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= -0.805 USER MOD Set 1.2: A 121 ASN : amide:sc= -2.17! C(o=-3!,f=-2.6!) USER MOD Single : A 72 SER OG : rot -36:sc= 0.265 USER MOD Single : A 74 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.09) USER MOD Single : A 78 LYS NZ :NH3+ -164:sc= 1.3 (180deg=1.18) USER MOD Single : A 79 CYS SG : rot -15:sc= -0.865! USER MOD Single : A 80 MET CE :methyl 154:sc= -0.191 (180deg=-0.921) USER MOD Single : A 84 SER OG : rot 66:sc= 1.27 USER MOD Single : A 88 GLN : amide:sc= -0.0534 X(o=-0.053,f=-0.053) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.193 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.21 K(o=1.2,f=-0.14) USER MOD Single : A 103 THR OG1 : rot 180:sc=-0.00429 USER MOD Single : A 107 THR OG1 : rot 178:sc= -0.748 USER MOD Single : A 111 TYR OH : rot -124:sc= 0.0112 USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 123 LYS NZ :NH3+ -141:sc= 1.08 (180deg=0.172) USER MOD ----------------------------------------------------------------- ATOM 100 N SER A 72 9.696 6.649 -1.830 1.00 0.00 N ATOM 101 CA SER A 72 10.005 6.770 -0.439 1.00 0.00 C ATOM 102 C SER A 72 8.722 6.916 0.384 1.00 0.00 C ATOM 103 O SER A 72 8.027 7.935 0.300 1.00 0.00 O ATOM 104 CB SER A 72 10.955 7.953 -0.240 1.00 0.00 C ATOM 105 OG SER A 72 10.457 9.109 -0.906 1.00 0.00 O ATOM 0 HA SER A 72 10.504 5.867 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.070 8.160 0.824 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.944 7.702 -0.624 1.00 0.00 H new ATOM 0 HG SER A 72 10.025 8.843 -1.744 1.00 0.00 H new ATOM 111 N TRP A 73 8.394 5.884 1.112 1.00 0.00 N ATOM 112 CA TRP A 73 7.211 5.849 1.953 1.00 0.00 C ATOM 113 C TRP A 73 7.607 5.734 3.407 1.00 0.00 C ATOM 114 O TRP A 73 8.684 5.201 3.708 1.00 0.00 O ATOM 115 CB TRP A 73 6.332 4.651 1.604 1.00 0.00 C ATOM 116 CG TRP A 73 5.666 4.715 0.273 1.00 0.00 C ATOM 117 CD1 TRP A 73 5.975 3.992 -0.838 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.564 5.546 -0.080 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.117 4.312 -1.858 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.246 5.270 -1.417 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.812 6.498 0.610 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.212 5.906 -2.077 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.788 7.128 -0.050 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.498 6.828 -1.380 1.00 0.00 C ATOM 0 H TRP A 73 8.945 5.026 1.144 1.00 0.00 H new ATOM 0 HA TRP A 73 6.658 6.773 1.783 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.943 3.749 1.643 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.564 4.549 2.371 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.778 3.273 -0.906 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.127 3.903 -2.792 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.032 6.733 1.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 2.980 5.679 -3.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.197 7.868 0.469 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.684 7.342 -1.869 1.00 0.00 H new ATOM 135 N LYS A 74 6.777 6.242 4.309 1.00 0.00 N ATOM 136 CA LYS A 74 7.019 6.050 5.719 1.00 0.00 C ATOM 137 C LYS A 74 5.749 5.484 6.364 1.00 0.00 C ATOM 138 O LYS A 74 4.665 5.532 5.768 1.00 0.00 O ATOM 139 CB LYS A 74 7.445 7.334 6.451 1.00 0.00 C ATOM 140 CG LYS A 74 6.303 8.261 6.759 1.00 0.00 C ATOM 141 CD LYS A 74 6.712 9.383 7.678 1.00 0.00 C ATOM 142 CE LYS A 74 5.493 10.146 8.144 1.00 0.00 C ATOM 143 NZ LYS A 74 4.795 10.822 7.035 1.00 0.00 N ATOM 0 H LYS A 74 5.942 6.783 4.086 1.00 0.00 H new ATOM 0 HA LYS A 74 7.854 5.355 5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.942 7.063 7.382 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.177 7.864 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.915 8.678 5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.492 7.695 7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.249 8.982 8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.396 10.056 7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.805 9.460 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.793 10.886 8.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.133 11.526 7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.491 11.298 6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.269 10.120 6.477 1.00 0.00 H new ATOM 157 N VAL A 75 5.896 4.930 7.536 1.00 0.00 N ATOM 158 CA VAL A 75 4.788 4.386 8.295 1.00 0.00 C ATOM 159 C VAL A 75 3.807 5.506 8.692 1.00 0.00 C ATOM 160 O VAL A 75 4.231 6.582 9.124 1.00 0.00 O ATOM 161 CB VAL A 75 5.307 3.635 9.562 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.160 3.117 10.420 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.225 2.481 9.156 1.00 0.00 C ATOM 0 H VAL A 75 6.798 4.839 8.003 1.00 0.00 H new ATOM 0 HA VAL A 75 4.258 3.670 7.667 1.00 0.00 H new ATOM 0 HB VAL A 75 5.872 4.350 10.160 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.562 2.601 11.292 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.543 3.954 10.747 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.553 2.425 9.836 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.579 1.966 10.049 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.674 1.781 8.529 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.077 2.872 8.600 1.00 0.00 H new ATOM 173 N GLY A 76 2.517 5.261 8.538 1.00 0.00 N ATOM 174 CA GLY A 76 1.523 6.243 8.930 1.00 0.00 C ATOM 175 C GLY A 76 1.149 7.196 7.814 1.00 0.00 C ATOM 176 O GLY A 76 0.578 8.267 8.064 1.00 0.00 O ATOM 0 H GLY A 76 2.137 4.399 8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.627 5.726 9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.903 6.816 9.776 1.00 0.00 H new ATOM 180 N ASP A 77 1.442 6.822 6.597 1.00 0.00 N ATOM 181 CA ASP A 77 1.125 7.661 5.447 1.00 0.00 C ATOM 182 C ASP A 77 -0.003 7.056 4.685 1.00 0.00 C ATOM 183 O ASP A 77 -0.188 5.822 4.704 1.00 0.00 O ATOM 184 CB ASP A 77 2.308 7.797 4.481 1.00 0.00 C ATOM 185 CG ASP A 77 2.942 9.174 4.458 1.00 0.00 C ATOM 186 OD1 ASP A 77 