5.705 7.483 1.00 0.00 C ATOM 1646 C GLU A 102 17.048 -4.685 6.840 1.00 0.00 C ATOM 1647 O GLU A 102 17.508 -3.787 6.139 1.00 0.00 O ATOM 1648 CB GLU A 102 18.185 -5.414 8.974 1.00 0.00 C ATOM 1649 CG GLU A 102 19.003 -4.163 9.269 1.00 0.00 C ATOM 1650 CD GLU A 102 18.155 -3.002 9.750 1.00 0.00 C ATOM 1651 OE1 GLU A 102 17.171 -3.243 10.479 1.00 0.00 O ATOM 1652 OE2 GLU A 102 18.494 -1.841 9.433 1.00 0.00 O ATOM 0 H GLU A 102 19.925 -5.055 7.107 1.00 0.00 H new ATOM 0 HA GLU A 102 17.500 -6.686 7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 102 17.212 -5.317 9.455 1.00 0.00 H new ATOM 0 HB3 GLU A 102 18.681 -6.271 9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 102 19.753 -4.396 10.025 1.00 0.00 H new ATOM 0 HG3 GLU A 102 19.540 -3.865 8.368 1.00 0.00 H new ATOM 1659 N ILE A 103 15.756 -4.822 7.068 1.00 0.00 N ATOM 1660 CA ILE A 103 14.781 -3.984 6.395 1.00 0.00 C ATOM 1661 C ILE A 103 14.372 -2.835 7.290 1.00 0.00 C ATOM 1662 O ILE A 103 13.797 -3.044 8.361 1.00 0.00 O ATOM 1663 CB ILE A 103 13.528 -4.784 5.984 1.00 0.00 C ATOM 1664 CG1 ILE A 103 13.932 -5.949 5.084 1.00 0.00 C ATOM 1665 CG2 ILE A 103 12.514 -3.892 5.279 1.00 0.00 C ATOM 1666 CD1 ILE A 103 14.717 -5.531 3.858 1.00 0.00 C ATOM 0 H ILE A 103 15.357 -5.504 7.713 1.00 0.00 H new ATOM 0 HA ILE A 103 15.252 -3.598 5.491 1.00 0.00 H new ATOM 0 HB ILE A 103 13.056 -5.175 6.885 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.529 -6.653 5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.034 -6.478 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.641 -4.483 5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.209 -3.088 5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.965 -3.467 4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.968 -6.413 3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 103 14.115 -4.851 3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.634 -5.028 4.167 1.00 0.00 H new ATOM 1678 N GLU A 104 14.693 -1.627 6.858 1.00 0.00 N ATOM 1679 CA GLU A 104 14.334 -0.446 7.615 1.00 0.00 C ATOM 1680 C GLU A 104 12.844 -0.167 7.484 1.00 0.00 C ATOM 1681 O GLU A 104 12.178 0.196 8.454 1.00 0.00 O ATOM 1682 CB GLU A 104 15.162 0.753 7.172 1.00 0.00 C ATOM 1683 CG GLU A 104 15.258 0.923 5.674 1.00 0.00 C ATOM 1684 CD GLU A 104 16.390 1.855 5.286 1.00 0.00 C ATOM 1685 OE1 GLU A 104 17.556 1.407 5.287 1.00 0.00 O ATOM 1686 OE2 GLU A 104 16.126 3.044 5.003 1.00 0.00 O ATOM 0 H GLU A 104 15.199 -1.442 5.992 1.00 0.00 H new ATOM 0 HA GLU A 104 14.553 -0.627 8.667 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.730 1.657 7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.168 0.656 7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.411 -0.050 5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.316 1.316 5.291 1.00 0.00 H new ATOM 1693 N TYR A 105 12.327 -0.369 6.284 1.00 0.00 N ATOM 1694 CA TYR A 105 10.913 -0.172 6.018 1.00 0.00 C ATOM 1695 C TYR A 105 10.525 -0.812 4.696 1.00 0.00 C ATOM 1696 O TYR A 105 11.383 -1.168 3.884 1.00 0.00 O ATOM 1697 CB TYR A 105 10.557 1.325 6.015 1.00 0.00 C ATOM 1698 CG TYR A 105 11.355 2.169 5.038 1.00 0.00 C ATOM 1699 CD1 TYR A 105 11.118 2.105 3.672 1.00 0.00 C ATOM 1700 CD2 TYR A 105 12.343 3.034 5.491 1.00 0.00 C ATOM 1701 CE1 TYR A 105 11.842 2.875 2.786 1.00 0.00 C ATOM 1702 CE2 TYR A 105 13.069 3.811 4.607 1.00 0.00 C ATOM 1703 CZ TYR A 105 12.815 3.727 3.256 1.00 0.00 C ATOM 1704 OH TYR A 105 13.532 