USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 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 20 TYR OH : rot 70:sc= 1.09 USER MOD Set 1.2: B 97 LYS NZ :NH3+ -130:sc= 1.17 (180deg=-0.257) USER MOD Single : A 5 SER OG : rot -39:sc= 0.189 USER MOD Single : A 7 GLN : amide:sc= -1.53! C(o=-1.5!,f=-1.5!) USER MOD Single : B 34 TYR OH : rot -37:sc= 0.379 USER MOD Single : B 37 LYS NZ :NH3+ 132:sc= 2.29 (180deg=0.444) USER MOD Single : B 38 MET CE :methyl -122:sc= -0.0856 (180deg=-2.32) USER MOD Single : B 39 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.134) USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 TYR OH : rot -135:sc= -0.192 USER MOD Single : B 47 LYS NZ :NH3+ -176:sc= 2.31 (180deg=2.11) USER MOD Single : B 54 ASN : amide:sc= -2.58! K(o=-2.6!,f=-0.066) USER MOD Single : B 55 LYS NZ :NH3+ 157:sc= -1.43! (180deg=-2.56!) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot 100:sc= -0.576 USER MOD Single : B 68 TYR OH : rot 180:sc= -0.647 USER MOD Single : B 69 ASN : amide:sc= -3.81! K(o=-3.8!,f=-0.56) USER MOD Single : B 73 ASN : amide:sc= -3.24 K(o=-3.2,f=-3.8) USER MOD Single : B 76 TYR OH : rot 97:sc= 0.111 USER MOD Single : B 78 ASN : amide:sc= -0.227 K(o=-0.23,f=-6.7!) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= -2.78! C(o=-2.8!,f=-1.5!) USER MOD Single : B 100 HIS : no HE2:sc= 0.987 K(o=0.99,f=-4.3!) USER MOD Single : B 103 LYS NZ :NH3+ 166:sc= -0.0278 (180deg=-0.215) USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 TYR OH : rot 30:sc= -0.145 USER MOD Single : B 110 TYR OH : rot -161:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 59 N SER A 5 7.787 14.221 -6.812 1.00 0.00 N ATOM 60 CA SER A 5 7.127 12.931 -6.703 1.00 0.00 C ATOM 61 C SER A 5 7.353 12.060 -7.932 1.00 0.00 C ATOM 62 O SER A 5 7.501 12.555 -9.049 1.00 0.00 O ATOM 63 CB SER A 5 5.628 13.142 -6.477 1.00 0.00 C ATOM 64 OG SER A 5 5.085 14.018 -7.452 1.00 0.00 O ATOM 0 HA SER A 5 7.563 12.406 -5.853 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.112 12.183 -6.517 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.461 13.552 -5.481 1.00 0.00 H new ATOM 0 HG SER A 5 5.721 14.741 -7.633 1.00 0.00 H new ATOM 70 N VAL A 6 7.386 10.756 -7.705 1.00 0.00 N ATOM 71 CA VAL A 6 7.486 9.776 -8.775 1.00 0.00 C ATOM 72 C VAL A 6 6.394 8.732 -8.612 1.00 0.00 C ATOM 73 O VAL A 6 6.062 8.344 -7.493 1.00 0.00 O ATOM 74 CB VAL A 6 8.861 9.074 -8.793 1.00 0.00 C ATOM 75 CG1 VAL A 6 9.949 10.029 -9.247 1.00 0.00 C ATOM 76 CG2 VAL A 6 9.193 8.497 -7.425 1.00 0.00 C ATOM 0 H VAL A 6 7.344 10.347 -6.772 1.00 0.00 H new ATOM 0 HA VAL A 6 7.369 10.308 -9.719 1.00 0.00 H new ATOM 0 HB VAL A 6 8.809 8.252 -9.507 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.908 9.512 -9.252 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.724 10.385 -10.252 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.997 10.877 -8.564 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.166 8.008 -7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.219 9.300 -6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.432 7.770 -7.142 1.00 0.00 H new ATOM 86 N GLN A 7 5.836 8.281 -9.717 1.00 0.00 N ATOM 87 CA GLN A 7 4.751 7.314 -9.670 1.00 0.00 C ATOM 88 C GLN A 7 5.313 5.905 -9.600 1.00 0.00 C ATOM 89 O GLN A 7 6.294 5.584 -10.274 1.00 0.00 O ATOM 90 CB GLN A 7 3.811 7.465 -10.878 1.00 0.00 C ATOM 91 CG GLN A 7 4.390 6.995 -12.211 1.00 0.00 C ATOM 92 CD GLN A 7 5.555 7.839 -12.693 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.369 8.838 -13.384 1.00 0.00 O ATOM 94 NE2 GLN A 7 6.765 7.437 -12.341 1.00 0.00 N ATOM 0 H GLN A 7 6.112 8.565 -10.657 1.00 0.00 H new ATOM 0 HA GLN A 7 4.163 7.506 -8.772 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.896 6.906 -10.679 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.530 8.514 -10.971 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.717 5.960 -12.112 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.604 7.010 -12.966 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.878 6.602 -11.766 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.585 7.962 -12.644 1.00 0.00 H new ATOM 103 N ILE A 8 4.717 5.072 -8.764 1.00 0.00 N ATOM 104 CA ILE A 8 5.190 3.710 -8.607 1.00 0.00 C ATOM 105 C ILE A 8 4.197 2.738 -9.227 1.00 0.00 C ATOM 106 O ILE A 8 3.037 2.683 -8.815 1.00 0.00 O ATOM 107 CB ILE A 8 5.394 3.330 -7.124 1.00 0.00 C ATOM 108 CG1 ILE A 8 6.003 4.492 -6.329 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.281 2.096 -7.019 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.343 4.961 -6.848 1.00 0.00 C ATOM 0 H ILE A 8 3.911 5.314 -8.188 1.00 0.00 H new ATOM 0 HA ILE A 8 6.154 3.648 -9.113 1.00 0.00 H new ATOM 0 HB ILE A 8 4.418 3.107 -6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.307 5.331 -6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.115 4.187 -5.289 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.419 1.836 -5.970 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.809 1.263 -7.540 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.250 2.305 -7.472 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.704 5.784 -6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.057 4.138 -6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.236 5.300 -7.878 1.00 0.00 H new ATOM 122 N PRO A 9 4.623 1.974 -10.239 1.00 0.00 N ATOM 123 CA PRO A 9 3.771 0.967 -10.863 1.00 0.00 C ATOM 124 C PRO A 9 3.531 -0.222 -9.942 1.00 0.00 C ATOM 125 O PRO A 9 4.472 -0.868 -9.471 1.00 0.00 O ATOM 126 CB PRO A 9 4.547 0.540 -12.104 1.00 0.00 C ATOM 127 CG PRO A 9 5.972 0.870 -11.809 1.00 0.00 C ATOM 128 CD PRO A 9 5.958 2.039 -10.859 1.00 0.00 C ATOM 0 HA PRO A 9 2.781 1.359 -11.094 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.422 -0.525 -12.299 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.196 1.070 -12.989 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.483 0.016 -11.364 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.508 1.121 -12.724 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.749 1.958 -10.114 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.110 2.982 -11.384 1.00 0.00 H new ATOM 136 N VAL A 10 2.267 -0.507 -9.693 1.00 0.00 N ATOM 137 CA VAL A 10 1.892 -1.587 -8.799 1.00 0.00 C ATOM 138 C VAL A 10 1.593 -2.858 -9.583 1.00 0.00 C ATOM 139 O VAL A 10 0.816 -2.848 -10.538 1.00 0.00 O ATOM 140 CB VAL A 10 0.682 -1.204 -7.909 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.417 -0.543 -8.724 1.00 0.00 C ATOM 142 CG2 VAL A 10 0.135 -2.423 -7.177 1.00 0.00 C ATOM 0 H VAL A 10 1.479 -0.003 -10.099 1.00 0.00 H new ATOM 0 HA VAL A 10 2.741 -1.772 -8.141 1.00 0.00 H new ATOM 0 HB VAL A 10 1.036 -0.486 -7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.251 -0.287 -8.070 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.030 0.363 -9.190 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.760 -1.230 -9.497 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.713 -2.127 -6.560 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.188 -3.169 -7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.914 -2.847 -6.543 1.00 0.00 H new ATOM 152 N VAL A 11 2.233 -3.944 -9.185 1.00 0.00 N ATOM 153 CA VAL A 11 2.034 -5.225 -9.833 1.00 0.00 C ATOM 154 C VAL A 11 0.932 -5.996 -9.119 1.00 0.00 C ATOM 155 O VAL A 11 0.958 -6.139 -7.897 1.00 0.00 O ATOM 156 CB VAL A 11 3.331 -6.061 -9.831 1.00 0.00 C ATOM 157 CG1 VAL A 11 3.115 -7.397 -10.520 1.00 0.00 C ATOM 158 CG2 VAL A 11 4.465 -5.292 -10.492 1.00 0.00 C ATOM 0 H VAL A 11 2.898 -3.962 -8.412 1.00 0.00 H new ATOM 0 HA VAL A 11 1.747 -5.040 -10.868 1.00 0.00 H new ATOM 0 HB VAL A 11 3.607 -6.256 -8.795 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.043 -7.968 -10.506 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.338 -7.955 -9.997 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.808 -7.229 -11.552 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.371 -5.898 -10.481 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.196 -5.061 -11.523 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.642 -4.365 -9.947 1.00 0.00 H new ATOM 168 N GLU A 12 -0.049 -6.469 -9.872 1.00 0.00 N ATOM 169 CA GLU A 12 -1.142 -7.222 -9.287 1.00 0.00 C ATOM 170 C GLU A 12 -0.893 -8.710 -9.432 1.00 0.00 C ATOM 171 O GLU A 12 -0.949 -9.264 -10.529 1.00 0.00 O ATOM 172 CB GLU A 12 -2.473 -6.831 -9.923 1.00 0.00 C ATOM 173 CG GLU A 12 -2.771 -5.350 -9.801 1.00 0.00 C ATOM 174 CD GLU A 12 -4.177 -4.997 -10.228 1.00 0.00 C ATOM 175 OE1 GLU A 12 -4.452 -4.975 -11.445 1.00 0.00 O ATOM 176 OE2 GLU A 12 -5.017 -4.748 -9.337 1.00 0.00 O ATOM 0 H GLU A 12 -0.109 -6.345 -10.883 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.195 -6.983 -8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.462 -7.109 -10.977 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.276 -7.398 -9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.621 -5.038 -8.767 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.060 -4.790 -10.409 1.00 0.00 H new ATOM 183 N VAL A 13 -0.603 -9.341 -8.312 1.00 0.00 N ATOM 184 CA VAL A 13 -0.277 -10.761 -8.278 1.00 0.00 C ATOM 185 C VAL A 13 -1.072 -11.465 -7.191 1.00 0.00 C ATOM 186 O VAL A 13 -1.817 -10.829 -6.448 1.00 0.00 O ATOM 187 CB VAL A 13 1.229 -10.992 -8.031 1.00 0.00 C ATOM 188 CG1 VAL A 13 2.033 -10.706 -9.289 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.721 -10.132 -6.874 1.00 0.00 C ATOM 0 H VAL A 13 -0.585 -8.888 -7.398 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.539 -11.174 -9.252 1.00 0.00 H new ATOM 0 HB VAL A 13 1.373 -12.040 -7.766 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.091 -10.876 -9.091 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.703 -11.368 -10.090 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.882 -9.669 -9.590 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.785 -10.309 -6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.559 -9.080 -7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.171 -10.391 -5.969 1.00 0.00 H new ATOM 199 N ASP A 14 -0.923 -12.778 -7.111 1.00 0.00 N ATOM 200 CA ASP A 14 -1.629 -13.569 -6.111 1.00 0.00 C ATOM 201 C ASP A 14 -0.707 -13.915 -4.952 1.00 0.00 C ATOM 202 O ASP A 14 -1.148 -14.437 -3.929 1.00 0.00 O ATOM 203 CB ASP A 14 -2.197 -14.848 -6.730 1.00 0.00 C ATOM 204 CG ASP A 14 -3.253 -14.566 -7.781 1.00 0.00 C ATOM 205 OD1 ASP A 14 -4.437 -14.400 -7.420 1.00 0.00 O ATOM 206 OD2 ASP A 14 -2.903 -14.501 -8.975 1.00 0.00 O ATOM 0 H ASP A 14 -0.318 -13.321 -7.727 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.457 -12.970 -5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.386 -15.421 -7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.628 -15.468 -5.944 1.00 0.00 H new ATOM 211 N GLU A 15 0.578 -13.635 -5.129 1.00 0.00 N ATOM 212 CA GLU A 15 1.564 -13.831 -4.077 1.00 0.00 C ATOM 213 C GLU A 15 2.845 -13.079 -4.419 1.00 0.00 C ATOM 214 O GLU A 15 3.107 -12.787 -5.587 1.00 0.00 O ATOM 215 CB GLU A 15 1.870 -15.319 -3.885 1.00 0.00 C ATOM 216 CG GLU A 15 2.614 -15.954 -5.049 1.00 0.00 C ATOM 217 CD GLU A 15 2.951 -17.409 -4.798 1.00 0.00 C ATOM 218 OE1 GLU A 15 3.852 -17.683 -3.977 1.00 0.00 O ATOM 219 OE2 GLU A 15 2.315 -18.288 -5.417 1.00 0.00 O ATOM 0 H GLU A 15 0.963 -13.268 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 15 1.153 -13.441 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.462 -15.443 -2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.933 -15.855 -3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.006 -15.876 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.533 -15.398 -5.235 1.00 0.00 H new ATOM 226 N LEU A 16 3.628 -12.754 -3.402 1.00 0.00 N ATOM 227 CA LEU A 16 4.898 -12.090 -3.596 1.00 0.00 C ATOM 228 C LEU A 16 5.980 -13.112 -3.913 1.00 0.00 C ATOM 229 O LEU A 16 5.864 -14.282 -3.546 1.00 0.00 O ATOM 230 CB LEU A 16 5.301 -11.302 -2.343 1.00 0.00 C ATOM 231 CG LEU A 16 4.300 -10.256 -1.839 1.00 0.00 C ATOM 232 CD1 LEU A 16 3.580 -9.582 -2.988 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.311 -10.872 -0.869 1.00 0.00 C ATOM 0 H LEU A 16 3.399 -12.944 -2.426 1.00 0.00 H new ATOM 0 HA LEU A 16 4.791 -11.397 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.485 -12.013 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.246 -10.799 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 16 4.865 -9.491 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.878 -8.846 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.306 -9.084 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.037 -10.330 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.613 -10.108 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.761 -11.670 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.848 -11.282 -0.013 1.00 0.00 H new ATOM 245 N PRO A 17 7.026 -12.680 -4.626 1.00 0.00 N ATOM 246 CA PRO A 17 8.215 -13.498 -4.892 1.00 0.00 C ATOM 247 C PRO A 17 8.827 -14.105 -3.629 1.00 0.00 C ATOM 248 O PRO A 17 8.507 -13.710 -2.504 1.00 0.00 O ATOM 249 CB PRO A 17 9.193 -12.497 -5.498 1.00 0.00 C ATOM 250 CG PRO A 17 8.335 -11.463 -6.131 1.00 0.00 C ATOM 251 CD PRO A 17 7.110 -11.358 -5.269 1.00 0.00 C ATOM 0 HA PRO A 17 7.974 -14.350 -5.528 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.838 -12.062 -4.734 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.844 -12.974 -6.231 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.855 -10.507 -6.189 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.072 -11.745 -7.150 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.205 -10.559 -4.533 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.220 -11.143 -5.861 1.00 0.00 H new ATOM 259 N GLU A 18 9.725 -15.053 -3.830 1.00 0.00 N ATOM 260 CA GLU A 18 10.403 -15.705 -2.724 1.00 0.00 C ATOM 261 C GLU A 18 11.406 -14.752 -2.095 1.00 0.00 C ATOM 262 O GLU A 18 12.207 -14.125 -2.790 1.00 0.00 O ATOM 263 CB GLU A 18 11.087 -16.985 -3.200 1.00 0.00 C ATOM 264 CG GLU A 18 10.100 -18.061 -3.617 1.00 0.00 C ATOM 265 CD GLU A 18 10.769 -19.286 -4.200 1.00 0.00 C ATOM 266 OE1 GLU A 18 11.587 -19.914 -3.498 1.00 0.00 O ATOM 267 OE2 GLU A 18 10.478 -19.627 -5.365 1.00 0.00 O ATOM 0 H GLU A 18 10.002 -15.389 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 18 9.668 -15.978 -1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.739 -16.751 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.722 -17.370 -2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.506 -18.356 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.409 -17.647 -4.352 1.00 0.00 H new ATOM 274 N GLY A 19 11.345 -14.640 -0.778 1.00 0.00 N ATOM 275 CA GLY A 19 12.143 -13.659 -0.078 1.00 0.00 C ATOM 276 C GLY A 19 11.276 -12.558 0.491 1.00 0.00 C ATOM 277 O GLY A 19 11.760 -11.659 1.182 1.00 0.00 O ATOM 0 H GLY A 19 10.753 -15.215 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.696 -14.143 0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.879 -13.231 -0.759 1.00 0.00 H new ATOM 281 N TYR A 20 9.986 -12.622 0.180 1.00 0.00 N ATOM 282 CA TYR A 20 9.014 -11.690 0.727 1.00 0.00 C ATOM 283 C TYR A 20 8.285 -12.305 1.913 1.00 0.00 C ATOM 284 O TYR A 20 8.143 -13.525 2.009 1.00 0.00 O ATOM 285 CB TYR A 20 8.003 -11.274 -0.337 1.00 0.00 C ATOM 286 CG TYR A 20 8.514 -10.240 -1.315 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.147 -10.611 -2.492 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.336 -8.887 -1.067 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.590 -9.662 -3.392 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.778 -7.932 -1.961 1.00 0.00 C ATOM 291 CZ TYR A 20 9.402 -8.325 -3.122 1.00 0.00 C ATOM 292 OH TYR A 20 9.835 -7.380 -4.022 1.00 0.00 O ATOM 0 H TYR A 20 9.590 -13.316 -0.453 1.00 0.00 H new ATOM 0 HA TYR A 20 9.555 -10.806 1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.693 -12.159 -0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.115 -10.881 0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.296 -11.659 -2.708 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.843 -8.575 -0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.082 -9.967 -4.304 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.635 -6.883 -1.750 1.00 0.00 H new ATOM 0 HH TYR A 20 9.275 -7.413 -4.826 1.00 0.00 H new ATOM 302 N ASP A 21 7.820 -11.450 2.807 1.00 0.00 N ATOM 303 CA ASP A 21 7.134 -11.887 4.014 1.00 0.00 C ATOM 304 C ASP A 21 5.657 -11.527 3.929 1.00 0.00 C ATOM 305 O ASP A 21 5.266 -10.384 4.191 1.00 0.00 O ATOM 306 CB ASP A 21 7.771 -11.235 5.245 1.00 0.00 C ATOM 307 CG ASP A 21 7.195 -11.751 6.548 1.00 0.00 C ATOM 308 OD1 ASP A 21 7.652 -12.808 7.033 1.00 0.00 O ATOM 309 OD2 ASP A 21 6.289 -11.101 7.101 1.00 0.00 O ATOM 0 H ASP A 21 7.906 -10.437 2.719 1.00 0.00 H new ATOM 0 HA ASP A 21 7.227 -12.969 4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.846 -11.416 5.231 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.629 -10.156 5.193 1.00 0.00 H new ATOM 314 N ARG A 22 4.839 -12.492 3.537 1.00 0.00 N ATOM 315 CA ARG A 22 3.418 -12.247 3.343 1.00 0.00 C ATOM 316 C ARG A 22 2.605 -12.666 4.557 1.00 0.00 C ATOM 317 O ARG A 22 2.921 -13.651 5.224 1.00 0.00 O ATOM 318 CB ARG A 22 2.898 -12.979 2.101 1.00 0.00 C ATOM 319 CG ARG A 22 1.386 -12.890 1.957 1.00 0.00 C ATOM 320 CD ARG A 22 0.896 -13.341 0.597 1.00 0.00 C ATOM 321 NE ARG A 22 1.285 -14.716 0.293 1.00 0.00 N ATOM 322 CZ ARG A 22 0.515 -15.784 0.506 1.00 0.00 C ATOM 323 NH1 ARG A 22 -0.695 -15.653 1.042 1.00 0.00 N ATOM 324 NH2 ARG A 22 0.964 -16.989 0.182 1.00 0.00 N ATOM 0 H ARG A 22 5.134 -13.450 3.347 1.00 0.00 H new ATOM 0 HA ARG A 22 3.299 -11.173 3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.369 -12.558 1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.193 -14.027 2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.916 -13.501 2.728 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.070 -11.861 2.129 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.190 -13.257 0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.295 -12.676 -0.169 1.00 0.00 H new ATOM 0 HE ARG A 22 2.209 -14.870 -0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.043 -14.728 1.295 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.275 -16.477 1.200 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.892 -17.094 -0.227 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.381 -17.811 0.342 1.00 0.00 H new ATOM 491 N GLU B 33 -13.029 0.518 2.965 1.00 0.00 N ATOM 492 CA GLU B 33 -12.442 0.678 4.275 1.00 0.00 C ATOM 493 C GLU B 33 -11.152 -0.117 4.342 1.00 0.00 C ATOM 494 O GLU B 33 -11.167 -1.338 4.493 1.00 0.00 O ATOM 495 CB GLU B 33 -13.423 0.208 5.353 1.00 0.00 C ATOM 496 CG GLU B 33 -12.869 0.302 6.762 1.00 0.00 C ATOM 497 CD GLU B 33 -13.870 -0.123 7.815 1.00 0.00 C ATOM 498 OE1 GLU B 33 -14.823 0.641 8.083 1.00 0.00 O ATOM 499 OE2 GLU B 33 -13.714 -1.222 8.384 1.00 0.00 O ATOM 0 HA GLU B 33 -12.222 1.731 4.453 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.333 0.805 5.289 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.704 -0.825 5.151 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -11.979 -0.322 6.840 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.557 1.328 6.957 1.00 0.00 H new ATOM 506 N TYR B 34 -10.044 0.568 4.173 1.00 0.00 N ATOM 507 CA TYR B 34 -8.747 -0.080 4.194 1.00 0.00 C ATOM 508 C TYR B 34 -8.200 -0.186 5.610 1.00 0.00 C ATOM 509 O TYR B 34 -8.530 0.621 6.483 1.00 0.00 O ATOM 510 CB TYR B 34 -7.758 0.677 3.316 1.00 0.00 C ATOM 511 CG TYR B 34 -8.113 0.673 1.848 1.00 0.00 C ATOM 512 CD1 TYR B 34 -7.890 -0.452 1.068 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.667 1.793 1.244 1.00 0.00 C ATOM 514 CE1 TYR B 34 -8.208 -0.463 -0.274 1.00 0.00 C ATOM 515 CE2 TYR B 34 -8.987 1.792 -0.098 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.757 0.663 -0.853 1.00 0.00 C ATOM 517 OH TYR B 34 -9.075 0.658 -2.190 1.00 0.00 O ATOM 0 H TYR B 34 -10.012 1.576 4.019 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.879 -1.088 3.802 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.697 1.709 3.662 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.768 0.239 3.441 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.460 -1.334 1.519 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -8.850 2.679 1.834 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -8.029 -1.347 -0.868 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.416 2.672 -0.554 1.00 0.00 H new ATOM 0 HH TYR B 34 -8.400 0.148 -2.685 1.00 0.00 H new ATOM 527 N GLU B 35 -7.371 -1.192 5.827 1.00 0.00 N ATOM 528 CA GLU B 35 -6.700 -1.386 7.096 1.00 0.00 C ATOM 529 C GLU B 35 -5.195 -1.354 6.871 1.00 0.00 C ATOM 530 O GLU B 35 -4.644 -2.248 6.229 1.00 0.00 O ATOM 531 CB GLU B 35 -7.115 -2.724 7.711 1.00 0.00 C ATOM 532 CG GLU B 35 -6.676 -2.901 9.154 1.00 0.00 C ATOM 533 CD GLU B 35 -6.925 -4.304 9.665 1.00 0.00 C ATOM 534 OE1 GLU B 35 -8.095 -4.650 9.928 1.00 0.00 O ATOM 535 OE2 GLU B 35 -5.948 -5.070 9.808 1.00 0.00 O ATOM 0 H GLU B 35 -7.145 -1.897 5.126 1.00 0.00 H new ATOM 0 HA GLU B 35 -6.982 -0.589 7.785 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.200 -2.816 7.658 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -6.697 -3.533 7.112 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -5.614 -2.669 9.239 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.209 -2.188 9.783 1.00 0.00 H new ATOM 542 N VAL B 36 -4.549 -0.305 7.359 1.00 0.00 N ATOM 543 CA VAL B 36 -3.111 -0.133 7.182 1.00 0.00 C ATOM 544 C VAL B 36 -2.331 -0.711 8.362 1.00 0.00 C ATOM 545 O VAL B 36 -2.555 -0.333 9.513 1.00 0.00 O ATOM 546 CB VAL B 36 -2.745 1.358 7.024 1.00 0.00 C ATOM 547 CG1 VAL B 36 -1.247 1.527 6.828 1.00 0.00 C ATOM 548 CG2 VAL B 36 -3.516 1.981 5.870 1.00 0.00 C ATOM 0 H VAL B 36 -4.999 0.445 7.884 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.838 -0.672 6.275 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.027 1.878 7.940 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -1.011 2.586 6.719 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.719 1.125 7.693 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.935 0.991 5.931 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -3.243 3.032 5.776 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -3.272 1.458 4.945 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.586 1.899 6.061 1.00 0.00 H new ATOM 558 N LYS B 37 -1.408 -1.620 8.070 1.00 0.00 N ATOM 559 CA LYS B 37 -0.567 -2.220 9.094 1.00 0.00 C ATOM 560 C LYS B 37 0.890 -1.950 8.763 1.00 0.00 C ATOM 561 O LYS B 37 1.293 -2.048 7.607 1.00 0.00 O ATOM 562 CB LYS B 37 -0.799 -3.735 9.205 1.00 0.00 C ATOM 563 CG LYS B 37 -2.236 -4.127 9.514 1.00 0.00 C ATOM 564 CD LYS B 37 -3.105 -4.084 8.270 1.00 0.00 C ATOM 565 CE LYS B 37 -3.270 -5.454 7.640 1.00 0.00 C ATOM 566 NZ LYS B 37 -4.034 -6.383 8.514 1.00 0.00 N ATOM 0 H LYS B 37 -1.224 -1.958 7.125 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.827 -1.773 10.054 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.499 -4.206 8.269 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -0.150 -4.134 9.985 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.257 -5.130 9.939 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.644 -3.453 10.267 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -4.086 -3.684 8.527 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.663 -3.402 7.543 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -3.782 -5.353 6.683 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -2.287 -5.878 7.432 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -4.774 -6.855 7.