2.340 10.109 3.910 1.00 0.00 O ATOM 187 OD2 ASP A 77 4.064 9.340 4.951 1.00 0.00 O ATOM 0 H ASP A 77 1.901 5.941 6.365 1.00 0.00 H new ATOM 0 HA ASP A 77 0.869 8.646 5.837 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.069 7.065 4.752 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.970 7.549 3.475 1.00 0.00 H new ATOM 192 N LYS A 78 -0.769 7.881 4.032 1.00 0.00 N ATOM 193 CA LYS A 78 -1.785 7.406 3.178 1.00 0.00 C ATOM 194 C LYS A 78 -1.259 7.261 1.805 1.00 0.00 C ATOM 195 O LYS A 78 -0.478 8.079 1.325 1.00 0.00 O ATOM 196 CB LYS A 78 -2.987 8.314 3.176 1.00 0.00 C ATOM 197 CG LYS A 78 -3.792 8.253 4.436 1.00 0.00 C ATOM 198 CD LYS A 78 -4.344 6.854 4.621 1.00 0.00 C ATOM 199 CE LYS A 78 -5.414 6.749 5.687 1.00 0.00 C ATOM 200 NZ LYS A 78 -5.020 7.311 7.004 1.00 0.00 N ATOM 0 H LYS A 78 -0.697 8.897 4.085 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.107 6.434 3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.655 9.340 3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.627 8.052 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.171 8.525 5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.608 8.974 4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.756 6.509 3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.524 6.182 4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.310 7.263 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.679 5.700 5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.674 6.969 7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.052 7.009 7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.058 8.350 6.964 1.00 0.00 H new ATOM 214 N CYS A 79 -1.675 6.239 1.194 1.00 0.00 N ATOM 215 CA CYS A 79 -1.282 5.922 -0.124 1.00 0.00 C ATOM 216 C CYS A 79 -2.441 5.258 -0.783 1.00 0.00 C ATOM 217 O CYS A 79 -3.461 5.011 -0.137 1.00 0.00 O ATOM 218 CB CYS A 79 -0.086 4.984 -0.081 1.00 0.00 C ATOM 219 SG CYS A 79 -0.365 3.507 0.924 1.00 0.00 S ATOM 0 H CYS A 79 -2.324 5.567 1.603 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.994 6.815 -0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.165 4.680 -1.097 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.775 5.524 0.312 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.418 3.680 1.666 1.00 0.00 H new ATOM 225 N MET A 80 -2.343 5.011 -2.029 1.00 0.00 N ATOM 226 CA MET A 80 -3.351 4.273 -2.683 1.00 0.00 C ATOM 227 C MET A 80 -2.744 2.992 -3.118 1.00 0.00 C ATOM 228 O MET A 80 -1.669 2.978 -3.710 1.00 0.00 O ATOM 229 CB MET A 80 -3.984 5.030 -3.854 1.00 0.00 C ATOM 230 CG MET A 80 -4.583 6.370 -3.454 1.00 0.00 C ATOM 231 SD MET A 80 -5.794 6.995 -4.627 1.00 0.00 S ATOM 232 CE MET A 80 -7.081 5.762 -4.419 1.00 0.00 C ATOM 0 H MET A 80 -1.570 5.311 -2.623 1.00 0.00 H new ATOM 0 HA MET A 80 -4.176 4.095 -1.993 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.228 5.193 -4.623 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.763 4.411 -4.299 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.054 6.271 -2.476 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.781 7.100 -3.349 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.046 6.196 -4.681 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.878 4.911 -5.068 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.102 5.430 -3.381 1.00 0.00 H new ATOM 242 N ALA A 81 -3.396 1.937 -2.808 1.00 0.00 N ATOM 243 CA ALA A 81 -2.890 0.641 -3.074 1.00 0.00 C ATOM 244 C ALA A 81 -3.841 -0.089 -3.948 1.00 0.00 C ATOM 245 O ALA A 81 -5.046 0.172 -3.923 1.00 0.00 O ATOM 246 CB ALA A 81 -2.683 -0.117 -1.778 1.00 0.00 C ATOM 0 H ALA A 81 -4.310 1.946 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.929 0.727 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.294 -1.111 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.972 0.421 -1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.634 -0.207 -1.253 1.00 0.00 H new ATOM 252 N VAL A 82 -3.316 -0.966 -4.723 1.00 0.00 N ATOM 253 CA VAL A 82 -4.099 -1.777 -5.588 1.00 0.00 C ATOM 254 C VAL A 82 -4.582 -2.979 -4.817 1.00 0.00 C ATOM 255 O VAL A 82 -3.778 -3.760 -4.313 1.00 0.00 O ATOM 256 CB VAL A 82 -3.280 -2.203 -6.829 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.041 -3.198 -7.690 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.923 -0.969 -7.641 1.00 0.00 C ATOM 0 H VAL A 82 -2.313 -1.145 -4.777 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.958 -1.210 -5.947 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.371 -2.698 -6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.433 -3.473 -8.552 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.265 -4.090 -7.104 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.972 -2.746 -8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.345 -1.264 -8.517 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.836 -0.467 -7.961 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.331 -0.289 -7.028 1.00 0.00 H new ATOM 268 N TRP A 83 -5.880 -3.086 -4.681 1.00 0.00 N ATOM 269 CA TRP A 83 -6.495 -4.175 -3.973 1.00 0.00 C ATOM 270 C TRP A 83 -6.209 -5.452 -4.718 1.00 0.00 C ATOM 271 O TRP A 83 -6.554 -5.567 -5.876 1.00 0.00 O ATOM 272 CB TRP A 83 -8.008 -3.951 -3.896 1.00 0.00 C ATOM 273 CG TRP A 83 -8.729 -4.864 -2.962 1.00 0.00 C ATOM 274 CD1 TRP A 83 -8.198 -5.499 -1.890 1.00 0.00 C ATOM 275 CD2 TRP A 83 -10.122 -5.204 -2.981 1.00 0.00 C ATOM 276 NE1 TRP A 83 -9.155 -6.225 -1.251 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.351 -6.054 -1.891 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.196 -4.877 -3.811 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.601 -6.581 -1.605 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.441 -5.402 -3.526 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.632 -6.246 -2.430 1.00 0.00 C ATOM 0 H TRP A 83 -6.544 -2.412 -5.063 1.00 0.00 H new ATOM 0 HA TRP A 83 -6.095 -4.235 -2.961 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.194 -2.921 -3.591 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.430 -4.068 -4.894 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -7.163 -5.438 -1.586 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -9.004 -6.805 -0.426 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.056 -4.225 -4.