USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 383 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 117 THR OG1 : rot 180:sc= -0.79 USER MOD Set 1.2: A 121 ASN : amide:sc= -2.01 X(o=-2.8,f=-2.9!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -142:sc= 1.22 (180deg=1.12) USER MOD Single : A 78 LYS NZ :NH3+ 151:sc= 1.26 (180deg=1.13) USER MOD Single : A 79 CYS SG : rot -16:sc= -0.283 USER MOD Single : A 80 MET CE :methyl 151:sc= -0.265 (180deg=-1.18) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.11) USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0952 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.11 K(o=1.1,f=-0.047) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 107 THR OG1 : rot 180:sc=-0.00929 USER MOD Single : A 111 TYR OH : rot -127:sc= 0.399 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 123 LYS NZ :NH3+ -160:sc= 1.08 (180deg=0.774) USER MOD ----------------------------------------------------------------- ATOM 100 N SER A 72 9.800 6.493 -1.776 1.00 0.00 N ATOM 101 CA SER A 72 10.112 6.572 -0.387 1.00 0.00 C ATOM 102 C SER A 72 8.818 6.718 0.418 1.00 0.00 C ATOM 103 O SER A 72 8.120 7.743 0.348 1.00 0.00 O ATOM 104 CB SER A 72 11.087 7.724 -0.109 1.00 0.00 C ATOM 105 OG SER A 72 11.602 7.659 1.217 1.00 0.00 O ATOM 0 HA SER A 72 10.610 5.653 -0.077 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.910 7.687 -0.823 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.579 8.677 -0.258 1.00 0.00 H new ATOM 0 HG SER A 72 12.221 8.404 1.364 1.00 0.00 H new ATOM 111 N TRP A 73 8.485 5.678 1.131 1.00 0.00 N ATOM 112 CA TRP A 73 7.292 5.627 1.943 1.00 0.00 C ATOM 113 C TRP A 73 7.652 5.597 3.409 1.00 0.00 C ATOM 114 O TRP A 73 8.764 5.189 3.765 1.00 0.00 O ATOM 115 CB TRP A 73 6.444 4.407 1.593 1.00 0.00 C ATOM 116 CG TRP A 73 5.792 4.485 0.253 1.00 0.00 C ATOM 117 CD1 TRP A 73 6.126 3.798 -0.875 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.691 5.322 -0.097 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.279 4.147 -1.900 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.396 5.084 -1.445 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.921 6.247 0.609 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.366 5.737 -2.104 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.902 6.894 -0.046 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.635 6.635 -1.390 1.00 0.00 C ATOM 0 H TRP A 73 9.042 4.825 1.167 1.00 0.00 H new ATOM 0 HA TRP A 73 6.709 6.525 1.738 1.00 0.00 H new ATOM 0 HB2 TRP A 73 7.073 3.518 1.628 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.673 4.283 2.354 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.935 3.086 -0.952 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.306 3.768 -2.846 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.122 6.450 1.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.152 5.540 -3.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.299 7.614 0.487 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.827 7.161 -1.877 1.00 0.00 H new ATOM 135 N LYS A 74 6.772 6.101 4.251 1.00 0.00 N ATOM 136 CA LYS A 74 6.980 6.020 5.679 1.00 0.00 C ATOM 137 C LYS A 74 5.711 5.496 6.356 1.00 0.00 C ATOM 138 O LYS A 74 4.629 5.510 5.766 1.00 0.00 O ATOM 139 CB LYS A 74 7.365 7.354 6.286 1.00 0.00 C ATOM 140 CG LYS A 74 6.252 8.348 6.279 1.00 0.00 C ATOM 141 CD LYS A 74 6.582 9.522 7.129 1.00 0.00 C ATOM 142 CE LYS A 74 5.388 10.406 7.266 1.00 0.00 C ATOM 143 NZ LYS A 74 5.013 11.062 5.988 1.00 0.00 N ATOM 0 H LYS A 74 5.910 6.569 3.971 1.00 0.00 H new ATOM 0 HA LYS A 74 7.810 5.334 5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.696 7.196 7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.213 7.764 5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.059 8.676 5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.337 7.878 6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.912 9.188 8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.409 10.079 6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.545 9.818 7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.591 11.170 8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.697 12.035 6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.837 11.083 5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.242 10.529 5.537 1.00 0.00 H new ATOM 157 N VAL A 75 5.869 5.011 7.561 1.00 0.00 N ATOM 158 CA VAL A 75 4.772 4.448 8.343 1.00 0.00 C ATOM 159 C VAL A 75 3.746 5.536 8.706 1.00 0.00 C ATOM 160 O VAL A 75 4.131 6.668 9.029 1.00 0.00 O ATOM 161 CB VAL A 75 5.296 3.695 9.613 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.153 3.137 10.455 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.247 2.562 9.211 1.00 0.00 C ATOM 0 H VAL A 75 6.768 4.991 8.042 1.00 0.00 H new ATOM 0 HA VAL A 75 4.265 3.707 7.725 1.00 0.00 H new ATOM 0 HB VAL A 75 5.836 4.422 10.220 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.560 2.623 11.326 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.511 3.954 10.784 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.571 2.435 9.858 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.601 2.050 10.106 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.720 1.854 8.572 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.097 2.976 8.669 1.00 0.00 H new ATOM 173 N GLY A 76 2.467 5.202 8.631 1.00 0.00 N ATOM 174 CA GLY A 76 1.427 6.138 8.976 1.00 0.00 C ATOM 175 C GLY A 76 1.211 7.151 7.887 1.00 0.00 C ATOM 176 O GLY A 76 0.892 8.313 8.154 1.00 0.00 O ATOM 0 H GLY A 76 2.131 4.286 8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.498 5.599 9.161 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.689 6.649 9.902 1.00 0.00 H new ATOM 180 N ASP A 77 1.405 6.733 6.663 1.00 0.00 N ATOM 181 CA ASP A 77 1.231 7.626 5.539 1.00 0.00 C ATOM 182 C ASP A 77 0.011 7.197 4.773 1.00 0.00 C ATOM 183 O ASP A 77 -0.404 6.031 4.861 1.00 0.00 O ATOM 184 CB ASP A 77 2.414 7.559 4.588 1.00 0.00 C ATOM 185 CG ASP A 77 2.776 8.905 3.978 1.00 0.00 C ATOM 186 OD1 ASP A 77 1.976 9.471 3.212 1.00 0.00 O ATOM 187 