USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 369 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= -0.446 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.9 X(o=-2.3,f=-2.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= 1.27 (180deg=1.05) USER MOD Single : A 79 CYS SG : rot -11:sc= -1.98! USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.0796 USER MOD Single : A 88 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.16) USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0266 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.12 K(o=1.1,f=-0.24) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 111 TYR OH : rot -129:sc= 0.0988 USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 111 N TRP A 73 8.532 5.838 -0.840 1.00 0.00 N ATOM 112 CA TRP A 73 7.345 6.134 -0.076 1.00 0.00 C ATOM 113 C TRP A 73 7.707 6.647 1.290 1.00 0.00 C ATOM 114 O TRP A 73 8.788 6.349 1.791 1.00 0.00 O ATOM 115 CB TRP A 73 6.470 4.911 0.046 1.00 0.00 C ATOM 116 CG TRP A 73 5.852 4.519 -1.242 1.00 0.00 C ATOM 117 CD1 TRP A 73 6.220 3.506 -2.050 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.773 5.176 -1.879 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.409 3.463 -3.149 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.512 4.489 -3.068 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.991 6.277 -1.545 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.503 4.871 -3.933 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.995 6.656 -2.393 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.755 5.956 -3.577 1.00 0.00 C ATOM 0 HA TRP A 73 6.789 6.909 -0.604 1.00 0.00 H new ATOM 0 HB2 TRP A 73 7.065 4.080 0.427 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.685 5.103 0.778 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.037 2.827 -1.857 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.465 2.779 -3.904 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.171 6.821 -0.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.315 4.334 -4.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.382 7.510 -2.146 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.957 6.281 -4.228 1.00 0.00 H new ATOM 135 N LYS A 74 6.848 7.457 1.869 1.00 0.00 N ATOM 136 CA LYS A 74 7.080 7.960 3.200 1.00 0.00 C ATOM 137 C LYS A 74 5.847 7.762 4.065 1.00 0.00 C ATOM 138 O LYS A 74 4.734 7.630 3.550 1.00 0.00 O ATOM 139 CB LYS A 74 7.465 9.439 3.203 1.00 0.00 C ATOM 140 CG LYS A 74 6.384 10.370 2.660 1.00 0.00 C ATOM 141 CD LYS A 74 6.651 11.817 3.025 1.00 0.00 C ATOM 142 CE LYS A 74 6.555 12.029 4.537 1.00 0.00 C ATOM 143 NZ LYS A 74 6.750 13.436 4.920 1.00 0.00 N ATOM 0 H LYS A 74 5.983 7.780 1.436 1.00 0.00 H new ATOM 0 HA LYS A 74 7.917 7.393 3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.706 9.738 4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.371 9.568 2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.332 10.273 1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.413 10.069 3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.642 12.107 2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.933 12.462 2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.579 11.692 4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.303 11.413 5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.676 13.528 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.691 13.753 4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.021 14.023 4.467 1.00 0.00 H new ATOM 157 N VAL A 75 6.065 7.701 5.354 1.00 0.00 N ATOM 158 CA VAL A 75 5.004 7.599 6.333 1.00 0.00 C ATOM 159 C VAL A 75 4.141 8.860 6.287 1.00 0.00 C ATOM 160 O VAL A 75 4.667 9.974 6.224 1.00 0.00 O ATOM 161 CB VAL A 75 5.596 7.416 7.759 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.503 7.383 8.812 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.415 6.140 7.831 1.00 0.00 C