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.752 -7.234 -0.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.280 -5.156 -4.160 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.617 -6.641 -2.232 1.00 0.00 H new ATOM 292 N SER A 84 -5.611 -6.398 -4.056 1.00 0.00 N ATOM 293 CA SER A 84 -5.248 -7.667 -4.651 1.00 0.00 C ATOM 294 C SER A 84 -6.452 -8.455 -5.165 1.00 0.00 C ATOM 295 O SER A 84 -6.328 -9.307 -6.037 1.00 0.00 O ATOM 296 CB SER A 84 -4.512 -8.496 -3.636 1.00 0.00 C ATOM 297 OG SER A 84 -3.205 -8.013 -3.409 1.00 0.00 O ATOM 0 H SER A 84 -5.354 -6.316 -3.072 1.00 0.00 H new ATOM 0 HA SER A 84 -4.617 -7.448 -5.513 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.067 -8.497 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.463 -9.530 -3.979 1.00 0.00 H new ATOM 0 HG SER A 84 -3.251 -7.130 -2.987 1.00 0.00 H new ATOM 303 N GLU A 85 -7.588 -8.163 -4.631 1.00 0.00 N ATOM 304 CA GLU A 85 -8.792 -8.872 -4.990 1.00 0.00 C ATOM 305 C GLU A 85 -9.438 -8.331 -6.258 1.00 0.00 C ATOM 306 O GLU A 85 -9.892 -9.103 -7.096 1.00 0.00 O ATOM 307 CB GLU A 85 -9.778 -8.800 -3.860 1.00 0.00 C ATOM 308 CG GLU A 85 -9.301 -9.445 -2.579 1.00 0.00 C ATOM 309 CD GLU A 85 -9.139 -10.928 -2.710 1.00 0.00 C ATOM 310 OE1 GLU A 85 -10.154 -11.652 -2.677 1.00 0.00 O ATOM 311 OE2 GLU A 85 -8.000 -11.406 -2.852 1.00 0.00 O ATOM 0 H GLU A 85 -7.720 -7.430 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.507 -9.906 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.011 -7.754 -3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.706 -9.280 -4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.349 -9.003 -2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.011 -9.229 -1.781 1.00 0.00 H new ATOM 318 N ASP A 86 -9.489 -7.018 -6.408 1.00 0.00 N ATOM 319 CA ASP A 86 -10.205 -6.465 -7.562 1.00 0.00 C ATOM 320 C ASP A 86 -9.286 -5.715 -8.495 1.00 0.00 C ATOM 321 O ASP A 86 -9.635 -5.423 -9.639 1.00 0.00 O ATOM 322 CB ASP A 86 -11.359 -5.581 -7.107 1.00 0.00 C ATOM 323 CG ASP A 86 -12.411 -5.408 -8.174 1.00 0.00 C ATOM 324 OD1 ASP A 86 -13.226 -6.339 -8.360 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.459 -4.356 -8.826 1.00 0.00 O ATOM 0 H ASP A 86 -9.066 -6.335 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.613 -7.306 -8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.816 -6.015 -6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.972 -4.603 -6.821 1.00 0.00 H new ATOM 330 N GLY A 87 -8.105 -5.394 -8.014 1.00 0.00 N ATOM 331 CA GLY A 87 -7.120 -4.736 -8.859 1.00 0.00 C ATOM 332 C GLY A 87 -7.340 -3.244 -9.020 1.00 0.00 C ATOM 333 O GLY A 87 -6.671 -2.595 -9.821 1.00 0.00 O ATOM 0 H GLY A 87 -7.801 -5.573 -7.057 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.128 -4.903 -8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.132 -5.203 -9.844 1.00 0.00 H new ATOM 337 N GLN A 88 -8.284 -2.704 -8.299 1.00 0.00 N ATOM 338 CA GLN A 88 -8.516 -1.262 -8.339 1.00 0.00 C ATOM 339 C GLN A 88 -7.690 -0.597 -7.250 1.00 0.00 C ATOM 340 O GLN A 88 -7.246 -1.271 -6.310 1.00 0.00 O ATOM 341 CB GLN A 88 -9.994 -0.931 -8.141 1.00 0.00 C ATOM 342 CG GLN A 88 -10.933 -1.582 -9.141 1.00 0.00 C ATOM 343 CD GLN A 88 -10.667 -1.160 -10.569 1.00 0.00 C ATOM 344 OE1 GLN A 88 -11.219 -0.172 -11.050 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.858 -1.904 -11.262 1.00 0.00 N ATOM 0 H GLN A 88 -8.906 -3.223 -7.679 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.218 -0.889 -9.319 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.288 -1.235 -7.137 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.120 0.150 -8.196 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.840 -2.665 -9.066 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.961 -1.332 -8.880 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.417 -2.717 -10.831 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.664 -1.675 -12.237 1.00 0.00 H new ATOM 354 N CYS A 89 -7.484 0.689 -7.363 1.00 0.00 N ATOM 355 CA CYS A 89 -6.715 1.422 -6.378 1.00 0.00 C ATOM 356 C CYS A 89 -7.657 1.963 -5.306 1.00 0.00 C ATOM 357 O CYS A 89 -8.735 2.471 -5.620 1.00 0.00 O ATOM 358 CB CYS A 89 -5.971 2.588 -7.048 1.00 0.00 C ATOM 359 SG CYS A 89 -4.906 2.113 -8.437 1.00 0.00 S ATOM 0 H CYS A 89 -7.839 1.258 -8.131 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.984 0.754 -5.923 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.704 3.313 -7.402 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -5.362 3.091 -6.297 1.00 0.00 H new ATOM 0 HG CYS A 89 -4.332 3.172 -8.926 1.00 0.00 H new ATOM 365 N TYR A 90 -7.263 1.826 -4.060 1.00 0.00 N ATOM 366 CA TYR A 90 -8.032 2.305 -2.926 1.00 0.00 C ATOM 367 C TYR A 90 -7.109 2.977 -1.940 1.00 0.00 C ATOM 368 O TYR A 90 -5.904 2.705 -1.941 1.00 0.00 O ATOM 369 CB TYR A 90 -8.746 1.159 -2.238 1.00 0.00 C ATOM 370 CG TYR A 90 -9.792 0.477 -3.080 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.460 -0.577 -3.920 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.108 0.876 -3.022 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.411 -1.211 -4.679 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.075 0.244 -3.780 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.718 -0.798 -4.608 1.00 0.00 C ATOM 376 OH TYR A 90 -12.677 -1.433 -5.365 1.00 0.00 O ATOM 0 H TYR A 90 -6.387 1.373 -3.799 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.775 3.015 -3.288 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.007 0.419 -1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.217 1.535 -1.330 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.432 -0.905 -3.977 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.389 1.694 -2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.133 -2.029 -5.327 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.105 0.565 -3.724 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.551 -1.021 -5.199 1.00 0.00 H new ATOM 386 N GLU A 91 -7.653 3.839 -1.113 