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: B 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 54 ASN : amide:sc= -2.25! K(o=-2.3!,f=-0.12) USER MOD Single : A 5 SER OG : rot 17:sc= 0.49 USER MOD Single : A 7 GLN : amide:sc= -0.982! C(o=-0.98!,f=-1.7!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.268 USER MOD Single : B 37 LYS NZ :NH3+ 153:sc= 1.21 (180deg=0.765) USER MOD Single : B 38 MET CE :methyl -176:sc= -0.844 (180deg=-0.848) USER MOD Single : B 39 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.128) USER MOD Single : B 42 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0213) USER MOD Single : B 46 TYR OH : rot -137:sc= 0.143 USER MOD Single : B 47 LYS NZ :NH3+ -173:sc= 2.27 (180deg=1.97) USER MOD Single : B 55 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.12) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot 180:sc= -0.408 USER MOD Single : B 68 TYR OH : rot 139:sc= 0.00357 USER MOD Single : B 69 ASN : amide:sc= -0.974 K(o=-0.97,f=-0.31) USER MOD Single : B 73 ASN : amide:sc= -2.58 K(o=-2.6,f=-5) USER MOD Single : B 76 TYR OH : rot 81:sc= 0.394 USER MOD Single : B 78 ASN : amide:sc= -0.36 K(o=-0.36,f=-6.9!) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= -0.317 USER MOD Single : B 92 ASN : amide:sc= -3.02! C(o=-3!,f=-1.6!) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 100 HIS : no HE2:sc= 1.15 K(o=1.1,f=-3.7!) USER MOD Single : B 103 LYS NZ :NH3+ 162:sc= 0.905 (180deg=0.428) USER MOD Single : B 106 THR OG1 : rot 56:sc= 0.406 USER MOD Single : B 108 TYR OH : rot 0:sc= -0.064 USER MOD Single : B 110 TYR OH : rot -156:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 59 N SER A 5 8.362 14.101 -7.189 1.00 0.00 N ATOM 60 CA SER A 5 7.493 12.991 -6.849 1.00 0.00 C ATOM 61 C SER A 5 7.422 12.021 -8.021 1.00 0.00 C ATOM 62 O SER A 5 7.461 12.437 -9.179 1.00 0.00 O ATOM 63 CB SER A 5 6.101 13.511 -6.484 1.00 0.00 C ATOM 64 OG SER A 5 6.194 14.747 -5.789 1.00 0.00 O ATOM 0 HA SER A 5 7.896 12.462 -5.985 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.507 13.640 -7.389 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.584 12.778 -5.865 1.00 0.00 H new ATOM 0 HG SER A 5 7.083 15.136 -5.930 1.00 0.00 H new ATOM 70 N VAL A 6 7.342 10.735 -7.722 1.00 0.00 N ATOM 71 CA VAL A 6 7.332 9.707 -8.755 1.00 0.00 C ATOM 72 C VAL A 6 6.193 8.724 -8.531 1.00 0.00 C ATOM 73 O VAL A 6 5.828 8.427 -7.394 1.00 0.00 O ATOM 74 CB VAL A 6 8.669 8.936 -8.796 1.00 0.00 C ATOM 75 CG1 VAL A 6 9.797 9.839 -9.269 1.00 0.00 C ATOM 76 CG2 VAL A 6 8.995 8.350 -7.430 1.00 0.00 C ATOM 0 H VAL A 6 7.283 10.375 -6.769 1.00 0.00 H new ATOM 0 HA VAL A 6 7.189 10.214 -9.710 1.00 0.00 H new ATOM 0 HB VAL A 6 8.565 8.116 -9.506 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.730 9.275 -9.290 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.573 10.207 -10.270 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.898 10.683 -8.586 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.941 7.811 -7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.075 9.154 -6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.203 7.664 -7.130 1.00 0.00 H new ATOM 86 N GLN A 7 5.629 8.226 -9.617 1.00 0.00 N ATOM 87 CA GLN A 7 4.532 7.274 -9.534 1.00 0.00 C ATOM 88 C GLN A 7 5.082 5.853 -9.463 1.00 0.00 C ATOM 89 O GLN A 7 6.021 5.503 -10.179 1.00 0.00 O ATOM 90 CB GLN A 7 3.570 7.429 -10.725 1.00 0.00 C ATOM 91 CG GLN A 7 4.099 6.913 -12.061 1.00 0.00 C ATOM 92 CD GLN A 7 5.313 7.668 -12.575 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.188 8.679 -13.265 1.00 0.00 O ATOM 94 NE2 GLN A 7 6.498 7.177 -12.249 1.00 0.00 N ATOM 0 H GLN A 7 5.912 8.464 -10.568 1.00 0.00 H new ATOM 0 HA GLN A 7 3.965 7.478 -8.626 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.643 6.905 -10.493 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.321 8.484 -10.835 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.356 5.859 -11.956 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.304 6.975 -12.804 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.561 6.336 -11.675 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.348 7.639 -12.572 1.00 0.00 H new ATOM 103 N ILE A 8 4.523 5.043 -8.583 1.00 0.00 N ATOM 104 CA ILE A 8 5.006 3.680 -8.419 1.00 0.00 C ATOM 105 C ILE A 8 4.033 2.693 -9.057 1.00 0.00 C ATOM 106 O ILE A 8 2.854 2.659 -8.702 1.00 0.00 O ATOM 107 CB ILE A 8 5.195 3.306 -6.934 1.00 0.00 C ATOM 108 CG1 ILE A 8 5.744 4.490 -6.127 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.130 2.110 -6.814 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.082 5.000 -6.611 1.00 0.00 C ATOM 0 H ILE A 8 3.744 5.298 -7.977 1.00 0.00 H new ATOM 0 HA ILE A 8 5.976 3.626 -8.913 1.00 0.00 H new ATOM 0 HB ILE A 8 4.220 3.044 -6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.022 5.306 -6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.837 4.192 -5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.258 1.852 -5.763 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.704 1.260 -7.347 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.099 2.360 -7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.400 5.836 -5.988 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.820 4.200 -6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.992 5.332 -7.645 1.00 0.00 H new ATOM 122 N PRO A 9 4.502 1.898 -10.029 1.00 0.00 N ATOM 123 CA PRO A 9 3.671 0.891 -10.688 1.00 0.00 C ATOM 124 C PRO A 9 3.394 -0.310 -9.787 1.00 0.00 C ATOM 125 O PRO A 9 4.309 -0.877 -9.186 1.00 0.00 O ATOM 126 CB PRO A 9 4.503 0.474 -11.899 1.00 0.00 C ATOM 127 CG PRO A 9 5.914 0.753 -11.513 1.00 0.00 C ATOM 128 CD PRO A 9 5.873 1.928 -10.571 1.00 0.00 C ATOM 0 HA PRO A 9 2.688 1.283 -10.950 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.359 -0.581 -12.132 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.218 1.038 -12.787 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.364 -0.115 -11.031 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.519 0.980 -12.391 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.618 1.833 -9.781 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.077 2.864 -11.090 1.00 0.00 H new ATOM 136 N VAL A 10 2.128 -0.684 -9.694 1.00 0.00 N ATOM 137 CA VAL A 10 1.722 -1.815 -8.877 1.00 0.00 C ATOM 138 C VAL A 10 1.819 -3.108 -9.669 1.00 0.00 C ATOM 139 O VAL A 10 1.375 -3.176 -10.816 1.00 0.00 O ATOM 140 CB VAL A 10 0.272 -1.662 -8.373 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.106 -2.812 -7.453 1.00 0.00 C ATOM 142 CG2 VAL A 10 0.077 -0.333 -7.672 1.00 0.00 C ATOM 0 H VAL A 10 1.360 -0.218 -10.177 1.00 0.00 H new ATOM 0 HA VAL A 10 2.397 -1.845 -8.021 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.387 -1.687 -9.241 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.133 -2.682 -7.111 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.021 -3.754 -7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.564 -2.826 -6.593 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.954 -0.251 -7.327 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.752 -0.270 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.293 0.479 -8.366 1.00 0.00 H new ATOM 152 N VAL A 11 2.407 -4.124 -9.067 1.00 0.00 N ATOM 153 CA VAL A 11 2.425 -5.443 -9.666 1.00 0.00 C ATOM 154 C VAL A 11 1.314 -6.283 -9.057 1.00 0.00 C ATOM 155 O VAL A 11 1.274 -6.482 -7.843 1.00 0.00 O ATOM 156 CB VAL A 11 3.780 -6.149 -9.455 1.00 0.00 C ATOM 157 CG1 VAL A 11 3.756 -7.542 -10.062 1.00 0.00 C ATOM 158 CG2 VAL A 11 4.913 -5.322 -10.044 1.00 0.00 C ATOM 0 H VAL A 11 2.878 -4.061 -8.164 1.00 0.00 H new ATOM 0 HA VAL A 11 2.272 -5.330 -10.739 1.00 0.00 H new ATOM 0 HB VAL A 11 3.954 -6.247 -8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.720 -8.025 -9.903 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.972 -8.132 -9.587 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.558 -7.470 -11.131 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.860 -5.837 -9.885 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.748 -5.188 -11.113 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.944 -4.347 -9.557 1.00 0.00 H new ATOM 168 N GLU A 12 0.393 -6.746 -9.883 1.00 0.00 N ATOM 169 CA GLU A 12 -0.700 -7.561 -9.390 1.00 0.00 C ATOM 170 C GLU A 12 -0.358 -9.033 -9.491 1.00 0.00 C ATOM 171 O GLU A 12 -0.235 -9.593 -10.581 1.00 0.00 O ATOM 172 CB GLU A 12 -2.004 -7.254 -10.117 1.00 0.00 C ATOM 173 CG GLU A 12 -2.549 -5.877 -9.789 1.00 0.00 C ATOM 174 CD GLU A 12 -4.013 -5.734 -10.136 1.00 0.00 C ATOM 175 OE1 GLU A 12 -4.859 -6.075 -9.283 1.00 0.00 O ATOM 176 OE2 GLU A 12 -4.325 -5.288 -11.256 1.00 0.00 O ATOM 0 H GLU A 12 0.380 -6.573 -10.888 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.848 -7.313 -8.339 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.842 -7.329 -11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.747 -8.006 -9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.410 -5.679 -8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.976 -5.125 -10.331 1.00 0.00 H new ATOM 183 N VAL A 13 -0.197 -9.639 -8.334 1.00 0.00 N ATOM 184 CA VAL A 13 0.185 -11.037 -8.227 1.00 0.00 C ATOM 185 C VAL A 13 -0.754 -11.776 -7.287 1.00 0.00 C ATOM 186 O VAL A 13 -1.573 -11.160 -6.603 1.00 0.00 O ATOM 187 CB VAL A 13 1.632 -11.178 -7.710 1.00 0.00 C ATOM 188 CG1 VAL A 13 2.626 -10.840 -8.805 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.857 -10.288 -6.495 1.00 0.00 C ATOM 0 H VAL A 13 -0.327 -9.176 -7.435 1.00 0.00 H new ATOM 0 HA VAL A 13 0.120 -11.473 -9.224 1.00 0.00 H new ATOM 0 HB VAL A 13 1.787 -12.215 -7.411 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.641 -10.945 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.485 -11.518 -9.647 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.468 -9.813 -9.136 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.883 -10.402 -6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.680 -9.248 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.169 -10.576 -5.700 1.00 0.00 H new ATOM 199 N ASP A 14 -0.632 -13.095 -7.257 1.00 0.00 N ATOM 200 CA ASP A 14 -1.444 -13.922 -6.375 1.00 0.00 C ATOM 201 C ASP A 14 -0.713 -14.125 -5.063 1.00 0.00 C ATOM 202 O ASP A 14 -1.313 -14.457 -4.041 1.00 0.00 O ATOM 203 CB ASP A 14 -1.748 -15.278 -7.020 1.00 0.00 C ATOM 204 CG ASP A 14 -2.722 -15.177 -8.178 1.00 0.00 C ATOM 205 OD1 ASP A 14 -2.318 -14.718 -9.265 1.00 0.00 O ATOM 206 OD2 ASP A 14 -3.901 -15.557 -8.005 1.00 0.00 O ATOM 0 H ASP A 14 0.025 -13.618 -7.836 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.391 -13.414 -6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.818 -15.723 -7.372 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.157 -15.950 -6.265 1.00 0.00 H new ATOM 211 N GLU A 15 0.595 -13.915 -5.116 1.00 0.00 N ATOM 212 CA GLU A 15 1.459 -14.025 -3.956 1.00 0.00 C ATOM 213 C GLU A 15 2.826 -13.457 -4.298 1.00 0.00 C ATOM 214 O GLU A 15 3.202 -13.396 -5.469 1.00 0.00 O ATOM 215 CB GLU A 15 1.587 -15.484 -3.518 1.00 0.00 C ATOM 216 CG GLU A 15 2.218 -16.386 -4.561 1.00 0.00 C ATOM 217 CD GLU A 15 2.415 -17.799 -4.058 1.00 0.00 C ATOM 218 OE1 GLU A 15 1.418 -18.439 -3.657 1.00 0.00 O ATOM 219 OE2 GLU A 15 3.567 -18.278 -4.061 1.00 0.00 O ATOM 0 H GLU A 15 1.087 -13.662 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 15 1.025 -13.461 -3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.182 -15.528 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.597 -15.867 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.588 -16.404 -5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.181 -15.972 -4.861 1.00 0.00 H new ATOM 226 N