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 Single : A 5 SER OG : rot -31:sc= 0.119 USER MOD Single : A 7 GLN : amide:sc= -1.81! C(o=-1.8!,f=-1.7!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 34 TYR OH : rot -45:sc= 0.558 USER MOD Single : B 37 LYS NZ :NH3+ -164:sc= -0.0548 (180deg=-0.365) USER MOD Single : B 38 MET CE :methyl -132:sc= -0.193 (180deg=-1.43) USER MOD Single : B 39 LYS NZ :NH3+ -168:sc= -0.0178 (180deg=-0.169) USER MOD Single : B 42 LYS NZ :NH3+ -167:sc= -0.0619 (180deg=-0.301) USER MOD Single : B 46 TYR OH : rot -134:sc= 0.202 USER MOD Single : B 47 LYS NZ :NH3+ -163:sc= 2.31 (180deg=1.89) USER MOD Single : B 54 ASN : amide:sc= -1.36! K(o=-1.4!,f=-0.052) USER MOD Single : B 55 LYS NZ :NH3+ 145:sc= 0.802 (180deg=-0.254!) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -59:sc= 0.174 USER MOD Single : B 68 TYR OH : rot 180:sc= -1.11 USER MOD Single : B 69 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.29) USER MOD Single : B 73 ASN : amide:sc= -4.48! C(o=-4.5!,f=-4.8!) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 78 ASN : amide:sc= 0.47 K(o=0.47,f=-6.1!) 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= -2.68! K(o=-2.7!,f=-1.3) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 100 HIS : no HE2:sc= 0.00533 K(o=0.0053,f=-2.3!) USER MOD Single : B 103 LYS NZ :NH3+ 167:sc= 1.31 (180deg=0.946) USER MOD Single : B 106 THR OG1 : rot 60:sc= 0.482 USER MOD Single : B 108 TYR OH : rot 30:sc= 0 USER MOD Single : B 110 TYR OH : rot -158:sc= 0.973 USER MOD ----------------------------------------------------------------- ATOM 59 N SER A 5 8.574 13.889 -7.384 1.00 0.00 N ATOM 60 CA SER A 5 7.581 12.907 -6.994 1.00 0.00 C ATOM 61 C SER A 5 7.455 11.861 -8.098 1.00 0.00 C ATOM 62 O SER A 5 7.290 12.205 -9.270 1.00 0.00 O ATOM 63 CB SER A 5 6.234 13.586 -6.727 1.00 0.00 C ATOM 64 OG SER A 5 5.815 14.361 -7.839 1.00 0.00 O ATOM 0 HA SER A 5 7.893 12.417 -6.072 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.481 12.830 -6.505 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.315 14.224 -5.847 1.00 0.00 H new ATOM 0 HG SER A 5 6.601 14.710 -8.309 1.00 0.00 H new ATOM 70 N VAL A 6 7.554 10.595 -7.732 1.00 0.00 N ATOM 71 CA VAL A 6 7.580 9.520 -8.716 1.00 0.00 C ATOM 72 C VAL A 6 6.444 8.533 -8.499 1.00 0.00 C ATOM 73 O VAL A 6 6.130 8.168 -7.371 1.00 0.00 O ATOM 74 CB VAL A 6 8.922 8.763 -8.684 1.00 0.00 C ATOM 75 CG1 VAL A 6 10.038 9.636 -9.228 1.00 0.00 C ATOM 76 CG2 VAL A 6 9.245 8.309 -7.270 1.00 0.00 C ATOM 0 H VAL A 6 7.618 10.284 -6.763 1.00 0.00 H new ATOM 0 HA VAL A 6 7.457 9.989 -9.692 1.00 0.00 H new ATOM 0 HB VAL A 6 8.833 7.881 -9.318 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.978 9.085 -9.198 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.813 9.914 -10.258 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.125 10.536 -8.620 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.196 7.776 -7.267 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.314 9.178 -6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.457 7.647 -6.912 1.00 0.00 H new ATOM 86 N GLN A 7 5.835 8.100 -9.589 1.00 0.00 N ATOM 87 CA GLN A 7 4.730 7.158 -9.523 1.00 0.00 C ATOM 88 C GLN A 7 5.267 5.735 -9.464 1.00 0.00 C ATOM 89 O GLN A 7 6.231 5.393 -10.155 1.00 0.00 O ATOM 90 CB GLN A 7 3.781 7.332 -10.722 1.00 0.00 C ATOM 91 CG GLN A 7 4.347 6.876 -12.065 1.00 0.00 C ATOM 92 CD GLN A 7 5.529 7.704 -12.541 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.363 8.718 -13.218 1.00 0.00 O ATOM 94 NE2 GLN A 7 6.732 7.269 -12.199 1.00 0.00 N ATOM 0 H GLN A 7 6.088 8.387 -10.535 1.00 0.00 H new ATOM 0 HA GLN A 7 4.158 7.358 -8.617 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.864 6.777 -10.524 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.506 8.384 -10.799 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.654 5.833 -11.985 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.558 6.920 -12.816 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.828 6.424 -11.636 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.563 7.779 -12.498 1.00 0.00 H new ATOM 103 N ILE A 8 4.663 4.914 -8.625 1.00 0.00 N ATOM 104 CA ILE A 8 5.122 3.547 -8.456 1.00 0.00 C ATOM 105 C ILE A 8 4.106 2.580 -9.050 1.00 0.00 C ATOM 106 O ILE A 8 2.960 2.526 -8.604 1.00 0.00 O ATOM 107 CB ILE A 8 5.341 3.190 -6.971 1.00 0.00 C ATOM 108 CG1 ILE A 8 5.877 4.391 -6.180 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.300 2.011 -6.854 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.225 4.889 -6.649 1.00 0.00 C ATOM 0 H ILE A 8 3.858 5.167 -8.053 1.00 0.00 H new ATOM 0 HA ILE A 8 6.077 3.461 -8.974 1.00 0.00 H new ATOM 0 HB ILE A 8 4.377 2.913 -6.544 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.157 5.207 -6.247 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.950 4.116 -5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.449 1.766 -5.802 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.881 1.148 -7.372 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.257 2.274 -7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.532 5.738 -6.038 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.961 4.090 -6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.156 5.198 -7.692 1.00 0.00 H new ATOM 122 N PRO A 9 4.503 1.817 -10.074 1.00 0.00 N ATOM 123 CA PRO A 9 3.612 0.862 -10.732 1.00 0.00 C ATOM 124 C PRO A 9 3.240 -0.306 -9.824 1.00 0.00 C ATOM 125 O PRO A 9 4.108 -0.958 -9.239 1.00 0.00 O ATOM 126 CB PRO A 9 4.424 0.366 -11.928 1.00 0.00 C ATOM 127 CG PRO A 9 5.847 0.609 -11.558 1.00 0.00 C ATOM 128 CD PRO A 9 5.849 1.823 -10.671 1.00 0.00 C ATOM 0 HA PRO A 9 2.665 1.324 -11.009 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.241 -0.692 -12.118 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.156 0.904 -12.837 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.267 -0.253 -11.039 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.457 0.775 -12.446 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.626 1.762 -9.909 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.031 2.735 -11.240 1.00 0.00 H new ATOM 136 N VAL A 10 1.947 -0.562 -9.707 1.00 0.00 N ATOM 137 CA VAL A 10 1.460 -1.657 -8.886 1.00 0.00 C ATOM 138 C VAL A 10 1.310 -2.921 -9.713 1.00 0.00 C ATOM 139 O VAL A 10 0.721 -2.903 -10.796 1.00 0.00 O ATOM 140 CB VAL A 10 0.095 -1.341 -8.248 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.339 -2.465 -7.317 1.00 0.00 C ATOM 142 CG2 VAL A 10 0.141 -0.023 -7.506 1.00 0.00 C ATOM 0 H VAL A 10 1.215 -0.025 -10.172 1.00 0.00 H new ATOM 0 HA VAL A 10 2.198 -1.800 -8.097 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.641 -1.257 -9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.306 -2.220 -6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.422 -3.394 -7.882 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.399 -2.587 -6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.834 0.180 -7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.893 -0.075 -6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.397 0.777 -8.201 1.00 0.00 H new ATOM 152 N VAL A 11 1.840 -4.013 -9.197 1.00 0.00 N ATOM 153 CA VAL A 11 1.656 -5.308 -9.817 1.00 0.00 C ATOM 154 C VAL A 11 0.364 -5.925 -9.297 1.00 0.00 C ATOM 155 O VAL A 11 -0.034 -5.655 -8.166 1.00 0.00 O ATOM 156 CB VAL A 11 2.834 -6.245 -9.485 1.00 0.00 C ATOM 157 CG1 VAL A 11 2.650 -6.885 -8.131 1.00 0.00 C ATOM 158 CG2 VAL A 11 3.032 -7.313 -10.536 1.00 0.00 C ATOM 0 H VAL A 11 2.403 -4.027 -8.347 1.00 0.00 H new ATOM 0 HA VAL A 11 1.609 -5.178 -10.898 1.00 0.00 H new ATOM 0 HB VAL A 11 3.730 -5.625 -9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.495 -7.541 -7.921 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.594 -6.110 -7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.728 -7.467 -8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.873 -7.947 -10.256 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.130 -7.920 -10.612 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.236 -6.843 -11.498 1.00 0.00 H new ATOM 168 N GLU A 12 -0.322 -6.698 -10.109 1.00 0.00 N ATOM 169 CA GLU A 12 -1.410 -7.503 -9.587 1.00 0.00 C ATOM 170 C GLU A 12 -1.075 -8.972 -9.737 1.00 0.00 C ATOM 171 O GLU A 12 -1.311 -9.582 -10.777 1.00 0.00 O ATOM 172 CB GLU A 12 -2.742 -7.158 -10.248 1.00 0.00 C ATOM 173 CG GLU A 12 -3.227 -5.765 -9.887 1.00 0.00 C ATOM 174 CD GLU A 12 -4.674 -5.523 -10.254 1.00 0.00 C ATOM 175 OE1 GLU A 12 -4.952 -5.152 -11.410 1.00 0.00 O ATOM 176 OE2 GLU A 12 -5.544 -5.692 -9.373 1.00 0.00 O ATOM 0 H GLU A 12 -0.154 -6.788 -11.111 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.527 -7.278 -8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.637 -7.234 -11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.493 -7.889 -9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.100 -5.610 -8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.603 -5.028 -10.392 1.00 0.00 H new ATOM 183 N VAL A 13 -0.512 -9.523 -8.677 1.00 0.00 N ATOM 184 CA VAL A 13 -0.056 -10.909 -8.676 1.00 0.00 C ATOM 185 C VAL A 13 -0.912 -11.780 -7.771 1.00 0.00 C ATOM 186 O VAL A 13 -1.861 -11.302 -7.146 1.00 0.00 O ATOM 187 CB VAL A 13 1.418 -11.030 -8.233 1.00 0.00 C ATOM 188 CG1 VAL A 13 2.352 -10.543 -9.328 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.658 -10.259 -6.943 1.00 0.00 C ATOM 0 H VAL A 13 -0.357 -9.031 -7.797 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.148 -11.257 -9.705 1.00 0.00 H new ATOM 0 HB VAL A 13 1.630 -12.083 -8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.385 -10.638 -8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.205 -11.144 -10.226 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.137 -9.498 -9.551 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.703 -10.358 -6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.423 -9.206 -7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.020 -10.660 -6.155 1.00 0.00 H new ATOM 199 N ASP A 14 -0.560 -13.055 -7.694 1.00 0.00 N ATOM 200 CA ASP A 14 -1.281 -14.005 -6.870 1.00 0.00 C ATOM 201 C ASP A 14 -0.727 -13.959 -5.457 1.00 0.00 C ATOM 202 O ASP A 14 -1.455 -14.145 -4.479 1.00 0.00 O ATOM 203 CB ASP A 14 -1.138 -15.411 -7.459 1.00 0.00 C ATOM 204 CG ASP A 14 -1.977 -16.445 -6.742 1.00 0.00 C ATOM 205 OD1 ASP A 14 -3.182 -16.550 -7.048 1.00 0.00 O ATOM 206 OD2 ASP A 14 -1.429 -17.180 -5.895 1.00 0.00 O ATOM 0 H ASP A 14 0.230 -13.456 -8.200 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.340 -13.747 -6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.422 -15.388 -8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.091 -15.710 -7.418 1.00 0.00 H new ATOM 211 N GLU A 15 0.573 -13.688 -5.372 1.00 0.00 N ATOM 212 CA GLU A 15 1.259 -13.545 -4.103 1.00 0.00 C ATOM 213 C GLU A 15 2.667 -13.009 -4.338 1.00 0.00 C ATOM 214 O GLU A 15 3.109 -12.900 -5.483 1.00 0.00 O ATOM 215 CB GLU A 15 1.307 -14.882 -3.368 1.00 0.00 C ATOM 216 CG GLU A 15 2.274 -15.888 -3.965 1.00 0.00 C ATOM 217 CD GLU A 15 2.376 -17.141 -3.126 1.00 0.00 C ATOM 218 OE1 GLU A 15 2.899 -17.064 -1.994 1.00 0.00 O ATOM 219 OE2 GLU A 15 1.932 -18.213 -3.592 1.00 0.00 O ATOM 0 H GLU A 15 1.176 -13.562 -6.185 1.00 0.00 H new ATOM 0 HA GLU A 15 0.712 -12.837 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.583 -14.702 -2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.307 -15.316 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.948 -16.151 -4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.260 -15.432 -4.058 1.00 0.00 H new ATOM 226 N LEU A 16 3.366 -12.670 -3.265 1.00 0.00 N ATOM 227 CA LEU A 16 4.714 -12.135 -3.379 1.00 0.00 C ATOM 228 C LEU A 16 5.704 -13.249 -3.677 1.00 0.00 C ATOM 229 O LEU A 16 5.559 -14.366 -3.177 1.00 0.00 O ATOM 230 CB LEU A 16 5.138 -11.427 -2.090 1.00 0.00 C ATOM 231 CG LEU A 16 4.254 -10.266 -1.633 1.00 0.00 C ATOM 232 CD1 LEU A 16 3.667 -9.527 -2.819 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.165 -10.752 -0.699 1.00 0.00 C ATOM 0 H LEU A 16 3.023 -12.756 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 16 4.712 -11.415 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.173 -12.166 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.153 -11.053 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 16 4.880 -9.564 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.043 -8.707 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.473 -9.129 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.062 -10.213 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.549 -9.908 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.543 -11.484 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.618 -11.214 0.178 1.00 0.00 H new ATOM 245 N PRO A 17 6.728 -12.958 -4.494 1.00 0.00 N ATOM 246 CA PRO A 17 7.766 -13.932 -4.821 1.00 0.00 C ATOM 247 C PRO A 17 8.638 -14.264 -3.613 1.00 0.00 C ATOM 248 O PRO A 17 8.524 -13.631 -2.560 1.00 0.00 O ATOM 249 CB PRO A 17 8.589 -13.236 -5.907 1.00 0.00 C ATOM 250 CG PRO A 17 8.351 -11.783 -5.700 1.00 0.00 C ATOM 251 CD PRO A 17 6.954 -11.659 -5.160 1.00 0.00 C ATOM 0 HA PRO A 17 7.346 -14.885 -5.143 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.648 -13.479 -5.816 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.274 -13.549 -6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.077 -11.365 -5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.457 -11.234 -6.636 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.866 -10.828 -4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.230 -11.484 -5.956 1.00 0.00 H new ATOM 259 N GLU A 18 9.508 -15.252 -3.776 1.00 0.00 N ATOM 260 CA GLU A 18 10.360 -15.715 -2.689 1.00 0.00 C ATOM 261 C GLU A 18 11.205 -14.582 -2.121 1.00 0.00 C ATOM 262 O GLU A 18 11.803 -13.800 -2.865 1.00 0.00 O ATOM 263 CB GLU A 18 11.257 -16.853 -3.170 1.00 0.00 C ATOM 264 CG GLU A 18 10.481 -18.092 -3.578 1.00 0.00 C ATOM 265 CD GLU A 18 11.376 -19.206 -4.073 1.00 0.00 C ATOM 266 OE1 GLU A 18 11.867 -19.994 -3.236 1.00 0.00 O ATOM 267 OE2 GLU A 18 11.587 -19.305 -5.299 1.00 0.00 O ATOM 0 H GLU A 18 9.642 -15.750 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 18 9.714 -16.082 -1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.849 -16.507 -4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.958 -17.115 -2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.901 -18.449 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.770 -17.828 -4.361 1.00 0.00 H new ATOM 274 N GLY A 19 11.236 -14.496 -0.801 1.00 0.00 N ATOM 275 CA GLY A 19 12.002 -13.463 -0.136 1.00 0.00 C ATOM 276 C GLY A 19 11.116 -12.432 0.531 1.00 0.00 C ATOM 277 O GLY A 19 11.592 -11.607 1.312 1.00 0.00 O ATOM 0 H GLY A 19 10.740 -15.129 -0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.651 -13.919 0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.649 -12.969 -0.861 1.00 0.00 H new ATOM 281 N TYR A 20 9.824 -12.477 0.227 1.00 0.00 N ATOM 282 CA TYR A 20 8.868 -11.542 0.807 1.00 0.00 C ATOM 283 C TYR A 20 8.144 -12.153 2.000 1.00 0.00 C ATOM 284 O TYR A 20 8.091 -13.375 2.153 1.00 0.00 O ATOM 285 CB TYR A 20 7.854 -11.090 -0.240 1.00 0.00 C ATOM 286 CG TYR A 20 8.403 -10.082 -1.221 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.359 -8.726 -0.938 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.965 -10.481 -2.424 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.863 -7.794 -1.820 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.469 -9.555 -3.315 1.00 0.00 C ATOM 291 CZ TYR A 20 9.417 -8.213 -3.008 1.00 0.00 C ATOM 292 OH TYR A 20 9.939 -7.287 -3.884 1.00 0.00 O ATOM 0 H TYR A 20 9.414 -13.152 -0.419 1.00 0.00 H new ATOM 0 HA TYR A 20 9.430 -10.676 1.156 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.499 -11.962 -0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.990 -10.658 0.266 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.921 -8.393 -0.008 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.009 -11.532 -2.668 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.823 -6.742 -1.580 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.902 -9.881 -4.249 1.00 0.00 H new ATOM 0 HH TYR A 20 10.292 -7.747 -4.674 1.00 0.00 H new ATOM 302 N ASP A 21 7.587 -11.293 2.843 1.00 0.00 N ATOM 303 CA ASP A 21 6.896 -11.734 4.046 1.00 0.00 C ATOM 304 C ASP A 21 5.411 -11.398 3.971 1.00 0.00 C ATOM 305 O ASP A 21 4.993 -10.276 4.285 1.00 0.00 O ATOM 306 CB ASP A 21 7.518 -11.084 5.285 1.00 0.00 C ATOM 307 CG ASP A 21 6.919 -11.606 6.575 1.00 0.00 C ATOM 308 OD1 ASP A 21 7.399 -12.646 7.084 1.00 0.00 O ATOM 309 OD2 ASP A 21 5.966 -10.989 7.091 1.00 0.00 O ATOM 0 H ASP A 21 7.601 -10.281 2.714 1.00 0.00 H new ATOM 0 HA ASP A 21 7.002 -12.816 4.122 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.593 -11.267 5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.378 -10.004 5.234 1.00 0.00 H new ATOM 314 N ARG A 22 4.621 -12.367 3.533 1.00 0.00 N ATOM 315 CA ARG A 22 3.177 -12.204 3.454 1.00 0.00 C ATOM 316 C ARG A 22 2.534 -12.584 4.784 1.00 0.00 C ATOM 317 O ARG A 22 3.048 -13.447 5.496 1.00 0.00 O ATOM 318 CB ARG A 22 2.606 -13.052 2.305 1.00 0.00 C ATOM 319 CG ARG A 22 1.085 -13.030 2.216 1.00 0.00 C ATOM 320 CD ARG A 22 0.579 -13.431 0.835 1.00 0.00 C ATOM 321 NE ARG A 22 1.019 -14.768 0.433 1.00 0.00 N ATOM 322 CZ ARG A 22 0.236 -15.849 0.422 1.00 0.00 C ATOM 323 NH1 ARG A 22 -1.020 -15.778 0.854 1.00 0.00 N ATOM 324 NH2 ARG A 22 0.711 -17.005 -0.024 1.00 0.00 N ATOM 0 H ARG A 22 4.958 -13.279 3.225 1.00 0.00 H new ATOM 0 HA ARG A 22 2.948 -11.158 3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.020 -12.694 1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.938 -14.083 2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.670 -13.707 2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.724 -12.030 2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.510 -13.395 0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.926 -12.704 0.101 1.00 0.00 H new ATOM 0 HE ARG A 22 1.990 -14.881 0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.392 -14.892 1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.611 -16.609 0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.673 -17.066 -0.358 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.114 -17.832 -0.033 1.00 0.00 H new ATOM 491 N GLU B 33 -13.077 0.119 3.021 1.00 0.00 N ATOM 492 CA GLU B 33 -12.380 0.267 4.277 1.00 0.00 C ATOM 493 C GLU B 33 -11.048 -0.451 4.208 1.00 0.00 C ATOM 494 O GLU B 33 -10.978 -1.679 4.253 1.00 0.00 O ATOM 495 CB GLU B 33 -13.214 -0.263 5.445 1.00 0.00 C ATOM 496 CG GLU B 33 -12.521 -0.093 6.785 1.00 0.00 C ATOM 497 CD GLU B 33 -13.381 -0.508 7.958 1.00 0.00 C ATOM 498 OE1 GLU B 33 -14.302 0.254 8.323 1.00 0.00 O ATOM 499 OE2 GLU B 33 -13.133 -1.588 8.531 1.00 0.00 O ATOM 0 HA GLU B 33 -12.209 1.329 4.452 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.172 0.257 5.467 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.428 -1.319 5.283 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -11.604 -0.681 6.789 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.231 0.951 6.907 1.00 0.00 H new ATOM 506 N TYR B 34 -10.003 0.322 4.033 1.00 0.00 N ATOM 507 CA TYR B 34 -8.658 -0.210 4.040 1.00 0.00 C ATOM 508 C TYR B 34 -8.116 -0.263 5.454 1.00 0.00 C ATOM 509 O TYR B 34 -8.313 0.659 6.247 1.00 0.00 O ATOM 510 CB TYR B 34 -7.736 0.635 3.176 1.00 0.00 C ATOM 511 CG TYR B 34 -8.072 0.595 1.708 1.00 0.00 C ATOM 512 CD1 TYR B 34 -7.758 -0.517 0.939 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.696 1.668 1.091 1.00 0.00 C ATOM 514 CE1 TYR B 34 -8.059 -0.559 -0.406 1.00 0.00 C ATOM 515 CE2 TYR B 34 -9.000 1.634 -0.252 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.680 0.522 -0.998 1.00 0.00 C ATOM 517 OH TYR B 34 -8.986 0.488 -2.338 1.00 0.00 O ATOM 0 H TYR B 34 -10.058 1.329 3.883 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.697 -1.220 3.631 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.777 1.668 3.520 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.710 0.293 3.314 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.270 -1.363 1.401 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -8.947 2.543 1.672 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -7.811 -1.432 -0.992 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.488 2.477 -0.718 1.00 0.00 H new ATOM 0 HH TYR B 34 -8.219 0.141 -2.840 1.00 0.00 H new ATOM 527 N GLU B 35 -7.436 -1.345 5.763 1.00 0.00 N ATOM 528 CA GLU B 35 -6.841 -1.510 7.066 1.00 0.00 C ATOM 529 C GLU B 35 -5.337 -1.638 6.910 1.00 0.00 C ATOM 530 O GLU B 35 -4.837 -2.626 6.374 1.00 0.00 O ATOM 531 CB GLU B 35 -7.431 -2.730 7.763 1.00 0.00 C ATOM 532 CG GLU B 35 -7.236 -2.726 9.269 1.00 0.00 C ATOM 533 CD GLU B 35 -8.067 -3.785 9.960 1.00 0.00 C ATOM 534 OE1 GLU B 35 -7.581 -4.922 10.129 1.00 0.00 O ATOM 535 OE2 GLU B 35 -9.220 -3.491 10.328 1.00 0.00 O ATOM 0 H GLU B 35 -7.282 -2.126 5.125 1.00 0.00 H new ATOM 0 HA GLU B 35 -7.057 -0.640 7.686 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.497 -2.782 7.544 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -6.976 -3.630 7.349 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -6.183 -2.888 9.497 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.500 -1.745 9.664 1.00 0.00 H new ATOM 542 N VAL B 36 -4.633 -0.612 7.350 1.00 0.00 N ATOM 543 CA VAL B 36 -3.195 -0.521 7.174 1.00 0.00 C ATOM 544 C VAL B 36 -2.451 -0.982 8.426 1.00 0.00 C ATOM 545 O VAL B 36 -2.777 -0.580 9.543 1.00 0.00 O ATOM 546 CB VAL B 36 -2.780 0.924 6.801 1.00 0.00 C ATOM 547 CG1 VAL B 36 -3.462 1.938 7.705 1.00 0.00 C ATOM 548 CG2 VAL B 36 -1.270 1.096 6.858 1.00 0.00 C ATOM 0 H VAL B 36 -5.042 0.183 7.840 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.919 -1.186 6.355 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.104 1.103 5.776 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -3.153 2.944 7.421 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.543 1.848 7.602 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -3.179 1.750 8.741 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -1.010 2.120 6.591 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -0.917 0.883 7.867 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -0.799 0.408 6.156 1.00 0.00 H new ATOM 558 N LYS B 37 -1.462 -1.843 8.222 1.00 0.00 N ATOM 559 CA LYS B 37 -0.623 -2.337 9.301 1.00 0.00 C ATOM 560 C LYS B 37 0.831 -2.040 8.966 1.00 0.00 C ATOM 561 O LYS B 37 1.271 -2.296 7.847 1.00 0.00 O ATOM 562 CB LYS B 37 -0.805 -3.851 9.508 1.00 0.00 C ATOM 563 CG LYS B 37 -2.225 -4.290 9.862 1.00 0.00 C ATOM 564 CD LYS B 37 -3.114 -4.405 8.632 1.00 0.00 C ATOM 565 CE LYS B 37 -4.483 -4.982 8.972 1.00 0.00 C ATOM 566 NZ LYS B 37 -4.397 -6.349 9.553 1.00 0.00 N ATOM 0 H LYS B 37 -1.221 -2.217 7.304 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.913 -1.836 10.225 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.498 -4.366 8.598 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -0.132 -4.177 10.301 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.189 -5.252 10.374 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.662 -3.574 10.558 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -3.237 -3.421 8.180 