OD2 ASP A 77 3.861 9.432 4.285 1.00 0.00 O ATOM 0 H ASP A 77 1.683 5.783 6.416 1.00 0.00 H new ATOM 0 HA ASP A 77 1.137 8.642 5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.279 7.166 5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.188 6.855 3.787 1.00 0.00 H new ATOM 192 N LYS A 78 -0.528 8.088 4.013 1.00 0.00 N ATOM 193 CA LYS A 78 -1.654 7.805 3.183 1.00 0.00 C ATOM 194 C LYS A 78 -1.145 7.467 1.828 1.00 0.00 C ATOM 195 O LYS A 78 -0.322 8.187 1.276 1.00 0.00 O ATOM 196 CB LYS A 78 -2.560 9.017 3.052 1.00 0.00 C ATOM 197 CG LYS A 78 -3.419 9.357 4.247 1.00 0.00 C ATOM 198 CD LYS A 78 -4.782 8.640 4.231 1.00 0.00 C ATOM 199 CE LYS A 78 -4.730 7.184 4.653 1.00 0.00 C ATOM 200 NZ LYS A 78 -6.097 6.660 4.899 1.00 0.00 N ATOM 0 H LYS A 78 -0.195 9.050 3.948 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.223 6.987 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.938 9.883 2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.216 8.860 2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.885 9.090 5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.582 10.434 4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.467 9.173 4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.198 8.699 3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.243 6.593 3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.128 7.083 5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.118 5.639 4.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.360 6.827 5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.773 7.146 4.276 1.00 0.00 H new ATOM 214 N CYS A 79 -1.607 6.418 1.298 1.00 0.00 N ATOM 215 CA CYS A 79 -1.224 6.030 -0.008 1.00 0.00 C ATOM 216 C CYS A 79 -2.407 5.403 -0.673 1.00 0.00 C ATOM 217 O CYS A 79 -3.463 5.245 -0.047 1.00 0.00 O ATOM 218 CB CYS A 79 -0.066 5.040 0.073 1.00 0.00 C ATOM 219 SG CYS A 79 -0.411 3.607 1.128 1.00 0.00 S ATOM 0 H CYS A 79 -2.269 5.789 1.752 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.895 6.894 -0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.175 4.692 -0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.816 5.556 0.452 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.444 3.858 1.877 1.00 0.00 H new ATOM 225 N MET A 80 -2.280 5.097 -1.909 1.00 0.00 N ATOM 226 CA MET A 80 -3.295 4.387 -2.584 1.00 0.00 C ATOM 227 C MET A 80 -2.706 3.099 -3.008 1.00 0.00 C ATOM 228 O MET A 80 -1.631 3.074 -3.582 1.00 0.00 O ATOM 229 CB MET A 80 -3.848 5.149 -3.782 1.00 0.00 C ATOM 230 CG MET A 80 -4.365 6.531 -3.441 1.00 0.00 C ATOM 231 SD MET A 80 -5.478 7.180 -4.686 1.00 0.00 S ATOM 232 CE MET A 80 -6.850 6.040 -4.455 1.00 0.00 C ATOM 0 H MET A 80 -1.469 5.332 -2.481 1.00 0.00 H new ATOM 0 HA MET A 80 -4.143 4.238 -1.916 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.066 5.240 -4.536 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.656 4.569 -4.229 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.881 6.495 -2.482 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.521 7.211 -3.324 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.784 6.536 -4.721 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.709 5.167 -5.092 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.890 5.726 -3.412 1.00 0.00 H new ATOM 242 N ALA A 81 -3.371 2.054 -2.729 1.00 0.00 N ATOM 243 CA ALA A 81 -2.859 0.766 -3.015 1.00 0.00 C ATOM 244 C ALA A 81 -3.761 0.070 -3.962 1.00 0.00 C ATOM 245 O ALA A 81 -4.966 0.337 -3.995 1.00 0.00 O ATOM 246 CB ALA A 81 -2.706 -0.040 -1.740 1.00 0.00 C ATOM 0 H ALA A 81 -4.293 2.059 -2.293 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.875 0.869 -3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.311 -1.027 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.019 0.472 -1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.678 -0.145 -1.257 1.00 0.00 H new ATOM 252 N VAL A 82 -3.196 -0.771 -4.746 1.00 0.00 N ATOM 253 CA VAL A 82 -3.943 -1.568 -5.656 1.00 0.00 C ATOM 254 C VAL A 82 -4.368 -2.814 -4.931 1.00 0.00 C ATOM 255 O VAL A 82 -3.523 -3.606 -4.514 1.00 0.00 O ATOM 256 CB VAL A 82 -3.120 -1.913 -6.928 1.00 0.00 C ATOM 257 CG1 VAL A 82 -3.870 -2.892 -7.819 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.824 -0.643 -7.709 1.00 0.00 C ATOM 0 H VAL A 82 -2.189 -0.930 -4.777 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.816 -1.013 -6.000 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.187 -2.380 -6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.270 -3.115 -8.701 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.061 -3.813 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.818 -2.451 -8.127 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.247 -0.890 -8.600 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.761 -0.170 -8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.252 0.043 -7.085 1.00 0.00 H new ATOM 268 N TRP A 83 -5.662 -2.946 -4.730 1.00 0.00 N ATOM 269 CA TRP A 83 -6.225 -4.072 -4.033 1.00 0.00 C ATOM 270 C TRP A 83 -5.924 -5.293 -4.838 1.00 0.00 C ATOM 271 O TRP A 83 -6.345 -5.384 -5.971 1.00 0.00 O ATOM 272 CB TRP A 83 -7.740 -3.897 -3.912 1.00 0.00 C ATOM 273 CG TRP A 83 -8.410 -4.878 -3.003 1.00 0.00 C ATOM 274 CD1 TRP A 83 -7.839 -5.521 -1.959 1.00 0.00 C ATOM 275 CD2 TRP A 83 -9.785 -5.290 -3.023 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.752 -6.314 -1.339 1.00 0.00 N ATOM 277 CE2 TRP A 83 -9.961 -6.180 -1.958 1.00 0.00 C ATOM 278 CE3 TRP A 83 -10.882 -4.996 -3.832 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.179 -6.774 -1.676 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.095 -5.590 -3.551 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.231 -6.468 -2.480 1.00 0.00 C ATOM 0 H TRP A 83 -6.354 -2.268 -5.050 1.00 0.00 H new ATOM 0 HA TRP A 83 -5.803 -4.156 -3.031 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -7.949 -2.889 -3.554 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.183 -3.981 -4.905 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.806 -5.419 -1.661 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.563 -6.915 -0.537 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -10.784 -4.315 -4.