LEU A 16 3.561 -13.025 -3.287 1.00 0.00 N ATOM 227 CA LEU A 16 4.881 -12.462 -3.506 1.00 0.00 C ATOM 228 C LEU A 16 5.895 -13.573 -3.727 1.00 0.00 C ATOM 229 O LEU A 16 5.746 -14.674 -3.188 1.00 0.00 O ATOM 230 CB LEU A 16 5.322 -11.602 -2.313 1.00 0.00 C ATOM 231 CG LEU A 16 4.382 -10.465 -1.909 1.00 0.00 C ATOM 232 CD1 LEU A 16 3.585 -9.959 -3.096 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.463 -10.904 -0.788 1.00 0.00 C ATOM 0 H LEU A 16 3.267 -13.053 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 16 4.830 -11.829 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.457 -12.256 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.297 -11.173 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 16 4.994 -9.639 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.927 -9.152 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.267 -9.589 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.987 -10.773 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.803 -10.081 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.866 -11.754 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.058 -11.194 0.078 1.00 0.00 H new ATOM 245 N PRO A 17 6.939 -13.302 -4.525 1.00 0.00 N ATOM 246 CA PRO A 17 8.001 -14.271 -4.777 1.00 0.00 C ATOM 247 C PRO A 17 8.825 -14.535 -3.520 1.00 0.00 C ATOM 248 O PRO A 17 8.654 -13.861 -2.499 1.00 0.00 O ATOM 249 CB PRO A 17 8.852 -13.612 -5.866 1.00 0.00 C ATOM 250 CG PRO A 17 8.565 -12.155 -5.766 1.00 0.00 C ATOM 251 CD PRO A 17 7.164 -12.029 -5.234 1.00 0.00 C ATOM 0 HA PRO A 17 7.612 -15.244 -5.078 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.912 -13.815 -5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.593 -13.996 -6.853 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.277 -11.664 -5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.654 -11.675 -6.740 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.066 -11.175 -4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.442 -11.887 -6.038 1.00 0.00 H new ATOM 259 N GLU A 18 9.712 -15.514 -3.594 1.00 0.00 N ATOM 260 CA GLU A 18 10.492 -15.927 -2.436 1.00 0.00 C ATOM 261 C GLU A 18 11.407 -14.807 -1.952 1.00 0.00 C ATOM 262 O GLU A 18 12.062 -14.130 -2.747 1.00 0.00 O ATOM 263 CB GLU A 18 11.292 -17.181 -2.772 1.00 0.00 C ATOM 264 CG GLU A 18 10.402 -18.358 -3.133 1.00 0.00 C ATOM 265 CD GLU A 18 11.181 -19.565 -3.599 1.00 0.00 C ATOM 266 OE1 GLU A 18 11.500 -19.642 -4.804 1.00 0.00 O ATOM 267 OE2 GLU A 18 11.467 -20.450 -2.765 1.00 0.00 O ATOM 0 H GLU A 18 9.911 -16.039 -4.445 1.00 0.00 H new ATOM 0 HA GLU A 18 9.805 -16.155 -1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.963 -16.968 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.916 -17.449 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.802 -18.632 -2.265 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.708 -18.055 -3.917 1.00 0.00 H new ATOM 274 N GLY A 19 11.440 -14.620 -0.641 1.00 0.00 N ATOM 275 CA GLY A 19 12.191 -13.526 -0.058 1.00 0.00 C ATOM 276 C GLY A 19 11.280 -12.477 0.545 1.00 0.00 C ATOM 277 O GLY A 19 11.712 -11.654 1.352 1.00 0.00 O ATOM 0 H GLY A 19 10.956 -15.211 0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.859 -13.913 0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.818 -13.067 -0.823 1.00 0.00 H new ATOM 281 N TYR A 20 10.012 -12.511 0.157 1.00 0.00 N ATOM 282 CA TYR A 20 9.024 -11.587 0.692 1.00 0.00 C ATOM 283 C TYR A 20 8.289 -12.197 1.874 1.00 0.00 C ATOM 284 O TYR A 20 8.059 -13.405 1.921 1.00 0.00 O ATOM 285 CB TYR A 20 8.016 -11.186 -0.378 1.00 0.00 C ATOM 286 CG TYR A 20 8.528 -10.153 -1.353 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.506 -8.806 -1.028 1.00 0.00 C ATOM 288 CD2 TYR A 20 9.022 -10.520 -2.595 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.961 -7.850 -1.912 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.482 -9.571 -3.487 1.00 0.00 C ATOM 291 CZ TYR A 20 9.449 -8.237 -3.140 1.00 0.00 C ATOM 292 OH TYR A 20 9.910 -7.289 -4.021 1.00 0.00 O ATOM 0 H TYR A 20 9.644 -13.171 -0.528 1.00 0.00 H new ATOM 0 HA TYR A 20 9.559 -10.699 1.028 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.717 -12.076 -0.932 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.121 -10.798 0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.126 -8.499 -0.065 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.048 -11.564 -2.870 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.935 -6.804 -1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.865 -9.872 -4.451 1.00 0.00 H new ATOM 0 HH TYR A 20 10.220 -7.728 -4.841 1.00 0.00 H new ATOM 302 N ASP A 21 7.921 -11.352 2.821 1.00 0.00 N ATOM 303 CA ASP A 21 7.208 -11.793 4.008 1.00 0.00 C ATOM 304 C ASP A 21 5.725 -11.484 3.872 1.00 0.00 C ATOM 305 O ASP A 21 5.278 -10.366 4.152 1.00 0.00 O ATOM 306 CB ASP A 21 7.778 -11.116 5.256 1.00 0.00 C ATOM 307 CG ASP A 21 7.173 -11.658 6.534 1.00 0.00 C ATOM 308 OD1 ASP A 21 7.542 -12.781 6.940 1.00 0.00 O ATOM 309 OD2 ASP A 21 6.347 -10.957 7.152 1.00 0.00 O ATOM 0 H ASP A 21 8.106 -10.349 2.791 1.00 0.00 H new ATOM 0 HA ASP A 21 7.335 -12.871 4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.859 -11.256 5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.597 -10.043 5.198 1.00 0.00 H new ATOM 314 N ARG A 22 4.969 -12.470 3.419 1.00 0.00 N ATOM 315 CA ARG A 22 3.543 -12.301 3.207 1.00 0.00 C ATOM 316 C ARG A 22 2.762 -12.680 4.455 1.00 0.00 C ATOM 317 O ARG A 22 3.163 -13.563 5.211 1.00 0.00 O ATOM 318 CB ARG A 22 3.077 -13.134 2.008 1.00 0.00 C ATOM 319 CG ARG A 22 1.567 -13.157 1.831 1.00 0.00 C ATOM 320 CD ARG A 22 1.165 -13.506 0.411 1.00 0.00 C ATOM 321 NE ARG A 22 -0.281 -13.659 0.282 1.00 0.00 N ATOM 322 CZ ARG A 22 -0.879 -14.677 -0.343 1.00 0.00 C ATOM 323 NH1 ARG A 22 -0.160 -15.669 -0.853 1.00 0.00 N ATOM 324 NH2 ARG A 22 -2.201 -14.708 -0.437 1.00 0.00 N ATOM 0 H ARG A 22 5.322 -13.399 3.190 1.00 0.00 H new ATOM 0 HA ARG A 22 3.353 -11.249 2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.534 -12.738 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.436 -14.156 2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.133 -13.882 2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.157 -12.182 2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.510 -12.726 -0.267 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.657 -14.431 0.110 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.874 -12.941 0.697 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.856 -15.658 -0.769 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.624 -16.443 -1.329 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.759 -13.956 -0.033 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.660 -15.484 -0.914 1.00 0.00 H new ATOM 491 N GLU B 33 -13.122 0.518 3.159 1.00 0.00 N ATOM 492 CA GLU B 33 -12.462 0.470 4.445 1.00 0.00 C ATOM 493 C GLU B 33 -11.170 -0.306 4.314 1.00 0.00 C ATOM 494 O GLU B 33 -11.167 -1.534 4.203 1.00 0.00 O ATOM 495 CB GLU B 33 -13.362 -0.165 5.506 1.00 0.00 C ATOM 496 CG GLU B 33 -12.696 -0.290 6.868 1.00 0.00 C ATOM 497 CD GLU B 33 -13.676 -0.637 7.964 1.00 0.00 C ATOM 498 OE1 GLU B 33 -14.312 0.291 8.503 1.00 0.00 O ATOM 499 OE2 GLU B 33 -13.814 -1.832 8.297 1.00 0.00 O ATOM 0 HA GLU B 33 -12.245 1.489 4.766 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.269 0.431 5.607 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.668 -1.155 5.167 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -11.923 -1.057 6.821 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.200 0.649 7.113 1.00 0.00 H new ATOM 506 N TYR B 34 -10.082 0.423 4.270 1.00 0.00 N ATOM 507 CA TYR B 34 -8.770 -0.177 4.180 1.00 0.00 C ATOM 508 C TYR B 34 -8.198 -0.424 5.562 1.00 0.00 C ATOM 509 O TYR B 34 -8.379 0.381 6.477 1.00 0.00 O ATOM 510 CB TYR B 34 -7.821 0.718 3.392 1.00 0.00 C ATOM 511 CG TYR B 34 -8.193 0.877 1.939 1.00 0.00 C ATOM 512 CD1 TYR B 34 -7.900 -0.119 1.019 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.831 2.022 1.487 1.00 0.00 C ATOM 514 CE1 TYR B 34 -8.232 0.021 -0.313 1.00 0.00 C ATOM 515 CE2 TYR B 34 -9.167 2.171 0.156 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.866 1.169 -0.740 1.00 0.00 C ATOM 517 OH TYR B 34 -9.201 1.315 -2.067 1.00 0.00 O ATOM 0 H TYR B 34 -10.078 1.443 4.295 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.875 -1.130 3.661 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.794 1.702 3.859 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.813 0.307 3.456 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.404 -1.019 1.351 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -9.069 2.810 2.187 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -7.997 -0.764 -1.017 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.663 3.069 -0.181 1.00 0.00 H new ATOM 0 HH TYR B 34 -9.642 2.180 -2.200 1.00 0.00 H new ATOM 527 N GLU B 35 -7.513 -1.536 5.705 1.00 0.00 N ATOM 528 CA GLU B 35 -6.853 -1.862 6.949 1.00 0.00 C ATOM 529 C GLU B 35 -5.351 -1.819 6.734 1.00 0.00 C ATOM 530 O GLU B 35 -4.789 -2.682 6.060 1.00 0.00 O ATOM 531 CB GLU B 35 -7.288 -3.240 7.448 1.00 0.00 C ATOM 532 CG GLU B 35 -6.791 -3.564 8.847 1.00 0.00 C ATOM 533 CD GLU B 35 -7.140 -4.973 9.280 1.00 0.00 C ATOM 534 OE1 GLU B 35 -8.235 -5.172 9.855 1.00 0.00 O ATOM 535 OE2 GLU B 35 -6.320 -5.886 9.056 1.00 0.00 O ATOM 0 H GLU B 35 -7.398 -2.234 4.970 1.00 0.00 H new ATOM 0 HA GLU B 35 -7.133 -1.133 7.710 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.377 -3.295 7.436 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -6.923 -4.000 6.757 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -5.709 -3.435 8.883 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.220 -2.854 9.554 1.00 0.00 H new ATOM 542 N VAL B 36 -4.721 -0.789 7.272 1.00 0.00 N ATOM 543 CA VAL B 36 -3.289 -0.597 7.119 1.00 0.00 C ATOM 544 C VAL B 36 -2.522 -1.177 8.307 1.00 0.00 C ATOM 545 O VAL B 36 -2.824 -0.886 9.467 1.00 0.00 O ATOM 546 CB VAL B 36 -2.940 0.900 6.930 1.00 0.00 C ATOM 547 CG1 VAL B 36 -3.609 1.759 7.992 1.00 0.00 C ATOM 548 CG2 VAL B 36 -1.434 1.113 6.937 1.00 0.00 C ATOM 0 H VAL B 36 -5.184 -0.067 7.824 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.984 -1.134 6.221 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.323 1.209 5.957 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -3.345 2.805 7.833 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.691 1.643 7.925 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -3.271 1.445 8.980 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -1.216 2.172 6.803 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -1.023 0.776 7.889 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -0.982 0.544 6.125 1.00 0.00 H new ATOM 558 N LYS B 37 -1.545 -2.022 8.004 1.00 0.00 N ATOM 559 CA LYS B 37 -0.699 -2.634 9.021 1.00 0.00 C ATOM 560 C LYS B 37 0.760 -2.328 8.706 1.00 0.00 C ATOM 561 O LYS B 37 1.245 -2.664 7.626 1.00 0.00 O ATOM 562 CB LYS B 37 -0.909 -4.161 9.085 1.00 0.00 C ATOM 563 CG LYS B 37 -2.358 -4.592 9.289 1.00 0.00 C ATOM 564 CD LYS B 37 -3.142 -4.589 7.982 1.00 0.00 C ATOM 565 CE LYS B 37 -3.211 -5.969 7.346 1.00 0.00 C ATOM 566 NZ LYS B 37 -3.995 -6.928 8.169 1.00 0.00 N ATOM 0 H LYS B 37 -1.317 -2.302 7.050 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.970 -2.219 9.992 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.538 -4.605 8.161 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -0.305 -4.564 9.898 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.382 -5.591 9.724 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.839 -3.922 10.002 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -4.153 -4.227 8.168 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.677 -3.893 7.284 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -3.661 -5.889 6.357 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -2.201 -6.354 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -4.404 -7.660 7.554 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.371 -7.375 8.