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.627 -5.038 7.890 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -4.987 -4.322 9.678 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -5.095 -5.012 8.071 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -5.333 -6.802 9.516 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.716 -6.916 9.008 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.082 -6.287 10.542 1.00 0.00 H new ATOM 580 N MET B 38 1.572 -1.491 9.913 1.00 0.00 N ATOM 581 CA MET B 38 2.949 -1.099 9.654 1.00 0.00 C ATOM 582 C MET B 38 3.915 -1.950 10.467 1.00 0.00 C ATOM 583 O MET B 38 3.623 -2.307 11.610 1.00 0.00 O ATOM 584 CB MET B 38 3.139 0.377 9.978 1.00 0.00 C ATOM 585 CG MET B 38 4.111 1.056 9.041 1.00 0.00 C ATOM 586 SD MET B 38 4.005 2.849 9.100 1.00 0.00 S ATOM 587 CE MET B 38 4.499 3.221 7.423 1.00 0.00 C ATOM 0 H MET B 38 1.247 -1.307 10.862 1.00 0.00 H new ATOM 0 HA MET B 38 3.163 -1.260 8.597 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.175 0.884 9.926 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.497 0.477 11.003 1.00 0.00 H new ATOM 0 HG2 MET B 38 5.126 0.749 9.294 1.00 0.00 H new ATOM 0 HG3 MET B 38 3.920 0.719 8.022 1.00 0.00 H new ATOM 0 HE1 MET B 38 5.257 4.004 7.432 1.00 0.00 H new ATOM 0 HE2 MET B 38 4.909 2.325 6.957 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.633 3.561 6.856 1.00 0.00 H new ATOM 597 N LYS B 39 5.063 -2.279 9.881 1.00 0.00 N ATOM 598 CA LYS B 39 6.028 -3.149 10.547 1.00 0.00 C ATOM 599 C LYS B 39 7.453 -2.798 10.114 1.00 0.00 C ATOM 600 O LYS B 39 7.712 -2.586 8.929 1.00 0.00 O ATOM 601 CB LYS B 39 5.707 -4.612 10.204 1.00 0.00 C ATOM 602 CG LYS B 39 6.073 -5.618 11.290 1.00 0.00 C ATOM 603 CD LYS B 39 7.575 -5.802 11.426 1.00 0.00 C ATOM 604 CE LYS B 39 7.928 -6.744 12.567 1.00 0.00 C ATOM 605 NZ LYS B 39 7.543 -6.187 13.891 1.00 0.00 N ATOM 0 H LYS B 39 5.346 -1.960 8.955 1.00 0.00 H new ATOM 0 HA LYS B 39 5.959 -3.007 11.625 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.641 -4.696 9.995 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.233 -4.880 9.288 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.663 -5.285 12.243 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.611 -6.579 11.062 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.979 -6.194 10.493 1.00 0.00 H new ATOM 0 HD3 LYS B 39 8.046 -4.834 11.595 1.00 0.00 H new ATOM 0 HE2 LYS B 39 7.426 -7.700 12.416 1.00 0.00 H new ATOM 0 HE3 LYS B 39 9.000 -6.942 12.555 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 7.977 -6.755 14.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 7.874 -5.204 13.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 6.508 -6.212 13.990 1.00 0.00 H new ATOM 619 N ARG B 40 8.368 -2.729 11.077 1.00 0.00 N ATOM 620 CA ARG B 40 9.771 -2.436 10.788 1.00 0.00 C ATOM 621 C ARG B 40 10.567 -3.719 10.588 1.00 0.00 C ATOM 622 O ARG B 40 10.521 -4.630 11.416 1.00 0.00 O ATOM 623 CB ARG B 40 10.419 -1.618 11.912 1.00 0.00 C ATOM 624 CG ARG B 40 10.148 -0.120 11.849 1.00 0.00 C ATOM 625 CD ARG B 40 8.679 0.208 12.059 1.00 0.00 C ATOM 626 NE ARG B 40 8.182 -0.277 13.344 1.00 0.00 N ATOM 627 CZ ARG B 40 6.930 -0.112 13.764 1.00 0.00 C ATOM 628 NH1 ARG B 40 6.066 0.569 13.024 1.00 0.00 N ATOM 629 NH2 ARG B 40 6.543 -0.617 14.928 1.00 0.00 N ATOM 0 H ARG B 40 8.164 -2.872 12.066 1.00 0.00 H new ATOM 0 HA ARG B 40 9.788 -1.850 9.869 1.00 0.00 H new ATOM 0 HB2 ARG B 40 10.063 -1.997 12.870 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.497 -1.780 11.885 1.00 0.00 H new ATOM 0 HG2 ARG B 40 10.744 0.387 12.608 1.00 0.00 H new ATOM 0 HG3 ARG B 40 10.470 0.265 10.881 1.00 0.00 H new ATOM 0 HD2 ARG B 40 8.538 1.287 12.001 1.00 0.00 H new ATOM 0 HD3 ARG B 40 8.091 -0.234 11.254 1.00 0.00 H new ATOM 0 HE ARG B 40 8.832 -0.771 13.955 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.361 0.967 12.132 1.00 0.00 H new ATOM 0 HH12 ARG B 40 5.107 0.695 13.346 1.00 0.00 H new ATOM 0 HH21 ARG B 40 7.206 -1.134 15.505 1.00 0.00 H new ATOM 0 HH22 ARG B 40 5.582 -0.488 15.246 1.00 0.00 H new ATOM 643 N PHE B 41 11.295 -3.778 9.488 1.00 0.00 N ATOM 644 CA PHE B 41 12.167 -4.906 9.196 1.00 0.00 C ATOM 645 C PHE B 41 13.614 -4.451 9.198 1.00 0.00 C ATOM 646 O PHE B 41 13.929 -3.369 8.706 1.00 0.00 O ATOM 647 CB PHE B 41 11.840 -5.526 7.835 1.00 0.00 C ATOM 648 CG PHE B 41 10.616 -6.395 7.827 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.371 -5.874 8.127 1.00 0.00 C ATOM 650 CD2 PHE B 41 10.718 -7.741 7.520 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.250 -6.677 8.120 1.00 0.00 C ATOM 652 CE2 PHE B 41 9.599 -8.550 7.511 1.00 0.00 C ATOM 653 CZ PHE B 41 8.363 -8.017 7.812 1.00 0.00 C ATOM 0 H PHE B 41 11.300 -3.050 8.773 1.00 0.00 H new ATOM 0 HA PHE B 41 12.008 -5.659 9.968 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.707 -4.725 7.107 1.00 0.00 H new ATOM 0 HB3 PHE B 41 12.693 -6.118 7.505 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.275 -4.826 8.370 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.684 -8.163 7.285 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.283 -6.257 8.356 1.00 0.00 H new ATOM 0 HE2 PHE B 41 9.691 -9.598 7.269 1.00 0.00 H new ATOM 0 HZ PHE B 41 7.486 -8.647 7.807 1.00 0.00 H new ATOM 663 N LYS B 42 14.486 -5.262 9.765 1.00 0.00 N ATOM 664 CA LYS B 42 15.910 -4.972 9.751 1.00 0.00 C ATOM 665 C LYS B 42 16.689 -6.245 9.478 1.00 0.00 C ATOM 666 O LYS B 42 16.781 -7.131 10.329 1.00 0.00 O ATOM 667 CB LYS B 42 16.356 -4.324 11.067 1.00 0.00 C ATOM 668 CG LYS B 42 15.711 -2.970 11.312 1.00 0.00 C ATOM 669 CD LYS B 42 16.308 -2.261 12.513 1.00 0.00 C ATOM 670 CE LYS B 42 15.638 -0.914 12.749 1.00 0.00 C ATOM 671 NZ LYS B 42 15.717 -0.029 11.554 1.00 0.00 N ATOM 0 H LYS B 42 14.235 -6.128 10.242 1.00 0.00 H new ATOM 0 HA LYS B 42 16.114 -4.258 8.953 1.00 0.00 H new ATOM 0 HB2 LYS B 42 16.113 -4.991 11.894 1.00 0.00 H new ATOM 0 HB3 LYS B 42 17.440 -4.208 11.059 1.00 0.00 H new ATOM 0 HG2 LYS B 42 15.832 -2.346 10.426 1.00 0.00 H new ATOM 0 HG3 LYS B 42 14.640 -3.102 11.465 1.00 0.00 H new ATOM 0 HD2 LYS B 42 16.196 -2.885 13.399 1.00 0.00 H new ATOM 0 HD3 LYS B 42 17.377 -2.116 12.358 1.00 0.00 H new ATOM 0 HE2 LYS B 42 14.592 -1.072 13.014 1.00 0.00 H new ATOM 0 HE3 LYS B 42 16.110 -0.419 13.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 15.452 0.940 11.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 16.689 -0.032 11.183 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 15.066 -0.376 10.821 1.00 0.00 H new ATOM 685 N GLY B 43 17.221 -6.342 8.272 1.00 0.00 N ATOM 686 CA GLY B 43 17.922 -7.538 7.859 1.00 0.00 C ATOM 687 C GLY B 43 17.308 -8.147 6.617 1.00 0.00 C ATOM 688 O GLY B 43 17.742 -9.197 6.146 1.00 0.00 O ATOM 0 H GLY B 43 17.179 -5.607 7.566 1.00 0.00 H new ATOM 0 HA2 GLY B 43 18.968 -7.299 7.668 1.00 0.00 H new ATOM 0 HA3 GLY B 43 17.905 -8.268 8.669 1.00 0.00 H new ATOM 692 N ALA B 44 16.295 -7.479 6.084 1.00 0.00 N ATOM 693 CA ALA B 44 15.626 -7.936 4.878 1.00 0.00 C ATOM 694 C ALA B 44 15.854 -6.945 3.749 1.00 0.00 C ATOM 695 O ALA B 44 16.398 -5.863 3.977 1.00 0.00 O ATOM 696 CB ALA B 44 14.138 -8.126 5.132 1.00 0.00 C ATOM 0 H ALA B 44 15.918 -6.614 6.472 1.00 0.00 H new ATOM 0 HA ALA B 44 16.046 -8.899 4.588 1.00 0.00 H new ATOM 0 HB1 ALA B 44 13.654 -8.468 4.218 1.00 0.00 H new ATOM 0 HB2 ALA B 44 13.995 -8.867 5.918 1.00 0.00 H new ATOM 0 HB3 ALA B 44 13.698 -7.178 5.443 1.00 0.00 H new ATOM 702 N ALA B 45 15.449 -7.308 2.540 1.00 0.00 N ATOM 703 CA ALA B 45 15.561 -6.404 1.400 1.00 0.00 C ATOM 704 C ALA B 45 14.709 -5.158 1.619 1.00 0.00 C ATOM 705 O ALA B 45 14.951 -4.104 1.028 1.00 0.00 O ATOM 706 CB ALA B 45 15.149 -7.112 0.121 1.00 0.00 C ATOM 0 H ALA B 45 15.042 -8.217 2.322 1.00 0.00 H new ATOM 0 HA ALA B 45 16.602 -6.095 1.305 1.00 0.00 H new ATOM 0 HB1 ALA B 45 15.238 -6.425 -0.720 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.797 -7.973 -0.043 1.00 0.00 H new ATOM 0 HB3 ALA B 45 14.116 -7.448 0.208 1.00 0.00 H new ATOM 712 N TYR B 46 13.733 -5.288 2.505 1.00 0.00 N ATOM 713 CA TYR B 46 12.834 -4.211 2.835 1.00 0.00 C ATOM 714 C TYR B 46 12.972 -3.895 4.309 1.00 0.00 C ATOM 715 O TYR B 46 13.164 -4.792 5.128 1.00 0.00 O ATOM 716 CB TYR B 46 11.390 -4.583 2.481 1.00 0.00 C ATOM 717 CG TYR B 46 11.081 -6.050 2.657 1.00 0.00 C ATOM 718 CD1 TYR B 46 10.818 -6.584 3.911 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.071 -6.906 1.562 1.00 0.00 C ATOM 720 CE1 TYR B 46 10.552 -7.928 4.069 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.808 -8.251 1.715 1.00 0.00 C ATOM 722 CZ TYR B 46 10.549 -8.757 2.968 1.00 0.00 C ATOM 723 OH TYR B 46 10.297 -10.096 3.123 1.00 0.00 O ATOM 0 H TYR B 46 13.548 -6.152 3.014 1.00 0.00 H new ATOM 0 HA TYR B 46 13.091 -3.326 2.253 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.711 -4.000 3.104 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.195 -4.301 1.446 1.00 0.00 H new ATOM 0 HD1 TYR B 46 10.822 -5.937 4.776 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.272 -6.512 0.577 1.00 0.00 H new ATOM 0 HE1 TYR B 46 10.347 -8.329 5.051 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.805 -8.904 0.855 1.00 0.00 H new ATOM 0 HH TYR B 46 10.956 -10.614 2.615 1.00 0.00 H new ATOM 733 N LYS B 47 12.912 -2.625 4.634 1.00 0.00 N ATOM 734 CA LYS B 47 13.119 -2.174 5.997 1.00 0.00 C ATOM 735 C LYS B 47 11.791 -1.782 6.616 1.00 0.00 C ATOM 736 O LYS B 47 11.670 -1.625 7.831 1.00 0.00 O ATOM 737 CB LYS B 47 14.088 -0.986 6.042 1.00 0.00 C ATOM 738 CG LYS B 47 15.526 -1.320 5.636 1.00 0.00 C ATOM 739 CD LYS B 47 15.648 -1.688 4.161 1.00 0.00 C ATOM 740 CE LYS B 47 15.248 -0.537 3.249 1.00 0.00 C ATOM 741 NZ LYS B 47 15.123 -0.973 1.836 1.00 0.00 N ATOM 0 H LYS B 47 12.720 -1.876 3.968 1.00 0.00 H new ATOM 0 HA LYS B 47 13.557 -2.993 6.567 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.712 -0.202 5.385 1.00 0.00 H new ATOM 0 HB3 LYS B 47 14.095 -0.578 7.053 1.00 0.00 H new ATOM 0 HG2 LYS B 47 16.167 -0.464 5.848 1.00 0.00 H new ATOM 0 HG3 LYS B 47 15.888 -2.148 6.245 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.675 -1.981 3.945 1.00 0.00 H new ATOM 0 HD3 LYS B 47 15.019 -2.553 3.950 1.00 0.00 H new ATOM 0 HE2 LYS B 47 14.299 -0.119 3.586 1.00 0.00 H new ATOM 0 HE3 LYS B 47 15.990 0.258 3.320 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 15.137 -0.140 1.213 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 15.917 -1.599 1.594 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.227 -1.486 1.709 1.00 0.00 H new ATOM 755 N LEU B 48 10.801 -1.613 5.766 1.00 0.00 N ATOM 756 CA LEU B 48 9.462 -1.290 6.213 1.00 0.00 C ATOM 757 C LEU B 48 8.441 -2.093 5.415 1.00 0.00 C ATOM 758 O LEU B 48 8.502 -2.147 4.186 1.00 0.00 O ATOM 759 CB LEU B 48 9.207 0.214 6.058 1.00 0.00 C ATOM 760 CG LEU B 48 8.429 0.881 7.199 1.00 0.00 C ATOM 761 CD1 LEU B 48 7.032 0.313 7.319 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.158 0.716 8.517 1.00 0.00 C ATOM 0 H LEU B 48 10.899 -1.695 4.754 1.00 0.00 H new ATOM 0 HA LEU B 48 9.362 -1.551 7.267 1.00 0.00 H new ATOM 0 HB2 LEU B 48 10.168 0.718 5.956 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.662 0.377 5.128 1.00 0.00 H new ATOM 0 HG LEU B 48 8.354 1.942 6.962 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.507 0.807 8.137 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.491 0.479 6.388 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.090 -0.757 7.519 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.587 1.197 9.311 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.269 -0.345 8.741 1.00 0.00 H new ATOM 0 HD23 LEU B 48 10.143 1.177 8.448 1.00 0.00 H new ATOM 