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.389 -7.097 8.909 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.474 -5.847 9.289 1.00 0.00 H new ATOM 580 N MET B 38 1.672 -1.611 9.767 1.00 0.00 N ATOM 581 CA MET B 38 3.060 -1.242 9.551 1.00 0.00 C ATOM 582 C MET B 38 3.982 -2.177 10.319 1.00 0.00 C ATOM 583 O MET B 38 3.678 -2.557 11.449 1.00 0.00 O ATOM 584 CB MET B 38 3.279 0.205 9.980 1.00 0.00 C ATOM 585 CG MET B 38 4.098 0.991 8.981 1.00 0.00 C ATOM 586 SD MET B 38 3.620 2.722 8.906 1.00 0.00 S ATOM 587 CE MET B 38 4.361 3.169 7.342 1.00 0.00 C ATOM 0 H MET B 38 1.372 -1.583 10.742 1.00 0.00 H new ATOM 0 HA MET B 38 3.294 -1.333 8.490 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.312 0.691 10.114 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.780 0.221 10.948 1.00 0.00 H new ATOM 0 HG2 MET B 38 5.153 0.920 9.246 1.00 0.00 H new ATOM 0 HG3 MET B 38 3.987 0.544 7.993 1.00 0.00 H new ATOM 0 HE1 MET B 38 5.062 3.990 7.493 1.00 0.00 H new ATOM 0 HE2 MET B 38 4.891 2.310 6.932 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.582 3.481 6.646 1.00 0.00 H new ATOM 597 N LYS B 39 5.095 -2.561 9.705 1.00 0.00 N ATOM 598 CA LYS B 39 6.006 -3.513 10.326 1.00 0.00 C ATOM 599 C LYS B 39 7.447 -3.206 9.925 1.00 0.00 C ATOM 600 O LYS B 39 7.729 -2.930 8.760 1.00 0.00 O ATOM 601 CB LYS B 39 5.615 -4.941 9.915 1.00 0.00 C ATOM 602 CG LYS B 39 5.959 -6.014 10.939 1.00 0.00 C ATOM 603 CD LYS B 39 7.444 -6.321 10.978 1.00 0.00 C ATOM 604 CE LYS B 39 7.787 -7.284 12.101 1.00 0.00 C ATOM 605 NZ LYS B 39 7.043 -8.566 11.987 1.00 0.00 N ATOM 0 H LYS B 39 5.386 -2.231 8.785 1.00 0.00 H new ATOM 0 HA LYS B 39 5.934 -3.428 11.410 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.542 -4.969 9.726 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.111 -5.183 8.975 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.632 -5.688 11.926 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.408 -6.925 10.705 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.753 -6.749 10.024 1.00 0.00 H new ATOM 0 HD3 LYS B 39 8.004 -5.395 11.108 1.00 0.00 H new ATOM 0 HE2 LYS B 39 8.858 -7.485 12.091 1.00 0.00 H new ATOM 0 HE3 LYS B 39 7.560 -6.818 13.060 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 7.416 -9.247 12.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 6.034 -8.400 12.175 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 7.158 -8.950 11.027 1.00 0.00 H new ATOM 619 N ARG B 40 8.351 -3.242 10.895 1.00 0.00 N ATOM 620 CA ARG B 40 9.753 -2.929 10.651 1.00 0.00 C ATOM 621 C ARG B 40 10.573 -4.196 10.456 1.00 0.00 C ATOM 622 O ARG B 40 10.425 -5.166 11.201 1.00 0.00 O ATOM 623 CB ARG B 40 10.344 -2.113 11.807 1.00 0.00 C ATOM 624 CG ARG B 40 9.936 -0.645 11.818 1.00 0.00 C ATOM 625 CD ARG B 40 8.447 -0.466 12.065 1.00 0.00 C ATOM 626 NE ARG B 40 8.037 -1.014 13.360 1.00 0.00 N ATOM 627 CZ ARG B 40 6.823 -0.852 13.892 1.00 0.00 C ATOM 628 NH1 ARG B 40 5.901 -0.138 13.257 1.00 0.00 N ATOM 629 NH2 ARG B 40 6.537 -1.396 15.066 1.00 0.00 N ATOM 0 H ARG B 40 8.137 -3.486 11.862 1.00 0.00 H new ATOM 0 HA ARG B 40 9.797 -2.336 9.738 1.00 0.00 H new ATOM 0 HB2 ARG B 40 10.040 -2.569 12.749 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.431 -2.174 11.760 1.00 0.00 H new ATOM 0 HG2 ARG B 40 10.497 -0.119 12.591 1.00 0.00 H new ATOM 0 HG3 ARG B 40 10.202 -0.188 10.865 1.00 0.00 H new ATOM 0 HD2 ARG B 40 8.197 0.594 12.024 1.00 0.00 H new ATOM 0 HD3 ARG B 40 7.886 -0.956 11.270 1.00 0.00 H new ATOM 0 HE ARG B 40 8.722 -1.554 13.889 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.118 0.291 12.357 1.00 0.00 H new ATOM 0 HH12 ARG B 40 4.976 -0.018 13.669 1.00 0.00 H new ATOM 0 HH21 ARG B 40 7.244 -1.938 15.563 1.00 0.00 H new ATOM 0 HH22 ARG B 40 5.610 -1.273 15.473 1.00 0.00 H new ATOM 643 N PHE B 41 11.433 -4.177 9.451 1.00 0.00 N ATOM 644 CA PHE B 41 12.325 -5.299 9.172 1.00 0.00 C ATOM 645 C PHE B 41 13.776 -4.868 9.299 1.00 0.00 C ATOM 646 O PHE B 41 14.125 -3.724 8.997 1.00 0.00 O ATOM 647 CB PHE B 41 12.082 -5.869 7.771 1.00 0.00 C ATOM 648 CG PHE B 41 10.834 -6.695 7.655 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.584 -6.106 7.708 1.00 0.00 C ATOM 650 CD2 PHE B 41 10.917 -8.067 7.493 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.440 -6.871 7.605 1.00 0.00 C ATOM 652 CE2 PHE B 41 9.777 -8.838 7.387 1.00 0.00 C ATOM 653 CZ PHE B 41 8.535 -8.238 7.445 1.00 0.00 C ATOM 0 H PHE B 41 11.535 -3.392 8.808 1.00 0.00 H new ATOM 0 HA PHE B 41 12.112 -6.078 9.905 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.027 -5.045 7.059 1.00 0.00 H new ATOM 0 HB3 PHE B 41 12.938 -6.481 7.485 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.502 -5.036 7.831 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.887 -8.541 7.449 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.470 -6.399 7.650 1.00 0.00 H new ATOM 0 HE2 PHE B 41 9.856 -9.907 7.259 1.00 0.00 H new ATOM 0 HZ PHE B 41 7.640 -8.837 7.365 1.00 0.00 H new ATOM 663 N LYS B 42 14.623 -5.787 9.729 1.00 0.00 N ATOM 664 CA LYS B 42 16.034 -5.497 9.915 1.00 0.00 C ATOM 665 C LYS B 42 16.891 -6.603 9.308 1.00 0.00 C ATOM 666 O LYS B 42 16.787 -7.768 9.689 1.00 0.00 O ATOM 667 CB LYS B 42 16.349 -5.314 11.404 1.00 0.00 C ATOM 668 CG LYS B 42 15.910 -6.477 12.282 1.00 0.00 C ATOM 669 CD LYS B 42 16.102 -6.162 13.755 1.00 0.00 C ATOM 670 CE LYS B 42 15.693 -7.330 14.633 1.00 0.00 C ATOM 671 NZ LYS B 42 15.735 -6.978 16.077 1.00 0.00 N ATOM 0 H LYS B 42 14.356 -6.745 9.957 1.00 0.00 H new ATOM 0 HA LYS B 42 16.270 -4.566 9.400 1.00 0.00 H new ATOM 0 HB2 LYS B 42 17.423 -5.170 11.522 1.00 0.00 H new ATOM 0 HB3 LYS B 42 15.865 -4.404 11.757 1.00 0.00 H new ATOM 0 HG2 LYS B 42 14.861 -6.704 12.091 1.00 0.00 H new ATOM 0 HG3 LYS B 42 16.482 -7.368 12.021 1.00 0.00 H new ATOM 0 HD2 LYS B 42 17.147 -5.914 13.942 1.00 0.00 H new ATOM 0 HD3 LYS B 42 15.514 -5.283 14.020 1.00 0.00 H new ATOM 0 HE2 LYS B 42 14.686 -7.650 14.366 1.00 0.00 H new ATOM 0 HE3 LYS B 42 16.356 -8.175 14.446 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 15.449 -7.802 16.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 16.702 -6.697 16.338 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 15.084 -6.188 16.261 1.00 0.00 H new ATOM 685 N GLY B 43 17.719 -6.230 8.347 1.00 0.00 N ATOM 686 CA GLY B 43 18.549 -7.202 7.669 1.00 0.00 C ATOM 687 C GLY B 43 17.790 -7.946 6.590 1.00 0.00 C ATOM 688 O GLY B 43 18.115 -9.087 6.265 1.00 0.00 O ATOM 0 H GLY B 43 17.832 -5.269 8.023 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.408 -6.698 7.226 1.00 0.00 H new ATOM 0 HA3 GLY B 43 18.938 -7.915 8.395 1.00 0.00 H new ATOM 692 N ALA B 44 16.768 -7.302 6.041 1.00 0.00 N ATOM 693 CA ALA B 44 15.974 -7.895 4.977 1.00 0.00 C ATOM 694 C ALA B 44 16.046 -7.035 3.723 1.00 0.00 C ATOM 695 O ALA B 44 16.573 -5.921 3.759 1.00 0.00 O ATOM 696 CB ALA B 44 14.531 -8.069 5.428 1.00 0.00 C ATOM 0 H ALA B 44 16.470 -6.366 6.317 1.00 0.00 H new ATOM 0 HA ALA B 44 16.381 -8.879 4.743 1.00 0.00 H new ATOM 0 HB1 ALA B 44 13.949 -8.514 4.621 1.00 0.00 H new ATOM 0 HB2 ALA B 44 14.499 -8.721 6.301 1.00 0.00 H new ATOM 0 HB3 ALA B 44 14.111 -7.097 5.685 1.00 0.00 H new ATOM 702 N ALA B 45 15.514 -7.549 2.619 1.00 0.00 N ATOM 703 CA ALA B 45 15.504 -6.818 1.355 1.00 0.00 C ATOM 704 C ALA B 45 14.621 -5.575 1.449 1.00 0.00 C ATOM 705 O ALA B 45 14.669 -4.695 0.592 1.00 0.00 O ATOM 706 CB ALA B 45 15.033 -7.726 0.229 1.00 0.00 C ATOM 0 H ALA B 45 15.083 -8.472 2.573 1.00 0.00 H new ATOM 0 HA ALA B 45 16.521 -6.490 1.139 1.00 0.00 H new ATOM 0 HB1 ALA B 45 15.029 -7.171 -0.709 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.707 -8.579 0.143 1.00 0.00 H new ATOM 0 HB3 ALA B 45 14.025 -8.080 0.445 1.00 0.00 H new ATOM 712 N TYR B 46 13.815 -5.525 2.499 1.00 0.00 N ATOM 713 CA TYR B 46 12.965 -4.390 2.784 1.00 0.00 C ATOM 714 C TYR B 46 13.111 -4.032 4.252 1.00 0.00 C ATOM 715 O TYR B 46 13.344 -4.904 5.089 1.00 0.00 O ATOM 716 CB TYR B 46 11.507 -4.715 2.436 1.00 0.00 C ATOM 717 CG TYR B 46 11.168 -6.176 2.601 1.00 0.00 C ATOM 718 CD1 TYR B 46 10.949 -6.724 3.856 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.095 -7.015 1.495 1.00 0.00 C ATOM 720 CE1 TYR B 46 10.665 -8.065 4.007 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.816 -8.358 1.639 1.00 0.00 C ATOM 722 CZ TYR B 46 10.602 -8.877 2.898 1.00 0.00 C ATOM 723 OH TYR B 46 10.329 -10.213 3.050 1.00 0.00 O ATOM 0 H TYR B 46 13.735 -6.280 3.180 1.00 0.00 H new ATOM 0 HA TYR B 46 13.264 -3.537 2.175 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.848 -4.122 3.070 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.311 -4.417 1.406 1.00 0.00 H new ATOM 0 HD1 TYR B 46 11.002 -6.090 4.729 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.259 -6.609 0.508 1.00 0.00 H new ATOM 0 HE1 TYR B 46 10.493 -8.476 4.991 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.766 -8.999 0.771 1.00 0.00 H new ATOM 0 HH TYR B 46 10.938 -10.737 2.489 1.00 0.00 H new ATOM 733 N LYS B 47 13.018 -2.753 4.553 1.00 0.00 N ATOM 734 CA LYS B 47 13.201 -2.268 5.912 1.00 0.00 C ATOM 735 C LYS B 47 11.850 -2.000 6.546 1.00 0.00 C ATOM 736 O LYS B 47 11.711 -1.983 7.769 1.00 0.00 O ATOM 737 CB LYS B 47 14.048 -0.984 5.936 1.00 0.00 C ATOM 738 CG LYS B 47 15.493 -1.161 5.467 1.00 0.00 C ATOM 739 CD LYS B 47 15.594 -1.424 3.969 1.00 0.00 C ATOM 740 CE LYS B 47 15.120 -0.238 3.143 1.00 0.00 C ATOM 741 NZ LYS B 47 14.971 -0.595 1.710 1.00 0.00 N ATOM 0 H LYS B 47 12.815 -2.023 3.871 1.00 0.00 H new ATOM 0 HA LYS B 47 13.729 -3.035 6.479 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.566 -0.235 5.307 1.00 0.00 H new ATOM 0 HB3 LYS B 47 14.056 -0.590 6.952 1.00 0.00 H new ATOM 0 HG2 LYS B 47 16.064 -0.266 5.714 1.00 0.00 H new ATOM 0 HG3 LYS B 47 15.948 -1.990 6.009 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.628 -1.654 3.711 1.00 0.00 H new ATOM 0 HD3 LYS B 47 15.000 -2.302 3.715 1.00 0.00 H new ATOM 0 HE2 LYS B 47 14.166 0.118 3.531 1.00 0.00 H new ATOM 0 HE3 LYS B 47 15.831 0.583 3.