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.289 -7.457 -0.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -12.951 -5.370 -4.171 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.194 -6.916 -2.283 1.00 0.00 H new ATOM 292 N SER A 84 -5.225 -6.230 -4.261 1.00 0.00 N ATOM 293 CA SER A 84 -4.772 -7.396 -4.994 1.00 0.00 C ATOM 294 C SER A 84 -5.957 -8.274 -5.414 1.00 0.00 C ATOM 295 O SER A 84 -5.842 -9.117 -6.297 1.00 0.00 O ATOM 296 CB SER A 84 -3.760 -8.198 -4.156 1.00 0.00 C ATOM 297 OG SER A 84 -3.089 -9.175 -4.946 1.00 0.00 O ATOM 0 H SER A 84 -4.951 -6.215 -3.279 1.00 0.00 H new ATOM 0 HA SER A 84 -4.272 -7.058 -5.901 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.029 -7.519 -3.717 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.276 -8.688 -3.330 1.00 0.00 H new ATOM 0 HG SER A 84 -2.452 -9.667 -4.387 1.00 0.00 H new ATOM 303 N GLU A 85 -7.100 -8.060 -4.796 1.00 0.00 N ATOM 304 CA GLU A 85 -8.259 -8.858 -5.088 1.00 0.00 C ATOM 305 C GLU A 85 -9.050 -8.343 -6.295 1.00 0.00 C ATOM 306 O GLU A 85 -9.467 -9.130 -7.141 1.00 0.00 O ATOM 307 CB GLU A 85 -9.125 -8.979 -3.857 1.00 0.00 C ATOM 308 CG GLU A 85 -8.378 -9.625 -2.701 1.00 0.00 C ATOM 309 CD GLU A 85 -9.246 -9.965 -1.510 1.00 0.00 C ATOM 310 OE1 GLU A 85 -9.959 -10.991 -1.567 1.00 0.00 O ATOM 311 OE2 GLU A 85 -9.176 -9.270 -0.476 1.00 0.00 O ATOM 0 H GLU A 85 -7.245 -7.339 -4.089 1.00 0.00 H new ATOM 0 HA GLU A 85 -7.912 -9.852 -5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.472 -7.990 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.011 -9.569 -4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.898 -10.536 -3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.584 -8.953 -2.376 1.00 0.00 H new ATOM 318 N ASP A 86 -9.233 -7.034 -6.403 1.00 0.00 N ATOM 319 CA ASP A 86 -10.015 -6.503 -7.543 1.00 0.00 C ATOM 320 C ASP A 86 -9.130 -5.755 -8.515 1.00 0.00 C ATOM 321 O ASP A 86 -9.513 -5.468 -9.652 1.00 0.00 O ATOM 322 CB ASP A 86 -11.169 -5.618 -7.079 1.00 0.00 C ATOM 323 CG ASP A 86 -12.188 -5.347 -8.176 1.00 0.00 C ATOM 324 OD1 ASP A 86 -13.034 -6.221 -8.447 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.182 -4.267 -8.758 1.00 0.00 O ATOM 0 H ASP A 86 -8.874 -6.335 -5.753 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.443 -7.362 -8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.669 -6.095 -6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.770 -4.670 -6.719 1.00 0.00 H new ATOM 330 N GLY A 87 -7.950 -5.421 -8.069 1.00 0.00 N ATOM 331 CA GLY A 87 -6.990 -4.775 -8.949 1.00 0.00 C ATOM 332 C GLY A 87 -7.198 -3.281 -9.071 1.00 0.00 C ATOM 333 O GLY A 87 -6.522 -2.615 -9.865 1.00 0.00 O ATOM 0 H GLY A 87 -7.624 -5.579 -7.115 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.983 -4.965 -8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.055 -5.226 -9.939 1.00 0.00 H new ATOM 337 N GLN A 88 -8.135 -2.749 -8.319 1.00 0.00 N ATOM 338 CA GLN A 88 -8.385 -1.317 -8.355 1.00 0.00 C ATOM 339 C GLN A 88 -7.616 -0.633 -7.251 1.00 0.00 C ATOM 340 O GLN A 88 -7.205 -1.280 -6.287 1.00 0.00 O ATOM 341 CB GLN A 88 -9.867 -0.979 -8.211 1.00 0.00 C ATOM 342 CG GLN A 88 -10.790 -1.645 -9.206 1.00 0.00 C ATOM 343 CD GLN A 88 -10.336 -1.539 -10.643 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.618 -0.561 -11.331 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.703 -2.572 -11.127 1.00 0.00 N ATOM 0 H GLN A 88 -8.732 -3.275 -7.681 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.053 -0.961 -9.330 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.187 -1.253 -7.206 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.985 0.101 -8.300 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.887 -2.699 -8.945 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.782 -1.202 -9.117 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.486 -3.366 -10.524 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.425 -2.586 -12.108 1.00 0.00 H new ATOM 354 N CYS A 89 -7.431 0.651 -7.373 1.00 0.00 N ATOM 355 CA CYS A 89 -6.714 1.393 -6.364 1.00 0.00 C ATOM 356 C CYS A 89 -7.661 1.979 -5.316 1.00 0.00 C ATOM 357 O CYS A 89 -8.733 2.518 -5.643 1.00 0.00 O ATOM 358 CB CYS A 89 -5.840 2.466 -7.012 1.00 0.00 C ATOM 359 SG CYS A 89 -6.708 3.506 -8.200 1.00 0.00 S ATOM 0 H CYS A 89 -7.765 1.209 -8.159 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.057 0.703 -5.835 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.421 3.099 -6.230 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -5.002 1.982 -7.514 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.885 4.384 -8.691 1.00 0.00 H new ATOM 365 N TYR A 90 -7.273 1.855 -4.073 1.00 0.00 N ATOM 366 CA TYR A 90 -8.042 2.324 -2.938 1.00 0.00 C ATOM 367 C TYR A 90 -7.120 3.007 -1.953 1.00 0.00 C ATOM 368 O TYR A 90 -5.912 2.759 -1.972 1.00 0.00 O ATOM 369 CB TYR A 90 -8.756 1.165 -2.252 1.00 0.00 C ATOM 370 CG TYR A 90 -9.821 0.488 -3.088 1.00 0.00 C ATOM 371 CD1 TYR A 90 -11.124 0.947 -3.078 1.00 0.00 C ATOM 372 CD2 TYR A 90 -9.521 -0.627 -3.861 1.00 0.00 C ATOM 373 CE1 TYR A 90 -12.106 0.316 -3.823 1.00 0.00 C ATOM 374 CE2 TYR A 90 -10.490 -1.267 -4.603 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.782 -0.795 -4.583 1.00 0.00 C ATOM 376 OH TYR A 90 -12.757 -1.440 -5.315 1.00 0.00 O ATOM 0 H TYR A 90 -6.391 1.414 -3.810 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.792 3.030 -3.293 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.014 0.421 -1.963 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.214 1.532 -1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.380 1.810 -2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.508 -1.000 -3.881 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -13.120 0.689 -3.811 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.237 -2.133 -5.196 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.360 -2.199 -5.792 1.00 0.00 H new ATOM 386 N GLU A 91 -7.664 3.861 -1.121 1.00 0.00 N ATOM 387 CA GLU A 91 -6.873 4.599 -0.154 1.00 