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.759 -6.421 8.659 1.00 0.00 H new ATOM 580 N MET B 38 1.452 -1.685 9.631 1.00 0.00 N ATOM 581 CA MET B 38 2.826 -1.264 9.395 1.00 0.00 C ATOM 582 C MET B 38 3.795 -2.124 10.194 1.00 0.00 C ATOM 583 O MET B 38 3.532 -2.444 11.351 1.00 0.00 O ATOM 584 CB MET B 38 2.991 0.198 9.774 1.00 0.00 C ATOM 585 CG MET B 38 3.951 0.924 8.864 1.00 0.00 C ATOM 586 SD MET B 38 3.787 2.710 8.955 1.00 0.00 S ATOM 587 CE MET B 38 4.458 3.138 7.357 1.00 0.00 C ATOM 0 H MET B 38 1.087 -1.442 10.552 1.00 0.00 H new ATOM 0 HA MET B 38 3.050 -1.386 8.335 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.019 0.691 9.740 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.347 0.266 10.802 1.00 0.00 H new ATOM 0 HG2 MET B 38 4.972 0.644 9.124 1.00 0.00 H new ATOM 0 HG3 MET B 38 3.784 0.601 7.836 1.00 0.00 H new ATOM 0 HE1 MET B 38 4.504 4.223 7.260 1.00 0.00 H new ATOM 0 HE2 MET B 38 5.461 2.723 7.260 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.820 2.730 6.573 1.00 0.00 H new ATOM 597 N LYS B 39 4.914 -2.493 9.587 1.00 0.00 N ATOM 598 CA LYS B 39 5.848 -3.408 10.229 1.00 0.00 C ATOM 599 C LYS B 39 7.288 -3.039 9.875 1.00 0.00 C ATOM 600 O LYS B 39 7.601 -2.758 8.720 1.00 0.00 O ATOM 601 CB LYS B 39 5.528 -4.852 9.803 1.00 0.00 C ATOM 602 CG LYS B 39 5.956 -5.923 10.801 1.00 0.00 C ATOM 603 CD LYS B 39 7.456 -6.162 10.783 1.00 0.00 C ATOM 604 CE LYS B 39 7.876 -7.202 11.809 1.00 0.00 C ATOM 605 NZ LYS B 39 7.634 -6.745 13.204 1.00 0.00 N ATOM 0 H LYS B 39 5.196 -2.177 8.659 1.00 0.00 H new ATOM 0 HA LYS B 39 5.742 -3.330 11.311 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.454 -4.938 9.638 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.014 -5.050 8.848 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.650 -5.625 11.804 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.439 -6.855 10.574 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.760 -6.490 9.789 1.00 0.00 H new ATOM 0 HD3 LYS B 39 7.976 -5.225 10.982 1.00 0.00 H new ATOM 0 HE2 LYS B 39 7.328 -8.127 11.631 1.00 0.00 H new ATOM 0 HE3 LYS B 39 8.934 -7.429 11.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 8.100 -7.395 13.868 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 8.021 -5.788 13.328 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 6.611 -6.732 13.393 1.00 0.00 H new ATOM 619 N ARG B 40 8.153 -3.029 10.880 1.00 0.00 N ATOM 620 CA ARG B 40 9.556 -2.671 10.697 1.00 0.00 C ATOM 621 C ARG B 40 10.416 -3.918 10.487 1.00 0.00 C ATOM 622 O ARG B 40 10.270 -4.907 11.205 1.00 0.00 O ATOM 623 CB ARG B 40 10.066 -1.887 11.916 1.00 0.00 C ATOM 624 CG ARG B 40 9.772 -0.388 11.888 1.00 0.00 C ATOM 625 CD ARG B 40 8.287 -0.076 11.749 1.00 0.00 C ATOM 626 NE ARG B 40 7.488 -0.616 12.849 1.00 0.00 N ATOM 627 CZ ARG B 40 6.199 -0.325 13.042 1.00 0.00 C ATOM 628 NH1 ARG B 40 5.582 0.549 12.251 1.00 0.00 N ATOM 629 NH2 ARG B 40 5.533 -0.892 14.042 1.00 0.00 N ATOM 0 H ARG B 40 7.906 -3.267 11.840 1.00 0.00 H new ATOM 0 HA ARG B 40 9.632 -2.045 9.808 1.00 0.00 H new ATOM 0 HB2 ARG B 40 9.621 -2.313 12.815 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.144 -2.029 11.996 1.00 0.00 H new ATOM 0 HG2 ARG B 40 10.149 0.068 12.803 1.00 0.00 H new ATOM 0 HG3 ARG B 40 10.313 0.067 11.058 1.00 0.00 H new ATOM 0 HD2 ARG B 40 8.150 1.004 11.703 1.00 0.00 H new ATOM 0 HD3 ARG B 40 7.922 -0.484 10.806 1.00 0.00 H new ATOM 0 HE ARG B 40 7.941 -1.251 13.506 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.094 1.000 11.493 1.00 0.00 H new ATOM 0 HH12 ARG B 40 4.597 0.768 12.403 1.00 0.00 H new ATOM 0 HH21 ARG B 40 6.006 -1.549 14.662 1.00 0.00 H new ATOM 0 HH22 ARG B 40 4.548 -0.670 14.190 1.00 0.00 H new ATOM 643 N PHE B 41 11.300 -3.871 9.497 1.00 0.00 N ATOM 644 CA PHE B 41 12.215 -4.977 9.226 1.00 0.00 C ATOM 645 C PHE B 41 13.662 -4.537 9.365 1.00 0.00 C ATOM 646 O PHE B 41 14.039 -3.447 8.928 1.00 0.00 O ATOM 647 CB PHE B 41 12.014 -5.548 7.819 1.00 0.00 C ATOM 648 CG PHE B 41 10.805 -6.422 7.673 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.531 -5.882 7.654 1.00 0.00 C ATOM 650 CD2 PHE B 41 10.949 -7.795 7.559 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.424 -6.695 7.524 1.00 0.00 C ATOM 652 CE2 PHE B 41 9.844 -8.614 7.429 1.00 0.00 C ATOM 653 CZ PHE B 41 8.579 -8.062 7.412 1.00 0.00 C ATOM 0 H PHE B 41 11.404 -3.076 8.866 1.00 0.00 H new ATOM 0 HA PHE B 41 11.991 -5.750 9.961 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.938 -4.722 7.112 1.00 0.00 H new ATOM 0 HB3 PHE B 41 12.898 -6.123 7.543 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.402 -4.813 7.742 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.937 -8.231 7.572 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.435 -6.261 7.510 1.00 0.00 H new ATOM 0 HE2 PHE B 41 9.970 -9.683 7.341 1.00 0.00 H new ATOM 0 HZ PHE B 41 7.712 -8.698 7.311 1.00 0.00 H new ATOM 663 N LYS B 42 14.467 -5.398 9.954 1.00 0.00 N ATOM 664 CA LYS B 42 15.892 -5.156 10.085 1.00 0.00 C ATOM 665 C LYS B 42 16.663 -6.379 9.611 1.00 0.00 C ATOM 666 O LYS B 42 16.545 -7.465 10.181 1.00 0.00 O ATOM 667 CB LYS B 42 16.250 -4.809 11.533 1.00 0.00 C ATOM 668 CG LYS B 42 15.672 -5.771 12.559 1.00 0.00 C ATOM 669 CD LYS B 42 15.972 -5.312 13.972 1.00 0.00 C ATOM 670 CE LYS B 42 15.276 -6.183 15.008 1.00 0.00 C ATOM 671 NZ LYS B 42 15.768 -7.586 14.988 1.00 0.00 N ATOM 0 H LYS B 42 14.155 -6.283 10.354 1.00 0.00 H new ATOM 0 HA LYS B 42 16.168 -4.305 9.463 1.00 0.00 H new ATOM 0 HB2 LYS B 42 17.335 -4.794 11.635 1.00 0.00 H new ATOM 0 HB3 LYS B 42 15.895 -3.802 11.753 1.00 0.00 H new ATOM 0 HG2 LYS B 42 14.594 -5.849 12.421 1.00 0.00 H new ATOM 0 HG3 LYS B 42 16.087 -6.767 12.402 1.00 0.00 H new ATOM 0 HD2 LYS B 42 17.049 -5.336 14.141 1.00 0.00 H new ATOM 0 HD3 LYS B 42 15.653 -4.277 14.094 1.00 0.00 H new ATOM 0 HE2 LYS B 42 15.433 -5.759 16.000 1.00 0.00 H new ATOM 0 HE3 LYS B 42 14.202 -6.174 14.824 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 15.315 -8.124 15.754 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 15.535 -8.023 14.073 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 16.799 -7.594 15.122 1.00 0.00 H new ATOM 685 N GLY B 43 17.433 -6.206 8.553 1.00 0.00 N ATOM 686 CA GLY B 43 18.147 -7.323 7.973 1.00 0.00 C ATOM 687 C GLY B 43 17.340 -8.011 6.893 1.00 0.00 C ATOM 688 O GLY B 43 17.424 -9.228 6.722 1.00 0.00 O ATOM 0 H GLY B 43 17.578 -5.312 8.083 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.090 -6.972 7.553 1.00 0.00 H new ATOM 0 HA3 GLY B 43 18.394 -8.041 8.755 1.00 0.00 H new ATOM 692 N ALA B 44 16.526 -7.240 6.181 1.00 0.00 N ATOM 693 CA ALA B 44 15.772 -7.764 5.058 1.00 0.00 C ATOM 694 C ALA B 44 15.965 -6.874 3.843 1.00 0.00 C ATOM 695 O ALA B 44 16.541 -5.791 3.956 1.00 0.00 O ATOM 696 CB ALA B 44 14.297 -7.880 5.410 1.00 0.00 C ATOM 0 H ALA B 44 16.374 -6.248 6.365 1.00 0.00 H new ATOM 0 HA ALA B 44 16.142 -8.762 4.823 1.00 0.00 H new ATOM 0 HB1 ALA B 44 13.749 -8.275 4.555 1.00 0.00 H new ATOM 0 HB2 ALA B 44 14.177 -8.552 6.259 1.00 0.00 H new ATOM 0 HB3 ALA B 44 13.906 -6.896 5.669 1.00 0.00 H new ATOM 702 N ALA B 45 15.491 -7.321 2.688 1.00 0.00 N ATOM 703 CA ALA B 45 15.580 -6.522 1.470 1.00 0.00 C ATOM 704 C ALA B 45 14.746 -5.251 1.604 1.00 0.00 C ATOM 705 O ALA B 45 14.944 -4.274 0.880 1.00 0.00 O ATOM 706 CB ALA B 45 15.126 -7.337 0.271 1.00 0.00 C ATOM 0 H ALA B 45 15.042 -8.229 2.567 1.00 0.00 H new ATOM 0 HA ALA B 45 16.620 -6.234 1.317 1.00 0.00 H new ATOM 0 HB1 ALA B 45 15.198 -6.729 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.762 -8.216 0.167 1.00 0.00 H new ATOM 0 HB3 ALA B 45 14.092 -7.652 0.415 1.00 0.00 H new ATOM 712 N TYR B 46 13.832 -5.274 2.561 1.00 0.00 N ATOM 713 CA TYR B 46 12.960 -4.160 2.841 1.00 0.00 C ATOM 714 C TYR B 46 13.061 -3.819 4.315 1.00 0.00 C ATOM 715 O TYR B 46 13.306 -4.693 5.146 1.00 0.00 O ATOM 716 CB TYR B 46 11.518 -4.504 2.452 1.00 0.00 C ATOM 717 CG TYR B 46 11.188 -5.969 2.616 1.00 0.00 C ATOM 718 CD1 TYR B 46 10.866 -6.498 3.857 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.220 -6.824 1.523 1.00 0.00 C ATOM 720 CE1 TYR B 46 10.581 -7.840 4.002 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.939 -8.166 1.662 1.00 0.00 C ATOM 722 CZ TYR B 46 10.620 -8.667 2.903 1.00 0.00 C ATOM 723 OH TYR B 46 10.346 -10.001 3.044 1.00 0.00 O ATOM 0 H TYR B 46 13.678 -6.079 3.168 1.00 0.00 H new ATOM 0 HA TYR B 46 13.263 -3.294 2.253 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.834 -3.914 3.062 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.350 -4.215 1.415 1.00 0.00 H new ATOM 0 HD1 TYR B 46 10.838 -5.851 4.721 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.469 -6.431 0.548 1.00 0.00 H new ATOM 0 HE1 TYR B 46 10.329 -8.239 4.973 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.969 -8.820 0.803 1.00 0.00 H new ATOM 0 HH TYR B 46 10.986 -10.524 2.518 1.00 0.00 H new ATOM 733 N LYS B 47 12.914 -2.552 4.632 1.00 0.00 N ATOM 734 CA LYS B 47 13.059 -2.084 5.999 1.00 0.00 C ATOM 735 C LYS B 47 11.694 -1.794 6.588 1.00 0.00 C ATOM 736 O LYS B 47 11.529 -1.709 7.803 1.00 0.00 O ATOM 737 CB LYS B 47 13.927 -0.818 6.063 1.00 0.00 C ATOM 738 CG LYS B 47 15.385 -1.018 5.649 1.00 0.00 C ATOM 739 CD LYS B 47 15.536 -1.276 4.156 1.00 0.00 C ATOM 740 CE LYS B 47 15.100 -0.082 3.319 1.00 0.00 C ATOM 741 NZ LYS B 47 15.000 -0.430 1.880 1.00 0.00 N ATOM 0 H LYS B 47 12.692 -1.819 3.958 1.00 0.00 H new ATOM 0 HA LYS B 47 13.551 -2.867 6.576 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.483 -0.057 5.421 1.00 0.00 H new ATOM 0 HB3 LYS B 47 13.903 -0.429 7.081 1.00 0.00 H new ATOM 0 HG2 LYS B 47 15.962 -0.134 5.922 1.00 0.00 H new ATOM 0 HG3 LYS B 47 15.805 -1.857 6.204 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.576 -1.513 3.933 1.00 0.00 H new ATOM 0 HD3 LYS B 47 14.944 -2.148 3.878 1.00 0.00 H new ATOM 0 HE2 LYS B 47 14.135 0.279 3.674 1.00 0.00 H new ATOM 0 HE3 LYS B 47 15.812 0.733 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 14.817 0.431 1.326 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 15.892 -0.862 1.564 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.221 -1.104 1.739 1.00 0.00 H new ATOM 755 N LEU B 48 10.721 -1.636 5.713 1.00 0.00 N ATOM 756 CA LEU B 48 9.366 -1.345 6.132 1.00 0.00 C ATOM 757 C LEU B 48 8.369 -2.141 5.297 1.00 0.00 C ATOM 758 O LEU B 48 8.483 -2.210 4.073 1.00 0.00 O ATOM 759 CB LEU B 48 9.101 0.160 5.994 1.00 0.00 C ATOM 760 CG LEU B 48 8.294 0.806 7.127 1.00 0.00 C ATOM 761 CD1 LEU B 48 6.904 0.216 7.215 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.005 0.636 8.455 1.00 0.00 C ATOM 0 H LEU B 48 10.845 -1.705 4.703 1.00 0.00 H new ATOM 0 HA LEU B 48 9.243 -1.635 7.175 1.00 0.00 H new ATOM 0 HB2 LEU B 48 10.060 0.673 5.920 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.574 0.332 5.055 1.00 0.00 H new ATOM 0 HG LEU B 48 8.206 1.869 6.902 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.357 0.694 8.027 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.378 0.383 6.275 1.00 0.00 H new ATOM 0 HD13 LEU B 48 6.975 -0.855 7.406 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.416 1.101 9.245 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.126 -0.426 8.670 