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 14.712 0.253 1.166 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 15.870 -0.975 1.352 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.226 -1.313 1.607 1.00 0.00 H new ATOM 755 N LEU B 48 10.857 -1.796 5.702 1.00 0.00 N ATOM 756 CA LEU B 48 9.513 -1.506 6.164 1.00 0.00 C ATOM 757 C LEU B 48 8.491 -2.277 5.332 1.00 0.00 C ATOM 758 O LEU B 48 8.600 -2.349 4.108 1.00 0.00 O ATOM 759 CB LEU B 48 9.249 0.004 6.068 1.00 0.00 C ATOM 760 CG LEU B 48 8.460 0.627 7.230 1.00 0.00 C ATOM 761 CD1 LEU B 48 7.073 0.030 7.340 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.203 0.451 8.539 1.00 0.00 C ATOM 0 H LEU B 48 10.957 -1.826 4.687 1.00 0.00 H new ATOM 0 HA LEU B 48 9.417 -1.818 7.204 1.00 0.00 H new ATOM 0 HB2 LEU B 48 10.208 0.516 5.991 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.708 0.200 5.142 1.00 0.00 H new ATOM 0 HG LEU B 48 8.358 1.692 7.021 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.542 0.493 8.172 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.525 0.210 6.415 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.152 -1.043 7.512 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.626 0.900 9.348 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.342 -0.612 8.738 1.00 0.00 H new ATOM 0 HD23 LEU B 48 10.176 0.938 8.474 1.00 0.00 H new ATOM 774 N ARG B 49 7.521 -2.871 6.008 1.00 0.00 N ATOM 775 CA ARG B 49 6.420 -3.545 5.339 1.00 0.00 C ATOM 776 C ARG B 49 5.104 -2.902 5.750 1.00 0.00 C ATOM 777 O ARG B 49 4.841 -2.712 6.937 1.00 0.00 O ATOM 778 CB ARG B 49 6.393 -5.031 5.696 1.00 0.00 C ATOM 779 CG ARG B 49 5.424 -5.840 4.848 1.00 0.00 C ATOM 780 CD ARG B 49 5.217 -7.239 5.407 1.00 0.00 C ATOM 781 NE ARG B 49 4.436 -7.223 6.643 1.00 0.00 N ATOM 782 CZ ARG B 49 3.895 -8.308 7.200 1.00 0.00 C ATOM 783 NH1 ARG B 49 4.058 -9.501 6.645 1.00 0.00 N ATOM 784 NH2 ARG B 49 3.186 -8.195 8.314 1.00 0.00 N ATOM 0 H ARG B 49 7.474 -2.900 7.027 1.00 0.00 H new ATOM 0 HA ARG B 49 6.560 -3.449 4.262 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.396 -5.443 5.581 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.123 -5.140 6.746 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.466 -5.323 4.798 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.803 -5.908 3.828 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.709 -7.855 4.665 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.186 -7.701 5.596 1.00 0.00 H new ATOM 0 HE ARG B 49 4.296 -6.326 7.109 1.00 0.00 H new ATOM 0 HH11 ARG B 49 4.600 -9.594 5.786 1.00 0.00 H new ATOM 0 HH12 ARG B 49 3.641 -10.326 7.077 1.00 0.00 H new ATOM 0 HH21 ARG B 49 3.055 -7.280 8.744 1.00 0.00 H new ATOM 0 HH22 ARG B 49 2.772 -9.023 8.741 1.00 0.00 H new ATOM 798 N ILE B 50 4.293 -2.547 4.771 1.00 0.00 N ATOM 799 CA ILE B 50 2.997 -1.948 5.040 1.00 0.00 C ATOM 800 C ILE B 50 1.918 -2.791 4.376 1.00 0.00 C ATOM 801 O ILE B 50 2.043 -3.163 3.210 1.00 0.00 O ATOM 802 CB ILE B 50 2.878 -0.477 4.538 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.030 0.412 5.030 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.564 0.125 5.005 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.372 0.136 4.390 1.00 0.00 C ATOM 0 H ILE B 50 4.508 -2.663 3.781 1.00 0.00 H new ATOM 0 HA ILE B 50 2.875 -1.922 6.123 1.00 0.00 H new ATOM 0 HB ILE B 50 2.922 -0.513 3.450 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.766 1.454 4.850 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.127 0.290 6.109 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.488 1.153 4.650 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.734 -0.459 4.606 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.525 0.113 6.094 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.119 0.814 4.803 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.666 -0.894 4.592 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.300 0.289 3.313 1.00 0.00 H new ATOM 817 N LEU B 51 0.878 -3.112 5.124 1.00 0.00 N ATOM 818 CA LEU B 51 -0.199 -3.936 4.619 1.00 0.00 C ATOM 819 C LEU B 51 -1.478 -3.130 4.569 1.00 0.00 C ATOM 820 O LEU B 51 -1.957 -2.662 5.597 1.00 0.00 O ATOM 821 CB LEU B 51 -0.390 -5.165 5.512 1.00 0.00 C ATOM 822 CG LEU B 51 0.203 -6.472 4.983 1.00 0.00 C ATOM 823 CD1 LEU B 51 -0.506 -6.891 3.712 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.696 -6.336 4.735 1.00 0.00 C ATOM 0 H LEU B 51 0.759 -2.810 6.091 1.00 0.00 H new ATOM 0 HA LEU B 51 0.054 -4.271 3.613 1.00 0.00 H new ATOM 0 HB2 LEU B 51 0.053 -4.955 6.486 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.458 -5.312 5.672 1.00 0.00 H new ATOM 0 HG LEU B 51 0.057 -7.242 5.741 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -0.075 -7.823 3.345 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.566 -7.038 3.918 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -0.388 -6.114 2.956 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.090 -7.280 4.360 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.873 -5.551 4.000 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.198 -6.079 5.668 1.00 0.00 H new ATOM 836 N ILE B 52 -2.011 -2.942 3.377 1.00 0.00 N ATOM 837 CA ILE B 52 -3.255 -2.216 3.218 1.00 0.00 C ATOM 838 C ILE B 52 -4.291 -3.114 2.566 1.00 0.00 C ATOM 839 O ILE B 52 -4.252 -3.351 1.361 1.00 0.00 O ATOM 840 CB ILE B 52 -3.093 -0.936 2.365 1.00 0.00 C ATOM 841 CG1 ILE B 52 -1.951 -0.059 2.885 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.390 -0.145 2.352 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.597 -0.422 2.315 1.00 0.00 C ATOM 0 H ILE B 52 -1.602 -3.282 2.506 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.576 -1.913 4.215 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.848 -1.242 1.348 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.168 0.983 2.648 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.911 -0.137 3.971 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.262 0.753 1.748 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.185 -0.757 1.927 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.654 0.137 3.371 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.162 0.242 2.729 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.358 -1.453 2.574 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.619 -0.316 1.230 1.00 0.00 H new ATOM 855 N GLU B 53 -5.208 -3.623 3.362 1.00 0.00 N ATOM 856 CA GLU B 53 -6.237 -4.507 2.849 1.00 0.00 C ATOM 857 C GLU B 53 -7.581 -3.804 2.855 1.00 0.00 C ATOM 858 O GLU B 53 -7.813 -2.890 3.647 1.00 0.00 O ATOM 859 CB GLU B 53 -6.305 -5.790 3.673 1.00 0.00 C ATOM 860 CG GLU B 53 -6.820 -5.575 5.083 1.00 0.00 C ATOM 861 CD GLU B 53 -6.728 -6.820 5.938 1.00 0.00 C ATOM 862 OE1 GLU B 53 -5.612 -7.162 6.380 1.00 0.00 O ATOM 863 OE2 GLU B 53 -7.771 -7.463 6.173 1.00 0.00 O ATOM 0 H GLU B 53 -5.263 -3.441 4.364 1.00 0.00 H new ATOM 0 HA GLU B 53 -5.984 -4.773 1.823 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -6.950 -6.506 3.164 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -5.311 -6.235 3.721 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.251 -4.774 5.554 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -7.858 -5.246 5.039 1.00 0.00 H new ATOM 870 N ASN B 54 -8.453 -4.226 1.965 1.00 0.00 N ATOM 871 CA ASN B 54 -9.773 -3.632 1.849 1.00 0.00 C ATOM 872 C ASN B 54 -10.793 -4.489 2.583 1.00 0.00 C ATOM 873 O ASN B 54 -11.056 -5.625 2.194 1.00 0.00 O ATOM 874 CB ASN B 54 -10.169 -3.502 0.376 1.00 0.00 C ATOM 875 CG ASN B 54 -11.238 -2.445 0.126 1.00 0.00 C ATOM 876 OD1 ASN B 54 -11.282 -1.840 -0.943 1.00 0.00 O ATOM 877 ND2 ASN B 54 -12.106 -2.207 1.098 1.00 0.00 N ATOM 0 H ASN B 54 -8.273 -4.983 1.306 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.750 -2.638 2.297 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.283 -3.257 -0.210 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.532 -4.466 0.019 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -12.836 -1.506 0.970 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -12.045 -2.725 1.975 1.00 0.00 H new ATOM 884 N LYS B 55 -11.355 -3.941 3.648 1.00 0.00 N ATOM 885 CA LYS B 55 -12.376 -4.634 4.417 1.00 0.00 C ATOM 886 C LYS B 55 -13.545 -3.701 4.719 1.00 0.00 C ATOM 887 O LYS B 55 -13.546 -2.978 5.712 1.00 0.00 O ATOM 888 CB LYS B 55 -11.784 -5.178 5.721 1.00 0.00 C ATOM 889 CG LYS B 55 -10.858 -4.198 6.425 1.00 0.00 C ATOM 890 CD LYS B 55 -10.756 -4.474 7.917 1.00 0.00 C ATOM 891 CE LYS B 55 -11.927 -3.870 8.686 1.00 0.00 C ATOM 892 NZ LYS B 55 -13.202 -4.599 8.464 1.00 0.00 N ATOM 0 H LYS B 55 -11.120 -3.013 4.001 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.744 -5.471 3.823 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.597 -5.445 6.396 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -11.234 -6.094 5.506 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.865 -4.254 5.978 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.221 -3.182 6.269 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -10.726 -5.550 8.086 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.821 -4.065 8.299 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -11.695 -3.871 9.751 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -12.053 -2.829 8.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -13.846 -4.422 9.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -13.643 -4.267 7.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -13.011 -5.619 8.393 1.00 0.00 H new ATOM 906 N ALA B 56 -14.542 -3.742 3.854 1.00 0.00 N ATOM 907 CA ALA B 56 -15.738 -2.925 3.996 1.00 0.00 C ATOM 908 C ALA B 56 -16.974 -3.761 3.680 1.00 0.00 C ATOM 909 O ALA B 56 -16.839 -4.826 3.080 1.00 0.00 O ATOM 910 CB ALA B 56 -15.653 -1.713 3.077 1.00 0.00 C ATOM 0 H ALA B 56 -14.547 -4.344 3.030 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.814 -2.570 5.024 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.552 -1.107 3.190 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.779 -1.117 3.340 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.567 -2.046 2.043 1.00 0.00 H new ATOM 1027 N PHE B 64 -5.945 1.660 -8.136 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.773 1.825 -7.301 1.00 0.00 C ATOM 1029 C PHE B 64 -3.694 2.547 -8.082 1.00 0.00 C ATOM 1030 O PHE B 64 -3.141 2.007 -9.041 1.00 0.00 O ATOM 1031 CB PHE B 64 -4.255 0.473 -6.808 1.00 0.00 C ATOM 1032 CG PHE B 64 -5.074 -0.107 -5.693 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -4.808 0.242 -4.381 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -6.105 -0.996 -5.952 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -5.556 -0.281 -3.345 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -6.857 -1.523 -4.920 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.581 -1.166 -3.615 1.00 0.00 C ATOM 0 HA PHE B 64 -5.047 2.417 -6.428 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -4.241 -0.229 -7.642 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.225 0.588 -6.471 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -4.006 0.932 -4.165 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -6.323 -1.280 -6.971 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -5.340 0.002 -2.325 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -7.660 -2.213 -5.134 1.00 0.00 H new ATOM 0 HZ PHE B 64 -7.166 -1.578 -2.806 1.00 0.00 H new ATOM 1047 N SER B 65 -3.409 3.772 -7.682 1.00 0.00 N ATOM 1048 CA SER B 65 -2.429 4.578 -8.378 1.00 0.00 C ATOM 1049 C SER B 65 -1.466 5.195 -7.369 1.00 0.00 C ATOM 1050 O SER B 65 -1.569 6.375 -7.033 1.00 0.00 O ATOM 1051 CB SER B 65 -3.157 5.665 -9.176 1.00 0.00 C ATOM 1052 OG SER B 65 -2.283 6.361 -10.045 1.00 0.00 O ATOM 0 H SER B 65 -3.843 4.229 -6.880 1.00 0.00 H new ATOM 0 HA SER B 65 -1.852 3.961 -9.067 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.960 5.212 -9.757 1.00 0.00 H new ATOM 0 HB3 SER B 65 -3.621 6.371 -8.487 1.00 0.00 H new ATOM 0 HG SER B 65 -2.786 7.044 -10.536 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.506 4.398 -6.882 1.00 0.00 N ATOM 1059 CA PRO B 66 0.457 4.843 -5.880 1.00 0.00 C ATOM 1060 C PRO B 66 1.621 5.639 -6.462 1.00 0.00 C ATOM 1061 O PRO B 66 2.009 5.461 -7.620 1.00 0.00 O ATOM 1062 CB PRO B 66 0.955 3.533 -5.279 1.00 0.00 C ATOM 1063 CG PRO B 66 0.849 2.545 -6.387 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.315 2.978 -7.237 1.00 0.00 C ATOM 0 HA PRO B 66 0.000 5.526 -5.163 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.982 3.624 -4.927 1.00 0.00 H new ATOM 0 HB3 PRO B 66 0.350 3.235 -4.423 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.768 2.519 -6.972 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.691 1.540 -5.996 1.00 0.00 H new ATOM 0 HD2 PRO B 66 -0.101 2.857 -8.299 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.207 2.389 -7.023 1.00 0.00 H new ATOM 1072 N SER B 67 2.164 6.529 -5.650 1.00 0.00 N ATOM 1073 CA SER B 67 3.325 7.325 -6.028 1.00 0.00 C ATOM 1074 C SER B 67 4.066 7.790 -4.783 1.00 0.00 C ATOM 1075 O SER B 67 3.460 7.983 -3.726 1.00 0.00 O ATOM 1076 CB SER B 67 2.921 8.541 -6.863 1.00 0.00 C ATOM 1077 OG SER B 67 2.095 8.173 -7.955 1.00 0.00 O ATOM 0 H SER B 67 1.815 6.722 -4.711 1.00 0.00 H new ATOM 0 HA SER B 67 3.977 6.695 -6.632 1.00 0.00 H new ATOM 0 HB2 SER B 67 2.394 9.257 -6.233 1.00 0.00 H new ATOM 0 HB3 SER B 67 3.815 9.041 -7.235 1.00 0.00 H new ATOM 0 HG SER B 67 1.157 8.346 -7.729 1.00 0.00 H new ATOM 1083 N TYR B 68 5.368 7.970 -4.913 1.00 0.00 N ATOM 1084 CA TYR B 68 6.196 8.397 -3.801 1.00 0.00 C ATOM 1085 C TYR B 68 6.645 9.837 -3.987 1.00 0.00 C ATOM 1086 O TYR B 68 7.238 10.187 -5.008 1.00 0.00 O ATOM 1087 CB TYR B 68 7.417 7.484 -3.662 1.00 0.00 C ATOM 1088 CG TYR B 68 8.451 7.999 -2.688 1.00 0.00 C ATOM 1089 CD1 TYR B 68 8.156 8.142 -1.338 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.718 8.356 -3.125 1.00 0.00 C ATOM 1091 CE1 TYR B 68 9.096 8.633 -0.453 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.664 8.842 -2.241 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.346 8.983 -0.909 1.00 0.00 C ATOM 1094 OH TYR B 68 11.281 9.484 -0.031 1.00 0.00 O ATOM 0 H TYR B 68 5.877 7.826 -5.785 1.00 0.00 H new ATOM 0 HA TYR B 68 5.600 8.332 -2.891 1.00 0.00 H new ATOM 0 HB2 TYR B 68 7.087 6.497 -3.340 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.881 7.361 -4.640 1.00 0.00 H new ATOM 0 HD1 TYR B 68 7.177 7.865 -0.975 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.969 8.253 -4.170 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.851 8.742 0.593 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.649 9.110 -2.594 1.00 0.00 H new ATOM 0 HH TYR B 68 12.111 9.680 -0.514 1.00 0.00 H new ATOM 1104 N ASN B 69 6.353 10.669 -3.005 1.00 0.00 N ATOM 1105 CA ASN B 69 6.801 12.051 -3.025 1.00 0.00 C ATOM 1106 C ASN B 69 7.983 12.243 -2.086 1.00 0.00 C ATOM 1107 O ASN B 69 7.848 12.150 -0.868 1.00 0.00 O ATOM 1108 CB ASN B 69 5.657 13.016 -2.680 1.00 0.00 C ATOM 1109 CG ASN B 69 4.797 12.559 -1.517 1.00 0.00 C ATOM 1110 OD1 ASN B 69 3.846 11.802 -1.696 1.00 0.00 O ATOM 1111 ND2 ASN B 69 5.100 13.039 -0.325 1.00 0.00 N ATOM 0 H ASN B 69 5.807 10.413 -2.182 1.00 0.00 H new ATOM 0 HA ASN B 69 7.128 12.284 -4.038 1.00 0.00 H new ATOM 0 HB2 ASN B 69 6.078 13.994 -2.446 1.00 0.00 H new ATOM 0 HB3 ASN B 69 5.025 13.143 -3.559 1.00 0.00 H new ATOM 0 HD21 ASN B 69 4.537 12.783 0.486 1.00 0.00 H new ATOM 0 HD22 ASN B 69 5.898 13.665 -0.215 1.00 0.00 H new ATOM 1118 N PHE B 70 9.145 12.520 -2.680 1.00 0.00 N ATOM 1119 CA PHE B 70 10.396 12.677 -1.937 1.00 0.00 C ATOM 1120 C PHE B 70 10.296 13.837 -0.963 1.00 0.00 C ATOM 1121 O PHE B 70 10.878 13.808 0.118 1.00 0.00 O ATOM 1122 CB PHE B 70 11.567 12.939 -2.894 1.00 0.00 C ATOM 1123 CG PHE B 70 11.888 11.800 -3.819 1.00 0.00 C ATOM 1124 CD1 PHE B 70 11.196 11.637 -5.007 1.00 0.00 C ATOM 1125 CD2 PHE B 70 12.894 10.901 -3.503 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.498 10.596 -5.862 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.202 9.858 -4.356 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.502 9.704 -5.537 1.00 0.00 C ATOM 0 H PHE B 70 9.245 12.642 -3.688 1.00 0.00 H new ATOM 0 HA PHE B 70 10.572 11.751 -1.389 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.340 13.822 -3.492 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.454 13.173 -2.306 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.411 12.332 -5.268 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.443 11.017 -2.580 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.949 10.479 -6.785 1.00 0.00 H new ATOM 0 HE2 PHE B 70 13.989 9.164 -4.100 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.739 8.889 -6.204 1.00 0.00 H new ATOM 1138 N ALA B 71 9.538 14.847 -1.366 1.00 0.00 N ATOM 1139 CA ALA B 71 9.380 16.067 -0.591 1.00 0.00 C ATOM 1140 C ALA B 71 8.935 15.772 0.836 1.00 0.00 C ATOM 1141 O ALA B 71 9.524 16.261 1.801 1.00 0.00 O ATOM 1142 CB ALA B 71 8.376 16.974 -1.279 1.00 0.00 C ATOM 0 H ALA B 71 9.015 14.842 -2.242 1.00 0.00 H new ATOM 0 HA ALA B 71 10.348 16.565 -0.534 1.00 0.00 H new ATOM 0 HB1 ALA B 71 8.256 17.889 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.734 17.221 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.416 16.463 -1.354 1.00 0.00 H new ATOM 1148 N GLU B 72 7.909 14.946 0.962 1.00 0.00 N ATOM 1149 CA GLU B 72 7.335 14.642 2.264 1.00 0.00 C ATOM 1150 C GLU B 72 7.634 13.205 2.652 1.00 0.00 C ATOM 1151 O GLU B 72 7.134 12.714 3.657 1.00 0.00 O ATOM 1152 CB GLU B 72 5.823 14.850 2.232 1.00 0.00 C ATOM 1153 CG GLU B 72 5.395 16.012 1.356 1.00 0.00 C ATOM 1154 CD GLU B 72 3.892 16.139 1.232 1.00 0.00 C ATOM 1155 OE1 GLU B 72 3.252 16.679 2.156 1.00 0.00 O ATOM 1156 OE2 GLU B 72 3.346 15.712 0.194 1.00 0.00 O ATOM 0 H GLU B 72 7.456 14.474 0.179 1.00 0.00 H new ATOM 0 HA GLU B 72 7.780 15.312 3.000 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.345 13.938 1.873 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.465 15.019 3.248 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.799 16.937 1.767 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.827 15.889 0.363 1.00 0.00 H new ATOM 1163 N ASN B 73 8.448 12.550 1.815 1.00 0.00 N ATOM 1164 CA ASN B 73 8.841 11.138 1.975 1.00 0.00 C ATOM 1165 C ASN B 73 7.628 10.242 2.236 1.00 0.00 C ATOM 1166 O ASN B 73 7.660 9.343 3.078 1.00 0.00 O ATOM 1167 CB ASN B 73 9.920 10.947 3.068 1.00 0.00 C ATOM 1168 CG ASN B 73 9.512 11.471 4.431 1.00 0.00 C ATOM 1169 OD1 ASN B 73 9.821 12.607 4.792 1.00 0.00 O ATOM 1170 ND2 ASN B 73 8.808 10.657 5.192 1.00 0.00 N ATOM 0 H ASN B 73 8.861 12.991 0.993 1.00 0.00 H new ATOM 0 HA ASN B 73 9.287 10.831 1.029 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.154 9.886 3.153 1.00 0.00 H new ATOM 0 HB3 ASN B 73 10.834 11.451 2.754 1.00 0.00 H new ATOM 0 HD21 ASN B 73 8.499 10.961 6.115 1.00 0.00 H new ATOM 0 HD22 ASN B 73 8.572 9.723 4.857 1.00 0.00 H new ATOM 1177 N ILE B 74 6.561 10.483 1.489 1.00 0.00 N ATOM 1178 CA ILE B 74 5.325 9.733 1.667 1.00 0.00 C ATOM 1179 C ILE B 74 4.957 8.951 0.408 1.00 0.00 C ATOM 1180 O ILE B 74 5.190 9.407 -0.714 1.00 0.00 O ATOM 1181 CB ILE B 74 4.181 10.688 2.069 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.484 11.269 3.449 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.829 9.983 2.062 1.00 0.00 C ATOM 1184 CD1 ILE B 74 3.708 12.514 3.778 1.00 0.00 C ATOM 0 H ILE B 74 6.525 11.190 0.755 1.00 0.00 H new ATOM 0 HA ILE B 74 5.481 9.009 2.467 1.00 0.00 H new ATOM 0 HB ILE B 74 4.120 11.493 1.336 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.272 10.512 4.204 1.00 0.00 H new ATOM 0 HG13 ILE B 74 5.549 11.491 3.511 1.00 0.00 H new ATOM 0 HG21 ILE B 74 2.049 10.688 2.350 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.622 9.602 1.062 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.847 9.154 2.769 1.00 0.00 H new ATOM 0 HD11 ILE B 74 3.982 12.861 4.774 1.00 0.00 H new ATOM 0 HD12 ILE B 74 3.938 13.290 3.048 1.00 0.00 H new ATOM 0 HD13 ILE B 74 2.641 12.295 3.751 1.00 0.00 H new ATOM 1196 N LEU B 75 4.410 7.762 0.614 1.00 0.00 N ATOM 1197 CA LEU B 75 3.961 6.904 -0.470 1.00 0.00 C ATOM 1198 C LEU B 75 2.434 6.865 -0.461 1.00 0.00 C ATOM 1199 O LEU B 75 1.829 6.186 0.363 1.00 0.00 O ATOM 1200 CB LEU B 75 4.565 5.494 -0.281 1.00 0.00 C ATOM 1201 CG LEU B 75 4.322 4.460 -1.398 1.00 0.00 C ATOM 1202 CD1 LEU B 75 2.915 3.887 -1.335 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.586 5.067 -2.764 1.00 0.00 C ATOM 0 H LEU B 75 4.265 7.365 1.542 1.00 0.00 H new ATOM 0 HA LEU B 75 4.292 7.288 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.642 5.604 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.174 5.082 0.649 1.00 0.00 H new ATOM 0 HG LEU B 75 5.023 3.641 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.781 3.162 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU B 75 2.765 3.396 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.189 4.692 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.408 4.318 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.919 5.915 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.621 5.405 -2.818 1.00 0.00 H new ATOM 1215 N TYR B 76 1.806 7.610 -1.355 1.00 0.00 N ATOM 1216 CA TYR B 76 0.352 7.658 -1.382 1.00 0.00 C ATOM 1217 C TYR B 76 -0.185 6.546 -2.273 1.00 0.00 C ATOM 1218 O TYR B 76 0.415 6.216 -3.295 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.147 9.040 -1.842 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.590 9.125 -3.289 1.00 0.00 C ATOM 1221 CD1 TYR B 76 0.314 9.412 -4.300 1.00 0.00 C ATOM 1222 CD2 TYR B 76 -1.924 8.933 -3.638 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -0.095 9.501 -5.618 1.00 0.00 C ATOM 1224 CE2 TYR B 76 -2.338 9.021 -4.954 1.00 0.00 C ATOM 1225 CZ TYR B 76 -1.419 9.306 -5.939 1.00 0.00 C ATOM 1226 OH TYR B 76 -1.822 9.390 -7.254 1.00 0.00 O ATOM 0 H TYR B 76 2.270 8.182 -2.061 1.00 0.00 H new ATOM 0 HA TYR B 76 -0.025 7.501 -0.371 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -0.982 9.336 -1.207 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.649 9.767 -1.681 1.00 0.00 H new ATOM 0 HD1 TYR B 76 1.354 9.569 -4.054 1.00 0.00 H new ATOM 0 HD2 TYR B 76 -2.648 8.712 -2.868 1.00 0.00 H new ATOM 0 HE1 TYR B 76 0.623 9.723 -6.394 1.00 0.00 H new ATOM 0 HE2 TYR B 76 -3.376 8.867 -5.208 1.00 0.00 H new ATOM 0 HH TYR B 76 -1.865 8.491 -7.641 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.304 5.961 -1.864 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.902 4.850 -2.592 1.00 0.00 C ATOM 1238 C ILE B 77 -2.993 5.350 -3.530 1.00 0.00 C ATOM 1239 O ILE B 77 -3.037 4.984 -4.705 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.502 3.807 -1.623 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.414 3.221 -0.715 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -3.207 2.702 -2.395 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.307 2.508 -1.464 1.00 0.00 C ATOM 0 H ILE B 77 -1.817 6.240 -1.028 1.00 0.00 H new ATOM 0 HA ILE B 77 -1.111 4.376 -3.174 1.00 0.00 H new ATOM 0 HB ILE B 77 -3.237 4.309 -0.994 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.978 4.025 -0.121 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.875 2.523 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.623 1.977 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -4.011 3.132 -2.993 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.493 2.204 -3.051 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.423 2.122 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.729 1.682 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.182 3.207 -2.143 1.00 0.00 H new ATOM 1255 N ASN B 78 -3.880 6.172 -2.994 1.00 0.00 N ATOM 1256 CA ASN B 78 -4.948 6.776 -3.772 1.00 0.00 C ATOM 1257 C ASN B 78 -5.570 7.920 -2.983 1.00 0.00 C ATOM 1258 O ASN B 78 -5.017 8.337 -1.964 1.00 0.00 O ATOM 1259 CB ASN B 78 -6.012 5.736 -4.166 1.00 0.00 C ATOM 1260 CG ASN B 78 -6.478 4.874 -3.005 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -6.448 5.293 -1.846 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -6.922 3.662 -3.312 1.00 0.00 N ATOM 0 H ASN B 78 -3.880 6.439 -2.009 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.525 7.170 -4.696 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -6.872 6.252 -4.593 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -5.607 5.092 -4.947 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -7.255 3.039 -2.576 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -6.930 3.353 -4.284 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.708 8.424 -3.437 1.00 0.00 N ATOM 1270 CA GLY B 79 -7.363 9.517 -2.741 1.00 