0.00 C ATOM 388 C GLU A 91 -6.478 3.677 0.988 1.00 0.00 C ATOM 389 O GLU A 91 -7.302 2.943 1.525 1.00 0.00 O ATOM 390 CB GLU A 91 -7.662 5.776 0.395 1.00 0.00 C ATOM 391 CG GLU A 91 -6.828 6.705 1.252 1.00 0.00 C ATOM 392 CD GLU A 91 -7.643 7.770 1.898 1.00 0.00 C ATOM 393 OE1 GLU A 91 -8.068 8.704 1.215 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.852 7.701 3.126 1.00 0.00 O ATOM 0 H GLU A 91 -8.663 4.067 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.979 4.978 -0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.085 6.341 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.499 5.401 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.319 6.125 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.055 7.166 0.637 1.00 0.00 H new ATOM 401 N ALA A 92 -5.238 3.716 1.347 1.00 0.00 N ATOM 402 CA ALA A 92 -4.711 2.871 2.380 1.00 0.00 C ATOM 403 C ALA A 92 -3.655 3.595 3.182 1.00 0.00 C ATOM 404 O ALA A 92 -3.078 4.582 2.723 1.00 0.00 O ATOM 405 CB ALA A 92 -4.145 1.610 1.774 1.00 0.00 C ATOM 0 H ALA A 92 -4.549 4.342 0.929 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.522 2.604 3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.747 0.974 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.933 1.077 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.346 1.867 1.078 1.00 0.00 H new ATOM 411 N GLU A 93 -3.425 3.135 4.370 1.00 0.00 N ATOM 412 CA GLU A 93 -2.434 3.712 5.235 1.00 0.00 C ATOM 413 C GLU A 93 -1.396 2.666 5.598 1.00 0.00 C ATOM 414 O GLU A 93 -1.743 1.527 5.898 1.00 0.00 O ATOM 415 CB GLU A 93 -3.094 4.281 6.478 1.00 0.00 C ATOM 416 CG GLU A 93 -2.135 4.907 7.451 1.00 0.00 C ATOM 417 CD GLU A 93 -2.840 5.517 8.612 1.00 0.00 C ATOM 418 OE1 GLU A 93 -3.167 4.788 9.555 1.00 0.00 O ATOM 419 OE2 GLU A 93 -3.111 6.731 8.596 1.00 0.00 O ATOM 0 H GLU A 93 -3.922 2.341 4.775 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.932 4.528 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.828 5.028 6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.639 3.484 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.435 4.151 7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.547 5.671 6.941 1.00 0.00 H new ATOM 426 N ILE A 94 -0.148 3.047 5.514 1.00 0.00 N ATOM 427 CA ILE A 94 0.976 2.170 5.803 1.00 0.00 C ATOM 428 C ILE A 94 1.122 1.869 7.294 1.00 0.00 C ATOM 429 O ILE A 94 1.252 2.772 8.118 1.00 0.00 O ATOM 430 CB ILE A 94 2.273 2.783 5.269 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.124 3.027 3.776 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.455 1.862 5.548 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.202 3.873 3.189 1.00 0.00 C ATOM 0 H ILE A 94 0.129 3.989 5.239 1.00 0.00 H new ATOM 0 HA ILE A 94 0.776 1.224 5.300 1.00 0.00 H new ATOM 0 HB ILE A 94 2.464 3.730 5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.109 2.066 3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.161 3.503 3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.368 2.315 5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.552 1.710 6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.291 0.901 5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.024 4.000 2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.204 4.849 3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.167 3.390 3.341 1.00 0.00 H new ATOM 445 N GLU A 95 1.145 0.599 7.592 1.00 0.00 N ATOM 446 CA GLU A 95 1.263 0.075 8.933 1.00 0.00 C ATOM 447 C GLU A 95 2.694 -0.322 9.246 1.00 0.00 C ATOM 448 O GLU A 95 3.201 -0.061 10.339 1.00 0.00 O ATOM 449 CB GLU A 95 0.405 -1.168 9.022 1.00 0.00 C ATOM 450 CG GLU A 95 -1.052 -0.905 8.804 1.00 0.00 C ATOM 451 CD GLU A 95 -1.665 -0.182 9.959 1.00 0.00 C ATOM 452 OE1 GLU A 95 -2.128 -0.851 10.912 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.693 1.044 9.958 1.00 0.00 O ATOM 0 H GLU A 95 1.080 -0.131 6.883 1.00 0.00 H new ATOM 0 HA GLU A 95 0.949 0.843 9.640 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.750 -1.891 8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.541 -1.624 10.003 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.183 -0.316 7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.573 -1.850 8.649 1.00 0.00 H new ATOM 460 N GLU A 96 3.333 -0.959 8.288 1.00 0.00 N ATOM 461 CA GLU A 96 4.648 -1.514 8.443 1.00 0.00 C ATOM 462 C GLU A 96 5.327 -1.443 7.097 1.00 0.00 C ATOM 463 O GLU A 96 4.668 -1.596 6.083 1.00 0.00 O ATOM 464 CB GLU A 96 4.483 -2.981 8.844 1.00 0.00 C ATOM 465 CG GLU A 96 5.759 -3.772 9.001 1.00 0.00 C ATOM 466 CD GLU A 96 6.535 -3.435 10.256 1.00 0.00 C ATOM 467 OE1 GLU A 96 6.096 -3.810 11.363 1.00 0.00 O ATOM 468 OE2 GLU A 96 7.609 -2.836 10.163 1.00 0.00 O ATOM 0 H GLU A 96 2.937 -1.105 7.359 1.00 0.00 H new ATOM 0 HA GLU A 96 5.231 -0.980 9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.936 -3.020 9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.863 -3.474 8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.518 -4.835 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.395 -3.595 8.133 1.00 0.00 H new ATOM 475 N ILE A 97 6.598 -1.181 7.083 1.00 0.00 N ATOM 476 CA ILE A 97 7.354 -1.150 5.843 1.00 0.00 C ATOM 477 C ILE A 97 8.489 -2.149 5.905 1.00 0.00 C ATOM 478 O ILE A 97 9.141 -2.290 6.937 1.00 0.00 O ATOM 479 CB ILE A 97 7.972 0.244 5.589 1.00 0.00 C ATOM 480 CG1 ILE A 97 6.899 1.304 5.567 1.00 0.00 C ATOM 481 CG2 ILE A 97 8.761 0.272 4.266 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.444 2.682 5.405 1.00 0.00 C ATOM 0 H ILE A 97 7.149 -0.982 7.918 1.00 0.00 H new ATOM 0 HA ILE A 97 6.660 -1.393 5.038 1.00 0.00 H new ATOM 0 HB ILE A 97 8.662 0.453 6.406 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.206 1.095 4.752 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.326 1.252 6.493 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.184 1.265 4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.566 -0.462 4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.093 0.033 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.623 3.399 5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.115 