1.00 0.00 N ATOM 387 CA GLU A 91 -6.855 4.573 -0.137 1.00 0.00 C ATOM 388 C GLU A 91 -6.498 3.664 1.021 1.00 0.00 C ATOM 389 O GLU A 91 -7.376 3.087 1.669 1.00 0.00 O ATOM 390 CB GLU A 91 -7.597 5.799 0.388 1.00 0.00 C ATOM 391 CG GLU A 91 -6.743 6.680 1.314 1.00 0.00 C ATOM 392 CD GLU A 91 -7.478 7.884 1.858 1.00 0.00 C ATOM 393 OE1 GLU A 91 -8.186 7.758 2.883 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.357 8.985 1.281 1.00 0.00 O ATOM 0 H GLU A 91 -8.650 4.055 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.948 4.914 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.938 6.397 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.486 5.473 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.387 6.076 2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.863 7.019 0.768 1.00 0.00 H new ATOM 401 N ALA A 92 -5.239 3.542 1.277 1.00 0.00 N ATOM 402 CA ALA A 92 -4.755 2.689 2.318 1.00 0.00 C ATOM 403 C ALA A 92 -3.650 3.367 3.100 1.00 0.00 C ATOM 404 O ALA A 92 -2.948 4.230 2.579 1.00 0.00 O ATOM 405 CB ALA A 92 -4.262 1.400 1.720 1.00 0.00 C ATOM 0 H ALA A 92 -4.507 4.035 0.766 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.571 2.477 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.893 0.749 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.080 0.906 1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.455 1.610 1.018 1.00 0.00 H new ATOM 411 N GLU A 93 -3.515 3.004 4.340 1.00 0.00 N ATOM 412 CA GLU A 93 -2.488 3.553 5.181 1.00 0.00 C ATOM 413 C GLU A 93 -1.427 2.529 5.454 1.00 0.00 C ATOM 414 O GLU A 93 -1.726 1.370 5.712 1.00 0.00 O ATOM 415 CB GLU A 93 -3.059 4.068 6.487 1.00 0.00 C ATOM 416 CG GLU A 93 -2.015 4.630 7.432 1.00 0.00 C ATOM 417 CD GLU A 93 -2.624 5.335 8.591 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.930 6.527 8.459 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.811 4.725 9.653 1.00 0.00 O ATOM 0 H GLU A 93 -4.113 2.318 4.800 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.042 4.394 4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.794 4.843 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.588 3.257 6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.382 3.820 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.370 5.320 6.888 1.00 0.00 H new ATOM 426 N ILE A 94 -0.213 2.960 5.363 1.00 0.00 N ATOM 427 CA ILE A 94 0.942 2.137 5.637 1.00 0.00 C ATOM 428 C ILE A 94 1.093 1.900 7.124 1.00 0.00 C ATOM 429 O ILE A 94 1.290 2.837 7.900 1.00 0.00 O ATOM 430 CB ILE A 94 2.205 2.806 5.101 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.036 3.059 3.616 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.425 1.931 5.360 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.061 3.976 3.039 1.00 0.00 C ATOM 0 H ILE A 94 0.020 3.915 5.091 1.00 0.00 H new ATOM 0 HA ILE A 94 0.798 1.178 5.139 1.00 0.00 H new ATOM 0 HB ILE A 94 2.360 3.755 5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.077 2.106 3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.046 3.479 3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.316 2.424 4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.537 1.772 6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.296 0.970 4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.873 4.107 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.007 4.943 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.053 3.549 3.182 1.00 0.00 H new ATOM 445 N GLU A 95 1.020 0.655 7.489 1.00 0.00 N ATOM 446 CA GLU A 95 1.137 0.222 8.858 1.00 0.00 C ATOM 447 C GLU A 95 2.570 -0.175 9.157 1.00 0.00 C ATOM 448 O GLU A 95 3.087 0.073 10.250 1.00 0.00 O ATOM 449 CB GLU A 95 0.228 -0.974 9.064 1.00 0.00 C ATOM 450 CG GLU A 95 -1.243 -0.667 8.906 1.00 0.00 C ATOM 451 CD GLU A 95 -1.862 -0.055 10.141 1.00 0.00 C ATOM 452 OE1 GLU A 95 -2.323 -0.823 11.028 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.917 1.184 10.257 1.00 0.00 O ATOM 0 H GLU A 95 0.874 -0.110 6.830 1.00 0.00 H new ATOM 0 HA GLU A 95 0.851 1.034 9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.504 -1.753 8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.398 -1.378 10.062 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.377 0.014 8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.774 -1.586 8.659 1.00 0.00 H new ATOM 460 N GLU A 96 3.215 -0.772 8.179 1.00 0.00 N ATOM 461 CA GLU A 96 4.546 -1.258 8.318 1.00 0.00 C ATOM 462 C GLU A 96 5.232 -1.261 6.955 1.00 0.00 C ATOM 463 O GLU A 96 4.565 -1.381 5.940 1.00 0.00 O ATOM 464 CB GLU A 96 4.499 -2.677 8.902 1.00 0.00 C ATOM 465 CG GLU A 96 5.830 -3.377 8.927 1.00 0.00 C ATOM 466 CD GLU A 96 6.850 -2.719 9.835 1.00 0.00 C ATOM 467 OE1 GLU A 96 7.149 -1.515 9.658 1.00 0.00 O ATOM 468 OE2 GLU A 96 7.342 -3.393 10.753 1.00 0.00 O ATOM 0 H GLU A 96 2.812 -0.930 7.255 1.00 0.00 H new ATOM 0 HA GLU A 96 5.114 -0.614 8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.108 -2.627 9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.798 -3.275 8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.682 -4.408 9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.230 -3.414 7.914 1.00 0.00 H new ATOM 475 N ILE A 97 6.540 -1.104 6.950 1.00 0.00 N ATOM 476 CA ILE A 97 7.332 -1.140 5.738 1.00 0.00 C ATOM 477 C ILE A 97 8.459 -2.144 5.907 1.00 0.00 C ATOM 478 O ILE A 97 9.026 -2.274 6.993 1.00 0.00 O ATOM 479 CB ILE A 97 7.959 0.243 5.435 1.00 0.00 C ATOM 480 CG1 ILE A 97 6.876 1.295 5.333 1.00 0.00 C ATOM 481 CG2 ILE A 97 8.797 0.212 4.143 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.407 2.670 5.146 1.00 0.00 C ATOM 0 H ILE A 97 7.088 -0.946 7.796 1.00 0.00 H new ATOM 0 HA ILE A 97 6.675 -1.421 4.915 1.00 0.00 H new ATOM 0 HB ILE A 97 8.627 0.496 6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.219 1.050 4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.267 1.268 6.237 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.222 1.199 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.602 -0.516 4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.161 -0.070 3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.578 