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.985 1.110 8.406 1.00 0.00 H new ATOM 774 N ARG B 49 7.410 -2.759 5.967 1.00 0.00 N ATOM 775 CA ARG B 49 6.332 -3.462 5.292 1.00 0.00 C ATOM 776 C ARG B 49 5.003 -2.838 5.683 1.00 0.00 C ATOM 777 O ARG B 49 4.745 -2.605 6.863 1.00 0.00 O ATOM 778 CB ARG B 49 6.325 -4.944 5.662 1.00 0.00 C ATOM 779 CG ARG B 49 5.376 -5.774 4.814 1.00 0.00 C ATOM 780 CD ARG B 49 5.213 -7.182 5.363 1.00 0.00 C ATOM 781 NE ARG B 49 4.421 -7.205 6.592 1.00 0.00 N ATOM 782 CZ ARG B 49 3.848 -8.302 7.088 1.00 0.00 C ATOM 783 NH1 ARG B 49 3.993 -9.469 6.477 1.00 0.00 N ATOM 784 NH2 ARG B 49 3.129 -8.231 8.200 1.00 0.00 N ATOM 0 H ARG B 49 7.357 -2.788 6.985 1.00 0.00 H new ATOM 0 HA ARG B 49 6.485 -3.377 4.216 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.335 -5.341 5.558 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.048 -5.048 6.711 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.403 -5.285 4.773 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.751 -5.824 3.792 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.734 -7.810 4.612 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.196 -7.611 5.558 1.00 0.00 H new ATOM 0 HE ARG B 49 4.300 -6.329 7.100 1.00 0.00 H new ATOM 0 HH11 ARG B 49 4.546 -9.532 5.622 1.00 0.00 H new ATOM 0 HH12 ARG B 49 3.552 -10.304 6.862 1.00 0.00 H new ATOM 0 HH21 ARG B 49 3.014 -7.337 8.677 1.00 0.00 H new ATOM 0 HH22 ARG B 49 2.691 -9.071 8.579 1.00 0.00 H new ATOM 798 N ILE B 50 4.176 -2.542 4.700 1.00 0.00 N ATOM 799 CA ILE B 50 2.872 -1.956 4.959 1.00 0.00 C ATOM 800 C ILE B 50 1.804 -2.773 4.243 1.00 0.00 C ATOM 801 O ILE B 50 1.925 -3.057 3.054 1.00 0.00 O ATOM 802 CB ILE B 50 2.765 -0.468 4.504 1.00 0.00 C ATOM 803 CG1 ILE B 50 3.952 0.386 4.981 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.483 0.144 5.039 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.255 0.133 4.259 1.00 0.00 C ATOM 0 H ILE B 50 4.382 -2.697 3.713 1.00 0.00 H new ATOM 0 HA ILE B 50 2.725 -1.973 6.039 1.00 0.00 H new ATOM 0 HB ILE B 50 2.770 -0.473 3.414 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.691 1.438 4.869 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.104 0.207 6.045 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.414 1.183 4.718 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.627 -0.412 4.656 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.486 0.100 6.128 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.029 0.783 4.667 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.548 -0.908 4.392 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.129 0.342 3.197 1.00 0.00 H new ATOM 817 N LEU B 51 0.780 -3.174 4.973 1.00 0.00 N ATOM 818 CA LEU B 51 -0.298 -3.966 4.414 1.00 0.00 C ATOM 819 C LEU B 51 -1.571 -3.148 4.373 1.00 0.00 C ATOM 820 O LEU B 51 -2.035 -2.680 5.404 1.00 0.00 O ATOM 821 CB LEU B 51 -0.518 -5.229 5.250 1.00 0.00 C ATOM 822 CG LEU B 51 0.211 -6.487 4.772 1.00 0.00 C ATOM 823 CD1 LEU B 51 -0.293 -6.893 3.405 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.715 -6.273 4.737 1.00 0.00 C ATOM 0 H LEU B 51 0.673 -2.961 5.965 1.00 0.00 H new ATOM 0 HA LEU B 51 -0.028 -4.259 3.400 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -0.208 -5.021 6.274 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.587 -5.441 5.277 1.00 0.00 H new ATOM 0 HG LEU B 51 0.003 -7.288 5.481 1.00 0.00 H new ATOM 0 HD11 LEU B 51 0.233 -7.789 3.075 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.362 -7.098 3.458 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -0.113 -6.085 2.696 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.204 -7.184 4.393 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.950 -5.456 4.055 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.071 -6.025 5.737 1.00 0.00 H new ATOM 836 N ILE B 52 -2.113 -2.954 3.184 1.00 0.00 N ATOM 837 CA ILE B 52 -3.355 -2.210 3.033 1.00 0.00 C ATOM 838 C ILE B 52 -4.362 -3.032 2.243 1.00 0.00 C ATOM 839 O ILE B 52 -4.245 -3.168 1.027 1.00 0.00 O ATOM 840 CB ILE B 52 -3.155 -0.852 2.311 1.00 0.00 C ATOM 841 CG1 ILE B 52 -2.012 -0.043 2.932 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.441 -0.044 2.355 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.652 -0.374 2.359 1.00 0.00 C ATOM 0 H ILE B 52 -1.716 -3.299 2.310 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.721 -2.009 4.040 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.891 -1.064 1.275 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.209 1.019 2.786 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.996 -0.220 4.007 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.290 0.908 1.845 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.237 -0.599 1.859 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.720 0.140 3.393 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.107 0.238 2.847 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.433 -1.428 2.528 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.649 -0.170 1.288 1.00 0.00 H new ATOM 855 N GLU B 53 -5.338 -3.597 2.927 1.00 0.00 N ATOM 856 CA GLU B 53 -6.358 -4.385 2.254 1.00 0.00 C ATOM 857 C GLU B 53 -7.700 -3.678 2.309 1.00 0.00 C ATOM 858 O GLU B 53 -7.959 -2.880 3.211 1.00 0.00 O ATOM 859 CB GLU B 53 -6.472 -5.781 2.869 1.00 0.00 C ATOM 860 CG GLU B 53 -7.081 -5.794 4.254 1.00 0.00 C ATOM 861 CD GLU B 53 -7.114 -7.182 4.853 1.00 0.00 C ATOM 862 OE1 GLU B 53 -8.118 -7.899 4.647 1.00 0.00 O ATOM 863 OE2 GLU B 53 -6.136 -7.569 5.525 1.00 0.00 O ATOM 0 H GLU B 53 -5.448 -3.528 3.939 1.00 0.00 H new ATOM 0 HA GLU B 53 -6.060 -4.495 1.211 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -7.075 -6.408 2.212 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -5.479 -6.229 2.915 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.510 -5.133 4.906 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -8.095 -5.397 4.206 1.00 0.00 H new ATOM 870 N ASN B 54 -8.541 -3.970 1.337 1.00 0.00 N ATOM 871 CA ASN B 54 -9.858 -3.357 1.253 1.00 0.00 C ATOM 872 C ASN B 54 -10.894 -4.307 1.815 1.00 0.00 C ATOM 873 O ASN B 54 -11.336 -5.233 1.134 1.00 0.00 O ATOM 874 CB ASN B 54 -10.216 -3.030 -0.193 1.00 0.00 C ATOM 875 CG ASN B 54 -11.300 -1.968 -0.322 1.00 0.00 C ATOM 876 OD1 ASN B 54 -11.281 -1.166 -1.251 1.00 0.00 O ATOM 877 ND2 ASN B 54 -12.264 -1.963 0.587 1.00 0.00 N ATOM 0 H ASN B 54 -8.337 -4.632 0.588 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.842 -2.432 1.829 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.321 -2.690 -0.713 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.548 -3.940 -0.692 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -13.019 -1.279 0.526 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -12.252 -2.643 1.347 1.00 0.00 H new ATOM 884 N LYS B 55 -11.289 -4.060 3.044 1.00 0.00 N ATOM 885 CA LYS B 55 -12.233 -4.920 3.727 1.00 0.00 C ATOM 886 C LYS B 55 -13.372 -4.102 4.318 1.00 0.00 C ATOM 887 O LYS B 55 -13.273 -3.590 5.430 1.00 0.00 O ATOM 888 CB LYS B 55 -11.508 -5.706 4.826 1.00 0.00 C ATOM 889 CG LYS B 55 -10.584 -4.846 5.678 1.00 0.00 C ATOM 890 CD LYS B 55 -9.869 -5.662 6.741 1.00 0.00 C ATOM 891 CE LYS B 55 -10.823 -6.145 7.820 1.00 0.00 C ATOM 892 NZ LYS B 55 -10.104 -6.868 8.903 1.00 0.00 N ATOM 0 H LYS B 55 -10.969 -3.264 3.596 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.659 -5.621 3.009 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.248 -6.180 5.471 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -10.927 -6.505 4.367 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.848 -4.360 5.038 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.162 -4.055 6.156 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.383 -6.519 6.275 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.083 -5.058 7.195 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -11.357 -5.294 8.242 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -11.571 -6.802 7.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -10.737 -6.990 9.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -9.802 -7.801 8.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -9.269 -6.319 9.192 1.00 0.00 H new ATOM 906 N ALA B 56 -14.452 -3.973 3.569 1.00 0.00 N ATOM 907 CA ALA B 56 -15.627 -3.283 4.066 1.00 0.00 C ATOM 908 C ALA B 56 -16.894 -4.062 3.750 1.00 0.00 C ATOM 909 O ALA B 56 -16.899 -4.892 2.841 1.00 0.00 O ATOM 910 CB ALA B 56 -15.715 -1.890 3.469 1.00 0.00 C ATOM 0 H ALA B 56 -14.539 -4.335 2.619 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.534 -3.202 5.149 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.602 -1.385 3.852 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.827 -1.320 3.742 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.779 -1.963 2.383 1.00 0.00 H new ATOM 1027 N PHE B 64 -5.921 1.375 -8.019 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.776 1.724 -7.196 1.00 0.00 C ATOM 1029 C PHE B 64 -3.748 2.487 -8.010 1.00 0.00 C ATOM 1030 O PHE B 64 -3.207 1.965 -8.989 1.00 0.00 O ATOM 1031 CB PHE B 64 -4.134 0.471 -6.596 1.00 0.00 C ATOM 1032 CG PHE B 64 -4.936 -0.143 -5.488 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -4.795 0.314 -4.190 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -5.821 -1.177 -5.740 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -5.523 -0.247 -3.160 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -6.553 -1.741 -4.714 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.404 -1.276 -3.422 1.00 0.00 C ATOM 0 HA PHE B 64 -5.129 2.359 -6.384 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -3.994 -0.268 -7.385 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.144 0.726 -6.218 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -4.107 1.120 -3.980 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -5.940 -1.546 -6.748 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -5.403 0.119 -2.151 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -7.242 -2.546 -4.922 1.00 0.00 H new ATOM 0 HZ PHE B 64 -6.976 -1.717 -2.619 1.00 0.00 H new ATOM 1047 N SER B 65 -3.488 3.722 -7.614 1.00 0.00 N ATOM 1048 CA SER B 65 -2.470 4.529 -8.265 1.00 0.00 C ATOM 1049 C SER B 65 -1.584 5.188 -7.213 1.00 0.00 C ATOM 1050 O SER B 65 -1.738 6.371 -6.904 1.00 0.00 O ATOM 1051 CB SER B 65 -3.131 5.593 -9.141 1.00 0.00 C ATOM 1052 OG SER B 65 -4.125 5.022 -9.981 1.00 0.00 O ATOM 0 H SER B 65 -3.968 4.188 -6.844 1.00 0.00 H new ATOM 0 HA SER B 65 -1.853 3.889 -8.896 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.581 6.359 -8.510 1.00 0.00 H new ATOM 0 HB3 SER B 65 -2.375 6.086 -9.752 1.00 0.00 H new ATOM 0 HG SER B 65 -4.533 5.724 -10.529 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.635 4.423 -6.661 1.00 0.00 N ATOM 1059 CA PRO B 66 0.264 4.908 -5.624 1.00 0.00 C ATOM 1060 C PRO B 66 1.455 5.665 -6.195 1.00 0.00 C ATOM 1061 O PRO B 66 1.873 5.437 -7.334 1.00 0.00 O ATOM 1062 CB PRO B 66 0.718 3.624 -4.942 1.00 0.00 C ATOM 1063 CG PRO B 66 0.703 2.602 -6.025 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.379 3.011 -6.990 1.00 0.00 C ATOM 0 HA PRO B 66 -0.220 5.619 -4.954 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.714 3.733 -4.513 1.00 0.00 H new ATOM 0 HB3 PRO B 66 0.048 3.349 -4.127 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.670 2.554 -6.525 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.505 1.610 -5.619 1.00 0.00 H new ATOM 0 HD2 PRO B 66 -0.056 2.894 -8.025 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.275 2.403 -6.866 1.00 0.00 H new ATOM 1072 N SER B 67 1.999 6.571 -5.405 1.00 0.00 N ATOM 1073 CA SER B 67 3.120 7.387 -5.838 1.00 0.00 C ATOM 1074 C SER B 67 3.897 7.897 -4.631 1.00 0.00 C ATOM 1075 O SER B 67 3.317 8.174 -3.579 1.00 0.00 O ATOM 1076 CB SER B 67 2.641 8.566 -6.690 1.00 0.00 C ATOM 1077 OG SER B 67 1.771 8.136 -7.728 1.00 0.00 O ATOM 0 H SER B 67 1.681 6.762 -4.455 1.00 0.00 H new ATOM 0 HA SER B 67 3.776 6.767 -6.448 1.00 0.00 H new ATOM 0 HB2 SER B 67 2.126 9.288 -6.057 1.00 0.00 H new ATOM 0 HB3 SER B 67 3.501 9.077 -7.122 1.00 0.00 H new ATOM 0 HG SER B 67 1.481 8.911 -8.254 1.00 0.00 H new ATOM 1083 N TYR B 68 5.202 8.017 -4.793 1.00 0.00 N ATOM 1084 CA TYR B 68 6.073 8.449 -3.717 1.00 0.00 C ATOM 1085 C TYR B 68 6.582 9.857 -3.974 1.00 0.00 C ATOM 1086 O TYR B 68 7.169 10.136 -5.020 1.00 0.00 O ATOM 1087 CB TYR B 68 7.255 7.490 -3.568 1.00 0.00 C ATOM 1088 CG TYR B 68 8.314 7.971 -2.602 1.00 0.00 C ATOM 1089 CD1 TYR B 68 8.038 8.116 -1.248 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.587 8.292 -3.051 1.00 0.00 C ATOM 1091 CE1 TYR B 68 9.004 8.565 -0.368 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.556 8.743 -2.176 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.260 8.877 -0.837 1.00 0.00 C ATOM 1094 OH TYR B 68 11.224 9.328 0.038 1.00 0.00 O ATOM 0 H TYR B 68 5.685 7.819 -5.669 1.00 0.00 H new ATOM 0 HA TYR B 68 5.496 8.447 -2.792 1.00 0.00 H new ATOM 0 HB2 TYR B 68 6.885 6.521 -3.233 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.711 7.336 -4.546 1.00 0.00 H new ATOM 0 HD1 TYR B 68 7.053 7.874 -0.878 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.824 8.188 -4.100 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.775 8.671 0.682 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.542 8.990 -2.540 1.00 0.00 H new ATOM 0 HH TYR B 68 12.085 8.914 -0.182 1.00 0.00 H new ATOM 1104 N ASN B 69 6.351 10.739 -3.022 1.00 0.00 N ATOM 1105 CA ASN B 69 6.855 12.098 -3.117 1.00 0.00 C ATOM 1106 C ASN B 69 8.041 12.297 -2.184 1.00 0.00 C ATOM 1107 O ASN B 69 7.910 12.197 -0.964 1.00 0.00 O ATOM 1108 CB ASN B 69 5.749 13.125 -2.833 1.00 0.00 C ATOM 1109 CG ASN B 69 4.927 12.806 -1.603 1.00 0.00 C ATOM 1110 OD1 ASN B 69 3.995 12.007 -1.649 1.00 0.00 O ATOM 1111 ND2 ASN B 69 5.236 13.469 -0.507 1.00 0.00 N ATOM 0 H ASN B 69 5.819 10.541 -2.175 1.00 0.00 H new ATOM 0 HA ASN B 69 7.196 12.259 -4.140 1.00 0.00 H new ATOM 0 HB2 ASN B 69 6.201 14.109 -2.712 1.00 0.00 H new ATOM 0 HB3 ASN B 69 5.087 13.182 -3.697 1.00 0.00 H new ATOM 0 HD21 ASN B 69 4.693 13.327 0.345 1.00 0.00 H new ATOM 0 HD22 ASN B 69 6.018 14.124 -0.510 1.00 0.00 H new ATOM 1118 N PHE B 70 9.198 12.583 -2.777 1.00 0.00 N ATOM 1119 CA PHE B 70 10.447 12.740 -2.031 1.00 0.00 C ATOM 1120 C PHE B 70 10.388 13.969 -1.137 1.00 0.00 C ATOM 1121 O PHE B 70 11.073 14.045 -0.118 1.00 0.00 O ATOM 1122 CB PHE B 70 11.636 12.875 -2.989 1.00 0.00 C ATOM 1123 CG PHE B 70 11.898 11.664 -3.842 1.00 0.00 C ATOM 1124 CD1 PHE B 70 11.153 11.427 -4.986 1.00 0.00 C ATOM 1125 CD2 PHE B 70 12.897 10.767 -3.502 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.399 10.318 -5.772 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.149 9.656 -4.285 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.396 9.431 -5.421 1.00 0.00 C ATOM 0 H PHE B 70 9.297 12.712 -3.784 1.00 0.00 H new ATOM 0 HA PHE B 70 10.579 11.851 -1.414 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.464 13.731 -3.641 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.531 13.093 -2.407 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.371 12.117 -5.266 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.487 10.938 -2.614 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.811 10.145 -6.661 1.00 0.00 H new ATOM 0 HE2 PHE B 70 13.933 8.966 -4.009 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.587 8.562 -6.033 1.00 0.00 H new ATOM 1138 N ALA B 71 9.561 14.927 -1.539 1.00 0.00 N ATOM 1139 CA ALA B 71 9.412 16.183 -0.817 1.00 0.00 C ATOM 1140 C ALA B 71 9.056 15.949 0.644 1.00 0.00 C ATOM 1141 O ALA B 71 9.706 16.480 1.544 1.00 0.00 O ATOM 1142 CB ALA B 71 8.351 17.041 -1.487 1.00 0.00 C ATOM 0 H ALA B 71 8.977 14.855 -2.372 1.00 0.00 H new ATOM 0 HA ALA B 71 10.369 16.704 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA B 71 8.244 17.979 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.648 17.250 -2.515 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.399 16.510 -1.485 1.00 0.00 H new ATOM 1148 N GLU B 72 8.034 15.137 0.871 1.00 0.00 N ATOM 1149 CA GLU B 72 7.557 14.877 2.219 1.00 0.00 C ATOM 1150 C GLU B 72 7.824 13.434 2.608 1.00 0.00 C ATOM 1151 O GLU B 72 7.343 12.969 3.638 1.00 0.00 O ATOM 1152 CB GLU B 72 6.062 15.155 2.326 1.00 0.00 C ATOM 1153 CG GLU B 72 5.593 16.305 1.456 1.00 0.00 C ATOM 1154 CD GLU B 72 4.149 16.679 1.710 1.00 0.00 C ATOM 1155 OE1 GLU B 72 3.896 17.527 2.591 1.00 0.00 O ATOM 1156 OE2 GLU B 72 3.258 16.129 1.029 1.00 0.00 O ATOM 0 H GLU B 72 7.520 14.647 0.139 1.00 0.00 H new ATOM 0 HA GLU B 72 8.094 15.541 2.896 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.513 14.255 2.050 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.815 15.373 3.365 1.00 0.00 H new ATOM 0 HG2 GLU B 72 6.226 17.174 1.637 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.715 16.035 0.407 1.00 0.00 H new ATOM 1163 N ASN B 73 8.566 12.735 1.740 1.00 0.00 N ATOM 1164 CA ASN B 73 8.953 11.326 1.930 1.00 0.00 C ATOM 1165 C ASN B 73 7.743 10.455 2.265 1.00 0.00 C ATOM 1166 O ASN B 73 7.794 9.575 3.130 1.00 0.00 O ATOM 1167 CB ASN B 73 10.070 11.160 2.988 1.00 0.00 C ATOM 1168 CG ASN B 73 9.708 11.697 4.363 1.00 0.00 C ATOM 1169 OD1 ASN B 73 10.010 12.844 4.697 1.00 0.00 O ATOM 1170 ND2 ASN B 73 9.043 10.886 5.161 1.00 0.00 N ATOM 0 H ASN B 73 8.921 13.136 0.872 1.00 0.00 H new ATOM 0 HA ASN B 73 9.362 10.983 0.979 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.317 10.102 3.077 1.00 0.00 H new ATOM 0 HB3 ASN B 73 10.967 11.669 2.636 1.00 0.00 H new ATOM 0 HD21 ASN B 73 8.761 11.202 6.089 1.00 0.00 H new ATOM 0 HD22 ASN B 73 8.810 9.943 4.851 1.00 0.00 H new ATOM 1177 N ILE B 74 6.654 10.695 1.556 1.00 0.00 N ATOM 1178 CA ILE B 74 5.418 9.977 1.807 1.00 0.00 C ATOM 1179 C ILE B 74 4.992 9.160 0.594 1.00 0.00 C ATOM 1180 O ILE B 74 5.108 9.610 -0.548 1.00 0.00 O ATOM 1181 CB ILE B 74 4.309 10.963 2.227 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.653 11.539 3.602 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.945 10.288 2.246 1.00 0.00 C ATOM 1184 CD1 ILE B 74 3.925 12.813 3.940 1.00 0.00 C ATOM 0 H ILE B 74 6.601 11.381 0.803 1.00 0.00 H new ATOM 0 HA ILE B 74 5.590 9.276 2.624 1.00 0.00 H new ATOM 0 HB ILE B 74 4.254 11.770 1.497 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.426 10.792 4.363 1.00 0.00 H new ATOM 0 HG13 ILE B 74 5.726 11.725 3.647 1.00 0.00 H new ATOM 0 HG21 ILE B 74 2.186 11.010 2.546 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.713 9.909 1.251 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.959 9.460 2.955 1.00 0.00 H new ATOM 0 HD11 ILE B 74 4.227 13.153 4.931 1.00 0.00 H new ATOM 0 HD12 ILE B 74 4.170 13.578 3.204 1.00 0.00 H new ATOM 0 HD13 ILE B 74 2.850 12.631 3.931 1.00 0.00 H new ATOM 1196 N LEU B 75 4.534 7.945 0.856 1.00 0.00 N ATOM 1197 CA LEU B 75 4.037 7.062 -0.182 1.00 0.00 C ATOM 1198 C LEU B 75 2.517 7.022 -0.104 1.00 0.00 C ATOM 1199 O LEU B 75 1.945 6.417 0.800 1.00 0.00 O ATOM 1200 CB LEU B 75 4.647 5.657 -0.005 1.00 0.00 C ATOM 1201 CG LEU B 75 4.295 4.600 -1.070 1.00 0.00 C ATOM 1202 CD1 LEU B 75 2.907 4.022 -0.844 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.405 5.184 -2.467 1.00 0.00 C ATOM 0 H LEU B 75 4.497 7.546 1.794 1.00 0.00 H new ATOM 0 HA LEU B 75 4.327 7.429 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.732 5.760 0.024 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.337 5.274 0.967 1.00 0.00 H new ATOM 0 HG LEU B 75 5.015 3.787 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.692 3.280 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU B 75 2.865 3.550 0.137 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.167 4.821 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.152 4.420 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.717 6.024 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.425 5.528 -2.638 1.00 0.00 H new ATOM 1215 N TYR B 76 1.859 7.677 -1.039 1.00 0.00 N ATOM 1216 CA TYR B 76 0.411 7.725 -1.029 1.00 0.00 C ATOM 1217 C TYR B 76 -0.142 6.601 -1.900 1.00 0.00 C ATOM 1218 O TYR B 76 0.411 6.297 -2.958 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.076 9.108 -1.492 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.729 9.131 -2.848 1.00 0.00 C ATOM 1221 CD1 TYR B 76 0.025 9.308 -3.996 1.00 0.00 C ATOM 1222 CD2 TYR B 76 -2.100 8.977 -2.975 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -0.570 9.330 -5.239 1.00 0.00 C ATOM 1224 CE2 TYR B 76 -2.705 8.997 -4.216 1.00 0.00 C ATOM 1225 CZ TYR B 76 -1.935 9.174 -5.345 1.00 0.00 C ATOM 1226 OH TYR B 76 -2.530 9.187 -6.585 1.00 0.00 O ATOM 0 H TYR B 76 2.299 8.180 -1.810 1.00 0.00 H new ATOM 0 HA TYR B 76 0.041 7.575 -0.015 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -0.784 9.492 -0.758 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.773 9.791 -1.503 1.00 0.00 H new ATOM 0 HD1 TYR B 76 1.095 9.431 -3.916 1.00 0.00 H new ATOM 0 HD2 TYR B 76 -2.704 8.839 -2.091 1.00 0.00 H new ATOM 0 HE1 TYR B 76 0.031 9.469 -6.126 1.00 0.00 H new ATOM 0 HE2 TYR B 76 -3.775 8.875 -4.301 1.00 0.00 H new ATOM 0 HH TYR B 76 -2.433 8.306 -7.004 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.219 5.977 -1.435 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.801 4.837 -2.129 1.00 0.00 C ATOM 1238 C ILE B 77 -2.900 5.284 -3.085 1.00 0.00 C ATOM 1239 O ILE B 77 -2.842 5.013 -4.279 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.380 3.810 -1.131 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.265 3.195 -0.276 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -3.156 2.726 -1.866 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.236 2.420 -1.074 1.00 0.00 C ATOM 0 H ILE B 77 -1.706 6.243 -0.579 1.00 0.00 H new ATOM 0 HA ILE B 77 -1.001 4.364 -2.698 1.00 0.00 H new ATOM 0 HB ILE B 77 -3.069 4.331 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.761 3.990 0.273 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.712 2.531 0.464 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.556 2.013 -1.145 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -3.977 3.179 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.492 2.209 -2.558 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.519 2.016 -0.399 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.726 1.602 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.240 3.084 -1.796 1.00 0.00 H new ATOM 1255 N ASN B 78 -3.894 5.970 -2.541 1.00 0.00 N ATOM 1256 CA ASN B 78 -5.035 6.441 -3.319 1.00 0.00 C ATOM 1257 C ASN B 78 -5.596 7.691 -2.676 1.00 0.00 C ATOM 1258 O ASN B 78 -5.077 8.153 -1.662 1.00 0.00 O ATOM 1259 CB ASN B 78 -6.139 5.377 -3.381 1.00 0.00 C ATOM 1260 CG ASN B 78 -5.933 4.349 -4.476 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -5.359 4.639 -5.526 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -6.414 3.140 -4.242 1.00 0.00 N ATOM 0 H ASN B 78 -3.935 6.216 -1.552 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.695 6.651 -4.333 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -6.193 4.865 -2.420 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -7.099 5.870 -3.534 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -6.316 2.407 -4.945 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -6.883 2.940 -3.359 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.670 8.217 -3.244 1.00 0.00 N ATOM 1270 