2.908 6.234 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.993 2.748 4.466 1.00 0.00 H new ATOM 494 N ASP A 98 8.705 -2.844 4.831 1.00 0.00 N ATOM 495 CA ASP A 98 9.844 -3.708 4.673 1.00 0.00 C ATOM 496 C ASP A 98 10.575 -3.241 3.429 1.00 0.00 C ATOM 497 O ASP A 98 10.199 -3.601 2.312 1.00 0.00 O ATOM 498 CB ASP A 98 9.414 -5.162 4.504 1.00 0.00 C ATOM 499 CG ASP A 98 10.582 -6.123 4.520 1.00 0.00 C ATOM 500 OD1 ASP A 98 11.265 -6.270 3.498 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.826 -6.755 5.579 1.00 0.00 O ATOM 0 H ASP A 98 8.085 -2.829 4.021 1.00 0.00 H new ATOM 0 HA ASP A 98 10.481 -3.660 5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.721 -5.426 5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.873 -5.270 3.564 1.00 0.00 H new ATOM 506 N GLU A 99 11.548 -2.360 3.609 1.00 0.00 N ATOM 507 CA GLU A 99 12.290 -1.783 2.492 1.00 0.00 C ATOM 508 C GLU A 99 13.111 -2.826 1.753 1.00 0.00 C ATOM 509 O GLU A 99 13.388 -2.676 0.569 1.00 0.00 O ATOM 510 CB GLU A 99 13.189 -0.627 2.949 1.00 0.00 C ATOM 511 CG GLU A 99 14.208 -1.003 4.015 1.00 0.00 C ATOM 512 CD GLU A 99 15.177 0.110 4.312 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.821 1.036 5.051 1.00 0.00 O ATOM 514 OE2 GLU A 99 16.320 0.077 3.805 1.00 0.00 O ATOM 0 H GLU A 99 11.846 -2.025 4.525 1.00 0.00 H new ATOM 0 HA GLU A 99 11.547 -1.388 1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.718 -0.231 2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.560 0.176 3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.685 -1.277 4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 99 14.761 -1.883 3.688 1.00 0.00 H new ATOM 521 N GLU A 100 13.452 -3.891 2.453 1.00 0.00 N ATOM 522 CA GLU A 100 14.277 -4.946 1.918 1.00 0.00 C ATOM 523 C GLU A 100 13.583 -5.624 0.746 1.00 0.00 C ATOM 524 O GLU A 100 14.191 -5.875 -0.301 1.00 0.00 O ATOM 525 CB GLU A 100 14.578 -5.967 3.001 1.00 0.00 C ATOM 526 CG GLU A 100 15.566 -7.022 2.575 1.00 0.00 C ATOM 527 CD GLU A 100 16.929 -6.449 2.316 1.00 0.00 C ATOM 528 OE1 GLU A 100 17.127 -5.783 1.290 1.00 0.00 O ATOM 529 OE2 GLU A 100 17.830 -6.673 3.145 1.00 0.00 O ATOM 0 H GLU A 100 13.159 -4.045 3.418 1.00 0.00 H new ATOM 0 HA GLU A 100 15.212 -4.511 1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.966 -5.450 3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.649 -6.451 3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 100 15.636 -7.786 3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.203 -7.515 1.673 1.00 0.00 H new ATOM 536 N ASN A 101 12.312 -5.915 0.927 1.00 0.00 N ATOM 537 CA ASN A 101 11.516 -6.534 -0.119 1.00 0.00 C ATOM 538 C ASN A 101 10.770 -5.485 -0.895 1.00 0.00 C ATOM 539 O ASN A 101 10.122 -5.783 -1.897 1.00 0.00 O ATOM 540 CB ASN A 101 10.532 -7.556 0.462 1.00 0.00 C ATOM 541 CG ASN A 101 11.217 -8.775 1.048 1.00 0.00 C ATOM 542 OD1 ASN A 101 11.423 -9.781 0.358 1.00 0.00 O ATOM 543 ND2 ASN A 101 11.594 -8.699 2.294 1.00 0.00 N ATOM 0 H ASN A 101 11.803 -5.733 1.792 1.00 0.00 H new ATOM 0 HA ASN A 101 12.195 -7.060 -0.790 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.934 -7.076 1.236 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.844 -7.875 -0.321 1.00 0.00 H new ATOM 0 HD21 ASN A 101 12.076 -9.485 2.730 1.00 0.00 H new ATOM 0 HD22 ASN A 101 11.407 -7.853 2.833 1.00 0.00 H new ATOM 550 N GLY A 102 10.887 -4.252 -0.444 1.00 0.00 N ATOM 551 CA GLY A 102 10.194 -3.152 -1.058 1.00 0.00 C ATOM 552 C GLY A 102 8.705 -3.309 -0.914 1.00 0.00 C ATOM 553 O GLY A 102 7.958 -3.087 -1.854 1.00 0.00 O ATOM 0 H GLY A 102 11.464 -3.992 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.511 -2.215 -0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.457 -3.095 -2.114 1.00 0.00 H new ATOM 557 N THR A 103 8.272 -3.703 0.253 1.00 0.00 N ATOM 558 CA THR A 103 6.879 -3.941 0.499 1.00 0.00 C ATOM 559 C THR A 103 6.428 -3.200 1.721 1.00 0.00 C ATOM 560 O THR A 103 7.235 -2.875 2.583 1.00 0.00 O ATOM 561 CB THR A 103 6.616 -5.444 0.705 1.00 0.00 C ATOM 562 OG1 THR A 103 7.474 -5.939 1.747 1.00 0.00 O ATOM 563 CG2 THR A 103 6.887 -6.220 -0.556 1.00 0.00 C ATOM 0 H THR A 103 8.876 -3.867 1.058 1.00 0.00 H new ATOM 0 HA THR A 103 6.322 -3.589 -0.369 1.00 0.00 H new ATOM 0 HB THR A 103 5.569 -5.573 0.978 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.307 -6.895 1.881 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.693 -7.278 -0.381 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.236 -5.859 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.928 -6.086 -0.849 1.00 0.00 H new ATOM 571 N ALA A 104 5.175 -2.924 1.789 1.00 0.00 N ATOM 572 CA ALA A 104 4.610 -2.314 2.947 1.00 0.00 C ATOM 573 C ALA A 104 3.260 -2.921 3.244 1.00 0.00 C ATOM 574 O ALA A 104 2.524 -3.318 2.332 1.00 0.00 O ATOM 575 CB ALA A 104 4.495 -0.818 2.757 1.00 0.00 C ATOM 0 H ALA A 104 4.507 -3.114 1.042 1.00 0.00 H new ATOM 0 HA ALA A 104 5.268 -2.496 3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.062 -0.370 3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.485 -0.396 2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.855 -0.608 1.900 1.00 0.00 H new ATOM 581 N ALA A 105 2.963 -3.042 4.499 1.00 0.00 N ATOM 582 CA ALA A 105 1.685 -3.501 4.934 1.00 0.00 C ATOM 583 C ALA A 105 0.820 -2.301 5.084 1.00 0.00 C ATOM 584 O ALA A 105 1.186 -1.353 5.773 1.00 0.00 O ATOM 585 CB ALA A 105 1.779 -4.260 6.239 1.00 0.00 C ATOM 0 H ALA A 105 3.609 -2.822 5.257 1.00 0.00 H new ATOM 0 HA ALA A 105 1.268 -4.196 4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 105 0.785 -4.594 6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.429 -5.125 6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.190 -3.609 7.010 1.00 0.00 H new ATOM 591 N ILE A 106 -0.280 -2.313 4.432 1.00 0.00 N ATOM 592 CA ILE A 106 -1.155 -1.180 4.405 1.00 0.00 C ATOM 593 C ILE A 106 -2.564 -1.575 4.786 1.00 0.00 C ATOM 594 O ILE A 106 -2.963 -2.727 4.608 1.00 0.00 O ATOM 595 CB ILE A 106 -1.115 -0.465 3.007 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.375 -1.431 1.851 