3.374 5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.041 2.933 5.993 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.992 2.712 4.227 1.00 0.00 H new ATOM 494 N ASP A 98 8.749 -2.863 4.862 1.00 0.00 N ATOM 495 CA ASP A 98 9.866 -3.760 4.812 1.00 0.00 C ATOM 496 C ASP A 98 10.733 -3.300 3.679 1.00 0.00 C ATOM 497 O ASP A 98 10.424 -3.536 2.515 1.00 0.00 O ATOM 498 CB ASP A 98 9.421 -5.195 4.565 1.00 0.00 C ATOM 499 CG ASP A 98 10.587 -6.171 4.539 1.00 0.00 C ATOM 500 OD1 ASP A 98 11.192 -6.364 3.472 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.906 -6.770 5.590 1.00 0.00 O ATOM 0 H ASP A 98 8.203 -2.841 4.001 1.00 0.00 H new ATOM 0 HA ASP A 98 10.397 -3.749 5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.719 -5.493 5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.886 -5.248 3.617 1.00 0.00 H new ATOM 506 N GLU A 99 11.755 -2.564 4.004 1.00 0.00 N ATOM 507 CA GLU A 99 12.644 -2.004 3.006 1.00 0.00 C ATOM 508 C GLU A 99 13.432 -3.062 2.241 1.00 0.00 C ATOM 509 O GLU A 99 13.831 -2.831 1.100 1.00 0.00 O ATOM 510 CB GLU A 99 13.567 -0.976 3.621 1.00 0.00 C ATOM 511 CG GLU A 99 14.334 -1.464 4.837 1.00 0.00 C ATOM 512 CD GLU A 99 15.206 -0.395 5.433 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.665 0.567 6.015 1.00 0.00 O ATOM 514 OE2 GLU A 99 16.462 -0.486 5.320 1.00 0.00 O ATOM 0 H GLU A 99 12.003 -2.330 4.965 1.00 0.00 H new ATOM 0 HA GLU A 99 12.009 -1.509 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.280 -0.649 2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.980 -0.103 3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.629 -1.816 5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 99 14.951 -2.317 4.555 1.00 0.00 H new ATOM 521 N GLU A 100 13.627 -4.217 2.854 1.00 0.00 N ATOM 522 CA GLU A 100 14.383 -5.299 2.249 1.00 0.00 C ATOM 523 C GLU A 100 13.702 -5.797 0.982 1.00 0.00 C ATOM 524 O GLU A 100 14.345 -5.966 -0.061 1.00 0.00 O ATOM 525 CB GLU A 100 14.553 -6.430 3.253 1.00 0.00 C ATOM 526 CG GLU A 100 15.312 -7.625 2.731 1.00 0.00 C ATOM 527 CD GLU A 100 15.521 -8.651 3.793 1.00 0.00 C ATOM 528 OE1 GLU A 100 14.590 -9.437 4.080 1.00 0.00 O ATOM 529 OE2 GLU A 100 16.610 -8.683 4.377 1.00 0.00 O ATOM 0 H GLU A 100 13.266 -4.430 3.784 1.00 0.00 H new ATOM 0 HA GLU A 100 15.368 -4.925 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 100 15.070 -6.044 4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.567 -6.758 3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.765 -8.068 1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.278 -7.302 2.342 1.00 0.00 H new ATOM 536 N ASN A 101 12.417 -6.007 1.066 1.00 0.00 N ATOM 537 CA ASN A 101 11.642 -6.451 -0.074 1.00 0.00 C ATOM 538 C ASN A 101 11.043 -5.276 -0.789 1.00 0.00 C ATOM 539 O ASN A 101 10.587 -5.390 -1.919 1.00 0.00 O ATOM 540 CB ASN A 101 10.527 -7.410 0.352 1.00 0.00 C ATOM 541 CG ASN A 101 11.037 -8.711 0.930 1.00 0.00 C ATOM 542 OD1 ASN A 101 11.223 -9.686 0.219 1.00 0.00 O ATOM 543 ND2 ASN A 101 11.282 -8.731 2.204 1.00 0.00 N ATOM 0 H ASN A 101 11.874 -5.878 1.920 1.00 0.00 H new ATOM 0 HA ASN A 101 12.318 -6.980 -0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.897 -6.916 1.091 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.897 -7.627 -0.510 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.642 -9.580 2.641 1.00 0.00 H new ATOM 0 HD22 ASN A 101 11.115 -7.898 2.769 1.00 0.00 H new ATOM 550 N GLY A 102 11.073 -4.136 -0.142 1.00 0.00 N ATOM 551 CA GLY A 102 10.450 -2.960 -0.689 1.00 0.00 C ATOM 552 C GLY A 102 8.944 -3.112 -0.691 1.00 0.00 C ATOM 553 O GLY A 102 8.265 -2.742 -1.650 1.00 0.00 O ATOM 0 H GLY A 102 11.523 -4.000 0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.733 -2.085 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.806 -2.792 -1.705 1.00 0.00 H new ATOM 557 N THR A 103 8.423 -3.667 0.366 1.00 0.00 N ATOM 558 CA THR A 103 7.024 -3.909 0.476 1.00 0.00 C ATOM 559 C THR A 103 6.488 -3.225 1.708 1.00 0.00 C ATOM 560 O THR A 103 7.236 -2.946 2.646 1.00 0.00 O ATOM 561 CB THR A 103 6.739 -5.426 0.543 1.00 0.00 C ATOM 562 OG1 THR A 103 7.515 -6.009 1.604 1.00 0.00 O ATOM 563 CG2 THR A 103 7.101 -6.109 -0.764 1.00 0.00 C ATOM 0 H THR A 103 8.965 -3.964 1.177 1.00 0.00 H new ATOM 0 HA THR A 103 6.526 -3.506 -0.406 1.00 0.00 H new ATOM 0 HB THR A 103 5.674 -5.566 0.727 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.335 -6.971 1.650 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.890 -7.176 -0.688 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.512 -5.680 -1.574 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.161 -5.963 -0.969 1.00 0.00 H new ATOM 571 N ALA A 104 5.233 -2.927 1.711 1.00 0.00 N ATOM 572 CA ALA A 104 4.633 -2.318 2.853 1.00 0.00 C ATOM 573 C ALA A 104 3.297 -2.935 3.156 1.00 0.00 C ATOM 574 O ALA A 104 2.565 -3.352 2.253 1.00 0.00 O ATOM 575 CB ALA A 104 4.496 -0.828 2.650 1.00 0.00 C ATOM 0 H ALA A 104 4.598 -3.096 0.931 1.00 0.00 H new ATOM 0 HA ALA A 104 5.286 -2.492 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.036 -0.381 3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.482 -0.390 2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.871 -0.636 1.778 1.00 0.00 H new ATOM 581 N ALA A 105 3.000 -3.023 4.410 1.00 0.00 N ATOM 582 CA ALA A 105 1.741 -3.507 4.852 1.00 0.00 C ATOM 583 C ALA A 105 0.842 -2.342 5.006 1.00 0.00 C ATOM 584 O ALA A 105 1.141 -1.405 5.750 1.00 0.00 O ATOM 585 CB ALA A 105 1.863 -4.264 6.143 1.00 0.00 C ATOM 0 H ALA A 105 3.634 -2.757 5.163 1.00 0.00 H new ATOM 0 HA ALA A 105 1.337 -4.207 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 105 0.880 -4.619 6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.529 -5.115 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.269 -3.608 6.913 1.00 0.00 H new ATOM 591 N ILE A 106 -0.224 -2.376 4.309 1.00 0.00 N ATOM 592 CA ILE A 106 -1.129 -1.281 4.277 1.00 0.00 C ATOM 593 C ILE A 106 -2.516 -1.721 4.668 1.00 0.00 C ATOM 594 O ILE A 106 -2.871 -2.886 4.525 1.00 0.00 O ATOM 595 CB ILE A 106 -1.123 -0.579 2.874 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.378 -1.563 1.726 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.164 0.185 2.636 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.828 -1.837 1.446 1.00 0.00 C ATOM 0 H ILE A 106 -0.504 -3.171 3.735 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.795 -0.546 5.009 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.949 0.132 2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.915 -1.172 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.882 -2.506 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.131 0.657 1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.280 0.951 3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.009 -0.503 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.912 -2.543 0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.296 -2.261 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.329 -0.906 1.181 1.00 0.00 H new ATOM 610 N THR A 107 -3.261 -0.816 5.192 1.00 0.00 N ATOM 611 CA THR A 107 -4.609 -1.057 5.587 1.00 0.00 C ATOM 612 C THR A 107 -5.531 -0.087 4.867 1.00 0.00 C ATOM 613 O THR A 107 -5.374 1.128 4.978 1.00 0.00 O ATOM 614 CB THR A 107 -4.743 -0.929 7.109 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.827 -1.851 7.707 1.00 0.00 O ATOM 616 CG2 THR A 107 -6.153 -1.257 7.573 1.00 0.00 C ATOM 0 H THR A 107 -2.946 0.139 5.364 1.00 0.00 H new ATOM 0 HA THR A 107 -4.896 -2.072 5.312 1.00 0.00 H new ATOM 0 HB THR A 107 -4.526 0.098 7.402 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.868 -1.766 8.682 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.212 -1.156 8.657 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.859 -0.570 7.106 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.400 -2.280 7.290 1.00 0.00 H new ATOM 624 N PHE A 108 -6.450 -0.633 4.112 1.00 0.00 N ATOM 625 CA PHE A 108 -7.386 0.128 3.331 1.00 0.00 C ATOM 626 C PHE A 108 -8.322 0.887 4.246 1.00 0.00 C ATOM 627 O PHE A 108 -9.052 0.282 5.053 1.00 0.00 O ATOM 628 CB PHE A 108 -8.163 -0.795 2.396 1.00 0.00 C ATOM 629 CG PHE A 108 -7.295 -1.506 1.383 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.917 -0.861 0.220 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.861 -2.817 1.591 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.131 -1.493 -0.721 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.071 -3.456 0.649 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.708 -2.790 -0.510 1.00 0.00 C ATOM 0 H PHE A 108 -6.569 -1.642 4.023 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.843 0.849 2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.693 -1.538 2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.918 -0.211 1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.242 0.154 0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.144 -3.337 2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.846 -0.973 -1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.739 -4.470 0.818 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.094 -3.285 -1.248 1.00 0.00 H new ATOM 644 N ALA A 109 -8.280 2.196 4.130 1.00 0.00 N ATOM 645 CA ALA A 109 -9.044 3.089 4.971 1.00 0.00 C ATOM 646 C ALA A 109 -10.517 2.868 4.751 1.00 0.00 C ATOM 647 O ALA A 109 -10.963 2.695 3.615 1.00 0.00 O ATOM 648 CB ALA A 109 -8.669 4.537 4.686 1.00 0.00 C ATOM 0 H ALA A 109 -7.705 2.677 3.438 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.812 2.877 6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -9.253 5.197 5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.607 4.684 4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.878 4.768 3.641 1.00 0.00 H new ATOM 654 N GLY A 110 -11.247 2.794 5.821 1.00 0.00 N ATOM 655 CA GLY A 110 -12.653 2.586 5.734 1.00 0.00 C ATOM 656 C GLY A 110 -13.003 1.123 5.826 1.00 0.00 C ATOM 657 O GLY A 110 -13.789 0.723 6.679 1.00 0.00 O ATOM 0 H GLY A 110 -10.885 2.876 6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -13.153 3.131 6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.024 2.991 4.793 1.00 0.00 H new ATOM 661 N TYR A 111 -12.410 0.319 4.971 1.00 0.00 N ATOM 662 CA TYR A 111 -12.695 -1.111 4.952 1.00 0.00 C ATOM 663 C TYR A 111 -12.037 -1.812 6.120 1.00 0.00 C ATOM 664 O TYR A 111 -12.639 -2.660 6.770 1.00 0.00 O ATOM 665 CB TYR A 111 -12.228 -1.740 3.646 1.00 0.00 C ATOM 666 CG TYR A 111 -12.753 -1.037 2.436 1.00 0.00 C ATOM 667 CD1 TYR A 111 -14.038 -1.262 1.999 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.959 -0.146 1.734 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.535 -0.621 0.896 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.435 0.506 0.621 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.731 0.266 0.200 1.00 0.00 C ATOM 672 OH TYR A 111 -14.242 0.936 -0.898 1.00 0.00 O ATOM 0 H TYR A 111 -11.727 0.624 4.278 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.775 -1.231 5.036 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.138 -1.736 3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.544 -2.783 3.619 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.666 -1.957 2.536 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.948 0.040 2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.548 -0.806 0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.805 1.197 0.082 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.675 0.764 -1.679 1.00 0.00 H new ATOM 682 N GLY A 112 -10.803 -1.460 6.382 1.00 0.00 N ATOM 683 CA GLY A 112 -10.092 -2.062 7.471 1.00 0.00 C ATOM 684 C GLY A 112 -9.330 -3.285 7.043 1.00 0.00 C ATOM 685 O GLY A 112 -8.755 -3.983 7.870 1.00 0.00 O ATOM 0 H GLY A 112 -10.276 -0.763 5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.400 -1.335 7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.796 -2.331 8.258 1.00 0.00 H new ATOM 689 N ASN A 113 -9.337 -3.568 5.755 1.00 0.00 N ATOM 690 CA ASN A 113 -8.579 -4.696 5.238 1.00 0.00 C ATOM 691 C ASN A 113 -7.135 -4.336 5.169 1.00 0.00 C ATOM 692 O ASN A 113 -6.794 -3.176 4.963 1.00 0.00 O ATOM 693 CB ASN A 113 -9.023 -5.139 3.855 1.00 0.00 C ATOM 694 CG ASN A 113 -10.359 -5.838 3.793 1.00 0.00 C ATOM 695 OD1 ASN A 113 -11.299 -5.554 4.543 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.450 -6.761 2.895 1.00 0.00 N ATOM 0 H ASN A 113 -9.853 -3.040 5.051 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.757 -5.524 5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -9.061 -4.263 3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -8.264 -5.806 3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.319 -7.283 2.787 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.653 -6.968 2.294 1.00 0.00 H new ATOM 703 N ALA A 114 -6.296 -5.299 5.293 1.00 0.00 N ATOM 704 CA ALA A 114 -4.878 -5.059 5.300 1.00 0.00 C ATOM 705 C ALA A 114 -4.178 -6.103 4.493 1.00 0.00 C ATOM 706 O ALA A 114 -4.567 -7.271 4.520 1.00 0.00 O ATOM 707 CB ALA A 114 -4.339 -5.030 6.719 1.00 0.00 C ATOM 0 H ALA A 114 -6.561 -6.279 5.393 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.691 -4.083 4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.265 -4.847 6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.831 -4.235 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.534 -5.988 7.202 1.00 0.00 H new ATOM 713 N GLU A 115 -3.188 -5.691 3.752 1.00 0.00 N ATOM 714 CA GLU A 115 -2.425 -6.593 2.943 1.00 0.00 C ATOM 715 C GLU A 115 -1.016 -6.047 2.773 1.00 0.00 C ATOM 716 O GLU A 115 -0.771 -4.849 3.028 1.00 0.00 O ATOM 717 CB GLU A 115 -3.096 -6.815 1.571 1.00 0.00 C ATOM 718 CG GLU A 115 -3.177 -5.598 0.672 1.00 0.00 C ATOM 719 CD GLU A 115 -3.644 -5.982 -0.727 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.863 -6.105 -0.978 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.779 -6.238 -1.594 1.00 0.00 O ATOM 0 H GLU A 115 -2.888 -4.718 3.693 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.378 -7.561 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.551 -7.597 1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.107 -7.188 1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.865 -4.869 1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.200 -5.119 0.614 1.00 0.00 H new ATOM 728 N VAL A 116 -0.098 -6.898 2.391 1.00 0.00 N ATOM 729 CA VAL A 116 1.256 -6.483 2.132 1.00 0.00 C ATOM 730 C VAL A 116 1.419 -6.304 0.640 1.00 0.00 C ATOM 731 O VAL A 116 1.215 -7.237 -0.133 1.00 0.00 O ATOM 732 CB VAL A 116 2.305 -7.497 2.664 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.721 -7.023 2.351 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.143 -7.698 4.165 1.00 0.00 C ATOM 0 H VAL A 116 -0.268 -7.894 2.251 1.00 0.00 H new ATOM 0 HA VAL A 116 1.435 -5.547 2.661 1.00 0.00 H new ATOM 0 HB VAL A 116 2.137 -8.450 2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.440 -7.748 2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.842 -6.925 1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.894 -6.057 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.887 -8.412 4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.282 -6.746 4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.144 -8.081 4.375 1.00 0.00 H new ATOM 744 N THR A 117 1.766 -5.127 0.246 1.00 0.00 N ATOM 745 CA THR A 117 1.876 -4.795 -1.137 1.00 0.00 C ATOM 746 C THR A 117 3.173 -4.009 -1.367 1.00 0.00 C ATOM 747 O THR A 117 3.605 -3.244 -0.494 1.00 0.00 O ATOM 748 CB THR A 117 0.612 -4.015 -1.627 1.00 0.00 C ATOM 749 OG1 THR A 117 0.606 -3.865 -3.053 1.00 0.00 O ATOM 750 CG2 THR A 117 0.514 -2.657 -0.976 1.00 0.00 C ATOM 0 H THR A 117 1.984 -4.358 0.880 1.00 0.00 H new ATOM 0 HA THR A 117 1.923 -5.708 -1.731 1.00 0.00 H new ATOM 0 HB THR A 117 -0.254 -4.608 -1.334 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.197 -3.375 -3.327 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.376 -2.143 -1.339 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.448 -2.776 0.105 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.399 -2.070 -1.223 1.00 0.00 H new ATOM 758 N PRO A 118 3.866 -4.261 -2.479 1.00 0.00 N ATOM 759 CA PRO A 118 5.112 -3.595 -2.787 1.00 0.00 C ATOM 760 C PRO A 118 4.923 -2.097 -2.948 1.00 0.00 C ATOM 761 O PRO A 118 3.868 -1.635 -3.399 1.00 0.00 O ATOM 762 CB PRO A 118 5.552 -4.222 -4.104 1.00 0.00 C ATOM 763 CG PRO A 118 4.309 -4.741 -4.701 1.00 0.00 C ATOM 764 CD PRO A 118 3.449 -5.162 -3.552 1.00 0.00 C ATOM 0 HA PRO A 118 5.846 -3.715 -1.990 1.00 0.00 H new ATOM 0 HB2 PRO A 118 6.027 -3.487 -4.754 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.277 -5.020 -3.941 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.814 -3.977 -5.300 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.515 -5.582 -5.364 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.389 -5.053 -3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.612 -6.207 -3.288 1.00 0.00 H new ATOM 772 N LEU A 119 5.941 -1.356 -2.581 1.00 0.00 N ATOM 773 CA LEU A 119 5.958 0.109 -2.666 1.00 0.00 C ATOM 774 C LEU A 119 5.659 0.591 -4.083 1.00 0.00 C ATOM 775 O LEU A 119 5.182 1.700 -4.278 1.00 0.00 O ATOM 776 CB LEU A 119 7.309 0.666 -2.210 1.00 0.00 C ATOM 777 CG LEU A 119 7.800 0.217 -0.831 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.089 0.908 -0.477 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.756 0.445 0.243 1.00 0.00 C ATOM 0 H LEU A 119 6.804 -1.749 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 119 5.176 0.478 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.061 0.386 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.249 1.754 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 119 7.982 -0.856 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.422 0.576 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.849 0.663 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.931 1.986 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.145 0.113 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.515 1.507 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.856 -0.120 0.001 1.00 0.00 H new ATOM 791 N LEU A 120 5.966 -0.253 -5.063 1.00 0.00 N ATOM 792 CA LEU A 120 5.706 0.036 -6.470 1.00 0.00 C ATOM 793 C LEU A 120 4.200 0.128 -6.742 1.00 0.00 C ATOM 794 O LEU A 120 3.756 0.833 -7.654 1.00 0.00 O ATOM 795 CB LEU A 120 6.399 -1.022 -7.375 1.00 0.00 C ATOM 