CA GLY B 79 -7.344 9.357 -2.650 1.00 0.00 C ATOM 1271 C GLY B 79 -8.197 8.956 -1.463 1.00 0.00 C ATOM 1272 O GLY B 79 -9.123 9.663 -1.083 1.00 0.00 O ATOM 0 H GLY B 79 -7.090 7.875 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -6.604 10.091 -2.333 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -7.970 9.839 -3.400 1.00 0.00 H new ATOM 1276 N LYS B 80 -7.884 7.800 -0.890 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.592 7.297 0.274 1.00 0.00 C ATOM 1278 C LYS B 80 -7.673 7.346 1.484 1.00 0.00 C ATOM 1279 O LYS B 80 -8.100 7.652 2.595 1.00 0.00 O ATOM 1280 CB LYS B 80 -9.056 5.858 0.033 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.728 5.652 -1.314 1.00 0.00 C ATOM 1282 CD LYS B 80 -10.997 6.480 -1.447 1.00 0.00 C ATOM 1283 CE LYS B 80 -11.643 6.292 -2.810 1.00 0.00 C ATOM 1284 NZ LYS B 80 -12.859 7.132 -2.977 1.00 0.00 N ATOM 0 H LYS B 80 -7.136 7.190 -1.219 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.468 7.920 0.455 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -8.197 5.191 0.107 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -9.750 5.572 0.823 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -9.034 5.920 -2.111 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -9.968 4.597 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -11.702 6.195 -0.666 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -10.763 7.534 -1.296 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -10.922 6.541 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -11.907 5.243 -2.943 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -13.265 6.971 -3.921 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -13.559 6.878 -2.251 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -12.604 8.135 -2.877 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.404 7.032 1.250 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.396 7.074 2.300 1.00 0.00 C ATOM 1300 C LEU B 81 -3.983 7.147 1.729 1.00 0.00 C ATOM 1301 O LEU B 81 -3.721 6.721 0.598 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.531 5.886 3.270 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.784 4.502 2.651 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.647 4.070 1.741 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -5.977 3.480 3.752 1.00 0.00 C ATOM 0 H LEU B 81 -6.049 6.745 0.338 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.574 7.989 2.866 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.619 5.829 3.864 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.347 6.103 3.959 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.686 4.569 2.042 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -4.867 3.087 1.325 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.536 4.790 0.930 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.721 4.023 2.314 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.156 2.499 3.311 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.082 3.441 4.373 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.832 3.763 4.366 1.00 0.00 H new ATOM 1317 N SER B 82 -3.090 7.721 2.512 1.00 0.00 N ATOM 1318 CA SER B 82 -1.691 7.810 2.154 1.00 0.00 C ATOM 1319 C SER B 82 -0.834 7.266 3.297 1.00 0.00 C ATOM 1320 O SER B 82 -1.233 7.331 4.464 1.00 0.00 O ATOM 1321 CB SER B 82 -1.335 9.263 1.834 1.00 0.00 C ATOM 1322 OG SER B 82 0.041 9.414 1.558 1.00 0.00 O ATOM 0 H SER B 82 -3.316 8.139 3.415 1.00 0.00 H new ATOM 0 HA SER B 82 -1.495 7.209 1.266 1.00 0.00 H new ATOM 0 HB2 SER B 82 -1.917 9.600 0.977 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.609 9.899 2.676 1.00 0.00 H new ATOM 0 HG SER B 82 0.233 10.354 1.356 1.00 0.00 H new ATOM 1328 N ILE B 83 0.325 6.716 2.963 1.00 0.00 N ATOM 1329 CA ILE B 83 1.179 6.068 3.948 1.00 0.00 C ATOM 1330 C ILE B 83 2.499 6.824 4.113 1.00 0.00 C ATOM 1331 O ILE B 83 3.404 6.708 3.284 1.00 0.00 O ATOM 1332 CB ILE B 83 1.474 4.603 3.548 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.169 3.819 3.343 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.343 3.925 4.597 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.708 3.743 4.577 1.00 0.00 C ATOM 0 H ILE B 83 0.697 6.706 2.013 1.00 0.00 H new ATOM 0 HA ILE B 83 0.643 6.077 4.897 1.00 0.00 H new ATOM 0 HB ILE B 83 2.018 4.613 2.603 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.398 4.283 2.536 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.413 2.807 3.021 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.539 2.896 4.297 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.287 4.462 4.690 1.00 0.00 H new ATOM 0 HG23 ILE B 83 1.826 3.931 5.557 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.609 3.173 4.349 1.00 0.00 H new ATOM 0 HD12 ILE B 83 -0.162 3.251 5.382 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.985 4.750 4.889 1.00 0.00 H new ATOM 1347 N PRO B 84 2.617 7.631 5.176 1.00 0.00 N ATOM 1348 CA PRO B 84 3.846 8.363 5.480 1.00 0.00 C ATOM 1349 C PRO B 84 4.983 7.439 5.888 1.00 0.00 C ATOM 1350 O PRO B 84 4.797 6.502 6.669 1.00 0.00 O ATOM 1351 CB PRO B 84 3.459 9.272 6.652 1.00 0.00 C ATOM 1352 CG PRO B 84 1.972 9.271 6.667 1.00 0.00 C ATOM 1353 CD PRO B 84 1.563 7.923 6.154 1.00 0.00 C ATOM 0 HA PRO B 84 4.211 8.907 4.609 1.00 0.00 H new ATOM 0 HB2 PRO B 84 3.863 8.897 7.592 1.00 0.00 H new ATOM 0 HB3 PRO B 84 3.851 10.280 6.516 1.00 0.00 H new ATOM 0 HG2 PRO B 84 1.590 9.439 7.674 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.573 10.067 6.038 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.528 7.178 6.949 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.575 7.945 5.694 1.00 0.00 H new ATOM 1361 N LEU B 85 6.160 7.711 5.359 1.00 0.00 N ATOM 1362 CA LEU B 85 7.323 6.888 5.636 1.00 0.00 C ATOM 1363 C LEU B 85 8.235 7.590 6.630 1.00 0.00 C ATOM 1364 O LEU B 85 8.206 8.815 6.741 1.00 0.00 O ATOM 1365 CB LEU B 85 8.069 6.612 4.333 1.00 0.00 C ATOM 1366 CG LEU B 85 7.211 6.002 3.223 1.00 0.00 C ATOM 1367 CD1 LEU B 85 8.020 5.864 1.951 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.658 4.652 3.654 1.00 0.00 C ATOM 0 H LEU B 85 6.337 8.497 4.734 1.00 0.00 H new ATOM 0 HA LEU B 85 7.003 5.942 6.072 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.498 7.546 3.971 1.00 0.00 H new ATOM 0 HB3 LEU B 85 8.901 5.939 4.542 1.00 0.00 H new ATOM 0 HG LEU B 85 6.370 6.668 3.029 1.00 0.00 H new ATOM 0 HD11 LEU B 85 7.397 5.429 1.169 1.00 0.00 H new ATOM 0 HD12 LEU B 85 8.368 6.847 1.633 1.00 0.00 H new ATOM 0 HD13 LEU B 85 8.878 5.217 2.134 1.00 0.00 H new ATOM 0 HD21 LEU B 85 6.051 4.234 2.851 1.00 0.00 H new ATOM 0 HD22 LEU B 85 7.483 3.975 3.875 1.00 0.00 H new ATOM 0 HD23 LEU B 85 6.044 4.778 4.546 1.00 0.00 H new ATOM 1380 N PRO B 86 9.027 6.829 7.394 1.00 0.00 N ATOM 1381 CA PRO B 86 9.996 7.404 8.321 1.00 0.00 C ATOM 1382 C PRO B 86 11.183 8.016 7.590 1.00 0.00 C ATOM 1383 O PRO B 86 11.706 7.441 6.634 1.00 0.00 O ATOM 1384 CB PRO B 86 10.444 6.218 9.168 1.00 0.00 C ATOM 1385 CG PRO B 86 10.200 5.021 8.316 1.00 0.00 C ATOM 1386 CD PRO B 86 9.030 5.356 7.429 1.00 0.00 C ATOM 0 HA PRO B 86 9.565 8.214 8.910 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.497 6.302 9.439 1.00 0.00 H new ATOM 0 HB3 PRO B 86 9.879 6.162 10.098 1.00 0.00 H new ATOM 0 HG2 PRO B 86 11.082 4.783 7.721 1.00 0.00 H new ATOM 0 HG3 PRO B 86 9.983 4.146 8.929 1.00 0.00 H new ATOM 0 HD2 PRO B 86 9.150 4.932 6.432 1.00 0.00 H new ATOM 0 HD3 PRO B 86 8.097 4.963 7.832 1.00 0.00 H new ATOM 1394 N ARG B 87 11.616 9.173 8.064 1.00 0.00 N ATOM 1395 CA ARG B 87 12.700 9.913 7.450 1.00 0.00 C ATOM 1396 C ARG B 87 14.053 9.281 7.743 1.00 0.00 C ATOM 1397 O ARG B 87 15.095 9.800 7.340 1.00 0.00 O ATOM 1398 CB ARG B 87 12.690 11.359 7.944 1.00 0.00 C ATOM 1399 CG ARG B 87 12.309 12.347 6.867 1.00 0.00 C ATOM 1400 CD ARG B 87 13.218 12.192 5.666 1.00 0.00 C ATOM 1401 NE ARG B 87 12.800 13.033 4.546 1.00 0.00 N ATOM 1402 CZ ARG B 87 13.309 12.955 3.319 1.00 0.00 C ATOM 1403 NH1 ARG B 87 14.297 12.109 3.055 1.00 0.00 N ATOM 1404 NH2 ARG B 87 12.823 13.729 2.353 1.00 0.00 N ATOM 0 H ARG B 87 11.222 9.625 8.889 1.00 0.00 H new ATOM 0 HA ARG B 87 12.546 9.890 6.371 1.00 0.00 H new ATOM 0 HB2 ARG B 87 11.991 11.448 8.775 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.678 11.613 8.329 1.00 0.00 H new ATOM 0 HG2 ARG B 87 11.272 12.189 6.570 1.00 0.00 H new ATOM 0 HG3 ARG B 87 12.378 13.363 7.255 1.00 0.00 H new ATOM 0 HD2 ARG B 87 14.239 12.448 5.949 1.00 0.00 H new ATOM 0 HD3 ARG B 87 13.227 11.148 5.351 1.00 0.00 H new ATOM 0 HE ARG B 87 12.070 13.725 4.716 1.00 0.00 H new ATOM 0 HH11 ARG B 87 14.670 11.514 3.795 1.00 0.00 H new ATOM 0 HH12 ARG B 87 14.683 12.054 2.112 1.00 0.00 H new ATOM 0 HH21 ARG B 87 12.063 14.379 2.554 1.00 0.00 H new ATOM 0 HH22 ARG B 87 13.210 13.673 1.411 1.00 0.00 H new ATOM 1418 N ASP B 88 14.030 8.169 8.448 1.00 0.00 N ATOM 1419 CA ASP B 88 15.251 7.452 8.786 1.00 0.00 C ATOM 1420 C ASP B 88 15.617 6.487 7.666 1.00 0.00 C ATOM 1421 O ASP B 88 16.761 6.044 7.548 1.00 0.00 O ATOM 1422 CB ASP B 88 15.073 6.690 10.103 1.00 0.00 C ATOM 1423 CG ASP B 88 16.359 6.043 10.583 1.00 0.00 C ATOM 1424 OD1 ASP B 88 17.235 6.769 11.099 1.00 0.00 O ATOM 1425 OD2 ASP B 88 16.491 4.807 10.464 1.00 0.00 O ATOM 0 H ASP B 88 13.176 7.737 8.802 1.00 0.00 H new ATOM 0 HA ASP B 88 16.059 8.174 8.908 1.00 0.00 H new ATOM 0 HB2 ASP B 88 14.708 7.375 10.868 1.00 0.00 H new ATOM 0 HB3 ASP B 88 14.311 5.922 9.973 1.00 0.00 H new ATOM 1430 N ILE B 89 14.639 6.186 6.827 1.00 0.00 N ATOM 1431 CA ILE B 89 14.818 5.224 5.757 1.00 0.00 C ATOM 1432 C ILE B 89 14.959 5.939 4.423 1.00 0.00 C ATOM 1433 O ILE B 89 14.200 6.862 4.119 1.00 0.00 O ATOM 1434 CB ILE B 89 13.632 4.239 5.692 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.483 3.507 7.028 1.00 0.00 C ATOM 1436 CG2 ILE B 89 13.816 3.242 4.554 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.309 2.559 7.068 1.00 0.00 C ATOM 0 H ILE B 89 13.707 6.599 6.869 1.00 0.00 H new ATOM 0 HA ILE B 89 15.728 4.660 5.964 1.00 0.00 H new ATOM 0 HB ILE B 89 12.722 4.807 5.499 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.397 2.949 7.231 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.374 4.242 7.826 1.00 0.00 H new ATOM 0 HG21 ILE B 89 12.967 2.558 4.529 1.00 0.00 H new ATOM 0 HG22 ILE B 89 13.879 3.778 3.607 1.00 0.00 H new ATOM 0 HG23 ILE B 89 14.734 2.675 4.711 1.00 0.00 H new ATOM 0 HD11 ILE B 89 12.265 2.075 8.044 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.387 3.114 6.896 1.00 0.00 H new ATOM 0 HD13 ILE B 89 12.426 1.802 6.293 1.00 0.00 H new ATOM 1449 N VAL B 90 15.939 5.521 3.642 1.00 0.00 N ATOM 1450 CA VAL B 90 16.153 6.084 2.321 1.00 0.00 C ATOM 1451 C VAL B 90 15.217 5.413 1.329 1.00 0.00 C ATOM 1452 O VAL B 90 15.362 4.229 1.029 1.00 0.00 O ATOM 1453 CB VAL B 90 17.610 5.909 1.850 1.00 0.00 C ATOM 1454 CG1 VAL B 90 17.819 6.569 0.493 1.00 0.00 C ATOM 1455 CG2 VAL B 90 18.573 6.474 2.880 1.00 0.00 C ATOM 0 H VAL B 90 16.602 4.790 3.901 1.00 0.00 H new ATOM 0 HA VAL B 90 15.946 7.153 2.376 1.00 0.00 H new ATOM 0 HB VAL B 90 17.812 4.843 1.742 1.00 0.00 H new ATOM 0 HG11 VAL B 90 18.854 6.434 0.178 1.00 0.00 H new ATOM 0 HG12 VAL B 90 17.154 6.112 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.599 7.634 0.568 1.00 0.00 H new ATOM 0 HG21 VAL B 90 19.597 6.342 2.531 1.00 0.00 H new ATOM 0 HG22 VAL B 90 18.372 7.536 3.022 1.00 0.00 H new ATOM 0 HG23 VAL B 90 18.442 5.950 3.827 1.00 0.00 H new ATOM 1465 N VAL B 91 14.255 6.164 0.829 1.00 0.00 N ATOM 1466 CA VAL B 91 13.210 5.586 0.007 1.00 0.00 C ATOM 1467 C VAL B 91 13.208 6.182 -1.389 1.00 0.00 C ATOM 1468 O VAL B 91 13.262 7.397 -1.565 1.00 0.00 O ATOM 