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.188 0.266 2.784 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.818 -1.669 1.542 1.00 0.00 C ATOM 0 H ILE A 106 -0.612 -3.113 3.893 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.801 -0.464 5.147 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.923 0.266 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.886 -1.045 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.906 -2.387 2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.173 0.746 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.318 1.023 3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.015 -0.443 2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.901 -2.367 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.313 -2.089 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.293 -0.725 1.274 1.00 0.00 H new ATOM 610 N THR A 107 -3.284 -0.649 5.332 1.00 0.00 N ATOM 611 CA THR A 107 -4.656 -0.865 5.707 1.00 0.00 C ATOM 612 C THR A 107 -5.565 0.040 4.894 1.00 0.00 C ATOM 613 O THR A 107 -5.415 1.263 4.915 1.00 0.00 O ATOM 614 CB THR A 107 -4.849 -0.618 7.214 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.980 -1.499 7.920 1.00 0.00 O ATOM 616 CG2 THR A 107 -6.287 -0.877 7.647 1.00 0.00 C ATOM 0 H THR A 107 -2.939 0.289 5.535 1.00 0.00 H new ATOM 0 HA THR A 107 -4.919 -1.902 5.498 1.00 0.00 H new ATOM 0 HB THR A 107 -4.620 0.425 7.433 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.084 -1.358 8.884 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.384 -0.692 8.717 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.957 -0.212 7.102 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.551 -1.913 7.433 1.00 0.00 H new ATOM 624 N PHE A 108 -6.463 -0.563 4.160 1.00 0.00 N ATOM 625 CA PHE A 108 -7.395 0.147 3.319 1.00 0.00 C ATOM 626 C PHE A 108 -8.401 0.910 4.152 1.00 0.00 C ATOM 627 O PHE A 108 -9.085 0.336 5.022 1.00 0.00 O ATOM 628 CB PHE A 108 -8.101 -0.813 2.390 1.00 0.00 C ATOM 629 CG PHE A 108 -7.188 -1.464 1.401 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.824 -0.793 0.247 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.712 -2.746 1.606 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.006 -1.384 -0.687 1.00 0.00 C ATOM 633 CE2 PHE A 108 -5.890 -3.346 0.682 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.535 -2.663 -0.473 1.00 0.00 C ATOM 0 H PHE A 108 -6.570 -1.577 4.128 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.835 0.865 2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.592 -1.585 2.982 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.884 -0.277 1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.188 0.210 0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.989 -3.282 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.733 -0.849 -1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.521 -4.346 0.854 1.00 0.00 H new ATOM 0 HZ PHE A 108 -4.891 -3.132 -1.203 1.00 0.00 H new ATOM 644 N ALA A 109 -8.483 2.181 3.869 1.00 0.00 N ATOM 645 CA ALA A 109 -9.324 3.114 4.585 1.00 0.00 C ATOM 646 C ALA A 109 -10.792 2.754 4.456 1.00 0.00 C ATOM 647 O ALA A 109 -11.288 2.516 3.351 1.00 0.00 O ATOM 648 CB ALA A 109 -9.087 4.514 4.059 1.00 0.00 C ATOM 0 H ALA A 109 -7.953 2.614 3.113 1.00 0.00 H new ATOM 0 HA ALA A 109 -9.062 3.066 5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -9.721 5.218 4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -8.041 4.784 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.328 4.549 2.997 1.00 0.00 H new ATOM 654 N GLY A 110 -11.468 2.668 5.575 1.00 0.00 N ATOM 655 CA GLY A 110 -12.877 2.386 5.576 1.00 0.00 C ATOM 656 C GLY A 110 -13.178 0.909 5.664 1.00 0.00 C ATOM 657 O GLY A 110 -14.030 0.486 6.456 1.00 0.00 O ATOM 0 H GLY A 110 -11.059 2.791 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -13.345 2.898 6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.324 2.790 4.668 1.00 0.00 H new ATOM 661 N TYR A 111 -12.493 0.122 4.863 1.00 0.00 N ATOM 662 CA TYR A 111 -12.717 -1.315 4.831 1.00 0.00 C ATOM 663 C TYR A 111 -12.039 -1.994 5.997 1.00 0.00 C ATOM 664 O TYR A 111 -12.515 -3.005 6.491 1.00 0.00 O ATOM 665 CB TYR A 111 -12.195 -1.910 3.537 1.00 0.00 C ATOM 666 CG TYR A 111 -12.698 -1.209 2.318 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.962 -1.459 1.820 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.899 -0.295 1.661 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.418 -0.816 0.694 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.338 0.354 0.539 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.600 0.093 0.054 1.00 0.00 C ATOM 672 OH TYR A 111 -14.050 0.752 -1.068 1.00 0.00 O ATOM 0 H TYR A 111 -11.772 0.451 4.221 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.792 -1.481 4.898 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.106 -1.876 3.543 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.481 -2.961 3.487 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.601 -2.170 2.323 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.909 -0.088 2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.408 -1.020 0.313 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.699 1.066 0.037 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.407 0.632 -1.798 1.00 0.00 H new ATOM 682 N GLY A 112 -10.901 -1.466 6.399 1.00 0.00 N ATOM 683 CA GLY A 112 -10.184 -2.025 7.518 1.00 0.00 C ATOM 684 C GLY A 112 -9.308 -3.191 7.121 1.00 0.00 C ATOM 685 O GLY A 112 -8.610 -3.762 7.964 1.00 0.00 O ATOM 0 H GLY A 112 -10.458 -0.655 5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.567 -1.250 7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.897 -2.352 8.275 1.00 0.00 H new ATOM 689 N ASN A 113 -9.334 -3.541 5.839 1.00 0.00 N ATOM 690 CA ASN A 113 -8.534 -4.649 5.330 1.00 0.00 C ATOM 691 C ASN A 113 -7.088 -4.271 5.308 1.00 0.00 C ATOM 692 O ASN A 113 -6.753 -3.106 5.110 1.00 0.00 O ATOM 693 CB ASN A 113 -8.945 -5.076 3.923 1.00 0.00 C ATOM 694 CG ASN A 113 -10.225 -5.887 3.834 1.00 0.00 C ATOM 695 OD1 ASN A 113 -11.173 -5.716 4.605 