ATOM 0 H VAL A 75 6.999 7.721 5.763 1.00 0.00 H new ATOM 0 HA VAL A 75 4.390 6.730 6.098 1.00 0.00 H new ATOM 0 HB VAL A 75 6.241 8.271 7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.951 7.254 9.797 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.945 8.319 8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.827 6.552 8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.823 6.026 8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.779 5.286 7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.232 6.191 7.111 1.00 0.00 H new ATOM 173 N GLY A 76 2.843 8.684 6.295 1.00 0.00 N ATOM 174 CA GLY A 76 1.945 9.809 6.268 1.00 0.00 C ATOM 175 C GLY A 76 1.502 10.149 4.871 1.00 0.00 C ATOM 176 O GLY A 76 0.765 11.113 4.661 1.00 0.00 O ATOM 0 H GLY A 76 2.386 7.773 6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.071 9.589 6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.436 10.675 6.712 1.00 0.00 H new ATOM 180 N ASP A 77 1.941 9.369 3.917 1.00 0.00 N ATOM 181 CA ASP A 77 1.587 9.606 2.533 1.00 0.00 C ATOM 182 C ASP A 77 0.443 8.742 2.203 1.00 0.00 C ATOM 183 O ASP A 77 0.287 7.659 2.788 1.00 0.00 O ATOM 184 CB ASP A 77 2.702 9.186 1.622 1.00 0.00 C ATOM 185 CG ASP A 77 2.816 10.028 0.381 1.00 0.00 C ATOM 186 OD1 ASP A 77 2.010 9.884 -0.526 1.00 0.00 O ATOM 187 OD2 ASP A 77 3.758 10.851 0.288 1.00 0.00 O ATOM 0 H ASP A 77 2.546 8.562 4.069 1.00 0.00 H new ATOM 0 HA ASP A 77 1.371 10.667 2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.644 9.231 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.551 8.146 1.333 1.00 0.00 H new ATOM 192 N LYS A 78 -0.331 9.154 1.278 1.00 0.00 N ATOM 193 CA LYS A 78 -1.379 8.358 0.865 1.00 0.00 C ATOM 194 C LYS A 78 -1.095 7.756 -0.449 1.00 0.00 C ATOM 195 O LYS A 78 -0.642 8.413 -1.393 1.00 0.00 O ATOM 196 CB LYS A 78 -2.674 9.025 0.898 1.00 0.00 C ATOM 197 CG LYS A 78 -2.904 10.113 -0.050 1.00 0.00 C ATOM 198 CD LYS A 78 -4.326 10.392 0.064 1.00 0.00 C ATOM 199 CE LYS A 78 -4.814 11.453 -0.900 1.00 0.00 C ATOM 200 NZ LYS A 78 -6.275 11.637 -0.821 1.00 0.00 N ATOM 0 H LYS A 78 -0.245 10.049 0.797 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.461 7.554 1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.444 8.271 0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.822 9.420 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.305 10.990 0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.636 9.820 -1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.884 9.471 -0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.545 10.710 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.317 12.398 -0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.538 11.175 -1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.527 12.577 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.748 10.906 -1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.582 11.557 0.169 1.00 0.00 H new ATOM 214 N CYS A 79 -1.310 6.530 -0.500 1.00 0.00 N ATOM 215 CA CYS A 79 -1.048 5.760 -1.648 1.00 0.00 C ATOM 216 C CYS A 79 -2.253 4.930 -2.011 1.00 0.00 C ATOM 217 O CYS A 79 -3.276 4.942 -1.316 1.00 0.00 O ATOM 218 CB CYS A 79 0.142 4.858 -1.358 1.00 0.00 C ATOM 219 SG CYS A 79 -0.062 3.855 0.137 1.00 0.00 S ATOM 0 H CYS A 79 -1.690 5.993 0.280 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.825 6.415 -2.490 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.304 4.198 -2.210 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.037 5.472 -1.255 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.092 4.280 0.807 1.00 0.00 H new ATOM 225 N MET A 80 -2.141 4.260 -3.099 1.00 0.00 N ATOM 226 CA MET A 80 -3.113 3.323 -3.535 1.00 0.00 C ATOM 227 C MET A 80 -2.605 1.965 -3.232 1.00 0.00 C ATOM 228 O MET A 80 -1.471 1.628 -3.595 1.00 0.00 O ATOM 229 CB MET A 80 -3.365 3.487 -5.022 1.00 0.00 C ATOM 230 CG MET A 80 -4.532 4.363 -5.313 1.00 