774 N ARG B 49 7.524 -2.735 6.120 1.00 0.00 N ATOM 775 CA ARG B 49 6.457 -3.490 5.483 1.00 0.00 C ATOM 776 C ARG B 49 5.107 -2.916 5.883 1.00 0.00 C ATOM 777 O ARG B 49 4.796 -2.815 7.070 1.00 0.00 O ATOM 778 CB ARG B 49 6.518 -4.960 5.891 1.00 0.00 C ATOM 779 CG ARG B 49 5.552 -5.843 5.122 1.00 0.00 C ATOM 780 CD ARG B 49 5.280 -7.146 5.856 1.00 0.00 C ATOM 781 NE ARG B 49 4.453 -6.936 7.045 1.00 0.00 N ATOM 782 CZ ARG B 49 3.667 -7.873 7.577 1.00 0.00 C ATOM 783 NH1 ARG B 49 3.653 -9.098 7.063 1.00 0.00 N ATOM 784 NH2 ARG B 49 2.905 -7.592 8.631 1.00 0.00 N ATOM 0 H ARG B 49 7.497 -2.748 7.140 1.00 0.00 H new ATOM 0 HA ARG B 49 6.584 -3.416 4.403 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.533 -5.329 5.741 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.303 -5.042 6.956 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.614 -5.309 4.967 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.962 -6.059 4.135 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.781 -7.844 5.184 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.225 -7.604 6.147 1.00 0.00 H new ATOM 0 HE ARG B 49 4.479 -6.020 7.493 1.00 0.00 H new ATOM 0 HH11 ARG B 49 4.243 -9.322 6.262 1.00 0.00 H new ATOM 0 HH12 ARG B 49 3.052 -9.815 7.470 1.00 0.00 H new ATOM 0 HH21 ARG B 49 2.920 -6.656 9.036 1.00 0.00 H new ATOM 0 HH22 ARG B 49 2.306 -8.313 9.034 1.00 0.00 H new ATOM 798 N ILE B 50 4.315 -2.533 4.898 1.00 0.00 N ATOM 799 CA ILE B 50 3.005 -1.963 5.161 1.00 0.00 C ATOM 800 C ILE B 50 1.934 -2.822 4.497 1.00 0.00 C ATOM 801 O ILE B 50 2.018 -3.131 3.309 1.00 0.00 O ATOM 802 CB ILE B 50 2.870 -0.493 4.666 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.038 0.396 5.120 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.576 0.108 5.183 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.353 0.134 4.420 1.00 0.00 C ATOM 0 H ILE B 50 4.555 -2.606 3.909 1.00 0.00 H new ATOM 0 HA ILE B 50 2.874 -1.950 6.243 1.00 0.00 H new ATOM 0 HB ILE B 50 2.877 -0.528 3.577 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.763 1.439 4.964 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.182 0.261 6.192 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.487 1.137 4.833 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.732 -0.475 4.815 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.578 0.094 6.273 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.114 0.811 4.809 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.660 -0.897 4.596 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.234 0.299 3.349 1.00 0.00 H new ATOM 817 N LEU B 51 0.953 -3.225 5.281 1.00 0.00 N ATOM 818 CA LEU B 51 -0.124 -4.077 4.805 1.00 0.00 C ATOM 819 C LEU B 51 -1.421 -3.293 4.749 1.00 0.00 C ATOM 820 O LEU B 51 -1.949 -2.890 5.780 1.00 0.00 O ATOM 821 CB LEU B 51 -0.289 -5.286 5.735 1.00 0.00 C ATOM 822 CG LEU B 51 0.344 -6.595 5.254 1.00 0.00 C ATOM 823 CD1 LEU B 51 -0.429 -7.152 4.073 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.804 -6.391 4.880 1.00 0.00 C ATOM 0 H LEU B 51 0.878 -2.972 6.266 1.00 0.00 H new ATOM 0 HA LEU B 51 0.124 -4.429 3.804 1.00 0.00 H new ATOM 0 HB2 LEU B 51 0.139 -5.034 6.705 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.354 -5.457 5.891 1.00 0.00 H new ATOM 0 HG LEU B 51 0.301 -7.312 6.073 1.00 0.00 H new ATOM 0 HD11 LEU B 51 0.033 -8.082 3.742 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.460 -7.344 4.371 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -0.416 -6.430 3.256 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.229 -7.336 4.542 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.875 -5.655 4.080 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.356 -6.036 5.750 1.00 0.00 H new ATOM 836 N ILE B 52 -1.921 -3.055 3.550 1.00 0.00 N ATOM 837 CA ILE B 52 -3.177 -2.343 3.385 1.00 0.00 C ATOM 838 C ILE B 52 -4.176 -3.227 2.660 1.00 0.00 C ATOM 839 O ILE B 52 -4.082 -3.419 1.451 1.00 0.00 O ATOM 840 CB ILE B 52 -3.018 -1.026 2.588 1.00 0.00 C ATOM 841 CG1 ILE B 52 -1.883 -0.165 3.145 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.321 -0.245 2.602 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.530 -0.488 2.551 1.00 0.00 C ATOM 0 H ILE B 52 -1.478 -3.343 2.677 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.529 -2.091 4.385 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.765 -1.287 1.560 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.110 0.885 2.960 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.836 -0.295 4.226 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.197 0.680 2.038 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.109 -0.845 2.147 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.593 -0.009 3.631 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.226 0.161 2.993 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.281 -1.529 2.759 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.559 -0.330 1.473 1.00 0.00 H new ATOM 855 N GLU B 53 -5.123 -3.777 3.392 1.00 0.00 N ATOM 856 CA GLU B 53 -6.101 -4.656 2.781 1.00 0.00 C ATOM 857 C GLU B 53 -7.465 -3.992 2.740 1.00 0.00 C ATOM 858 O GLU B 53 -7.770 -3.116 3.552 1.00 0.00 O ATOM 859 CB GLU B 53 -6.175 -5.987 3.526 1.00 0.00 C ATOM 860 CG GLU B 53 -6.778 -5.881 4.911 1.00 0.00 C ATOM 861 CD GLU B 53 -6.620 -7.157 5.706 1.00 0.00 C ATOM 862 OE1 GLU B 53 -7.117 -8.211 5.253 1.00 0.00 O ATOM 863 OE2 GLU B 53 -6.001 -7.115 6.791 1.00 0.00 O ATOM 0 H GLU B 53 -5.237 -3.635 4.396 1.00 0.00 H new ATOM 0 HA GLU B 53 -5.784 -4.856 1.757 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -6.764 -6.690 2.937 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -5.171 -6.403 3.608 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.304 -5.060 5.449 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -7.837 -5.638 4.826 1.00 0.00 H new ATOM 870 N ASN B 54 -8.266 -4.401 1.778 1.00 0.00 N ATOM 871 CA ASN B 54 -9.604 -3.864 1.617 1.00 0.00 C ATOM 872 C ASN B 54 -10.604 -4.769 2.305 1.00 0.00 C ATOM 873 O ASN B 54 -10.880 -5.874 1.839 1.00 0.00 O ATOM 874 CB ASN B 54 -9.971 -3.751 0.143 1.00 0.00 C ATOM 875 CG ASN B 54 -11.214 -2.914 -0.094 1.00 0.00 C ATOM 876 OD1 ASN B 54 -11.948 -3.138 -1.053 1.00 0.00 O ATOM 877 ND2 ASN B 54 -11.461 -1.935 0.767 1.00 0.00 N ATOM 0 H ASN B 54 -8.012 -5.110 1.090 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.627 -2.870 2.064 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.135 -3.313 -0.402 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.129 -4.750 -0.265 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -12.281 -1.341 0.643 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -10.831 -1.776 1.553 1.00 0.00 H new ATOM 884 N LYS B 55 -11.134 -4.303 3.410 1.00 0.00 N ATOM 885 CA LYS B 55 -12.098 -5.067 4.170 1.00 0.00 C ATOM 886 C LYS B 55 -13.258 -4.179 4.593 1.00 0.00 C ATOM 887 O LYS B 55 -13.218 -3.525 5.633 1.00 0.00 O ATOM 888 CB LYS B 55 -11.415 -5.694 5.387 1.00 0.00 C ATOM 889 CG LYS B 55 -10.440 -4.753 6.084 1.00 0.00 C ATOM 890 CD LYS B 55 -9.704 -5.446 7.218 1.00 0.00 C ATOM 891 CE LYS B 55 -10.634 -5.782 8.368 1.00 0.00 C ATOM 892 NZ LYS B 55 -9.899 -6.387 9.510 1.00 0.00 N ATOM 0 H LYS B 55 -10.912 -3.390 3.807 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.497 -5.867 3.546 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.177 -6.009 6.100 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -10.881 -6.591 5.073 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.719 -4.374 5.360 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -10.982 -3.892 6.474 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.240 -6.360 6.846 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -8.900 -4.803 7.576 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -11.143 -4.877 8.701 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -11.404 -6.473 8.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -10.331 -6.078 10.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -9.946 -7.424 9.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -8.905 -6.083 9.483 1.00 0.00 H new ATOM 906 N ALA B 56 -14.285 -4.161 3.768 1.00 0.00 N ATOM 907 CA ALA B 56 -15.500 -3.417 4.068 1.00 0.00 C ATOM 908 C ALA B 56 -16.723 -4.259 3.725 1.00 0.00 C ATOM 909 O ALA B 56 -16.633 -5.173 2.907 1.00 0.00 O ATOM 910 CB ALA B 56 -15.512 -2.100 3.305 1.00 0.00 C ATOM 0 H ALA B 56 -14.306 -4.656 2.876 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.528 -3.190 5.134 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.426 -1.553 3.538 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.648 -1.503 3.596 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.471 -2.300 2.234 1.00 0.00 H new ATOM 1027 N PHE B 64 -5.713 1.644 -8.603 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.587 1.972 -7.744 1.00 0.00 C ATOM 1029 C PHE B 64 -3.511 2.711 -8.516 1.00 0.00 C ATOM 1030 O PHE B 64 -2.954 2.189 -9.486 1.00 0.00 O ATOM 1031 CB PHE B 64 -4.001 0.710 -7.110 1.00 0.00 C ATOM 1032 CG PHE B 64 -4.858 0.139 -6.022 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -4.858 0.714 -4.763 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -5.663 -0.963 -6.253 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -5.644 0.199 -3.751 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -6.451 -1.483 -5.245 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.442 -0.901 -3.992 1.00 0.00 C ATOM 0 HA PHE B 64 -4.955 2.624 -6.952 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -3.859 -0.044 -7.884 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.016 0.940 -6.704 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -4.236 1.576 -4.570 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -5.675 -1.421 -7.231 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -5.634 0.656 -2.773 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -7.074 -2.344 -5.436 1.00 0.00 H new ATOM 0 HZ PHE B 64 -7.058 -1.306 -3.203 1.00 0.00 H new ATOM 1047 N SER B 65 -3.225 3.927 -8.082 1.00 0.00 N ATOM 1048 CA SER B 65 -2.180 4.731 -8.689 1.00 0.00 C ATOM 1049 C SER B 65 -1.383 5.449 -7.605 1.00 0.00 C ATOM 1050 O SER B 65 -1.600 6.629 -7.332 1.00 0.00 O ATOM 1051 CB SER B 65 -2.792 5.741 -9.660 1.00 0.00 C ATOM 1052 OG SER B 65 -3.562 5.085 -10.654 1.00 0.00 O ATOM 0 H SER B 65 -3.706 4.381 -7.306 1.00 0.00 H new ATOM 0 HA SER B 65 -1.506 4.080 -9.246 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.420 6.443 -9.112 1.00 0.00 H new ATOM 0 HB3 SER B 65 -2.001 6.323 -10.132 1.00 0.00 H new ATOM 0 HG SER B 65 -3.945 5.750 -11.263 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.446 4.734 -6.975 1.00 0.00 N ATOM 1059 CA PRO B 66 0.385 5.282 -5.914 1.00 0.00 C ATOM 1060 C PRO B 66 1.577 6.054 -6.458 1.00 0.00 C ATOM 1061 O PRO B 66 1.965 5.898 -7.618 1.00 0.00 O ATOM 1062 CB PRO B 66 0.854 4.031 -5.176 1.00 0.00 C ATOM 1063 CG PRO B 66 0.944 2.996 -6.236 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.134 3.319 -7.238 1.00 0.00 C ATOM 0 HA PRO B 66 -0.153 5.995 -5.289 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.818 4.191 -4.693 1.00 0.00 H new ATOM 0 HB3 PRO B 66 0.150 3.742 -4.395 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.927 3.006 -6.706 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.801 1.999 -5.819 1.00 0.00 H new ATOM 0 HD2 PRO B 66 0.213 3.169 -8.261 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.010 2.684 -7.102 1.00 0.00 H new ATOM 1072 N SER B 67 2.162 6.872 -5.610 1.00 0.00 N ATOM 1073 CA SER B 67 3.305 7.673 -6.000 1.00 0.00 C ATOM 1074 C SER B 67 4.039 8.188 -4.774 1.00 0.00 C ATOM 1075 O SER B 67 3.424 8.622 -3.795 1.00 