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.256 -6.780 2.891 1.00 0.00 N ATOM 0 H ASN A 113 -9.901 -3.072 5.133 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.705 -5.489 6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -9.058 -4.182 3.309 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -8.134 -5.660 3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.082 -7.366 2.771 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.454 -6.895 2.271 1.00 0.00 H new ATOM 703 N ALA A 114 -6.238 -5.232 5.467 1.00 0.00 N ATOM 704 CA ALA A 114 -4.823 -4.974 5.528 1.00 0.00 C ATOM 705 C ALA A 114 -4.057 -6.025 4.770 1.00 0.00 C ATOM 706 O ALA A 114 -4.302 -7.231 4.941 1.00 0.00 O ATOM 707 CB ALA A 114 -4.359 -4.917 6.965 1.00 0.00 C ATOM 0 H ALA A 114 -6.495 -6.215 5.559 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.631 -4.008 5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.287 -4.721 6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.888 -4.119 7.487 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.567 -5.869 7.453 1.00 0.00 H new ATOM 713 N GLU A 115 -3.144 -5.595 3.940 1.00 0.00 N ATOM 714 CA GLU A 115 -2.361 -6.507 3.147 1.00 0.00 C ATOM 715 C GLU A 115 -0.946 -5.990 2.983 1.00 0.00 C ATOM 716 O GLU A 115 -0.682 -4.801 3.196 1.00 0.00 O ATOM 717 CB GLU A 115 -3.003 -6.732 1.766 1.00 0.00 C ATOM 718 CG GLU A 115 -3.094 -5.502 0.888 1.00 0.00 C ATOM 719 CD GLU A 115 -3.621 -5.843 -0.499 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.810 -6.194 -0.633 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.829 -5.838 -1.465 1.00 0.00 O ATOM 0 H GLU A 115 -2.923 -4.610 3.794 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.330 -7.462 3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.431 -7.494 1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.007 -7.130 1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.749 -4.767 1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.110 -5.042 0.801 1.00 0.00 H new ATOM 728 N VAL A 116 -0.052 -6.877 2.635 1.00 0.00 N ATOM 729 CA VAL A 116 1.314 -6.538 2.354 1.00 0.00 C ATOM 730 C VAL A 116 1.424 -6.378 0.859 1.00 0.00 C ATOM 731 O VAL A 116 1.190 -7.325 0.110 1.00 0.00 O ATOM 732 CB VAL A 116 2.301 -7.643 2.830 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.747 -7.232 2.579 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.086 -7.964 4.301 1.00 0.00 C ATOM 0 H VAL A 116 -0.258 -7.871 2.538 1.00 0.00 H new ATOM 0 HA VAL A 116 1.580 -5.625 2.887 1.00 0.00 H new ATOM 0 HB VAL A 116 2.098 -8.543 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.415 -8.023 2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.898 -7.066 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.964 -6.313 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.787 -8.739 4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.251 -7.066 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.066 -8.317 4.451 1.00 0.00 H new ATOM 744 N THR A 117 1.728 -5.212 0.434 1.00 0.00 N ATOM 745 CA THR A 117 1.788 -4.901 -0.953 1.00 0.00 C ATOM 746 C THR A 117 3.104 -4.190 -1.244 1.00 0.00 C ATOM 747 O THR A 117 3.618 -3.456 -0.393 1.00 0.00 O ATOM 748 CB THR A 117 0.556 -4.048 -1.392 1.00 0.00 C ATOM 749 OG1 THR A 117 0.521 -3.894 -2.809 1.00 0.00 O ATOM 750 CG2 THR A 117 0.569 -2.684 -0.746 1.00 0.00 C ATOM 0 H THR A 117 1.948 -4.427 1.047 1.00 0.00 H new ATOM 0 HA THR A 117 1.750 -5.821 -1.536 1.00 0.00 H new ATOM 0 HB THR A 117 -0.335 -4.584 -1.064 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.260 -3.358 -3.061 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.303 -2.118 -1.074 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.543 -2.795 0.338 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.476 -2.153 -1.035 1.00 0.00 H new ATOM 758 N PRO A 118 3.731 -4.479 -2.379 1.00 0.00 N ATOM 759 CA PRO A 118 4.974 -3.848 -2.749 1.00 0.00 C ATOM 760 C PRO A 118 4.789 -2.349 -2.928 1.00 0.00 C ATOM 761 O PRO A 118 3.724 -1.893 -3.351 1.00 0.00 O ATOM 762 CB PRO A 118 5.336 -4.505 -4.076 1.00 0.00 C ATOM 763 CG PRO A 118 4.054 -4.982 -4.613 1.00 0.00 C ATOM 764 CD PRO A 118 3.243 -5.381 -3.423 1.00 0.00 C ATOM 0 HA PRO A 118 5.747 -3.969 -1.990 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.811 -3.795 -4.754 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.037 -5.327 -3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.553 -4.200 -5.184 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.201 -5.825 -5.288 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.175 -5.254 -3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.400 -6.427 -3.159 1.00 0.00 H new ATOM 772 N LEU A 119 5.808 -1.601 -2.591 1.00 0.00 N ATOM 773 CA LEU A 119 5.824 -0.138 -2.704 1.00 0.00 C ATOM 774 C LEU A 119 5.476 0.322 -4.117 1.00 0.00 C ATOM 775 O LEU A 119 4.978 1.422 -4.306 1.00 0.00 O ATOM 776 CB LEU A 119 7.191 0.421 -2.312 1.00 0.00 C ATOM 777 CG LEU A 119 7.733 -0.001 -0.946 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.056 0.673 -0.671 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.738 0.285 0.164 1.00 0.00 C ATOM 0 H LEU A 119 6.677 -1.986 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 119 5.066 0.243 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.913 0.123 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.134 1.509 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 119 7.891 -1.079 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.427 0.361 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.775 0.390 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.922 1.755 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.159 -0.028 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.524 1.353 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.815 -0.264 -0.024 1.00 0.00 H new ATOM 791 N LEU A 120 5.748 -0.535 -5.100 1.00 0.00 N ATOM 792 CA LEU A 120 5.427 -0.253 -6.494 1.00 0.00 C ATOM 793 C LEU A 120 3.902 -0.177 -6.703 1.00 0.00 C ATOM 794 O LEU A 120 3.415 0.470 -7.631 1.00 0.00 O ATOM 795 CB LEU A 120 6.093 -1.306 -7.424 1.00 0.00 C