1469 CB VAL B 91 11.821 5.782 0.648 1.00 0.00 C ATOM 1470 CG1 VAL B 91 10.749 5.097 -0.180 1.00 0.00 C ATOM 1471 CG2 VAL B 91 11.808 5.270 2.082 1.00 0.00 C ATOM 0 H VAL B 91 14.175 7.170 0.976 1.00 0.00 H new ATOM 0 HA VAL B 91 13.420 4.519 -0.066 1.00 0.00 H new ATOM 0 HB VAL B 91 11.604 6.850 0.671 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.776 5.247 0.289 1.00 0.00 H new ATOM 0 HG12 VAL B 91 10.738 5.522 -1.184 1.00 0.00 H new ATOM 0 HG13 VAL B 91 10.962 4.030 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.818 5.419 2.513 1.00 0.00 H new ATOM 0 HG22 VAL B 91 12.051 4.208 2.091 1.00 0.00 H new ATOM 0 HG23 VAL B 91 12.545 5.816 2.670 1.00 0.00 H new ATOM 1481 N ASN B 92 13.173 5.303 -2.373 1.00 0.00 N ATOM 1482 CA ASN B 92 13.062 5.687 -3.770 1.00 0.00 C ATOM 1483 C ASN B 92 12.163 4.704 -4.491 1.00 0.00 C ATOM 1484 O ASN B 92 11.934 3.600 -4.002 1.00 0.00 O ATOM 1485 CB ASN B 92 14.429 5.719 -4.451 1.00 0.00 C ATOM 1486 CG ASN B 92 15.494 4.960 -3.689 1.00 0.00 C ATOM 1487 OD1 ASN B 92 16.325 5.552 -2.999 1.00 0.00 O ATOM 1488 ND2 ASN B 92 15.447 3.643 -3.764 1.00 0.00 N ATOM 0 H ASN B 92 13.221 4.295 -2.225 1.00 0.00 H new ATOM 0 HA ASN B 92 12.637 6.690 -3.815 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.339 5.298 -5.452 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.745 6.756 -4.568 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.115 3.078 -3.239 1.00 0.00 H new ATOM 0 HD22 ASN B 92 14.743 3.190 -4.347 1.00 0.00 H new ATOM 1495 N ALA B 93 11.686 5.090 -5.668 1.00 0.00 N ATOM 1496 CA ALA B 93 10.757 4.265 -6.439 1.00 0.00 C ATOM 1497 C ALA B 93 11.389 2.942 -6.859 1.00 0.00 C ATOM 1498 O ALA B 93 10.691 1.984 -7.185 1.00 0.00 O ATOM 1499 CB ALA B 93 10.282 5.033 -7.658 1.00 0.00 C ATOM 0 H ALA B 93 11.928 5.975 -6.114 1.00 0.00 H new ATOM 0 HA ALA B 93 9.905 4.030 -5.801 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.590 4.415 -8.230 1.00 0.00 H new ATOM 0 HB2 ALA B 93 9.776 5.945 -7.339 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.138 5.292 -8.281 1.00 0.00 H new ATOM 1505 N ALA B 94 12.711 2.898 -6.831 1.00 0.00 N ATOM 1506 CA ALA B 94 13.450 1.695 -7.199 1.00 0.00 C ATOM 1507 C ALA B 94 13.540 0.730 -6.024 1.00 0.00 C ATOM 1508 O ALA B 94 13.901 -0.433 -6.184 1.00 0.00 O ATOM 1509 CB ALA B 94 14.843 2.066 -7.678 1.00 0.00 C ATOM 0 H ALA B 94 13.300 3.684 -6.556 1.00 0.00 H new ATOM 0 HA ALA B 94 12.914 1.198 -8.008 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.387 1.162 -7.950 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.767 2.719 -8.547 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.376 2.584 -6.881 1.00 0.00 H new ATOM 1515 N ASP B 95 13.205 1.226 -4.843 1.00 0.00 N ATOM 1516 CA ASP B 95 13.302 0.440 -3.618 1.00 0.00 C ATOM 1517 C ASP B 95 11.908 0.091 -3.115 1.00 0.00 C ATOM 1518 O ASP B 95 11.717 -0.853 -2.352 1.00 0.00 O ATOM 1519 CB ASP B 95 14.065 1.242 -2.565 1.00 0.00 C ATOM 1520 CG ASP B 95 14.511 0.418 -1.379 1.00 0.00 C ATOM 1521 OD1 ASP B 95 14.994 -0.716 -1.582 1.00 0.00 O ATOM 1522 OD2 ASP B 95 14.424 0.922 -0.243 1.00 0.00 O ATOM 0 H ASP B 95 12.861 2.176 -4.704 1.00 0.00 H new ATOM 0 HA ASP B 95 13.838 -0.488 -3.818 1.00 0.00 H new ATOM 0 HB2 ASP B 95 14.940 1.696 -3.030 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.432 2.057 -2.213 1.00 0.00 H new ATOM 1527 N ILE B 96 10.940 0.870 -3.570 1.00 0.00 N ATOM 1528 CA ILE B 96 9.545 0.674 -3.220 1.00 0.00 C ATOM 1529 C ILE B 96 8.950 -0.492 -4.001 1.00 0.00 C ATOM 1530 O ILE B 96 8.875 -0.458 -5.230 1.00 0.00 O ATOM 1531 CB ILE B 96 8.749 1.957 -3.516 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.207 3.078 -2.595 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.252 1.726 -3.367 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.769 4.441 -3.064 1.00 0.00 C ATOM 0 H ILE B 96 11.102 1.659 -4.195 1.00 0.00 H new ATOM 0 HA ILE B 96 9.485 0.445 -2.156 1.00 0.00 H new ATOM 0 HB ILE B 96 8.940 2.244 -4.550 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.815 2.901 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.294 3.058 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.718 2.651 -3.583 1.00 0.00 H new ATOM 0 HG22 ILE B 96 6.932 0.951 -4.064 1.00 0.00 H new ATOM 0 HG23 ILE B 96 7.032 1.410 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE B 96 9.126 5.198 -2.366 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.183 4.636 -4.053 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.681 4.477 -3.113 1.00 0.00 H new ATOM 1546 N LYS B 97 8.551 -1.525 -3.282 1.00 0.00 N ATOM 1547 CA LYS B 97 7.970 -2.707 -3.893 1.00 0.00 C ATOM 1548 C LYS B 97 6.483 -2.788 -3.575 1.00 0.00 C ATOM 1549 O LYS B 97 6.097 -3.127 -2.456 1.00 0.00 O ATOM 1550 CB LYS B 97 8.680 -3.963 -3.387 1.00 0.00 C ATOM 1551 CG LYS B 97 10.201 -3.875 -3.439 1.00 0.00 C ATOM 1552 CD LYS B 97 10.705 -3.558 -4.841 1.00 0.00 C ATOM 1553 CE LYS B 97 10.314 -4.641 -5.836 1.00 0.00 C ATOM 1554 NZ LYS B 97 10.790 -4.340 -7.210 1.00 0.00 N ATOM 0 H LYS B 97 8.620 -1.569 -2.265 1.00 0.00 H new ATOM 0 HA LYS B 97 8.096 -2.639 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.372 -4.154 -2.359 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.355 -4.817 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.544 -3.105 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.631 -4.819 -3.104 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.298 -2.600 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.790 -3.454 -4.823 1.00 0.00 H new ATOM 0 HE2 LYS B 97 10.727 -5.596 -5.512 1.00 0.00 H new ATOM 0 HE3 LYS B 97 9.229 -4.749 -5.845 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 10.501 -5.105 -7.853 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 10.376 -3.442 -7.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 11.827 -4.262 -7.209 1.00 0.00 H new ATOM 1568 N ILE B 98 5.655 -2.457 -4.554 1.00 0.00 N ATOM 1569 CA ILE B 98 4.211 -2.480 -4.380 1.00 0.00 C ATOM 1570 C ILE B 98 3.586 -3.651 -5.141 1.00 0.00 C ATOM 1571 O ILE B 98 3.732 -3.767 -6.363 1.00 0.00 O ATOM 1572 CB ILE B 98 3.582 -1.151 -4.852 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.193 0.019 -4.079 1.00 0.00 C ATOM 1574 CG2 ILE B 98 2.075 -1.175 -4.673 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.589 1.363 -4.421 1.00 0.00 C ATOM 0 H ILE B 98 5.961 -2.168 -5.483 1.00 0.00 H new ATOM 0 HA ILE B 98 4.007 -2.608 -3.317 1.00 0.00 H new ATOM 0 HB ILE B 98 3.795 -1.024 -5.913 1.00 0.00 H new ATOM 0 HG12 ILE B 98 4.072 -0.161 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.264 0.052 -4.277 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.653 -0.229 -5.012 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.652 -1.991 -5.259 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.836 -1.322 -3.620 1.00 0.00 H new ATOM 0 HD11 ILE B 98 4.075 2.141 -3.832 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.734 1.568 -5.482 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.523 1.350 -4.196 1.00 0.00 H new ATOM 1587 N PHE B 99 2.894 -4.515 -4.408 1.00 0.00 N ATOM 1588 CA PHE B 99 2.258 -5.694 -4.981 1.00 0.00 C ATOM 1589 C PHE B 99 0.809 -5.787 -4.522 1.00 0.00 C ATOM 1590 O PHE B 99 0.531 -5.859 -3.329 1.00 0.00 O ATOM 1591 CB PHE B 99 2.994 -6.968 -4.560 1.00 0.00 C ATOM 1592 CG PHE B 99 4.374 -7.115 -5.134 1.00 0.00 C ATOM 1593 CD1 PHE B 99 4.559 -7.695 -6.378 1.00 0.00 C ATOM 1594 CD2 PHE B 99 5.483 -6.685 -4.429 1.00 0.00 C ATOM 1595 CE1 PHE B 99 5.825 -7.843 -6.908 1.00 0.00 C ATOM 1596 CE2 PHE B 99 6.752 -6.830 -4.953 1.00 0.00 C ATOM 1597 CZ PHE B 99 6.923 -7.409 -6.194 1.00 0.00 C ATOM 0 H PHE B 99 2.758 -4.418 -3.402 1.00 0.00 H new ATOM 0 HA PHE B 99 2.296 -5.600 -6.066 1.00 0.00 H new ATOM 0 HB2 PHE B 99 3.064 -6.988 -3.472 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.398 -7.831 -4.857 1.00 0.00 H new ATOM 0 HD1 PHE B 99 3.702 -8.036 -6.940 1.00 0.00 H new ATOM 0 HD2 PHE B 99 5.355 -6.231 -3.458 1.00 0.00 H new ATOM 0 HE1 PHE B 99 5.956 -8.297 -7.879 1.00 0.00 H new ATOM 0 HE2 PHE B 99 7.610 -6.491 -4.392 1.00 0.00 H new ATOM 0 HZ PHE B 99 7.915 -7.522 -6.606 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.112 -5.791 -5.465 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.525 -5.888 -5.130 1.00 0.00 C ATOM 1609 C HIS B 100 -2.049 -7.283 -5.423 1.00 0.00 C ATOM 1610 O HIS B 100 -2.089 -7.714 -6.575 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.349 -4.849 -5.902 1.00 0.00 C ATOM 1612 CG HIS B 100 -3.828 -4.947 -5.661 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -4.738 -5.270 -6.647 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.553 -4.759 -4.533 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -5.954 -5.272 -6.134 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -5.870 -4.968 -4.855 1.00 0.00 N ATOM 0 H HIS B 100 0.087 -5.729 -6.463 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.627 -5.687 -4.064 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.010 -3.851 -5.624 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.156 -4.965 -6.968 1.00 0.00 H new ATOM 0 HD1 HIS B 100 -4.507 -5.475 -7.619 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.166 -4.494 -3.560 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -6.865 -5.487 -6.673 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.442 -7.987 -4.378 1.00 0.00 N ATOM 1626 CA ILE B 101 -3.098 -9.268 -4.542 1.00 0.00 C ATOM 1627 C ILE B 101 -4.600 -9.054 -4.611 1.00 0.00 C ATOM 1628 O ILE B 101 -5.258 -8.852 -3.590 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.762 -10.243 -3.397 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -1.252 -10.469 -3.323 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.488 -11.569 -3.591 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.848 -11.427 -2.229 1.00 0.00 C ATOM 0 H ILE B 101 -2.318 -7.693 -3.409 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.735 -9.716 -5.467 1.00 0.00 H new ATOM 0 HB ILE B 101 -3.097 -9.803 -2.458 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -0.901 -10.853 -4.281 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -0.755 -9.512 -3.161 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -3.238 -12.244 -2.772 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.564 -11.396 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -3.182 -12.016 -4.537 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.236 -11.544 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -1.170 -11.034 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -1.318 -12.395 -2.402 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.132 -9.074 -5.823 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.551 -8.833 -6.045 1.00 0.00 C ATOM 1646 C ARG B 102 -7.394 -9.987 -5.516 1.00 0.00 C ATOM 1647 O ARG B 102 -8.564 -9.805 -5.183 1.00 0.00 O ATOM 1648 CB ARG B 102 -6.833 -8.601 -7.529 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.255 -9.667 -8.437 1.00 0.00 C ATOM 1650 CD ARG B 102 -6.770 -9.518 -9.854 1.00 0.00 C ATOM 1651 NE ARG B 102 -6.342 -8.271 -10.487 1.00 0.00 N ATOM 1652 CZ ARG B 102 -6.790 -7.856 -11.673 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -7.691 -8.576 -12.333 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -6.343 -6.723 -12.198 1.00 0.00 N ATOM 0 H ARG B 102 -4.599 -9.256 -6.674 1.00 0.00 H new ATOM 0 HA ARG B 102 -6.827 -7.933 -5.495 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -7.911 -8.554 -7.681 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -6.427 -7.632 -7.819 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -5.167 -9.600 -8.434 