0.00 O ATOM 1076 CB SER B 67 2.881 8.832 -6.910 1.00 0.00 C ATOM 1077 OG SER B 67 1.857 9.609 -6.318 1.00 0.00 O ATOM 0 H SER B 67 1.865 7.001 -4.643 1.00 0.00 H new ATOM 0 HA SER B 67 3.987 7.038 -6.566 1.00 0.00 H new ATOM 0 HB2 SER B 67 3.743 9.465 -7.121 1.00 0.00 H new ATOM 0 HB3 SER B 67 2.534 8.438 -7.865 1.00 0.00 H new ATOM 0 HG SER B 67 1.078 9.042 -6.140 1.00 0.00 H new ATOM 1083 N TYR B 68 5.353 8.107 -4.830 1.00 0.00 N ATOM 1084 CA TYR B 68 6.195 8.540 -3.739 1.00 0.00 C ATOM 1085 C TYR B 68 6.726 9.938 -4.000 1.00 0.00 C ATOM 1086 O TYR B 68 7.470 10.169 -4.956 1.00 0.00 O ATOM 1087 CB TYR B 68 7.357 7.564 -3.541 1.00 0.00 C ATOM 1088 CG TYR B 68 8.386 8.060 -2.556 1.00 0.00 C ATOM 1089 CD1 TYR B 68 8.069 8.216 -1.214 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.667 8.392 -2.974 1.00 0.00 C ATOM 1091 CE1 TYR B 68 9.002 8.694 -0.316 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.606 8.864 -2.076 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.267 9.017 -0.753 1.00 0.00 C ATOM 1094 OH TYR B 68 11.194 9.509 0.139 1.00 0.00 O ATOM 0 H TYR B 68 5.864 7.740 -5.633 1.00 0.00 H new ATOM 0 HA TYR B 68 5.595 8.559 -2.829 1.00 0.00 H new ATOM 0 HB2 TYR B 68 6.965 6.607 -3.197 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.840 7.384 -4.502 1.00 0.00 H new ATOM 0 HD1 TYR B 68 7.079 7.960 -0.867 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.934 8.280 -4.015 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.741 8.814 0.725 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.602 9.111 -2.413 1.00 0.00 H new ATOM 0 HH TYR B 68 12.037 9.686 -0.329 1.00 0.00 H new ATOM 1104 N ASN B 69 6.330 10.872 -3.159 1.00 0.00 N ATOM 1105 CA ASN B 69 6.827 12.232 -3.249 1.00 0.00 C ATOM 1106 C ASN B 69 7.985 12.446 -2.287 1.00 0.00 C ATOM 1107 O ASN B 69 7.808 12.394 -1.070 1.00 0.00 O ATOM 1108 CB ASN B 69 5.711 13.250 -2.986 1.00 0.00 C ATOM 1109 CG ASN B 69 4.749 12.827 -1.893 1.00 0.00 C ATOM 1110 OD1 ASN B 69 3.730 12.192 -2.160 1.00 0.00 O ATOM 1111 ND2 ASN B 69 5.058 13.183 -0.661 1.00 0.00 N ATOM 0 H ASN B 69 5.664 10.714 -2.403 1.00 0.00 H new ATOM 0 HA ASN B 69 7.189 12.388 -4.265 1.00 0.00 H new ATOM 0 HB2 ASN B 69 6.159 14.206 -2.714 1.00 0.00 H new ATOM 0 HB3 ASN B 69 5.152 13.411 -3.908 1.00 0.00 H new ATOM 0 HD21 ASN B 69 4.442 12.932 0.112 1.00 0.00 H new ATOM 0 HD22 ASN B 69 5.913 13.709 -0.482 1.00 0.00 H new ATOM 1118 N PHE B 70 9.168 12.696 -2.846 1.00 0.00 N ATOM 1119 CA PHE B 70 10.380 12.898 -2.054 1.00 0.00 C ATOM 1120 C PHE B 70 10.246 14.139 -1.186 1.00 0.00 C ATOM 1121 O PHE B 70 10.890 14.259 -0.146 1.00 0.00 O ATOM 1122 CB PHE B 70 11.604 13.050 -2.965 1.00 0.00 C ATOM 1123 CG PHE B 70 11.939 11.826 -3.767 1.00 0.00 C ATOM 1124 CD1 PHE B 70 11.286 11.559 -4.957 1.00 0.00 C ATOM 1125 CD2 PHE B 70 12.918 10.949 -3.334 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.600 10.440 -5.701 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.239 9.826 -4.072 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.578 9.571 -5.258 1.00 0.00 C ATOM 0 H PHE B 70 9.313 12.764 -3.853 1.00 0.00 H new ATOM 0 HA PHE B 70 10.514 12.023 -1.418 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.431 13.881 -3.649 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.466 13.315 -2.353 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.521 12.235 -5.308 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.438 11.145 -2.408 1.00 0.00 H new ATOM 0 HE1 PHE B 70 11.082 10.244 -6.628 1.00 0.00 H new ATOM 0 HE2 PHE B 70 14.005 9.149 -3.723 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.825 8.694 -5.838 1.00 0.00 H new ATOM 1138 N ALA B 71 9.396 15.054 -1.633 1.00 0.00 N ATOM 1139 CA ALA B 71 9.150 16.306 -0.927 1.00 0.00 C ATOM 1140 C ALA B 71 8.749 16.069 0.527 1.00 0.00 C ATOM 1141 O ALA B 71 9.291 16.691 1.441 1.00 0.00 O ATOM 1142 CB ALA B 71 8.074 17.097 -1.652 1.00 0.00 C ATOM 0 H ALA B 71 8.858 14.950 -2.493 1.00 0.00 H new ATOM 0 HA ALA B 71 10.078 16.877 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA B 71 7.891 18.032 -1.123 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.404 17.313 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.154 16.514 -1.686 1.00 0.00 H new ATOM 1148 N GLU B 72 7.810 15.161 0.738 1.00 0.00 N ATOM 1149 CA GLU B 72 7.325 14.870 2.081 1.00 0.00 C ATOM 1150 C GLU B 72 7.731 13.466 2.497 1.00 0.00 C ATOM 1151 O GLU B 72 7.345 12.994 3.563 1.00 0.00 O ATOM 1152 CB GLU B 72 5.804 14.978 2.138 1.00 0.00 C ATOM 1153 CG GLU B 72 5.222 16.062 1.245 1.00 0.00 C ATOM 1154 CD GLU B 72 3.712 16.135 1.326 1.00 0.00 C ATOM 1155 OE1 GLU B 72 3.032 15.406 0.569 1.00 0.00 O ATOM 1156 OE2 GLU B 72 3.196 16.926 2.143 1.00 0.00 O ATOM 0 H GLU B 72 7.368 14.613 -0.000 1.00 0.00 H new ATOM 0 HA GLU B 72 7.767 15.598 2.761 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.372 14.018 1.854 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.503 15.171 3.168 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.644 17.026 1.528 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.518 15.875 0.213 1.00 0.00 H new ATOM 1163 N ASN B 73 8.502 12.817 1.616 1.00 0.00 N ATOM 1164 CA ASN B 73 8.913 11.410 1.753 1.00 0.00 C ATOM 1165 C ASN B 73 7.725 10.511 2.104 1.00 0.00 C ATOM 1166 O ASN B 73 7.810 9.629 2.963 1.00 0.00 O ATOM 1167 CB ASN B 73 10.082 11.224 2.749 1.00 0.00 C ATOM 1168 CG ASN B 73 9.792 11.730 4.148 1.00 0.00 C ATOM 1169 OD1 ASN B 73 10.121 12.865 4.494 1.00 0.00 O ATOM 1170 ND2 ASN B 73 9.177 10.896 4.961 1.00 0.00 N ATOM 0 H ASN B 73 8.865 13.261 0.772 1.00 0.00 H new ATOM 0 HA ASN B 73 9.288 11.100 0.778 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.334 10.165 2.803 1.00 0.00 H new ATOM 0 HB3 ASN B 73 10.960 11.741 2.362 1.00 0.00 H new ATOM 0 HD21 ASN B 73 8.957 11.183 5.915 1.00 0.00 H new ATOM 0 HD22 ASN B 73 8.921 9.964 4.637 1.00 0.00 H new ATOM 1177 N ILE B 74 6.620 10.720 1.398 1.00 0.00 N ATOM 1178 CA ILE B 74 5.398 9.975 1.653 1.00 0.00 C ATOM 1179 C ILE B 74 4.924 9.255 0.395 1.00 0.00 C ATOM 1180 O ILE B 74 4.969 9.805 -0.706 1.00 0.00 O ATOM 1181 CB ILE B 74 4.299 10.916 2.192 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.708 11.422 3.575 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.945 10.216 2.250 1.00 0.00 C ATOM 1184 CD1 ILE B 74 3.994 12.676 4.008 1.00 0.00 C ATOM 0 H ILE B 74 6.548 11.402 0.643 1.00 0.00 H new ATOM 0 HA ILE B 74 5.610 9.220 2.410 1.00 0.00 H new ATOM 0 HB ILE B 74 4.194 11.761 1.512 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.518 10.638 4.308 1.00 0.00 H new ATOM 0 HG13 ILE B 74 5.782 11.609 3.579 1.00 0.00 H new ATOM 0 HG21 ILE B 74 2.194 10.907 2.634 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.661 9.890 1.249 1.00 0.00 H new ATOM 0 HG23 ILE B 74 3.011 9.350 2.908 1.00 0.00 H new ATOM 0 HD11 ILE B 74 4.341 12.968 4.999 1.00 0.00 H new ATOM 0 HD12 ILE B 74 4.203 13.477 3.299 1.00 0.00 H new ATOM 0 HD13 ILE B 74 2.920 12.491 4.039 1.00 0.00 H new ATOM 1196 N LEU B 75 4.503 8.012 0.572 1.00 0.00 N ATOM 1197 CA LEU B 75 3.993 7.195 -0.515 1.00 0.00 C ATOM 1198 C LEU B 75 2.482 7.061 -0.368 1.00 0.00 C ATOM 1199 O LEU B 75 1.989 6.335 0.493 1.00 0.00 O ATOM 1200 CB LEU B 75 4.701 5.820 -0.486 1.00 0.00 C ATOM 1201 CG LEU B 75 4.316 4.788 -1.563 1.00 0.00 C ATOM 1202 CD1 LEU B 75 3.069 4.015 -1.166 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.116 5.453 -2.914 1.00 0.00 C ATOM 0 H LEU B 75 4.506 7.541 1.477 1.00 0.00 H new ATOM 0 HA LEU B 75 4.197 7.658 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.774 5.995 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.517 5.370 0.489 1.00 0.00 H new ATOM 0 HG LEU B 75 5.143 4.083 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.823 3.295 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU B 75 3.251 3.487 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.237 4.708 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU B 75 3.845 4.700 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.319 6.193 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.040 5.944 -3.218 1.00 0.00 H new ATOM 1215 N TYR B 76 1.741 7.792 -1.181 1.00 0.00 N ATOM 1216 CA TYR B 76 0.292 7.724 -1.116 1.00 0.00 C ATOM 1217 C TYR B 76 -0.208 6.661 -2.082 1.00 0.00 C ATOM 1218 O TYR B 76 0.338 6.496 -3.172 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.342 9.100 -1.395 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.934 9.283 -2.777 1.00 0.00 C ATOM 1221 CD1 TYR B 76 -2.235 8.877 -3.057 1.00 0.00 C ATOM 1222 CD2 TYR B 76 -0.206 9.884 -3.792 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -2.787 9.058 -4.308 1.00 0.00 C ATOM 1224 CE2 TYR B 76 -0.756 10.074 -5.046 1.00 0.00 C ATOM 1225 CZ TYR B 76 -2.046 9.658 -5.298 1.00 0.00 C ATOM 1226 OH TYR B 76 -2.596 9.845 -6.547 1.00 0.00 O ATOM 0 H TYR B 76 2.111 8.431 -1.885 1.00 0.00 H new ATOM 0 HA TYR B 76 -0.010 7.442 -0.107 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -1.126 9.274 -0.658 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.417 9.867 -1.241 1.00 0.00 H new ATOM 0 HD1 TYR B 76 -2.824 8.411 -2.280 1.00 0.00 H new ATOM 0 HD2 TYR B 76 0.806 10.209 -3.600 1.00 0.00 H new ATOM 0 HE1 TYR B 76 -3.796 8.730 -4.509 1.00 0.00 H new ATOM 0 HE2 TYR B 76 -0.177 10.547 -5.826 1.00 0.00 H new ATOM 0 HH TYR B 76 -1.942 10.283 -7.130 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.230 5.928 -1.661 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.720 4.790 -2.426 1.00 0.00 C ATOM 1238 C ILE B 77 -2.889 5.176 -3.318 1.00 0.00 C ATOM 1239 O ILE B 77 -2.922 4.850 -4.505 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.175 3.646 -1.492 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -0.987 3.078 -0.711 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -2.871 2.546 -2.284 1.00 0.00 C ATOM 1243 CD1 ILE B 77 0.041 2.389 -1.582 1.00 0.00 C ATOM 0 H ILE B 77 -1.736 6.102 -0.793 1.00 0.00 H new ATOM 0 HA ILE B 77 -0.890 4.453 -3.046 1.00 0.00 H new ATOM 0 HB ILE B 77 -2.889 4.056 -0.778 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.503 3.887 -0.164 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.356 2.369 0.030 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.183 1.751 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -3.746 2.958 -2.787 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.183 2.141 -3.026 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.852 2.013 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.427 1.558 -2.109 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.439 3.100 -2.306 1.00 0.00 H new ATOM 1255 N ASN B 78 -3.848 5.867 -2.734 1.00 0.00 N ATOM 1256 CA ASN B 78 -5.104 6.138 -3.408 1.00 0.00 C ATOM 1257 C ASN B 78 -5.733 7.379 -2.804 1.00 0.00 C ATOM 1258 O ASN B 78 -5.257 7.874 -1.782 1.00 0.00 O ATOM 1259 CB ASN B 78 -6.034 4.934 -3.221 1.00 0.00 C ATOM 1260 CG ASN B 78 -7.013 4.750 -4.360 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -7.428 5.707 -5.012 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -7.393 3.507 -4.605 1.00 0.00 N ATOM 0 H ASN B 78 -3.782 6.252 -1.792 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.936 6.304 -4.472 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -5.432 4.031 -3.120 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -6.589 5.053 -2.290 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -8.054 3.315 -5.358 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -7.025 2.741 -4.041 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.808 7.864 -3.414 1.00 0.00 N ATOM 1270 CA GLY B 79 -7.531 9.003 -2.873 1.00 0.00 C ATOM 1271 C GLY B 79 -8.367 8.617 -1.668 1.00 0.00 C ATOM 1272 O GLY B 79 -9.491 9.082 -1.497 1.00 0.00 O ATOM 0 H GLY B 79 -7.195 7.487 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -6.823 9.782 -2.590 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -8.177 9.424 -3.644 1.00 0.00 H new ATOM 1276 N LYS B 80 -7.805 7.743 -0.849 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.455 7.243 0.347 1.00 0.00 C ATOM 1278 C LYS B 80 -7.496 7.367 1.522 1.00 0.00 C ATOM 1279 O LYS B 80 -7.884 7.752 2.624 1.00 0.00 O ATOM 1280 CB LYS B 80 -8.836 5.766 0.173 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.519 5.440 -1.146 1.00 0.00 C ATOM 1282 CD LYS B 80 -10.886 6.095 -1.258 1.00 0.00 C ATOM 1283 CE LYS B 80 -11.623 5.631 -2.508 1.00 0.00 C ATOM 1284 NZ LYS B 80 -12.986 6.217 -2.607 1.00 0.00 N ATOM 0 H LYS B 80 -6.873 7.357 -1.000 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.358 7.826 0.528 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -7.935 5.159 0.260 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -9.496 5.476 0.990 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -8.890 5.772 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -9.626 4.359 -1.241 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -11.479 5.857 -0.375 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -10.771 7.179 -1.282 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -11.046 5.906 -3.391 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -11.697 4.544 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -13.450 5.874 -3.472 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -13.547 5.934 -1.