4.498 2.370 1.00 0.00 O ATOM 0 H TYR A 105 12.869 -0.671 5.475 1.00 0.00 H new ATOM 0 HA TYR A 105 10.349 -0.654 6.816 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.497 1.431 5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.705 1.721 7.020 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.354 1.441 3.296 1.00 0.00 H new ATOM 0 HD2 TYR A 105 12.547 3.101 6.549 1.00 0.00 H new ATOM 0 HE1 TYR A 105 11.646 2.809 1.726 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.832 4.481 4.975 1.00 0.00 H new ATOM 0 HH TYR A 105 14.179 5.045 2.862 1.00 0.00 H new ATOM 1714 N ILE A 106 9.230 -0.951 4.488 1.00 0.00 N ATOM 1715 CA ILE A 106 8.707 -1.541 3.274 1.00 0.00 C ATOM 1716 C ILE A 106 8.143 -0.446 2.381 1.00 0.00 C ATOM 1717 O ILE A 106 7.507 0.492 2.867 1.00 0.00 O ATOM 1718 CB ILE A 106 7.588 -2.562 3.580 1.00 0.00 C ATOM 1719 CG1 ILE A 106 8.061 -3.583 4.618 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.144 -3.271 2.306 1.00 0.00 C ATOM 1721 CD1 ILE A 106 6.969 -4.525 5.077 1.00 0.00 C ATOM 0 H ILE A 106 8.514 -0.659 5.154 1.00 0.00 H new ATOM 0 HA ILE A 106 9.524 -2.061 2.773 1.00 0.00 H new ATOM 0 HB ILE A 106 6.735 -2.020 3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.880 -4.166 4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.460 -3.053 5.483 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.356 -3.986 2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.766 -2.537 1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 106 7.992 -3.798 1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.374 -5.221 5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.160 -3.951 5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.586 -5.082 4.222 1.00 0.00 H new ATOM 1733 N ILE A 107 8.346 -0.576 1.084 1.00 0.00 N ATOM 1734 CA ILE A 107 7.872 0.409 0.136 1.00 0.00 C ATOM 1735 C ILE A 107 6.773 -0.213 -0.705 1.00 0.00 C ATOM 1736 O ILE A 107 7.017 -1.146 -1.470 1.00 0.00 O ATOM 1737 CB ILE A 107 9.001 0.912 -0.790 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.153 1.482 0.040 1.00 0.00 C ATOM 1739 CG2 ILE A 107 8.467 1.962 -1.759 1.00 0.00 C ATOM 1740 CD1 ILE A 107 11.327 1.956 -0.789 1.00 0.00 C ATOM 0 H ILE A 107 8.841 -1.362 0.662 1.00 0.00 H new ATOM 0 HA ILE A 107 7.497 1.266 0.695 1.00 0.00 H new ATOM 0 HB ILE A 107 9.377 0.070 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.781 2.315 0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 107 10.498 0.719 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.275 2.306 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.676 1.525 -2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.067 2.806 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 107 12.103 2.346 -0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 107 11.726 1.121 -1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 107 10.999 2.742 -1.469 1.00 0.00 H new ATOM 1752 N CYS A 108 5.559 0.271 -0.530 1.00 0.00 N ATOM 1753 CA CYS A 108 4.426 -0.268 -1.251 1.00 0.00 C ATOM 1754 C CYS A 108 3.988 0.677 -2.363 1.00 0.00 C ATOM 1755 O CYS A 108 3.481 1.775 -2.111 1.00 0.00 O ATOM 1756 CB CYS A 108 3.271 -0.564 -0.290 1.00 0.00 C ATOM 1757 SG CYS A 108 2.997 0.707 0.965 1.00 0.00 S ATOM 0 H CYS A 108 5.333 1.036 0.105 1.00 0.00 H new ATOM 0 HA CYS A 108 4.730 -1.206 -1.716 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.356 -0.688 -0.869 1.00 0.00 H new ATOM 0 HB3 CYS A 108 3.464 -1.514 0.209 1.00 0.00 H new ATOM 0 HG CYS A 108 3.519 0.324 2.092 1.00 0.00 H new ATOM 1763 N THR A 109 4.237 0.263 -3.594 1.00 0.00 N ATOM 1764 CA THR A 109 3.743 0.982 -4.751 1.00 0.00 C ATOM 1765 C THR A 109 2.364 0.442 -5.114 1.00 0.00 C ATOM 1766 O THR A 109 2.229 -0.714 -5.514 1.00 0.00 O ATOM 1767 CB THR A 109 4.702 0.829 -5.945 1.00 0.00 C ATOM 1768 OG1 THR A 109 6.039 1.126 -5.524 1.00 0.00 O ATOM 1769 CG2 THR A 109 4.310 1.756 -7.090 1.00 0.00 C ATOM 0 H THR A 109 4.781 -0.571 -3.816 1.00 0.00 H new ATOM 0 HA THR A 109 3.676 2.043 -4.510 1.00 0.00 H new ATOM 0 HB THR A 109 4.643 -0.199 -6.303 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.651 1.027 -6.283 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.006 1.625 -7.919 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.300 1.516 -7.423 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.343 2.791 -6.748 1.00 0.00 H new ATOM 1777 N ASN A 110 1.351 1.280 -4.984 1.00 0.00 N ATOM 1778 CA ASN A 110 -0.023 0.818 -5.094 1.00 0.00 C ATOM 1779 C ASN A 110 -0.622 1.264 -6.413 1.00 0.00 C ATOM 1780 O ASN A 110 -0.858 2.452 -6.629 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.872 1.326 -3.924 1.00 0.00 C ATOM 1782 CG ASN A 110 -0.523 0.655 -2.603 1.00 0.00 C ATOM 1783 OD1 ASN A 110 0.617 0.266 -2.364 1.00 0.00 O ATOM 1784 ND2 ASN A 110 -1.514 0.500 -1.739 1.00 0.00 N ATOM 0 H ASN A 110 1.452 2.279 -4.803 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.018 -0.271 -5.058 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.738 2.403 -3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.926 1.155 -4.145 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -1.342 0.045 -0.842 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -2.449 0.835 -1.970 1.00 0.00 H new ATOM 1791 N THR A 111 -0.872 0.303 -7.287 1.00 0.00 N ATOM 1792 CA THR A 111 -1.366 0.581 -8.615 1.00 0.00 C ATOM 1793 C THR A 111 -2.816 0.138 -8.730 1.00 0.00 C ATOM 1794 O THR A 111 -3.116 -1.054 -8.671 1.00 0.00 O ATOM 1795 CB THR A 111 -0.521 -0.155 -9.678 1.00 0.00 C ATOM 1796 OG1 THR A 111 0.872 0.115 -9.469 1.00 0.00 O ATOM 1797 CG2 THR A 111 -0.917 0.270 -11.084 1.00 0.00 C ATOM 0 H THR A 111 -0.737 -0.689 -7.091 1.00 0.00 H new ATOM 0 HA THR A 111 -1.294 1.655 -8.789 1.00 0.00 H new ATOM 0 HB THR A 111 -0.707 -1.224 -9.576 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.124 0.928 -9.955 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.306 -0.264 -11.811 1.00 0.00 H new ATOM 0 HG22 THR A 111 -1.968 0.036 -11.252 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.761 1.343 -11.197 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.709 1.091 -8.894 1.00 0.00 N ATOM 1806 CA ASN A 112 -5.124 0.783 -8.989 1.00 0.00 C ATOM 1807 C ASN A 112 -5.470 0.363 -10.407 1.00 0.00 C ATOM 1808 O ASN A 112 -5.068 1.017 -11.372 1.00 0.00 O ATOM 1809 CB ASN A 112 -5.955 1.986 -8.555 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.372 1.951 -9.104 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -7.670 2.555 -10.133 1.00 0.00 O ATOM 1812 ND2 ASN A 112 -8.248 1.212 -8.439 1.00 0.00 N ATOM 0 H ASN A 112 -3.483 2.083 -8.964 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.356 -0.046 -8.321 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.993 2.022 -7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.464 2.900 -8.888 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -9.207 1.130 -8.777 