0.00 C ATOM 1271 C GLY B 79 -7.991 9.091 -1.423 1.00 0.00 C ATOM 1272 O GLY B 79 -8.487 9.925 -0.663 1.00 0.00 O ATOM 0 H GLY B 79 -7.191 8.097 -4.274 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -6.637 10.307 -2.552 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -8.134 9.940 -3.385 1.00 0.00 H new ATOM 1276 N LYS B 80 -7.952 7.794 -1.136 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.576 7.259 0.061 1.00 0.00 C ATOM 1278 C LYS B 80 -7.609 7.347 1.222 1.00 0.00 C ATOM 1279 O LYS B 80 -7.993 7.671 2.346 1.00 0.00 O ATOM 1280 CB LYS B 80 -8.987 5.802 -0.155 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.767 5.577 -1.437 1.00 0.00 C ATOM 1282 CD LYS B 80 -11.089 6.329 -1.420 1.00 0.00 C ATOM 1283 CE LYS B 80 -11.925 6.044 -2.658 1.00 0.00 C ATOM 1284 NZ LYS B 80 -13.199 6.818 -2.656 1.00 0.00 N ATOM 0 H LYS B 80 -7.493 7.095 -1.720 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.468 7.846 0.282 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -8.093 5.179 -0.169 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -9.591 5.474 0.691 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -9.171 5.904 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -9.954 4.511 -1.569 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -11.653 6.050 -0.530 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -10.896 7.400 -1.352 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -11.350 6.293 -3.550 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -12.147 4.978 -2.709 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -13.741 6.597 -3.516 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -13.759 6.562 -1.818 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -12.987 7.836 -2.633 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.348 7.057 0.941 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.320 7.098 1.966 1.00 0.00 C ATOM 1300 C LEU B 81 -3.912 7.177 1.384 1.00 0.00 C ATOM 1301 O LEU B 81 -3.658 6.769 0.245 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.443 5.901 2.919 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.712 4.534 2.276 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.568 4.101 1.376 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -5.943 3.500 3.353 1.00 0.00 C ATOM 0 H LEU B 81 -6.014 6.792 0.015 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.484 8.015 2.532 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.522 5.830 3.497 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.247 6.109 3.625 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.604 4.624 1.656 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -4.796 3.129 0.940 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.434 4.834 0.580 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.651 4.030 1.962 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.134 2.531 2.892 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.060 3.432 3.988 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.803 3.790 3.957 1.00 0.00 H new ATOM 1317 N SER B 82 -3.013 7.739 2.171 1.00 0.00 N ATOM 1318 CA SER B 82 -1.608 7.789 1.825 1.00 0.00 C ATOM 1319 C SER B 82 -0.788 7.139 2.937 1.00 0.00 C ATOM 1320 O SER B 82 -1.178 7.178 4.106 1.00 0.00 O ATOM 1321 CB SER B 82 -1.169 9.238 1.600 1.00 0.00 C ATOM 1322 OG SER B 82 -1.503 10.055 2.709 1.00 0.00 O ATOM 0 H SER B 82 -3.238 8.173 3.066 1.00 0.00 H new ATOM 0 HA SER B 82 -1.442 7.239 0.898 1.00 0.00 H new ATOM 0 HB2 SER B 82 -0.093 9.272 1.431 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.645 9.629 0.701 1.00 0.00 H new ATOM 0 HG SER B 82 -1.209 10.974 2.538 1.00 0.00 H new ATOM 1328 N ILE B 83 0.327 6.521 2.575 1.00 0.00 N ATOM 1329 CA ILE B 83 1.170 5.844 3.546 1.00 0.00 C ATOM 1330 C ILE B 83 2.427 6.662 3.826 1.00 0.00 C ATOM 1331 O ILE B 83 3.336 6.722 2.994 1.00 0.00 O ATOM 1332 CB ILE B 83 1.574 4.438 3.051 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.331 3.611 2.698 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.415 3.721 4.097 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.641 3.441 3.847 1.00 0.00 C ATOM 0 H ILE B 83 0.668 6.475 1.615 1.00 0.00 H new ATOM 0 HA ILE B 83 0.593 5.739 4.465 1.00 0.00 H new ATOM 0 HB ILE B 83 2.176 4.554 2.150 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.186 4.088 1.865 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.648 2.626 2.354 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.689 2.732 3.728 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.319 4.298 4.295 1.00 0.00 H new ATOM 0 HG23 ILE B 83 1.841 3.619 5.018 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.493 2.845 3.518 1.00 0.00 H new ATOM 0 HD12 ILE B 83 -0.142 2.935 4.674 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.989 4.420 4.177 1.00 0.00 H new ATOM 1347 N PRO B 84 2.491 7.320 4.991 1.00 0.00 N ATOM 1348 CA PRO B 84 3.656 8.106 5.374 1.00 0.00 C ATOM 1349 C PRO B 84 4.819 7.222 5.795 1.00 0.00 C ATOM 1350 O PRO B 84 4.658 6.297 6.592 1.00 0.00 O ATOM 1351 CB PRO B 84 3.158 8.945 6.545 1.00 0.00 C ATOM 1352 CG PRO B 84 2.052 8.146 7.145 1.00 0.00 C ATOM 1353 CD PRO B 84 1.437 7.353 6.022 1.00 0.00 C ATOM 0 HA PRO B 84 4.037 8.708 4.549 1.00 0.00 H new ATOM 0 HB2 PRO B 84 3.953 9.125 7.269 1.00 0.00 H new ATOM 0 HB3 PRO B 84 2.805 9.920 6.210 1.00 0.00 H new ATOM 0 HG2 PRO B 84 2.430 7.485 7.925 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.312 8.797 7.611 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.163 6.349 6.346 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.529 7.827 5.649 1.00 0.00 H new ATOM 1361 N LEU B 85 5.984 7.508 5.252 1.00 0.00 N ATOM 1362 CA LEU B 85 7.163 6.709 5.523 1.00 0.00 C ATOM 1363 C LEU B 85 8.026 7.393 6.572 1.00 0.00 C ATOM 1364 O LEU B 85 7.957 8.610 6.742 1.00 0.00 O ATOM 1365 CB LEU B 85 7.946 6.500 4.227 1.00 0.00 C ATOM 1366 CG LEU B 85 7.128 5.913 3.072 1.00 0.00 C ATOM 1367 CD1 LEU B 85 7.982 5.783 1.824 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.540 4.563 3.461 1.00 0.00 C ATOM 0 H LEU B 85 6.141 8.291 4.618 1.00 0.00 H new ATOM 0 HA LEU B 85 6.863 5.736 5.912 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.361 7.457 3.911 1.00 0.00 H new ATOM 0 HB3 LEU B 85 8.789 5.839 4.430 1.00 0.00 H new ATOM 0 HG LEU B 85 6.306 6.595 2.856 1.00 0.00 H new ATOM 0 HD11 LEU B 85 7.383 5.364 1.015 1.00 0.00 H new ATOM 0 HD12 LEU B 85 8.350 6.766 1.531 1.00 0.00 H new ATOM 0 HD13 LEU B 85 8.827 5.125 2.028 1.00 0.00 H new ATOM 0 HD21 LEU B 85 5.963 4.164 2.627 1.00 0.00 H new ATOM 0 HD22 LEU B 85 7.346 3.872 3.708 1.00 0.00 H new ATOM 0 HD23 LEU B 85 5.889 4.685 4.327 1.00 0.00 H new ATOM 1380 N PRO B 86 8.823 6.617 7.316 1.00 0.00 N ATOM 1381 CA PRO B 86 9.728 7.165 8.324 1.00 0.00 C ATOM 1382 C PRO B 86 10.865 7.962 7.699 1.00 0.00 C ATOM 1383 O PRO B 86 11.434 7.563 6.683 1.00 0.00 O ATOM 1384 CB PRO B 86 10.274 5.924 9.032 1.00 0.00 C ATOM 1385 CG PRO B 86 10.125 4.824 8.042 1.00 0.00 C ATOM 1386 CD PRO B 86 8.895 5.148 7.245 1.00 0.00 C ATOM 0 HA PRO B 86 9.220 7.860 8.992 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.317 6.059 9.319 1.00 0.00 H new ATOM 0 HB3 PRO B 86 9.717 5.712 9.945 1.00 0.00 H new ATOM 0 HG2 PRO B 86 11.001 4.758 7.397 1.00 0.00 H new ATOM 0 HG3 PRO B 86 10.024 3.861 8.542 1.00 0.00 H new ATOM 0 HD2 PRO B 86 8.979 4.799 6.216 1.00 0.00 H new ATOM 0 HD3 PRO B 86 8.006 4.681 7.669 1.00 0.00 H new ATOM 1394 N ARG B 87 11.207 9.079 8.326 1.00 0.00 N ATOM 1395 CA ARG B 87 12.246 9.964 7.805 1.00 0.00 C ATOM 1396 C ARG B 87 13.630 9.399 8.101 1.00 0.00 C ATOM 1397 O ARG B 87 14.641 9.921 7.631 1.00 0.00 O ATOM 1398 CB ARG B 87 12.131 11.378 8.396 1.00 0.00 C ATOM 1399 CG ARG B 87 10.965 12.200 7.855 1.00 0.00 C ATOM 1400 CD ARG B 87 9.627 11.705 8.375 1.00 0.00 C ATOM 1401 NE ARG B 87 8.505 12.452 7.808 1.00 0.00 N ATOM 1402 CZ ARG B 87 7.225 12.144 8.017 1.00 0.00 C ATOM 1403 NH1 ARG B 87 6.907 11.117 8.798 1.00 0.00 N ATOM 1404 NH2 ARG B 87 6.266 12.864 7.445 1.00 0.00 N ATOM 0 H ARG B 87 10.781 9.396 9.197 1.00 0.00 H new ATOM 0 HA ARG B 87 12.105 10.029 6.726 1.00 0.00 H new ATOM 0 HB2 ARG B 87 12.031 11.298 9.478 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.059 11.916 8.201 1.00 0.00 H new ATOM 0 HG2 ARG B 87 11.098 13.245 8.135 1.00 0.00 H new ATOM 0 HG3 ARG B 87 10.968 12.159 6.766 1.00 0.00 H new ATOM 0 HD2 ARG B 87 9.515 10.647 8.137 1.00 0.00 H new ATOM 0 HD3 ARG B 87 9.607 11.791 9.461 1.00 0.00 H new ATOM 0 HE ARG B 87 8.714 13.257 7.217 1.00 0.00 H new ATOM 0 HH11 ARG B 87 7.643 10.564 9.238 1.00 0.00 H new ATOM 0 HH12 ARG B 87 5.927 10.882 8.958 1.00 0.00 H new ATOM 0 HH21 ARG B 87 6.509 13.653 6.846 1.00 0.00 H new ATOM 0 HH22 ARG B 87 5.287 12.628 7.605 1.00 0.00 H new ATOM 1418 N ASP B 88 13.663 8.324 8.874 1.00 0.00 N ATOM 1419 CA ASP B 88 14.918 7.692 9.255 1.00 0.00 C ATOM 1420 C ASP B 88 15.371 6.721 8.172 1.00 0.00 C ATOM 1421 O ASP B 88 16.515 6.267 8.161 1.00 0.00 O ATOM 1422 CB ASP B 88 14.749 6.959 10.589 1.00 0.00 C ATOM 1423 CG ASP B 88 16.029 6.310 11.075 1.00 0.00 C ATOM 1424 OD1 ASP B 88 16.930 7.040 11.544 1.00 0.00 O ATOM 1425 OD2 ASP B 88 16.137 5.068 11.008 1.00 0.00 O ATOM 0 H ASP B 88 12.832 7.869 9.251 1.00 0.00 H new ATOM 0 HA ASP B 88 15.681 8.462 9.370 1.00 0.00 H new ATOM 0 HB2 ASP B 88 14.397 7.664 11.342 1.00 0.00 H new ATOM 0 HB3 ASP B 88 13.979 6.195 10.482 1.00 0.00 H new ATOM 1430 N ILE B 89 14.473 6.427 7.245 1.00 0.00 N ATOM 1431 CA ILE B 89 14.752 5.461 6.199 1.00 0.00 C ATOM 1432 C ILE B 89 14.796 6.133 4.834 1.00 0.00 C ATOM 1433 O ILE B 89 13.931 6.945 4.500 1.00 0.00 O ATOM 1434 CB ILE B 89 13.695 4.338 6.192 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.681 3.634 7.553 1.00 0.00 C ATOM 1436 CG2 ILE B 89 13.965 3.339 5.071 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.670 2.516 7.653 1.00 0.00 C ATOM 0 H ILE B 89 13.544 6.845 7.197 1.00 0.00 H new ATOM 0 HA ILE B 89 15.729 5.025 6.407 1.00 0.00 H new ATOM 0 HB ILE B 89 12.716 4.781 6.011 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.674 3.232 7.753 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.473 4.370 8.330 1.00 0.00 H new ATOM 0 HG21 ILE B 89 13.205 2.558 5.089 1.00 0.00 H new ATOM 0 HG22 ILE B 89 13.934 3.853 4.110 1.00 0.00 H new ATOM 0 HG23 ILE B 89 14.949 2.891 5.212 1.00 0.00 H new ATOM 0 HD11 ILE B 89 12.721 2.067 8.645 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.669 2.914 7.486 1.00 0.00 H new ATOM 0 HD13 ILE B 89 12.889 1.759 6.900 1.00 0.00 H new ATOM 1449 N VAL B 90 15.816 5.800 4.058 1.00 0.00 N ATOM 1450 CA VAL B 90 15.945 6.312 2.705 1.00 0.00 C ATOM 1451 C VAL B 90 15.131 5.442 1.752 1.00 0.00 C ATOM 1452 O VAL B 90 15.254 4.217 1.752 1.00 0.00 O ATOM 1453 CB VAL B 90 17.425 6.381 2.251 1.00 0.00 C ATOM 1454 CG1 VAL B 90 18.102 5.023 2.357 1.00 0.00 C ATOM 1455 CG2 VAL B 90 17.530 6.923 0.831 1.00 0.00 C ATOM 0 H VAL B 90 16.569 5.175 4.345 1.00 0.00 H new ATOM 0 HA VAL B 90 15.559 7.331 2.689 1.00 0.00 H new ATOM 0 HB VAL B 90 17.944 7.066 2.921 1.00 0.00 H new ATOM 0 HG11 VAL B 90 19.139 5.107 2.031 1.00 0.00 H new ATOM 0 HG12 VAL B 90 18.074 4.682 3.392 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.580 4.306 1.724 1.00 0.00 H new ATOM 0 HG21 VAL B 90 18.578 6.963 0.533 1.00 0.00 H new ATOM 0 HG22 VAL B 90 16.984 6.269 0.151 1.00 0.00 H new ATOM 0 HG23 VAL B 90 17.103 7.925 0.792 1.00 0.00 H new ATOM 1465 N VAL B 91 14.279 6.073 0.967 1.00 0.00 N ATOM 1466 CA VAL B 91 13.372 5.350 0.100 1.00 0.00 C ATOM 1467 C VAL B 91 13.289 5.990 -1.281 1.00 0.00 C ATOM 1468 O VAL B 91 13.269 7.213 -1.418 1.00 0.00 O ATOM 1469 CB VAL B 91 11.971 