796 CG LEU A 120 5.807 -2.444 -7.433 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.740 -2.537 -8.502 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.894 -3.480 -7.669 1.00 0.00 C ATOM 0 H LEU A 120 6.404 -1.160 -4.903 1.00 0.00 H new ATOM 0 HA LEU A 120 6.132 1.009 -6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.415 -0.629 -8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.436 -1.108 -7.050 1.00 0.00 H new ATOM 0 HG LEU A 120 5.346 -2.654 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.336 -3.549 -8.526 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.939 -1.832 -8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.175 -2.297 -9.472 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.448 -4.474 -7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.395 -3.273 -8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.620 -3.438 -6.857 1.00 0.00 H new ATOM 810 N ASN A 121 3.420 -0.565 -5.924 1.00 0.00 N ATOM 811 CA ASN A 121 1.973 -0.594 -6.073 1.00 0.00 C ATOM 812 C ASN A 121 1.346 0.528 -5.336 1.00 0.00 C ATOM 813 O ASN A 121 0.192 0.873 -5.577 1.00 0.00 O ATOM 814 CB ASN A 121 1.378 -1.918 -5.594 1.00 0.00 C ATOM 815 CG ASN A 121 1.507 -3.022 -6.595 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.539 -2.794 -7.796 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.530 -4.220 -6.120 1.00 0.00 N ATOM 0 H ASN A 121 3.770 -1.120 -5.143 1.00 0.00 H new ATOM 0 HA ASN A 121 1.761 -0.490 -7.137 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.871 -2.216 -4.669 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.324 -1.771 -5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.576 -5.019 -6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.502 -4.369 -5.111 1.00 0.00 H new ATOM 824 N LEU A 122 2.091 1.101 -4.434 1.00 0.00 N ATOM 825 CA LEU A 122 1.595 2.201 -3.676 1.00 0.00 C ATOM 826 C LEU A 122 1.736 3.459 -4.479 1.00 0.00 C ATOM 827 O LEU A 122 2.820 3.791 -4.975 1.00 0.00 O ATOM 828 CB LEU A 122 2.343 2.324 -2.355 1.00 0.00 C ATOM 829 CG LEU A 122 2.255 1.119 -1.432 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.012 1.358 -0.152 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.817 0.787 -1.135 1.00 0.00 C ATOM 0 H LEU A 122 3.045 0.820 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 122 0.542 2.034 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.394 2.517 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.961 3.195 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 122 2.713 0.272 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.931 0.479 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.061 1.546 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.592 2.222 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.772 -0.078 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.339 1.639 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.297 0.559 -2.065 1.00 0.00 H new ATOM 843 N LYS A 123 0.655 4.137 -4.623 1.00 0.00 N ATOM 844 CA LYS A 123 0.604 5.360 -5.356 1.00 0.00 C ATOM 845 C LYS A 123 0.269 6.469 -4.375 1.00 0.00 C ATOM 846 O LYS A 123 -0.368 6.206 -3.359 1.00 0.00 O ATOM 847 CB LYS A 123 -0.470 5.263 -6.458 1.00 0.00 C ATOM 848 CG LYS A 123 -0.369 4.007 -7.333 1.00 0.00 C ATOM 849 CD LYS A 123 0.971 3.891 -8.060 1.00 0.00 C ATOM 850 CE LYS A 123 1.068 2.562 -8.803 1.00 0.00 C ATOM 851 NZ LYS A 123 2.348 2.413 -9.538 1.00 0.00 N ATOM 0 H LYS A 123 -0.242 3.855 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 123 1.559 5.565 -5.839 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.455 5.288 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.398 6.143 -7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -0.516 3.124 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.175 4.017 -8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 123 1.081 4.716 -8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.788 3.973 -7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 123 0.964 1.743 -8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 123 0.238 2.481 -9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 2.171 1.951 -10.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 2.767 3.351 -9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 3.004 1.832 -8.978 1.00 0.00 H new ATOM 865 N PRO A 124 0.705 7.694 -4.621 1.00 0.00 N ATOM 866 CA PRO A 124 0.392 8.814 -3.745 1.00 0.00 C ATOM 867 C PRO A 124 -1.091 9.176 -3.812 1.00 0.00 C ATOM 868 O PRO A 124 -1.736 9.000 -4.857 1.00 0.00 O ATOM 869 CB PRO A 124 1.262 9.952 -4.286 1.00 0.00 C ATOM 870 CG PRO A 124 1.529 9.592 -5.701 1.00 0.00 C ATOM 871 CD PRO A 124 1.544 8.093 -5.753 1.00 0.00 C ATOM 0 HA PRO A 124 0.589 8.593 -2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.748 10.911 -4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.189 10.043 -3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.759 9.997 -6.358 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.482 10.003 -6.035 1.00 0.00 H new ATOM 0 HD2 PRO A 124 1.145 7.722 -6.697 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.556 7.700 -5.658 1.00 0.00 H new ATOM 879 N VAL A 125 -1.644 9.642 -2.713 1.00 0.00 N ATOM 880 CA VAL A 125 -3.036 10.008 -2.704 1.00 0.00 C ATOM 881 C VAL A 125 -3.205 11.370 -3.304 1.00 0.00 C ATOM 882 O VAL A 125 -3.047 12.398 -2.626 1.00 0.00 O ATOM 883 CB VAL A 125 -3.706 9.986 -1.310 1.00 0.00 C ATOM 884 CG1 VAL A 125 -5.195 10.297 -1.438 1.00 0.00 C ATOM 885 CG2 VAL A 125 -3.509 8.659 -0.623 1.00 0.00 C ATOM 0 H VAL A 125 -1.156 9.774 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.539 9.242 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 125 -3.230 10.752 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.657 10.279 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -5.324 11.285 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -5.669 9.550 -2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -3.993 8.680 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.948 7.867 -1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -2.443 8.470 -0.496 1.00 0.00 H new