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.964 0.725 -7.589 1.00 0.00 H new ATOM 1819 N VAL A 113 -6.187 -0.744 -10.529 1.00 0.00 N ATOM 1820 CA VAL A 113 -6.526 -1.287 -11.828 1.00 0.00 C ATOM 1821 C VAL A 113 -8.033 -1.238 -12.050 1.00 0.00 C ATOM 1822 O VAL A 113 -8.565 -0.261 -12.571 1.00 0.00 O ATOM 1823 CB VAL A 113 -6.040 -2.746 -11.977 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -6.136 -3.194 -13.427 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -4.619 -2.910 -11.445 1.00 0.00 C ATOM 0 H VAL A 113 -6.544 -1.282 -9.740 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.023 -0.674 -12.576 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.691 -3.384 -11.379 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.790 -4.224 -13.513 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.172 -3.131 -13.760 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.515 -2.549 -14.049 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.304 -3.947 -11.563 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.945 -2.260 -12.002 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.592 -2.641 -10.389 1.00 0.00 H new ATOM 1835 N LYS A 114 -8.711 -2.299 -11.647 1.00 0.00 N ATOM 1836 CA LYS A 114 -10.151 -2.397 -11.809 1.00 0.00 C ATOM 1837 C LYS A 114 -10.871 -1.855 -10.582 1.00 0.00 C ATOM 1838 O LYS A 114 -10.241 -1.492 -9.587 1.00 0.00 O ATOM 1839 CB LYS A 114 -10.529 -3.855 -12.053 1.00 0.00 C ATOM 1840 CG LYS A 114 -9.865 -4.448 -13.286 1.00 0.00 C ATOM 1841 CD LYS A 114 -10.049 -5.953 -13.358 1.00 0.00 C ATOM 1842 CE LYS A 114 -11.499 -6.343 -13.591 1.00 0.00 C ATOM 1843 NZ LYS A 114 -11.661 -7.817 -13.674 1.00 0.00 N ATOM 0 H LYS A 114 -8.283 -3.111 -11.202 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.457 -1.796 -12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -10.253 -4.446 -11.180 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.611 -3.930 -12.160 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -10.284 -3.988 -14.181 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.801 -4.212 -13.274 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.433 -6.355 -14.162 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.697 -6.405 -12.431 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -12.116 -5.953 -12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -11.856 -5.884 -14.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -12.662 -8.048 -13.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -11.091 -8.185 -14.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -11.343 -8.252 -12.784 1.00 0.00 H new ATOM 1857 N ASN A 115 -12.189 -1.821 -10.645 1.00 0.00 N ATOM 1858 CA ASN A 115 -12.980 -1.199 -9.596 1.00 0.00 C ATOM 1859 C ASN A 115 -14.003 -2.181 -9.024 1.00 0.00 C ATOM 1860 O ASN A 115 -15.116 -1.804 -8.656 1.00 0.00 O ATOM 1861 CB ASN A 115 -13.670 0.053 -10.150 1.00 0.00 C ATOM 1862 CG ASN A 115 -14.270 0.927 -9.059 1.00 0.00 C ATOM 1863 OD1 ASN A 115 -13.798 0.930 -7.925 1.00 0.00 O ATOM 1864 ND2 ASN A 115 -15.284 1.706 -9.399 1.00 0.00 N ATOM 0 H ASN A 115 -12.735 -2.216 -11.410 1.00 0.00 H new ATOM 0 HA ASN A 115 -12.318 -0.907 -8.780 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -12.949 0.637 -10.721 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -14.457 -0.247 -10.842 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -15.698 2.334 -8.710 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -15.652 