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -12.916 7.254 -2.640 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.229 7.045 1.262 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.210 7.019 2.305 1.00 0.00 C ATOM 1300 C LEU B 81 -3.796 7.161 1.736 1.00 0.00 C ATOM 1301 O LEU B 81 -3.530 6.832 0.572 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.318 5.745 3.156 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.661 4.446 2.414 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.613 4.108 1.366 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -5.794 3.307 3.407 1.00 0.00 C ATOM 0 H LEU B 81 -5.885 6.798 0.334 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.396 7.882 2.945 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.370 5.601 3.674 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.077 5.910 3.921 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.610 4.592 1.898 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -4.889 3.182 0.861 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.554 4.916 0.637 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.643 3.983 1.848 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.038 2.387 2.875 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -4.853 3.179 3.942 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.587 3.536 4.119 1.00 0.00 H new ATOM 1317 N SER B 82 -2.902 7.674 2.566 1.00 0.00 N ATOM 1318 CA SER B 82 -1.506 7.828 2.202 1.00 0.00 C ATOM 1319 C SER B 82 -0.613 7.146 3.235 1.00 0.00 C ATOM 1320 O SER B 82 -0.936 7.129 4.423 1.00 0.00 O ATOM 1321 CB SER B 82 -1.162 9.312 2.094 1.00 0.00 C ATOM 1322 OG SER B 82 -1.503 10.001 3.286 1.00 0.00 O ATOM 0 H SER B 82 -3.125 7.994 3.509 1.00 0.00 H new ATOM 0 HA SER B 82 -1.335 7.355 1.235 1.00 0.00 H new ATOM 0 HB2 SER B 82 -0.097 9.428 1.895 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.694 9.752 1.251 1.00 0.00 H new ATOM 0 HG SER B 82 -1.272 10.949 3.193 1.00 0.00 H new ATOM 1328 N ILE B 83 0.497 6.578 2.786 1.00 0.00 N ATOM 1329 CA ILE B 83 1.403 5.872 3.680 1.00 0.00 C ATOM 1330 C ILE B 83 2.723 6.633 3.824 1.00 0.00 C ATOM 1331 O ILE B 83 3.582 6.586 2.941 1.00 0.00 O ATOM 1332 CB ILE B 83 1.687 4.439 3.170 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.376 3.655 3.000 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.626 3.709 4.119 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.434 3.515 4.275 1.00 0.00 C ATOM 0 H ILE B 83 0.791 6.592 1.810 1.00 0.00 H new ATOM 0 HA ILE B 83 0.918 5.808 4.654 1.00 0.00 H new ATOM 0 HB ILE B 83 2.172 4.513 2.196 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.236 4.151 2.247 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.607 2.660 2.619 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.814 2.703 3.743 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.568 4.252 4.188 1.00 0.00 H new ATOM 0 HG23 ILE B 83 2.170 3.648 5.107 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.343 2.950 4.069 1.00 0.00 H new ATOM 0 HD12 ILE B 83 0.157 2.991 5.026 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.699 4.504 4.648 1.00 0.00 H new ATOM 1347 N PRO B 84 2.888 7.377 4.927 1.00 0.00 N ATOM 1348 CA PRO B 84 4.124 8.106 5.213 1.00 0.00 C ATOM 1349 C PRO B 84 5.262 7.173 5.588 1.00 0.00 C ATOM 1350 O PRO B 84 5.058 6.165 6.269 1.00 0.00 O ATOM 1351 CB PRO B 84 3.765 8.999 6.408 1.00 0.00 C ATOM 1352 CG PRO B 84 2.281 8.935 6.514 1.00 0.00 C ATOM 1353 CD PRO B 84 1.888 7.592 5.978 1.00 0.00 C ATOM 0 HA PRO B 84 4.470 8.663 4.342 1.00 0.00 H new ATOM 0 HB2 PRO B 84 4.240 8.643 7.322 1.00 0.00 H new ATOM 0 HB3 PRO B 84 4.104 10.023 6.250 1.00 0.00 H new ATOM 0 HG2 PRO B 84 1.958 9.052 7.548 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.814 9.736 5.941 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.930 6.819 6.745 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.873 7.593 5.581 1.00 0.00 H new ATOM 1361 N LEU B 85 6.459 7.507 5.149 1.00 0.00 N ATOM 1362 CA LEU B 85 7.629 6.703 5.462 1.00 0.00 C ATOM 1363 C LEU B 85 8.483 7.410 6.498 1.00 0.00 C ATOM 1364 O LEU B 85 8.592 8.636 6.483 1.00 0.00 O ATOM 1365 CB LEU B 85 8.464 6.418 4.205 1.00 0.00 C ATOM 1366 CG LEU B 85 7.781 5.570 3.125 1.00 0.00 C ATOM 1367 CD1 LEU B 85 7.016 4.410 3.748 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.865 6.422 2.264 1.00 0.00 C ATOM 0 H LEU B 85 6.650 8.328 4.575 1.00 0.00 H new ATOM 0 HA LEU B 85 7.284 5.750 5.863 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.755 7.370 3.762 1.00 0.00 H new ATOM 0 HB3 LEU B 85 9.382 5.914 4.509 1.00 0.00 H new ATOM 0 HG LEU B 85 8.558 5.156 2.482 1.00 0.00 H new ATOM 0 HD11 LEU B 85 6.541 3.824 2.962 1.00 0.00 H new ATOM 0 HD12 LEU B 85 7.706 3.777 4.306 1.00 0.00 H new ATOM 0 HD13 LEU B 85 6.253 4.798 4.423 1.00 0.00 H new ATOM 0 HD21 LEU B 85 6.393 5.797 1.506 1.00 0.00 H new ATOM 0 HD22 LEU B 85 6.097 6.877 2.889 1.00 0.00 H new ATOM 0 HD23 LEU B 85 7.447 7.205 1.778 1.00 0.00 H new ATOM 1380 N PRO B 86 9.078 6.652 7.430 1.00 0.00 N ATOM 1381 CA PRO B 86 9.975 7.214 8.434 1.00 0.00 C ATOM 1382 C PRO B 86 11.212 7.821 7.791 1.00 0.00 C ATOM 1383 O PRO B 86 11.790 7.247 6.864 1.00 0.00 O ATOM 1384 CB PRO B 86 10.356 6.019 9.310 1.00 0.00 C ATOM 1385 CG PRO B 86 10.069 4.820 8.479 1.00 0.00 C ATOM 1386 CD PRO B 86 8.927 5.194 7.576 1.00 0.00 C ATOM 0 HA PRO B 86 9.505 8.019 8.999 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.407 6.059 9.594 1.00 0.00 H new ATOM 0 HB3 PRO B 86 9.776 6.006 10.233 1.00 0.00 H new ATOM 0 HG2 PRO B 86 10.945 4.531 7.898 1.00 0.00 H new ATOM 0 HG3 PRO B 86 9.806 3.967 9.105 1.00 0.00 H new ATOM 0 HD2 PRO B 86 8.990 4.684 6.615 1.00 0.00 H new ATOM 0 HD3 PRO B 86 7.964 4.931 8.014 1.00 0.00 H new ATOM 1394 N ARG B 87 11.628 8.967 8.302 1.00 0.00 N ATOM 1395 CA ARG B 87 12.728 9.719 7.708 1.00 0.00 C ATOM 1396 C ARG B 87 14.070 9.060 8.002 1.00 0.00 C ATOM 1397 O ARG B 87 15.115 9.516 7.537 1.00 0.00 O ATOM 1398 CB ARG B 87 12.745 11.167 8.207 1.00 0.00 C ATOM 1399 CG ARG B 87 11.681 12.053 7.574 1.00 0.00 C ATOM 1400 CD ARG B 87 10.287 11.726 8.085 1.00 0.00 C ATOM 1401 NE ARG B 87 9.252 12.472 7.373 1.00 0.00 N ATOM 1402 CZ ARG B 87 7.953 12.400 7.658 1.00 0.00 C ATOM 1403 NH1 ARG B 87 7.534 11.658 8.675 1.00 0.00 N ATOM 1404 NH2 ARG B 87 7.076 13.071 6.922 1.00 0.00 N ATOM 0 H ARG B 87 11.221 9.401 9.130 1.00 0.00 H new ATOM 0 HA ARG B 87 12.567 9.722 6.630 1.00 0.00 H new ATOM 0 HB2 ARG B 87 12.609 11.169 9.288 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.727 11.597 8.009 1.00 0.00 H new ATOM 0 HG2 ARG B 87 11.908 13.098 7.784 1.00 0.00 H new ATOM 0 HG3 ARG B 87 11.707 11.933 6.491 1.00 0.00 H new ATOM 0 HD2 ARG B 87 10.103 10.657 7.976 1.00 0.00 H new ATOM 0 HD3 ARG B 87 10.229 11.953 9.150 1.00 0.00 H new ATOM 0 HE ARG B 87 9.542 13.085 6.611 1.00 0.00 H new ATOM 0 HH11 ARG B 87 8.207 11.141 9.241 1.00 0.00 H new ATOM 0 HH12 ARG B 87 6.539 11.605 8.891 1.00 0.00 H new ATOM 0 HH21 ARG B 87 7.397 13.641 6.139 1.00 0.00 H new ATOM 0 HH22 ARG B 87 6.081 13.017 7.139 1.00 0.00 H new ATOM 1418 N ASP B 88 14.038 7.986 8.778 1.00 0.00 N ATOM 1419 CA ASP B 88 15.250 7.251 9.101 1.00 0.00 C ATOM 1420 C ASP B 88 15.608 6.328 7.948 1.00 0.00 C ATOM 1421 O ASP B 88 16.754 5.900 7.797 1.00 0.00 O ATOM 1422 CB ASP B 88 15.055 6.443 10.387 1.00 0.00 C ATOM 1423 CG ASP B 88 16.316 5.728 10.828 1.00 0.00 C ATOM 1424 OD1 ASP B 88 17.186 6.377 11.447 1.00 0.00 O ATOM 1425 OD2 ASP B 88 16.439 4.512 10.573 1.00 0.00 O ATOM 0 H ASP B 88 13.188 7.606 9.194 1.00 0.00 H new ATOM 0 HA ASP B 88 16.065 7.958 9.259 1.00 0.00 H new ATOM 0 HB2 ASP B 88 14.724 7.110 11.183 1.00 0.00 H new ATOM 0 HB3 ASP B 88 14.262 5.711 10.234 1.00 0.00 H new ATOM 1430 N ILE B 89 14.620 6.060 7.114 1.00 0.00 N ATOM 1431 CA ILE B 89 14.783 5.147 6.004 1.00 0.00 C ATOM 1432 C ILE B 89 14.908 5.910 4.699 1.00 0.00 C ATOM 1433 O ILE B 89 14.118 6.812 4.412 1.00 0.00 O ATOM 1434 CB ILE B 89 13.597 4.170 5.917 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.464 3.398 7.230 1.00 0.00 C ATOM 1436 CG2 ILE B 89 13.763 3.211 4.743 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.320 2.416 7.242 1.00 0.00 C ATOM 0 H ILE B 89 13.688 6.468 7.188 1.00 0.00 H new ATOM 0 HA ILE B 89 15.697 4.577 6.174 1.00 0.00 H new ATOM 0 HB ILE B 89 12.686 4.744 5.750 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.393 2.862 7.422 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.331 4.108 8.047 1.00 0.00 H new ATOM 0 HG21 ILE B 89 12.911 2.532 4.705 1.00 0.00 H new ATOM 0 HG22 ILE B 89 13.816 3.779 3.814 1.00 0.00 H new ATOM 0 HG23 ILE B 89 14.680 2.636 4.870 1.00 0.00 H new ATOM 0 HD11 ILE B 89 12.288 1.906 8.205 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.382 2.948 7.082 1.00 0.00 H new ATOM 0 HD13 ILE B 89 12.461 1.683 6.448 1.00 0.00 H new ATOM 1449 N VAL B 90 15.907 5.551 3.921 1.00 0.00 N ATOM 1450 CA VAL B 90 16.098 6.142 2.613 1.00 0.00 C ATOM 1451 C VAL B 90 15.235 5.401 1.608 1.00 0.00 C ATOM 1452 O VAL B 90 15.492 4.238 1.296 1.00 0.00 O ATOM 1453 CB VAL B 90 17.571 6.092 2.167 1.00 0.00 C ATOM 1454 CG1 VAL B 90 17.732 6.719 0.793 1.00 0.00 C ATOM 1455 CG2 VAL B 90 18.464 6.788 3.186 1.00 0.00 C ATOM 0 H VAL B 90 16.603 4.849 4.173 1.00 0.00 H new ATOM 0 HA VAL B 90 15.809 7.191 2.668 1.00 0.00 H new ATOM 0 HB VAL B 90 17.877 5.048 2.105 1.00 0.00 H new ATOM 0 HG11 VAL B 90 18.779 6.675 0.493 1.00 0.00 H new ATOM 0 HG12 VAL B 90 17.125 6.173 0.071 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.408 7.759 0.827 1.00 0.00 H new ATOM 0 HG21 VAL B 90 19.501 6.742 2.853 1.00 0.00 H new ATOM 0 HG22 VAL B 90 18.160 7.830 3.284 1.00 0.00 H new ATOM 0 HG23 VAL B 90 18.371 6.291 4.151 1.00 0.00 H new ATOM 1465 N VAL B 91 14.206 6.062 1.119 1.00 0.00 N ATOM 1466 CA VAL B 91 13.231 5.408 0.274 1.00 0.00 C ATOM 1467 C VAL B 91 13.146 6.072 -1.093 1.00 0.00 C ATOM 1468 O VAL B 91 13.083 7.294 -1.210 1.00 0.00 O ATOM 1469 CB VAL B 91 11.840 5.365 0.953 1.00 0.00 C ATOM 1470 CG1 VAL B 91 11.499 