ATOM 796 CG LEU A 120 5.513 -2.738 -7.441 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.393 -2.851 -8.447 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.590 -3.762 -7.723 1.00 0.00 C ATOM 0 H LEU A 120 6.195 -1.440 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 120 5.832 0.724 -6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.057 -0.920 -8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.145 -1.376 -7.147 1.00 0.00 H new ATOM 0 HG LEU A 120 5.107 -2.944 -6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.000 -3.868 -8.441 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.597 -2.153 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.772 -2.614 -9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.151 -4.760 -7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.040 -3.558 -8.695 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.356 -3.707 -6.949 1.00 0.00 H new ATOM 810 N ASN A 121 3.158 -0.823 -5.820 1.00 0.00 N ATOM 811 CA ASN A 121 1.709 -0.842 -5.901 1.00 0.00 C ATOM 812 C ASN A 121 1.117 0.296 -5.143 1.00 0.00 C ATOM 813 O ASN A 121 -0.071 0.597 -5.279 1.00 0.00 O ATOM 814 CB ASN A 121 1.134 -2.163 -5.411 1.00 0.00 C ATOM 815 CG ASN A 121 1.226 -3.252 -6.439 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.220 -2.993 -7.641 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.264 -4.461 -6.001 1.00 0.00 N ATOM 0 H ASN A 121 3.540 -1.346 -5.032 1.00 0.00 H new ATOM 0 HA ASN A 121 1.444 -0.734 -6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.664 -2.473 -4.511 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.090 -2.019 -5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.290 -5.241 -6.658 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.268 -4.640 -4.997 1.00 0.00 H new ATOM 824 N LEU A 122 1.930 0.916 -4.338 1.00 0.00 N ATOM 825 CA LEU A 122 1.513 2.072 -3.607 1.00 0.00 C ATOM 826 C LEU A 122 1.695 3.296 -4.469 1.00 0.00 C ATOM 827 O LEU A 122 2.772 3.547 -5.009 1.00 0.00 O ATOM 828 CB LEU A 122 2.323 2.219 -2.321 1.00 0.00 C ATOM 829 CG LEU A 122 2.238 1.057 -1.346 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.042 1.340 -0.099 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.805 0.769 -0.988 1.00 0.00 C ATOM 0 H LEU A 122 2.896 0.634 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 122 0.462 1.961 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.369 2.368 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.994 3.123 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 122 2.659 0.178 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.965 0.493 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.087 1.496 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.655 2.235 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.765 -0.066 -0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.361 1.651 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.249 0.514 -1.890 1.00 0.00 H new ATOM 843 N LYS A 123 0.655 4.031 -4.605 1.00 0.00 N ATOM 844 CA LYS A 123 0.643 5.236 -5.373 1.00 0.00 C ATOM 845 C LYS A 123 0.401 6.366 -4.394 1.00 0.00 C ATOM 846 O LYS A 123 -0.198 6.133 -3.334 1.00 0.00 O ATOM 847 CB LYS A 123 -0.507 5.199 -6.399 1.00 0.00 C ATOM 848 CG LYS A 123 -0.680 3.869 -7.132 1.00 0.00 C ATOM 849 CD LYS A 123 0.540 3.444 -7.942 1.00 0.00 C ATOM 850 CE LYS A 123 0.293 2.073 -8.564 1.00 0.00 C ATOM 851 NZ LYS A 123 1.431 1.583 -9.370 1.00 0.00 N ATOM 0 H LYS A 123 -0.243 3.811 -4.175 1.00 0.00 H new ATOM 0 HA LYS A 123 1.580 5.363 -5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.439 5.437 -5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.340 5.984 -7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -0.908 3.091 -6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.539 3.943 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 123 0.743 4.177 -8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.420 3.409 -7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 123 0.082 1.355 -7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -0.595 2.122 -9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 1.101 0.845 -10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 1.836 2.371 -9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 2.158 1.187 -8.740 1.00 0.00 H new ATOM 865 N PRO A 124 0.860 7.573 -4.680 1.00 0.00 N ATOM 866 CA PRO A 124 0.600 8.707 -3.814 1.00 0.00 C ATOM 867 C PRO A 124 -0.859 9.143 -3.935 1.00 0.00 C ATOM 868 O PRO A 124 -1.500 8.933 -4.981 1.00 0.00 O ATOM 869 CB PRO A 124 1.553 9.784 -4.327 1.00 0.00 C ATOM 870 CG PRO A 124 1.787 9.434 -5.755 1.00 0.00 C ATOM 871 CD PRO A 124 1.655 7.937 -5.860 1.00 0.00 C ATOM 0 HA PRO A 124 0.758 8.489 -2.758 1.00 0.00 H new ATOM 0 HB2 PRO A 124 1.116 10.778 -4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.486 9.789 -3.763 1.00 0.00 H new ATOM 0 HG2 PRO A 124 1.063 9.933 -6.399 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.777 9.759 -6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 124 1.157 7.643 -6.784 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.629 7.448 -5.853 1.00 0.00 H new ATOM 879 N VAL A 125 -1.394 9.707 -2.885 1.00 0.00 N ATOM 880 CA VAL A 125 -2.774 10.105 -2.892 1.00 0.00 C ATOM 881 C VAL A 125 -2.950 11.385 -3.690 1.00 0.00 C ATOM 882 O VAL A 125 -2.583 12.480 -3.240 1.00 0.00 O ATOM 883 CB VAL A 125 -3.361 10.270 -1.465 1.00 0.00 C ATOM 884 CG1 VAL A 125 -4.836 10.653 -1.517 1.00 0.00 C ATOM 885 CG2 VAL A 125 -3.195 8.994 -0.671 1.00 0.00 C ATOM 0 H VAL A 125 -0.896 9.900 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.333 9.300 -3.370 1.00 0.00 H new ATOM 0 HB VAL A 125 -2.811 11.072 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.220 10.762 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.948 11.597 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -5.396 9.875 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -3.613 9.129 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.717 8.181 -1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -2.136 8.751 -0.591 1.00 0.00 H new