5.259 0.749 1.00 0.00 C ATOM 1470 CG1 VAL B 91 11.531 6.609 1.283 1.00 0.00 C ATOM 1471 CG2 VAL B 91 10.946 4.715 -0.227 1.00 0.00 C ATOM 0 H VAL B 91 14.197 7.088 0.913 1.00 0.00 H new ATOM 0 HA VAL B 91 13.764 4.341 -0.032 1.00 0.00 H new ATOM 0 HB VAL B 91 12.042 4.565 1.586 1.00 0.00 H new ATOM 0 HG11 VAL B 91 10.543 6.517 1.734 1.00 0.00 H new ATOM 0 HG12 VAL B 91 12.242 6.953 2.034 1.00 0.00 H new ATOM 0 HG13 VAL B 91 11.491 7.328 0.465 1.00 0.00 H new ATOM 0 HG21 VAL B 91 9.972 4.663 0.259 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.884 5.373 -1.094 1.00 0.00 H new ATOM 0 HG23 VAL B 91 11.244 3.717 -0.549 1.00 0.00 H new ATOM 1481 N ASN B 92 13.265 5.143 -2.301 1.00 0.00 N ATOM 1482 CA ASN B 92 13.165 5.584 -3.685 1.00 0.00 C ATOM 1483 C ASN B 92 12.246 4.658 -4.461 1.00 0.00 C ATOM 1484 O ASN B 92 11.936 3.561 -3.998 1.00 0.00 O ATOM 1485 CB ASN B 92 14.538 5.626 -4.362 1.00 0.00 C ATOM 1486 CG ASN B 92 15.603 4.855 -3.611 1.00 0.00 C ATOM 1487 OD1 ASN B 92 16.413 5.433 -2.889 1.00 0.00 O ATOM 1488 ND2 ASN B 92 15.580 3.544 -3.742 1.00 0.00 N ATOM 0 H ASN B 92 13.314 4.130 -2.192 1.00 0.00 H new ATOM 0 HA ASN B 92 12.755 6.594 -3.682 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.450 5.221 -5.370 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.854 6.664 -4.462 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.251 2.969 -3.233 1.00 0.00 H new ATOM 0 HD22 ASN B 92 14.891 3.104 -4.352 1.00 0.00 H new ATOM 1495 N ALA B 93 11.838 5.085 -5.650 1.00 0.00 N ATOM 1496 CA ALA B 93 10.909 4.321 -6.483 1.00 0.00 C ATOM 1497 C ALA B 93 11.484 2.958 -6.860 1.00 0.00 C ATOM 1498 O ALA B 93 10.748 2.019 -7.169 1.00 0.00 O ATOM 1499 CB ALA B 93 10.571 5.117 -7.734 1.00 0.00 C ATOM 0 H ALA B 93 12.139 5.967 -6.065 1.00 0.00 H new ATOM 0 HA ALA B 93 10.000 4.145 -5.907 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.879 4.546 -8.353 1.00 0.00 H new ATOM 0 HB2 ALA B 93 10.108 6.062 -7.450 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.483 5.314 -8.297 1.00 0.00 H new ATOM 1505 N ALA B 94 12.801 2.858 -6.811 1.00 0.00 N ATOM 1506 CA ALA B 94 13.498 1.627 -7.174 1.00 0.00 C ATOM 1507 C ALA B 94 13.607 0.685 -5.980 1.00 0.00 C ATOM 1508 O ALA B 94 14.000 -0.473 -6.117 1.00 0.00 O ATOM 1509 CB ALA B 94 14.879 1.954 -7.712 1.00 0.00 C ATOM 0 H ALA B 94 13.417 3.618 -6.522 1.00 0.00 H new ATOM 0 HA ALA B 94 12.921 1.123 -7.949 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.393 1.031 -7.981 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.785 2.587 -8.594 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.452 2.479 -6.948 1.00 0.00 H new ATOM 1515 N ASP B 95 13.256 1.195 -4.812 1.00 0.00 N ATOM 1516 CA ASP B 95 13.330 0.424 -3.573 1.00 0.00 C ATOM 1517 C ASP B 95 11.926 0.048 -3.118 1.00 0.00 C ATOM 1518 O ASP B 95 11.719 -0.924 -2.396 1.00 0.00 O ATOM 1519 CB ASP B 95 14.035 1.257 -2.502 1.00 0.00 C ATOM 1520 CG ASP B 95 14.340 0.489 -1.237 1.00 0.00 C ATOM 1521 OD1 ASP B 95 14.899 -0.621 -1.328 1.00 0.00 O ATOM 1522 OD2 ASP B 95 14.062 1.016 -0.143 1.00 0.00 O ATOM 0 H ASP B 95 12.913 2.148 -4.691 1.00 0.00 H new ATOM 0 HA ASP B 95 13.897 -0.492 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP B 95 14.966 1.647 -2.913 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.411 2.116 -2.254 1.00 0.00 H new ATOM 1527 N ILE B 96 10.969 0.840 -3.569 1.00 0.00 N ATOM 1528 CA ILE B 96 9.564 0.640 -3.260 1.00 0.00 C ATOM 1529 C ILE B 96 8.979 -0.532 -4.050 1.00 0.00 C ATOM 1530 O ILE B 96 8.933 -0.507 -5.282 1.00 0.00 O ATOM 1531 CB ILE B 96 8.789 1.930 -3.583 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.191 3.034 -2.617 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.286 1.701 -3.533 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.797 4.408 -3.094 1.00 0.00 C ATOM 0 H ILE B 96 11.147 1.648 -4.166 1.00 0.00 H new ATOM 0 HA ILE B 96 9.472 0.403 -2.200 1.00 0.00 H new ATOM 0 HB ILE B 96 9.044 2.234 -4.598 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.730 2.846 -1.647 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.270 3.003 -2.468 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.768 2.632 -3.766 1.00 0.00 H new ATOM 0 HG22 ILE B 96 7.010 0.940 -4.262 1.00 0.00 H new ATOM 0 HG23 ILE B 96 7.002 1.368 -2.535 1.00 0.00 H new ATOM 0 HD11 ILE B 96 9.111 5.151 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.279 4.614 -4.050 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.715 4.454 -3.216 1.00 0.00 H new ATOM 1546 N LYS B 97 8.548 -1.561 -3.334 1.00 0.00 N ATOM 1547 CA LYS B 97 7.948 -2.735 -3.953 1.00 0.00 C ATOM 1548 C LYS B 97 6.460 -2.800 -3.611 1.00 0.00 C ATOM 1549 O LYS B 97 6.089 -3.119 -2.481 1.00 0.00 O ATOM 1550 CB LYS B 97 8.657 -4.009 -3.476 1.00 0.00 C ATOM 1551 CG LYS B 97 10.178 -3.893 -3.443 1.00 0.00 C ATOM 1552 CD LYS B 97 10.757 -3.492 -4.795 1.00 0.00 C ATOM 1553 CE LYS B 97 10.677 -4.622 -5.812 1.00 0.00 C ATOM 1554 NZ LYS B 97 11.532 -5.777 -5.429 1.00 0.00 N ATOM 0 H LYS B 97 8.603 -1.606 -2.317 1.00 0.00 H new ATOM 0 HA LYS B 97 8.060 -2.660 -5.035 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.300 -4.260 -2.477 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.379 -4.835 -4.131 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.468 -3.157 -2.693 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.606 -4.847 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.219 -2.624 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.797 -3.192 -4.668 1.00 0.00 H new ATOM 0 HE2 LYS B 97 9.643 -4.952 -5.907 1.00 0.00 H new ATOM 0 HE3 LYS B 97 10.984 -4.252 -6.790 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 12.125 -6.053 -6.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 12.140 -5.508 -4.629 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 10.929 -6.578 -5.152 1.00 0.00 H new ATOM 1568 N ILE B 98 5.617 -2.473 -4.583 1.00 0.00 N ATOM 1569 CA ILE B 98 4.172 -2.453 -4.379 1.00 0.00 C ATOM 1570 C ILE B 98 3.496 -3.591 -5.141 1.00 0.00 C ATOM 1571 O ILE B 98 3.604 -3.677 -6.370 1.00 0.00 O ATOM 1572 CB ILE B 98 3.562 -1.108 -4.835 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.248 0.054 -4.117 1.00 0.00 C ATOM 1574 CG2 ILE B 98 2.062 -1.079 -4.579 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.728 1.413 -4.527 1.00 0.00 C ATOM 0 H ILE B 98 5.910 -2.217 -5.526 1.00 0.00 H new ATOM 0 HA ILE B 98 3.997 -2.580 -3.311 1.00 0.00 H new ATOM 0 HB ILE B 98 3.725 -1.003 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE B 98 4.117 -0.066 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.319 0.010 -4.314 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.655 -0.123 -4.908 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.583 -1.887 -5.132 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.872 -1.207 -3.513 1.00 0.00 H new ATOM 0 HD11 ILE B 98 4.261 2.188 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.884 1.555 -5.596 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.663 1.477 -4.304 1.00 0.00 H new ATOM 1587 N PHE B 99 2.804 -4.457 -4.411 1.00 0.00 N ATOM 1588 CA PHE B 99 2.104 -5.584 -5.012 1.00 0.00 C ATOM 1589 C PHE B 99 0.671 -5.667 -4.499 1.00 0.00 C ATOM 1590 O PHE B 99 0.434 -5.825 -3.301 1.00 0.00 O ATOM 1591 CB PHE B 99 2.821 -6.897 -4.705 1.00 0.00 C ATOM 1592 CG PHE B 99 4.181 -7.023 -5.328 1.00 0.00 C ATOM 1593 CD1 PHE B 99 4.320 -7.481 -6.626 1.00 0.00 C ATOM 1594 CD2 PHE B 99 5.320 -6.698 -4.610 1.00 0.00 C ATOM 1595 CE1 PHE B 99 5.569 -7.609 -7.201 1.00 0.00 C ATOM 1596 CE2 PHE B 99 6.572 -6.823 -5.179 1.00 0.00 C ATOM 1597 CZ PHE B 99 6.696 -7.279 -6.476 1.00 0.00 C ATOM 0 H PHE B 99 2.713 -4.399 -3.397 1.00 0.00 H new ATOM 0 HA PHE B 99 2.093 -5.425 -6.090 1.00 0.00 H new ATOM 0 HB2 PHE B 99 2.919 -6.999 -3.624 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.200 -7.725 -5.048 1.00 0.00 H new ATOM 0 HD1 PHE B 99 3.441 -7.742 -7.197 1.00 0.00 H new ATOM 0 HD2 PHE B 99 5.228 -6.343 -3.594 1.00 0.00 H new ATOM 0 HE1 PHE B 99 5.664 -7.967 -8.216 1.00 0.00 H new ATOM 0 HE2 PHE B 99 7.453 -6.564 -4.610 1.00 0.00 H new ATOM 0 HZ PHE B 99 7.674 -7.377 -6.923 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.280 -5.557 -5.409 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.689 -5.647 -5.057 1.00 0.00 C ATOM 1609 C HIS B 100 -2.217 -7.056 -5.305 1.00 0.00 C ATOM 1610 O HIS B 100 -2.383 -7.472 -6.452 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.509 -4.623 -5.857 1.00 0.00 C ATOM 1612 CG HIS B 100 -3.994 -4.718 -5.641 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -4.901 -4.828 -6.675 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.728 -4.717 -4.501 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -6.121 -4.895 -6.182 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -6.047 -4.830 -4.868 1.00 0.00 N ATOM 0 H HIS B 100 -0.103 -5.405 -6.402 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.790 -5.422 -3.995 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.178 -3.620 -5.589 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.298 -4.755 -6.918 1.00 0.00 H new ATOM 0 HD1 HIS B 100 -4.664 -4.853 -7.667 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.347 -4.642 -3.493 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -7.030 -4.988 -6.758 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.471 -7.786 -4.232 1.00 0.00 N ATOM 1626 CA ILE B 101 -3.117 -9.083 -4.339 1.00 0.00 C ATOM 1627 C ILE B 101 -4.624 -8.893 -4.334 1.00 0.00 C ATOM 1628 O ILE B 101 -5.239 -8.730 -3.281 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.710 -10.035 -3.191 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -1.198 -10.262 -3.197 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.444 -11.368 -3.306 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.741 -11.251 -2.151 1.00 0.00 C ATOM 0 H ILE B 101 -2.240 -7.504 -3.279 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.793 -9.541 -5.273 1.00 0.00 H new ATOM 0 HB ILE B 101 -2.991 -9.568 -2.247 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -0.894 -10.618 -4.182 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -0.693 -9.310 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -3.142 -12.022 -2.488 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.519 -11.197 -3.255 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -3.196 -11.839 -4.257 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.341 -11.367 -2.208 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -1.015 -10.886 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -1.219 -12.215 -2.328 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.215 -8.891 -5.519 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.645 -8.651 -5.658 1.00 0.00 C ATOM 1646 C ARG B 102 -7.447 -9.855 -5.182 1.00 0.00 C ATOM 1647 O ARG B 102 -8.626 -9.733 -4.852 1.00 0.00 O ATOM 1648 CB ARG B 102 -6.998 -8.307 -7.107 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.527 -9.336 -8.120 1.00 0.00 C ATOM 1650 CD ARG B 102 -6.898 -8.927 -9.534 1.00 0.00 C ATOM 1651 NE ARG B 102 -6.374 -9.856 -10.530 1.00 0.00 N ATOM 1652 CZ ARG B 102 -6.360 -9.610 -11.839 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -6.828 -8.462 -12.306 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -5.865 -10.511 -12.677 1.00 0.00 N ATOM 0 H ARG B 102 -4.727 -9.053 -6.400 1.00 0.00 H new ATOM 0 HA ARG B 102 -6.907 -7.799 -5.030 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -8.079 -8.199 -7.191 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -6.561 -7.340 -7.357 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -5.446 -9.455 -8.045 