6.697 1.590 1.00 0.00 C ATOM 1471 CG2 VAL B 91 10.762 4.963 -0.037 1.00 0.00 C ATOM 0 H VAL B 91 14.024 7.051 1.292 1.00 0.00 H new ATOM 0 HA VAL B 91 13.565 4.381 0.125 1.00 0.00 H new ATOM 0 HB VAL B 91 11.883 4.612 1.740 1.00 0.00 H new ATOM 0 HG11 VAL B 91 10.517 6.635 2.058 1.00 0.00 H new ATOM 0 HG12 VAL B 91 12.246 6.941 2.345 1.00 0.00 H new ATOM 0 HG13 VAL B 91 11.488 7.474 0.825 1.00 0.00 H new ATOM 0 HG21 VAL B 91 9.796 4.941 0.467 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.730 5.685 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL B 91 10.986 3.974 -0.437 1.00 0.00 H new ATOM 1481 N ASN B 92 13.175 5.238 -2.118 1.00 0.00 N ATOM 1482 CA ASN B 92 13.087 5.677 -3.500 1.00 0.00 C ATOM 1483 C ASN B 92 12.229 4.701 -4.279 1.00 0.00 C ATOM 1484 O ASN B 92 11.999 3.584 -3.824 1.00 0.00 O ATOM 1485 CB ASN B 92 14.475 5.769 -4.138 1.00 0.00 C ATOM 1486 CG ASN B 92 15.530 5.010 -3.363 1.00 0.00 C ATOM 1487 OD1 ASN B 92 16.303 5.594 -2.604 1.00 0.00 O ATOM 1488 ND2 ASN B 92 15.536 3.698 -3.512 1.00 0.00 N ATOM 0 H ASN B 92 13.261 4.227 -2.013 1.00 0.00 H new ATOM 0 HA ASN B 92 12.638 6.670 -3.523 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.428 5.380 -5.155 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.768 6.817 -4.210 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.199 3.128 -2.987 1.00 0.00 H new ATOM 0 HD22 ASN B 92 14.877 3.254 -4.152 1.00 0.00 H new ATOM 1495 N ALA B 93 11.788 5.108 -5.461 1.00 0.00 N ATOM 1496 CA ALA B 93 10.897 4.289 -6.283 1.00 0.00 C ATOM 1497 C ALA B 93 11.548 2.968 -6.675 1.00 0.00 C ATOM 1498 O ALA B 93 10.867 2.000 -7.007 1.00 0.00 O ATOM 1499 CB ALA B 93 10.489 5.056 -7.526 1.00 0.00 C ATOM 0 H ALA B 93 12.033 6.006 -5.878 1.00 0.00 H new ATOM 0 HA ALA B 93 10.012 4.060 -5.689 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.826 4.439 -8.133 1.00 0.00 H new ATOM 0 HB2 ALA B 93 9.970 5.970 -7.236 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.377 5.311 -8.104 1.00 0.00 H new ATOM 1505 N ALA B 94 12.867 2.938 -6.623 1.00 0.00 N ATOM 1506 CA ALA B 94 13.623 1.745 -6.980 1.00 0.00 C ATOM 1507 C ALA B 94 13.674 0.761 -5.817 1.00 0.00 C ATOM 1508 O ALA B 94 13.993 -0.414 -5.995 1.00 0.00 O ATOM 1509 CB ALA B 94 15.030 2.129 -7.407 1.00 0.00 C ATOM 0 H ALA B 94 13.442 3.730 -6.336 1.00 0.00 H new ATOM 0 HA ALA B 94 13.118 1.257 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.588 1.231 -7.672 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.980 2.793 -8.270 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.533 2.639 -6.586 1.00 0.00 H new ATOM 1515 N ASP B 95 13.343 1.249 -4.631 1.00 0.00 N ATOM 1516 CA ASP B 95 13.402 0.438 -3.417 1.00 0.00 C ATOM 1517 C ASP B 95 11.990 0.083 -2.969 1.00 0.00 C ATOM 1518 O ASP B 95 11.769 -0.889 -2.248 1.00 0.00 O ATOM 1519 CB ASP B 95 14.136 1.214 -2.320 1.00 0.00 C ATOM 1520 CG ASP B 95 14.625 0.341 -1.182 1.00 0.00 C ATOM 1521 OD1 ASP B 95 15.161 -0.754 -1.452 1.00 0.00 O ATOM 1522 OD2 ASP B 95 14.534 0.774 -0.016 1.00 0.00 O ATOM 0 H ASP B 95 13.029 2.208 -4.480 1.00 0.00 H new ATOM 0 HA ASP B 95 13.946 -0.485 -3.617 1.00 0.00 H new ATOM 0 HB2 ASP B 95 14.988 1.732 -2.761 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.470 1.979 -1.920 1.00 0.00 H new ATOM 1527 N ILE B 96 11.039 0.890 -3.422 1.00 0.00 N ATOM 1528 CA ILE B 96 9.627 0.690 -3.132 1.00 0.00 C ATOM 1529 C ILE B 96 9.053 -0.464 -3.947 1.00 0.00 C ATOM 1530 O ILE B 96 9.056 -0.437 -5.180 1.00 0.00 O ATOM 1531 CB ILE B 96 8.840 1.975 -3.445 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.256 3.090 -2.499 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.339 1.736 -3.355 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.820 4.456 -2.966 1.00 0.00 C ATOM 0 H ILE B 96 11.228 1.706 -4.004 1.00 0.00 H new ATOM 0 HA ILE B 96 9.534 0.446 -2.074 1.00 0.00 H new ATOM 0 HB ILE B 96 9.072 2.274 -4.467 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.834 2.898 -1.513 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.340 3.079 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.809 2.661 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE B 96 7.049 0.968 -4.072 1.00 0.00 H new ATOM 0 HG23 ILE B 96 7.083 1.408 -2.348 1.00 0.00 H new ATOM 0 HD11 ILE B 96 9.147 5.208 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.264 4.667 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.734 4.482 -3.049 1.00 0.00 H new ATOM 1546 N LYS B 97 8.568 -1.477 -3.250 1.00 0.00 N ATOM 1547 CA LYS B 97 7.971 -2.636 -3.892 1.00 0.00 C ATOM 1548 C LYS B 97 6.478 -2.701 -3.573 1.00 0.00 C ATOM 1549 O LYS B 97 6.092 -3.017 -2.446 1.00 0.00 O ATOM 1550 CB LYS B 97 8.674 -3.914 -3.423 1.00 0.00 C ATOM 1551 CG LYS B 97 10.194 -3.819 -3.409 1.00 0.00 C ATOM 1552 CD LYS B 97 10.761 -3.426 -4.768 1.00 0.00 C ATOM 1553 CE LYS B 97 10.457 -4.466 -5.836 1.00 0.00 C ATOM 1554 NZ LYS B 97 10.901 -4.021 -7.182 1.00 0.00 N ATOM 0 H LYS B 97 8.576 -1.520 -2.231 1.00 0.00 H new ATOM 0 HA LYS B 97 8.092 -2.547 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.327 -4.159 -2.419 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.378 -4.738 -4.073 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.503 -3.087 -2.663 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.613 -4.779 -3.107 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.345 -2.465 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.840 -3.295 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS B 97 10.952 -5.403 -5.582 1.00 0.00 H new ATOM 0 HE3 LYS B 97 9.386 -4.666 -5.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 10.677 -4.756 -7.882 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 10.410 -3.140 -7.436 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 11.928 -3.855 -7.172 1.00 0.00 H new ATOM 1568 N ILE B 98 5.642 -2.378 -4.558 1.00 0.00 N ATOM 1569 CA ILE B 98 4.196 -2.372 -4.368 1.00 0.00 C ATOM 1570 C ILE B 98 3.534 -3.516 -5.134 1.00 0.00 C ATOM 1571 O ILE B 98 3.651 -3.617 -6.363 1.00 0.00 O ATOM 1572 CB ILE B 98 3.576 -1.031 -4.819 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.210 0.136 -4.061 1.00 0.00 C ATOM 1574 CG2 ILE B 98 2.070 -1.044 -4.612 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.607 1.480 -4.404 1.00 0.00 C ATOM 0 H ILE B 98 5.944 -2.117 -5.497 1.00 0.00 H new ATOM 0 HA ILE B 98 4.015 -2.505 -3.301 1.00 0.00 H new ATOM 0 HB ILE B 98 3.777 -0.900 -5.882 1.00 0.00 H new ATOM 0 HG12 ILE B 98 4.105 -0.037 -2.990 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.278 0.161 -4.276 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.650 -0.091 -4.935 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.629 -1.852 -5.196 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.849 -1.198 -3.556 1.00 0.00 H new ATOM 0 HD11 ILE B 98 4.106 2.260 -3.829 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.736 1.676 -5.469 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.544 1.474 -4.162 1.00 0.00 H new ATOM 1587 N PHE B 99 2.826 -4.365 -4.404 1.00 0.00 N ATOM 1588 CA PHE B 99 2.183 -5.530 -4.982 1.00 0.00 C ATOM 1589 C PHE B 99 0.734 -5.604 -4.533 1.00 0.00 C ATOM 1590 O PHE B 99 0.442 -5.607 -3.339 1.00 0.00 O ATOM 1591 CB PHE B 99 2.895 -6.817 -4.561 1.00 0.00 C ATOM 1592 CG PHE B 99 4.375 -6.846 -4.827 1.00 0.00 C ATOM 1593 CD1 PHE B 99 5.262 -6.367 -3.882 1.00 0.00 C ATOM 1594 CD2 PHE B 99 4.879 -7.367 -6.009 1.00 0.00 C ATOM 1595 CE1 PHE B 99 6.619 -6.403 -4.109 1.00 0.00 C ATOM 1596 CE2 PHE B 99 6.238 -7.405 -6.242 1.00 0.00 C ATOM 1597 CZ PHE B 99 7.109 -6.922 -5.290 1.00 0.00 C ATOM 0 H PHE B 99 2.683 -4.264 -3.399 1.00 0.00 H new ATOM 0 HA PHE B 99 2.234 -5.433 -6.066 1.00 0.00 H new ATOM 0 HB2 PHE B 99 2.731 -6.972 -3.495 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.432 -7.656 -5.080 1.00 0.00 H new ATOM 0 HD1 PHE B 99 4.886 -5.960 -2.955 1.00 0.00 H new ATOM 0 HD2 PHE B 99 4.199 -7.748 -6.757 1.00 0.00 H new ATOM 0 HE1 PHE B 99 7.301 -6.025 -3.362 1.00 0.00 H new ATOM 0 HE2 PHE B 99 6.618 -7.812 -7.167 1.00 0.00 H new ATOM 0 HZ PHE B 99 8.174 -6.950 -5.468 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.169 -5.659 -5.488 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.585 -5.788 -5.184 1.00 0.00 C ATOM 1609 C HIS B 100 -2.073 -7.194 -5.497 1.00 0.00 C ATOM 1610 O HIS B 100 -2.039 -7.636 -6.643 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.413 -4.765 -5.969 1.00 0.00 C ATOM 1612 CG HIS B 100 -3.888 -4.834 -5.688 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -4.833 -5.115 -6.654 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.577 -4.650 -4.536 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -6.033 -5.099 -6.108 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -5.907 -4.821 -4.825 1.00 0.00 N ATOM 0 H HIS B 100 0.048 -5.617 -6.484 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.714 -5.595 -4.119 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.054 -3.763 -5.733 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.248 -4.920 -7.035 1.00 0.00 H new ATOM 0 HD1 HIS B 100 -4.634 -5.305 -7.636 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.157 -4.413 -3.570 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -6.963 -5.283 -6.625 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.514 -7.891 -4.471 1.00 0.00 N ATOM 1626 CA ILE B 101 -3.149 -9.183 -4.644 1.00 0.00 C ATOM 1627 C ILE B 101 -4.657 -8.998 -4.576 1.00 0.00 C ATOM 1628 O ILE B 101 -5.211 -8.785 -3.501 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.696 -10.182 -3.561 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -1.177 -10.343 -3.581 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.365 -11.533 -3.759 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.665 -11.242 -2.480 1.00 0.00 C ATOM 0 H ILE B 101 -2.444 -7.583 -3.501 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.859 -9.590 -5.612 1.00 0.00 H new ATOM 0 HB ILE B 101 -2.995 -9.785 -2.591 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -0.873 -10.749 -4.546 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -0.712 -9.362 -3.487 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -3.030 -12.222 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.447 -11.416 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -3.098 -11.931 -4.738 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.420 -11.317 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -0.941 -10.825 -1.512 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -1.104 -12.234 -2.586 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.314 -9.057 -5.724 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.744 -8.769 -5.796 1.00 0.00 C ATOM 1646 C ARG B 102 -7.575 -9.953 -5.314 1.00 0.00 C ATOM 1647 O ARG B 102 -8.721 -9.787 -4.908 1.00 0.00 O ATOM 1648 CB ARG B 102 -7.146 -8.355 -7.214 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.751 -9.347 -8.294 1.00 0.00 C ATOM 1650 CD ARG B 102 -6.985 -8.766 -9.677 1.00 0.00 C ATOM 1651 NE ARG B 102 -8.400 -8.497 -9.931 1.00 0.00 N ATOM 1652 CZ ARG B 102 -8.868 -7.358 -10.447 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -8.054 -6.332 -10.677 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -10.162 -7.236 -10.707 1.00 0.00 N ATOM 0 H ARG B 102 -4.885 -9.300 -6.617 1.00 0.00 H new ATOM 0 HA ARG B 102 -6.948 -7.932 -5.128 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -8.226 -8.214 -7.245 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -6.692 -7.390 -7.440 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -5.700 -9.614 -8.181 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -7.328 -10.265 -8.179 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -6.417 -7.842 -9.782 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -6.608 -9.459 -10.429 1.00 0.00 H new ATOM 0 HE ARG B 102 -9.073 -9.227 -9.699 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -7.061 -6.410 -10.459 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -8.423 -5.467 -11.072 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -10.796 -8.011 -10.513 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -10.523 -6.367 -11.101 1.00 0.00 H new ATOM 1668 N LYS B 103 -6.987 -11.143 -5.337 1.00 0.00 N ATOM 1669 CA LYS B 103 -7.659 -12.329 -4.819 1.00 0.00 C ATOM 1670 C LYS B 103 -7.799 -12.244 -3.303 1.00 0.00 C ATOM 1671 O LYS B 103 -8.851 -12.550 -2.746 1.00 0.00 O ATOM 1672 CB LYS B 103 -6.893 -13.591 -5.204 1.00 0.00 C ATOM 1673 CG LYS B 103 -6.956 -13.915 -6.688 1.00 0.00 C ATOM 1674 CD LYS B 103 -6.082 -15.110 -7.033 1.00 0.00 C ATOM 1675 CE LYS B 103 -6.478 -16.344 -6.238 1.00 0.00 C ATOM 1676 NZ LYS B 103 -5.587 -17.497 -6.521 1.00 0.00 N ATOM 0 H LYS B 103 -6.052 -11.312 -5.707 1.00 0.00 H new ATOM 0 HA LYS B 103 -8.654 -12.377 -5.261 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -5.850 -13.476 -4.910 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -7.292 -14.434 -4.640 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -7.987 -14.122 -6.973 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -6.634 -13.048 -7.265 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -6.161 -15.323 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -5.038 -14.868 -6.833 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -6.447 -16.115 -5.173 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -7.507 -16.614 -6.