1.678 -10.350 1.00 0.00 H new ATOM 1871 N SER A 116 -13.619 -3.455 -8.989 1.00 0.00 N ATOM 1872 CA SER A 116 -14.408 -4.505 -8.340 1.00 0.00 C ATOM 1873 C SER A 116 -15.800 -4.638 -8.970 1.00 0.00 C ATOM 1874 O SER A 116 -16.745 -5.080 -8.318 1.00 0.00 O ATOM 1875 CB SER A 116 -14.519 -4.212 -6.838 1.00 0.00 C ATOM 1876 OG SER A 116 -15.006 -5.333 -6.116 1.00 0.00 O ATOM 0 H SER A 116 -12.752 -3.791 -9.409 1.00 0.00 H new ATOM 0 HA SER A 116 -13.896 -5.457 -8.485 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.541 -3.927 -6.450 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.184 -3.362 -6.682 1.00 0.00 H new ATOM 0 HG SER A 116 -15.838 -5.649 -6.525 1.00 0.00 H new ATOM 1882 N SER A 117 -15.908 -4.259 -10.241 1.00 0.00 N ATOM 1883 CA SER A 117 -17.165 -4.325 -10.982 1.00 0.00 C ATOM 1884 C SER A 117 -18.243 -3.448 -10.334 1.00 0.00 C ATOM 1885 O SER A 117 -19.438 -3.664 -10.534 1.00 0.00 O ATOM 1886 CB SER A 117 -17.648 -5.780 -11.100 1.00 0.00 C ATOM 1887 OG SER A 117 -18.794 -5.884 -11.934 1.00 0.00 O ATOM 0 H SER A 117 -15.126 -3.897 -10.787 1.00 0.00 H new ATOM 0 HA SER A 117 -16.981 -3.938 -11.984 1.00 0.00 H new ATOM 0 HB2 SER A 117 -16.846 -6.399 -11.503 1.00 0.00 H new ATOM 0 HB3 SER A 117 -17.882 -6.168 -10.109 1.00 0.00 H new ATOM 0 HG SER A 117 -19.419 -5.159 -11.723 1.00 0.00 H new ATOM 1893 N GLN A 118 -17.819 -2.440 -9.580 1.00 0.00 N ATOM 1894 CA GLN A 118 -18.757 -1.512 -8.954 1.00 0.00 C ATOM 1895 C GLN A 118 -19.251 -0.484 -9.968 1.00 0.00 C ATOM 1896 O GLN A 118 -19.934 0.480 -9.623 1.00 0.00 O ATOM 1897 CB GLN A 118 -18.100 -0.824 -7.760 1.00 0.00 C ATOM 1898 CG GLN A 118 -17.906 -1.748 -6.567 1.00 0.00 C ATOM 1899 CD GLN A 118 -17.007 -1.150 -5.507 1.00 0.00 C ATOM 1900 OE1 GLN A 118 -16.353 -1.873 -4.754 1.00 0.00 O ATOM 1901 NE2 GLN A 118 -16.957 0.170 -5.447 1.00 0.00 N ATOM 0 H GLN A 118 -16.837 -2.244 -9.387 1.00 0.00 H new ATOM 0 HA GLN A 118 -19.619 -2.075 -8.596 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -17.132 -0.427 -8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -18.711 0.026 -7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -18.877 -1.977 -6.128 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -17.481 -2.692 -6.909 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -17.515 0.731 -6.090 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -16.360 0.627 -4.758 1.00 0.00 H new ATOM 1910 N GLU A 119 -18.893 -0.708 -11.222 1.00 0.00 N ATOM 1911 CA GLU A 119 -19.359 0.108 -12.324 1.00 0.00 C ATOM 1912 C GLU A 119 -19.633 -0.776 -13.539 1.00 0.00 C ATOM 1913 O GLU A 119 -18.673 -1.309 -14.132 1.00 0.00 O ATOM 1914 CB GLU A 119 -18.349 1.220 -12.646 1.00 0.00 C ATOM 1915 CG GLU A 119 -16.897 0.761 -12.684 1.00 0.00 C ATOM 1916 CD GLU A 119 -15.938 1.908 -12.931 1.00 0.00 C ATOM 1917 OE1 GLU A 119 -15.528 2.566 -11.956 1.00 0.00 O ATOM 1918 OE2 GLU A 119 -15.597 2.162 -14.102 1.00 0.00 O ATOM 1919 OXT GLU A 119 -20.819 -0.968 -13.871 1.00 0.00 O ATOM 0 H GLU A 119 -18.269 -1.464 -11.502 1.00 0.00 H new ATOM 0 HA GLU A 119 -20.291 0.596 -12.039 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -18.604 1.657 -13.611 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -18.448 2.010 -11.902 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -16.646 0.277 -11.740 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -16.775 0.013 -13.467 1.00 0.00 H new TER 1926 GLU A 119