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -6.515 -10.654 -8.055 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -6.423 -10.361 -10.452 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -7.859 -9.560 -9.846 1.00 0.00 H new ATOM 0 HE ARG B 102 -5.665 -7.688 -9.995 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -8.041 -9.447 -11.933 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -8.033 -8.258 -13.240 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -5.654 -6.165 -11.695 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -6.689 -6.410 -13.105 1.00 0.00 H new ATOM 1668 N LYS B 103 -6.788 -11.166 -5.428 1.00 0.00 N ATOM 1669 CA LYS B 103 -7.455 -12.341 -4.879 1.00 0.00 C ATOM 1670 C LYS B 103 -7.896 -12.082 -3.441 1.00 0.00 C ATOM 1671 O LYS B 103 -9.041 -12.331 -3.069 1.00 0.00 O ATOM 1672 CB LYS B 103 -6.501 -13.538 -4.906 1.00 0.00 C ATOM 1673 CG LYS B 103 -7.131 -14.840 -4.431 1.00 0.00 C ATOM 1674 CD LYS B 103 -6.077 -15.865 -4.033 1.00 0.00 C ATOM 1675 CE LYS B 103 -5.080 -16.124 -5.153 1.00 0.00 C ATOM 1676 NZ LYS B 103 -5.724 -16.722 -6.353 1.00 0.00 N ATOM 0 H LYS B 103 -5.829 -11.334 -5.732 1.00 0.00 H new ATOM 0 HA LYS B 103 -8.334 -12.556 -5.487 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -6.133 -13.674 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -5.636 -13.315 -4.281 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -7.783 -14.640 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -7.757 -15.251 -5.223 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -5.545 -15.513 -3.149 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -6.566 -16.800 -3.760 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -4.597 -15.187 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -4.297 -16.791 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -5.101 -16.602 -7.177 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -5.890 -17.735 -6.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -6.631 -16.247 -6.533 1.00 0.00 H new ATOM 1690 N GLU B 104 -6.978 -11.551 -2.650 1.00 0.00 N ATOM 1691 CA GLU B 104 -7.213 -11.336 -1.232 1.00 0.00 C ATOM 1692 C GLU B 104 -7.553 -9.879 -0.955 1.00 0.00 C ATOM 1693 O GLU B 104 -7.763 -9.485 0.194 1.00 0.00 O ATOM 1694 CB GLU B 104 -5.970 -11.739 -0.442 1.00 0.00 C ATOM 1695 CG GLU B 104 -5.561 -13.184 -0.663 1.00 0.00 C ATOM 1696 CD GLU B 104 -6.543 -14.160 -0.058 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -6.404 -14.474 1.140 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -7.458 -14.619 -0.773 1.00 0.00 O ATOM 0 H GLU B 104 -6.055 -11.259 -2.970 1.00 0.00 H new ATOM 0 HA GLU B 104 -8.059 -11.949 -0.921 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -5.142 -11.087 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -6.155 -11.579 0.620 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -5.476 -13.375 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -4.575 -13.350 -0.230 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.591 -9.086 -2.028 1.00 0.00 N ATOM 1706 CA ARG B 105 -7.879 -7.657 -1.939 1.00 0.00 C ATOM 1707 C ARG B 105 -6.887 -6.965 -1.010 1.00 0.00 C ATOM 1708 O ARG B 105 -7.229 -6.001 -0.328 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.314 -7.439 -1.452 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.361 -7.963 -2.420 1.00 0.00 C ATOM 1711 CD ARG B 105 -11.727 -8.088 -1.764 1.00 0.00 C ATOM 1712 NE ARG B 105 -12.214 -6.819 -1.222 1.00 0.00 N ATOM 1713 CZ ARG B 105 -13.023 -5.990 -1.882 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -13.335 -6.228 -3.150 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -13.511 -4.917 -1.274 1.00 0.00 N ATOM 0 H ARG B 105 -7.423 -9.417 -2.978 1.00 0.00 H new ATOM 0 HA ARG B 105 -7.776 -7.219 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.442 -7.930 -0.488 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.478 -6.374 -1.291 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -10.430 -7.294 -3.278 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -10.050 -8.936 -2.799 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -12.443 -8.464 -2.495 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -11.674 -8.824 -0.962 1.00 0.00 H new ATOM 0 HE ARG B 105 -11.917 -6.553 -0.283 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -12.955 -7.048 -3.623 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -13.954 -5.591 -3.651 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -13.267 -4.726 -0.302 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -14.130 -4.282 -1.778 1.00 0.00 H new ATOM 1729 N THR B 106 -5.651 -7.456 -0.999 1.00 0.00 N ATOM 1730 CA THR B 106 -4.652 -6.961 -0.074 1.00 0.00 C ATOM 1731 C THR B 106 -3.465 -6.376 -0.830 1.00 0.00 C ATOM 1732 O THR B 106 -2.935 -6.999 -1.753 1.00 0.00 O ATOM 1733 CB THR B 106 -4.171 -8.087 0.865 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.294 -8.685 1.531 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.201 -7.552 1.902 1.00 0.00 C ATOM 0 H THR B 106 -5.323 -8.195 -1.621 1.00 0.00 H new ATOM 0 HA THR B 106 -5.110 -6.175 0.527 1.00 0.00 H new ATOM 0 HB THR B 106 -3.660 -8.836 0.259 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.935 -9.009 0.864 1.00 0.00 H new ATOM 0 HG21 THR B 106 -2.877 -8.366 2.551 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.334 -7.120 1.401 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.694 -6.785 2.500 1.00 0.00 H new ATOM 1743 N LEU B 107 -3.072 -5.169 -0.457 1.00 0.00 N ATOM 1744 CA LEU B 107 -1.940 -4.510 -1.083 1.00 0.00 C ATOM 1745 C LEU B 107 -0.713 -4.604 -0.177 1.00 0.00 C ATOM 1746 O LEU B 107 -0.743 -4.159 0.971 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.277 -3.040 -1.361 1.00 0.00 C ATOM 1748 CG LEU B 107 -1.744 -2.472 -2.679 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -2.024 -0.983 -2.764 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -0.259 -2.732 -2.826 1.00 0.00 C ATOM 0 H LEU B 107 -3.523 -4.625 0.279 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.720 -5.007 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.361 -2.927 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -1.886 -2.436 -0.542 1.00 0.00 H new ATOM 0 HG LEU B 107 -2.260 -2.978 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU B 107 -1.639 -0.594 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -3.099 -0.811 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -1.535 -0.473 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU B 107 0.091 -2.317 -3.771 1.00 0.00 H new ATOM 0 HD22 LEU B 107 0.276 -2.260 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -0.074 -3.806 -2.810 1.00 0.00 H new ATOM 1762 N TYR B 108 0.350 -5.203 -0.695 1.00 0.00 N ATOM 1763 CA TYR B 108 1.599 -5.341 0.042 1.00 0.00 C ATOM 1764 C TYR B 108 2.601 -4.270 -0.369 1.00 0.00 C ATOM 1765 O TYR B 108 2.888 -4.093 -1.555 1.00 0.00 O ATOM 1766 CB TYR B 108 2.208 -6.722 -0.200 1.00 0.00 C ATOM 1767 CG TYR B 108 1.371 -7.859 0.333 1.00 0.00 C ATOM 1768 CD1 TYR B 108 0.153 -8.179 -0.246 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.800 -8.610 1.417 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.616 -9.212 0.239 1.00 0.00 C ATOM 1771 CE2 TYR B 108 1.036 -9.648 1.909 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.172 -9.946 1.317 1.00 0.00 C ATOM 1773 OH TYR B 108 -0.939 -10.979 1.805 1.00 0.00 O ATOM 0 H TYR B 108 0.372 -5.605 -1.632 1.00 0.00 H new ATOM 0 HA TYR B 108 1.373 -5.221 1.102 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.354 -6.862 -1.271 1.00 0.00 H new ATOM 0 HB3 TYR B 108 3.194 -6.760 0.264 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.199 -7.608 -1.092 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.746 -8.379 1.883 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.563 -9.446 -0.223 1.00 0.00 H new ATOM 0 HE2 TYR B 108 1.383 -10.224 2.754 1.00 0.00 H new ATOM 0 HH TYR B 108 -1.761 -11.054 1.276 1.00 0.00 H new ATOM 1783 N ILE B 109 3.115 -3.556 0.619 1.00 0.00 N ATOM 1784 CA ILE B 109 4.148 -2.557 0.398 1.00 0.00 C ATOM 1785 C ILE B 109 5.436 -2.978 1.099 1.00 0.00 C ATOM 1786 O ILE B 109 5.442 -3.193 2.312 1.00 0.00 O ATOM 1787 CB ILE B 109 3.725 -1.176 0.949 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.345 -0.772 0.420 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.761 -0.115 0.601 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.295 -0.591 -1.080 1.00 0.00 C ATOM 0 H ILE B 109 2.829 -3.652 1.593 1.00 0.00 H new ATOM 0 HA ILE B 109 4.304 -2.480 -0.678 1.00 0.00 H new ATOM 0 HB ILE B 109 3.663 -1.254 2.034 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.619 -1.532 0.709 1.00 0.00 H new ATOM 0 HG13 ILE B 109 2.041 0.159 0.899 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.443 0.849 0.999 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.722 -0.388 1.037 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.861 -0.045 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.286 -0.306 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE B 109 2.996 0.190 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.567 -1.527 -1.569 1.00 0.00 H new ATOM 1802 N TYR B 110 6.512 -3.120 0.342 1.00 0.00 N ATOM 1803 CA TYR B 110 7.812 -3.427 0.919 1.00 0.00 C ATOM 1804 C TYR B 110 8.815 -2.353 0.526 1.00 0.00 C ATOM 1805 O TYR B 110 8.997 -2.073 -0.656 1.00 0.00 O ATOM 1806 CB TYR B 110 8.318 -4.790 0.447 1.00 0.00 C ATOM 1807 CG TYR B 110 7.414 -5.957 0.784 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.367 -6.319 -0.056 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.625 -6.714 1.930 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.556 -7.398 0.239 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.821 -7.797 2.228 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.788 -8.134 1.381 1.00 0.00 C ATOM 1813 OH TYR B 110 4.988 -9.215 1.674 1.00 0.00 O ATOM 0 H TYR B 110 6.512 -3.028 -0.674 1.00 0.00 H new ATOM 0 HA TYR B 110 7.703 -3.456 2.003 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.455 -4.756 -0.634 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.299 -4.970 0.888 1.00 0.00 H new ATOM 0 HD1 TYR B 110 6.185 -5.747 -0.954 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.431 -6.451 2.599 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.744 -7.663 -0.422 1.00 0.00 H new ATOM 0 HE2 TYR B 110 7.001 -8.377 3.121 1.00 0.00 H new ATOM 0 HH TYR B 110 5.011 -9.387 2.638 1.00 0.00 H new ATOM 1823 N ILE B 111 9.446 -1.743 1.512 1.00 0.00 N ATOM 1824 CA ILE B 111 10.428 -0.701 1.261 1.00 0.00 C ATOM 1825 C ILE B 111 11.681 -0.962 2.082 1.00 0.00 C ATOM 1826 O ILE B 111 11.688 -0.632 3.282 1.00 0.00 O ATOM 1827 CB ILE B 111 9.874 0.705 1.588 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.582 0.964 0.804 1.00 0.00 C ATOM 1829 CG2 ILE B 111 10.914 1.775 1.269 1.00 0.00 C ATOM 1830 CD1 ILE B 111 7.918 2.282 1.135 1.00 0.00 C ATOM 1831 OXT ILE B 111 12.647 -1.531 1.535 1.00 0.00 O ATOM 0 H ILE B 111 9.296 -1.951 2.499 1.00 0.00 H new ATOM 0 HA ILE B 111 10.669 -0.725 0.198 1.00 0.00 H new ATOM 0 HB ILE B 111 9.648 0.750 2.653 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.805 0.938 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE B 111 7.880 0.155 1.003 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.508 2.759 1.505 1.00 0.00 H new ATOM 0 HG22 ILE B 111 11.810 1.600 1.864 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.168 1.732 0.210 1.00 0.00 H new ATOM 0 HD11 ILE B 111 7.011 2.392 0.540 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.662 2.305 2.194 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.601 3.101 0.909 1.00 0.00 H new