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -5.745 -18.240 -5.811 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -5.796 -17.873 -7.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -4.595 -17.187 -6.483 1.00 0.00 H new ATOM 1690 N GLU B 104 -6.733 -11.820 -2.642 1.00 0.00 N ATOM 1691 CA GLU B 104 -6.745 -11.641 -1.195 1.00 0.00 C ATOM 1692 C GLU B 104 -7.235 -10.242 -0.845 1.00 0.00 C ATOM 1693 O GLU B 104 -7.444 -9.911 0.323 1.00 0.00 O ATOM 1694 CB GLU B 104 -5.343 -11.861 -0.617 1.00 0.00 C ATOM 1695 CG GLU B 104 -4.766 -13.237 -0.905 1.00 0.00 C ATOM 1696 CD GLU B 104 -5.537 -14.350 -0.230 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -6.502 -14.864 -0.831 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -5.177 -14.723 0.905 1.00 0.00 O ATOM 0 H GLU B 104 -5.843 -11.592 -3.086 1.00 0.00 H new ATOM 0 HA GLU B 104 -7.423 -12.376 -0.761 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -4.671 -11.104 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -5.378 -11.711 0.462 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.762 -13.406 -1.982 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -3.728 -13.267 -0.573 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.404 -9.429 -1.891 1.00 0.00 N ATOM 1706 CA ARG B 105 -7.850 -8.042 -1.767 1.00 0.00 C ATOM 1707 C ARG B 105 -6.912 -7.259 -0.857 1.00 0.00 C ATOM 1708 O ARG B 105 -7.337 -6.377 -0.111 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.288 -7.981 -1.242 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.262 -8.803 -2.069 1.00 0.00 C ATOM 1711 CD ARG B 105 -11.675 -8.711 -1.528 1.00 0.00 C ATOM 1712 NE ARG B 105 -12.586 -9.607 -2.237 1.00 0.00 N ATOM 1713 CZ ARG B 105 -13.868 -9.336 -2.468 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -14.381 -8.169 -2.098 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -14.633 -10.225 -3.087 1.00 0.00 N ATOM 0 H ARG B 105 -7.233 -9.718 -2.854 1.00 0.00 H new ATOM 0 HA ARG B 105 -7.829 -7.585 -2.756 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.307 -8.335 -0.211 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.619 -6.943 -1.228 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -10.245 -8.456 -3.102 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -9.943 -9.845 -2.077 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -11.675 -8.958 -0.466 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -12.032 -7.685 -1.616 1.00 0.00 H new ATOM 0 HE ARG B 105 -12.216 -10.495 -2.576 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -13.792 -7.477 -1.635 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -15.364 -7.964 -2.277 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -14.239 -11.117 -3.386 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -15.616 -10.017 -3.264 1.00 0.00 H new ATOM 1729 N THR B 106 -5.629 -7.580 -0.936 1.00 0.00 N ATOM 1730 CA THR B 106 -4.650 -7.000 -0.046 1.00 0.00 C ATOM 1731 C THR B 106 -3.532 -6.333 -0.839 1.00 0.00 C ATOM 1732 O THR B 106 -3.082 -6.855 -1.862 1.00 0.00 O ATOM 1733 CB THR B 106 -4.065 -8.080 0.884 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.129 -8.771 1.554 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.132 -7.467 1.916 1.00 0.00 C ATOM 0 H THR B 106 -5.247 -8.242 -1.612 1.00 0.00 H new ATOM 0 HA THR B 106 -5.146 -6.242 0.561 1.00 0.00 H new ATOM 0 HB THR B 106 -3.494 -8.780 0.274 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.713 -9.194 0.891 1.00 0.00 H new ATOM 0 HG21 THR B 106 -2.734 -8.252 2.559 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.310 -6.962 1.409 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.682 -6.747 2.522 1.00 0.00 H new ATOM 1743 N LEU B 107 -3.108 -5.166 -0.381 1.00 0.00 N ATOM 1744 CA LEU B 107 -2.025 -4.443 -1.019 1.00 0.00 C ATOM 1745 C LEU B 107 -0.795 -4.472 -0.117 1.00 0.00 C ATOM 1746 O LEU B 107 -0.854 -4.063 1.045 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.450 -2.999 -1.301 1.00 0.00 C ATOM 1748 CG LEU B 107 -1.997 -2.426 -2.647 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -2.500 -1.007 -2.815 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -0.485 -2.461 -2.777 1.00 0.00 C ATOM 0 H LEU B 107 -3.502 -4.699 0.436 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.781 -4.920 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.537 -2.943 -1.250 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -2.060 -2.363 -0.506 1.00 0.00 H new ATOM 0 HG LEU B 107 -2.422 -3.049 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU B 107 -2.169 -0.615 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -3.589 -1.000 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -2.104 -0.383 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -0.193 -2.048 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU B 107 -0.037 -1.869 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -0.137 -3.491 -2.703 1.00 0.00 H new ATOM 1762 N TYR B 108 0.305 -4.977 -0.650 1.00 0.00 N ATOM 1763 CA TYR B 108 1.528 -5.135 0.119 1.00 0.00 C ATOM 1764 C TYR B 108 2.555 -4.086 -0.276 1.00 0.00 C ATOM 1765 O TYR B 108 2.835 -3.891 -1.461 1.00 0.00 O ATOM 1766 CB TYR B 108 2.117 -6.529 -0.100 1.00 0.00 C ATOM 1767 CG TYR B 108 1.184 -7.655 0.278 1.00 0.00 C ATOM 1768 CD1 TYR B 108 0.070 -7.943 -0.496 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.418 -8.429 1.406 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.785 -8.965 -0.159 1.00 0.00 C ATOM 1771 CE2 TYR B 108 0.565 -9.460 1.749 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.536 -9.724 0.964 1.00 0.00 C ATOM 1773 OH TYR B 108 -1.389 -10.752 1.294 1.00 0.00 O ATOM 0 H TYR B 108 0.376 -5.287 -1.619 1.00 0.00 H new ATOM 0 HA TYR B 108 1.280 -5.007 1.173 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.392 -6.635 -1.149 1.00 0.00 H new ATOM 0 HB3 TYR B 108 3.035 -6.620 0.481 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.129 -7.354 -1.379 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.279 -8.222 2.024 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.649 -9.173 -0.772 1.00 0.00 H new ATOM 0 HE2 TYR B 108 0.760 -10.056 2.628 1.00 0.00 H new ATOM 0 HH TYR B 108 -1.788 -11.121 0.478 1.00 0.00 H new ATOM 1783 N ILE B 109 3.102 -3.410 0.721 1.00 0.00 N ATOM 1784 CA ILE B 109 4.142 -2.420 0.496 1.00 0.00 C ATOM 1785 C ILE B 109 5.427 -2.853 1.189 1.00 0.00 C ATOM 1786 O ILE B 109 5.449 -3.037 2.409 1.00 0.00 O ATOM 1787 CB ILE B 109 3.733 -1.033 1.039 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.355 -0.620 0.509 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.778 0.017 0.681 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.286 -0.494 -0.995 1.00 0.00 C ATOM 0 H ILE B 109 2.841 -3.530 1.700 1.00 0.00 H new ATOM 0 HA ILE B 109 4.295 -2.344 -0.581 1.00 0.00 H new ATOM 0 HB ILE B 109 3.673 -1.103 2.125 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.617 -1.353 0.836 1.00 0.00 H new ATOM 0 HG13 ILE B 109 2.076 0.334 0.956 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.469 0.986 1.073 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.738 -0.262 1.116 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.875 0.079 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.279 -0.199 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE B 109 2.998 0.260 -1.330 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.531 -1.453 -1.452 1.00 0.00 H new ATOM 1802 N TYR B 110 6.484 -3.037 0.417 1.00 0.00 N ATOM 1803 CA TYR B 110 7.780 -3.384 0.974 1.00 0.00 C ATOM 1804 C TYR B 110 8.808 -2.346 0.556 1.00 0.00 C ATOM 1805 O TYR B 110 8.998 -2.098 -0.632 1.00 0.00 O ATOM 1806 CB TYR B 110 8.233 -4.766 0.499 1.00 0.00 C ATOM 1807 CG TYR B 110 7.295 -5.897 0.857 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.233 -6.235 0.028 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.482 -6.641 2.015 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.387 -7.278 0.343 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.642 -7.690 2.333 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.596 -8.004 1.495 1.00 0.00 C ATOM 1813 OH TYR B 110 4.760 -9.050 1.807 1.00 0.00 O ATOM 0 H TYR B 110 6.470 -2.952 -0.599 1.00 0.00 H new ATOM 0 HA TYR B 110 7.690 -3.405 2.060 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.354 -4.741 -0.584 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.214 -4.978 0.924 1.00 0.00 H new ATOM 0 HD1 TYR B 110 6.067 -5.672 -0.878 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.298 -6.395 2.678 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.564 -7.525 -0.311 1.00 0.00 H new ATOM 0 HE2 TYR B 110 6.805 -8.261 3.235 1.00 0.00 H new ATOM 0 HH TYR B 110 4.805 -9.229 2.770 1.00 0.00 H new ATOM 1823 N ILE B 111 9.447 -1.731 1.529 1.00 0.00 N ATOM 1824 CA ILE B 111 10.461 -0.729 1.257 1.00 0.00 C ATOM 1825 C ILE B 111 11.722 -1.042 2.045 1.00 0.00 C ATOM 1826 O ILE B 111 12.637 -1.669 1.476 1.00 0.00 O ATOM 1827 CB ILE B 111 9.963 0.692 1.605 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.692 1.011 0.810 1.00 0.00 C ATOM 1829 CG2 ILE B 111 11.051 1.722 1.317 1.00 0.00 C ATOM 1830 CD1 ILE B 111 8.086 2.358 1.132 1.00 0.00 C ATOM 1831 OXT ILE B 111 11.780 -0.704 3.243 1.00 0.00 O ATOM 0 H ILE B 111 9.283 -1.907 2.520 1.00 0.00 H new ATOM 0 HA ILE B 111 10.680 -0.755 0.190 1.00 0.00 H new ATOM 0 HB ILE B 111 9.728 0.733 2.669 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.923 0.973 -0.255 1.00 0.00 H new ATOM 0 HG13 ILE B 111 7.951 0.235 1.003 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.685 2.718 1.567 1.00 0.00 H new ATOM 0 HG22 ILE B 111 11.932 1.498 1.918 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.314 1.687 0.260 1.00 0.00 H new ATOM 0 HD11 ILE B 111 7.191 2.508 0.528 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.821 2.395 2.189 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.808 3.144 0.911 1.00 0.00 H new