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -6.971 -10.305 -7.891 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -7.983 -8.875 -9.623 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -6.514 -7.927 -9.734 1.00 0.00 H new ATOM 0 HE ARG B 102 -5.996 -10.746 -10.205 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -7.200 -7.764 -11.663 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -6.816 -8.277 -13.309 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -5.495 -11.392 -12.319 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -5.854 -10.323 -13.680 1.00 0.00 H new ATOM 1668 N LYS B 103 -6.794 -11.010 -5.140 1.00 0.00 N ATOM 1669 CA LYS B 103 -7.414 -12.237 -4.656 1.00 0.00 C ATOM 1670 C LYS B 103 -7.906 -12.057 -3.222 1.00 0.00 C ATOM 1671 O LYS B 103 -9.059 -12.343 -2.906 1.00 0.00 O ATOM 1672 CB LYS B 103 -6.395 -13.377 -4.723 1.00 0.00 C ATOM 1673 CG LYS B 103 -6.916 -14.715 -4.235 1.00 0.00 C ATOM 1674 CD LYS B 103 -5.810 -15.757 -4.225 1.00 0.00 C ATOM 1675 CE LYS B 103 -6.319 -17.114 -3.775 1.00 0.00 C ATOM 1676 NZ LYS B 103 -7.365 -17.650 -4.686 1.00 0.00 N ATOM 0 H LYS B 103 -5.825 -11.122 -5.439 1.00 0.00 H new ATOM 0 HA LYS B 103 -8.272 -12.477 -5.284 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -6.058 -13.486 -5.754 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -5.522 -13.103 -4.130 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -7.327 -14.606 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -7.730 -15.049 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -5.382 -15.842 -5.224 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -5.009 -15.431 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -5.486 -17.816 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -6.725 -17.032 -2.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -7.514 -18.660 -4.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -8.255 -17.133 -4.536 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -7.059 -17.533 -5.673 1.00 0.00 H new ATOM 1690 N GLU B 104 -7.032 -11.534 -2.374 1.00 0.00 N ATOM 1691 CA GLU B 104 -7.359 -11.304 -0.972 1.00 0.00 C ATOM 1692 C GLU B 104 -7.715 -9.845 -0.740 1.00 0.00 C ATOM 1693 O GLU B 104 -8.005 -9.433 0.383 1.00 0.00 O ATOM 1694 CB GLU B 104 -6.177 -11.691 -0.083 1.00 0.00 C ATOM 1695 CG GLU B 104 -5.876 -13.177 -0.080 1.00 0.00 C ATOM 1696 CD GLU B 104 -6.900 -13.976 0.701 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -7.987 -14.261 0.157 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -6.623 -14.315 1.871 1.00 0.00 O ATOM 0 H GLU B 104 -6.085 -11.259 -2.634 1.00 0.00 H new ATOM 0 HA GLU B 104 -8.219 -11.923 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -5.291 -11.151 -0.417 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -6.381 -11.369 0.938 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -5.844 -13.540 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -4.887 -13.343 0.348 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.688 -9.075 -1.827 1.00 0.00 N ATOM 1706 CA ARG B 105 -7.898 -7.630 -1.782 1.00 0.00 C ATOM 1707 C ARG B 105 -6.920 -6.985 -0.810 1.00 0.00 C ATOM 1708 O ARG B 105 -7.247 -6.021 -0.120 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.341 -7.275 -1.400 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.381 -7.726 -2.417 1.00 0.00 C ATOM 1711 CD ARG B 105 -10.788 -9.177 -2.209 1.00 0.00 C ATOM 1712 NE ARG B 105 -11.390 -9.388 -0.892 1.00 0.00 N ATOM 1713 CZ ARG B 105 -11.425 -10.562 -0.263 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -10.907 -11.645 -0.829 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -11.987 -10.653 0.935 1.00 0.00 N ATOM 0 H ARG B 105 -7.519 -9.437 -2.765 1.00 0.00 H new ATOM 0 HA ARG B 105 -7.718 -7.239 -2.784 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.572 -7.727 -0.435 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.417 -6.195 -1.273 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -11.262 -7.088 -2.343 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -9.982 -7.602 -3.424 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -11.496 -9.471 -2.984 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -9.914 -9.819 -2.316 1.00 0.00 H new ATOM 0 HE ARG B 105 -11.810 -8.584 -0.425 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -10.478 -11.582 -1.752 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -10.938 -12.540 -0.341 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -12.391 -9.825 1.373 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -12.015 -11.551 1.418 1.00 0.00 H new ATOM 1729 N THR B 106 -5.709 -7.523 -0.769 1.00 0.00 N ATOM 1730 CA THR B 106 -4.707 -7.060 0.163 1.00 0.00 C ATOM 1731 C THR B 106 -3.515 -6.471 -0.588 1.00 0.00 C ATOM 1732 O THR B 106 -2.955 -7.106 -1.482 1.00 0.00 O ATOM 1733 CB THR B 106 -4.248 -8.214 1.073 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.393 -8.871 1.638 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.358 -7.707 2.191 1.00 0.00 C ATOM 0 H THR B 106 -5.402 -8.283 -1.376 1.00 0.00 H new ATOM 0 HA THR B 106 -5.146 -6.280 0.785 1.00 0.00 H new ATOM 0 HB THR B 106 -3.677 -8.917 0.467 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.097 -9.606 2.215 1.00 0.00 H new ATOM 0 HG21 THR B 106 -3.049 -8.544 2.818 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.477 -7.227 1.765 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.908 -6.985 2.795 1.00 0.00 H new ATOM 1743 N LEU B 107 -3.156 -5.246 -0.245 1.00 0.00 N ATOM 1744 CA LEU B 107 -2.048 -4.562 -0.895 1.00 0.00 C ATOM 1745 C LEU B 107 -0.799 -4.611 -0.022 1.00 0.00 C ATOM 1746 O LEU B 107 -0.812 -4.164 1.126 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.430 -3.109 -1.205 1.00 0.00 C ATOM 1748 CG LEU B 107 -1.318 -2.245 -1.807 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -0.803 -2.848 -3.099 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -1.819 -0.836 -2.058 1.00 0.00 C ATOM 0 H LEU B 107 -3.617 -4.701 0.483 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.829 -5.073 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.275 -3.114 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -2.773 -2.638 -0.284 1.00 0.00 H new ATOM 0 HG LEU B 107 -0.497 -2.208 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU B 107 -0.014 -2.216 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -0.405 -3.844 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -1.619 -2.919 -3.818 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -1.016 -0.235 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU B 107 -2.659 -0.867 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -2.142 -0.392 -1.117 1.00 0.00 H new ATOM 1762 N TYR B 108 0.268 -5.176 -0.568 1.00 0.00 N ATOM 1763 CA TYR B 108 1.526 -5.302 0.151 1.00 0.00 C ATOM 1764 C TYR B 108 2.529 -4.249 -0.297 1.00 0.00 C ATOM 1765 O TYR B 108 2.781 -4.079 -1.494 1.00 0.00 O ATOM 1766 CB TYR B 108 2.118 -6.695 -0.058 1.00 0.00 C ATOM 1767 CG TYR B 108 1.271 -7.801 0.515 1.00 0.00 C ATOM 1768 CD1 TYR B 108 0.054 -8.132 -0.059 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.683 -8.507 1.634 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.731 -9.131 0.465 1.00 0.00 C ATOM 1771 CE2 TYR B 108 0.904 -9.514 2.165 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.304 -9.821 1.579 1.00 0.00 C ATOM 1773 OH TYR B 108 -1.089 -10.822 2.108 1.00 0.00 O ATOM 0 H TYR B 108 0.286 -5.557 -1.514 1.00 0.00 H new ATOM 0 HA TYR B 108 1.318 -5.150 1.210 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.252 -6.867 -1.126 1.00 0.00 H new ATOM 0 HB3 TYR B 108 3.107 -6.733 0.398 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.284 -7.596 -0.933 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.628 -8.265 2.097 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.678 -9.374 0.006 1.00 0.00 H new ATOM 0 HE2 TYR B 108 1.239 -10.059 3.035 1.00 0.00 H new ATOM 0 HH TYR B 108 -1.613 -11.239 1.393 1.00 0.00 H new ATOM 1783 N ILE B 109 3.083 -3.539 0.672 1.00 0.00 N ATOM 1784 CA ILE B 109 4.125 -2.557 0.419 1.00 0.00 C ATOM 1785 C ILE B 109 5.414 -2.989 1.106 1.00 0.00 C ATOM 1786 O ILE B 109 5.435 -3.196 2.320 1.00 0.00 O ATOM 1787 CB ILE B 109 3.730 -1.162 0.956 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.344 -0.746 0.448 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.774 -0.120 0.576 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.252 -0.621 -1.055 1.00 0.00 C ATOM 0 H ILE B 109 2.824 -3.627 1.655 1.00 0.00 H new ATOM 0 HA ILE B 109 4.265 -2.494 -0.660 1.00 0.00 H new ATOM 0 HB ILE B 109 3.686 -1.224 2.043 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.610 -1.477 0.787 1.00 0.00 H new ATOM 0 HG13 ILE B 109 2.075 0.209 0.899 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.475 0.853 0.965 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.738 -0.399 1.001 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.857 -0.067 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.241 -0.324 -1.334 1.00 0.00 H new ATOM 0 HD12 ILE B 109 2.960 0.131 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.488 -1.581 -1.515 1.00 0.00 H new ATOM 1802 N TYR B 110 6.476 -3.146 0.335 1.00 0.00 N ATOM 1803 CA TYR B 110 7.775 -3.489 0.892 1.00 0.00 C ATOM 1804 C TYR B 110 8.794 -2.431 0.500 1.00 0.00 C ATOM 1805 O TYR B 110 8.941 -2.113 -0.680 1.00 0.00 O ATOM 1806 CB TYR B 110 8.246 -4.860 0.402 1.00 0.00 C ATOM 1807 CG TYR B 110 7.337 -6.014 0.769 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.249 -6.347 -0.027 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.581 -6.786 1.899 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.431 -7.414 0.294 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.765 -7.852 2.227 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.693 -8.161 1.421 1.00 0.00 C ATOM 1813 OH TYR B 110 4.885 -9.228 1.737 1.00 0.00 O ATOM 0 H TYR B 110 6.465 -3.042 -0.680 1.00 0.00 H new ATOM 0 HA TYR B 110 7.679 -3.529 1.977 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.347 -4.827 -0.683 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.238 -5.054 0.809 1.00 0.00 H new ATOM 0 HD1 TYR B 110 6.039 -5.763 -0.911 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.423 -6.548 2.532 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.590 -7.661 -0.337 1.00 0.00 H new ATOM 0 HE2 TYR B 110 6.967 -8.439 3.111 1.00 0.00 H new ATOM 0 HH TYR B 110 4.998 -9.455 2.684 1.00 0.00 H new ATOM 1823 N ILE B 111 9.476 -1.880 1.485 1.00 0.00 N ATOM 1824 CA ILE B 111 10.474 -0.853 1.241 1.00 0.00 C ATOM 1825 C ILE B 111 11.731 -1.160 2.038 1.00 0.00 C ATOM 1826 O ILE B 111 11.776 -0.827 3.235 1.00 0.00 O ATOM 1827 CB ILE B 111 9.949 0.552 1.614 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.673 0.869 0.826 1.00 0.00 C ATOM 1829 CG2 ILE B 111 11.016 1.607 1.344 1.00 0.00 C ATOM 1830 CD1 ILE B 111 8.033 2.185 1.199 1.00 0.00 C ATOM 1831 OXT ILE B 111 12.659 -1.772 1.472 1.00 0.00 O ATOM 0 H ILE B 111 9.357 -2.127 2.467 1.00 0.00 H new ATOM 0 HA ILE B 111 10.702 -0.853 0.175 1.00 0.00 H new ATOM 0 HB ILE B 111 9.713 0.564 2.678 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.908 0.880 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE B 111 7.951 0.068 0.985 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.631 2.591 1.612 1.00 0.00 H new ATOM 0 HG22 ILE B 111 11.902 1.389 1.941 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.279 1.596 0.286 1.00 0.00 H new ATOM 0 HD11 ILE B 111 7.136 2.337 0.598 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.764 2.172 2.255 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.736 2.997 1.013 1.00 0.00 H new