0.00 C ATOM 231 SD MET A 80 -6.047 3.572 -4.807 1.00 0.00 S ATOM 232 CE MET A 80 -7.158 4.936 -4.917 1.00 0.00 C ATOM 0 H MET A 80 -1.346 4.351 -3.731 1.00 0.00 H new ATOM 0 HA MET A 80 -4.060 3.486 -3.020 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.475 3.905 -5.493 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.531 2.507 -5.469 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.420 5.314 -4.792 1.00 0.00 H new ATOM 0 HG3 MET A 80 -4.570 4.586 -6.379 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.159 4.613 -4.632 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.828 5.729 -4.246 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.175 5.310 -5.941 1.00 0.00 H new ATOM 242 N ALA A 81 -3.408 1.192 -2.588 1.00 0.00 N ATOM 243 CA ALA A 81 -3.013 -0.122 -2.172 1.00 0.00 C ATOM 244 C ALA A 81 -4.019 -1.123 -2.632 1.00 0.00 C ATOM 245 O ALA A 81 -5.211 -0.838 -2.665 1.00 0.00 O ATOM 246 CB ALA A 81 -2.867 -0.176 -0.666 1.00 0.00 C ATOM 0 H ALA A 81 -4.361 1.447 -2.331 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.048 -0.359 -2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.567 -1.180 -0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.109 0.540 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.820 0.073 -0.199 1.00 0.00 H new ATOM 252 N VAL A 82 -3.550 -2.277 -2.995 1.00 0.00 N ATOM 253 CA VAL A 82 -4.410 -3.328 -3.460 1.00 0.00 C ATOM 254 C VAL A 82 -4.886 -4.130 -2.275 1.00 0.00 C ATOM 255 O VAL A 82 -4.086 -4.760 -1.594 1.00 0.00 O ATOM 256 CB VAL A 82 -3.679 -4.256 -4.468 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.608 -5.339 -4.997 1.00 0.00 C ATOM 258 CG2 VAL A 82 -3.104 -3.445 -5.616 1.00 0.00 C ATOM 0 H VAL A 82 -2.559 -2.520 -2.978 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.258 -2.881 -3.978 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.861 -4.745 -3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.066 -5.972 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.969 -5.946 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.455 -4.876 -5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.595 -4.111 -6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.910 -2.925 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.393 -2.716 -5.226 1.00 0.00 H new ATOM 268 N TRP A 83 -6.169 -4.071 -2.020 1.00 0.00 N ATOM 269 CA TRP A 83 -6.777 -4.780 -0.927 1.00 0.00 C ATOM 270 C TRP A 83 -6.717 -6.214 -1.211 1.00 0.00 C ATOM 271 O TRP A 83 -7.303 -6.700 -2.172 1.00 0.00 O ATOM 272 CB TRP A 83 -8.220 -4.327 -0.704 1.00 0.00 C ATOM 273 CG TRP A 83 -8.801 -4.751 0.624 1.00 0.00 C ATOM 274 CD1 TRP A 83 -8.118 -4.902 1.784 1.00 0.00 C ATOM 275 CD2 TRP A 83 -10.178 -5.020 0.942 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.952 -5.272 2.790 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.220 -5.341 2.315 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.372 -5.027 0.217 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.399 -5.667 2.974 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.545 -5.350 0.882 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.543 -5.663 2.246 1.00 0.00 C ATOM 0 H TRP A 83 -6.827 -3.522 -2.573 1.00 0.00 H new ATOM 0 HA TRP A 83 -6.232 -4.563 -0.008 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.264 -3.240 -0.777 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.843 -4.726 -1.505 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -7.055 -4.749 1.894 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.669 -5.467 3.750 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.381 -4.787 -0.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.404 -5.914 4.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.477 -5.360 0.337 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.476 -5.908 2.731 1.00 0.00 H new ATOM 292 N SER A 84 -6.022 -6.871 -0.364 1.00 0.00 N ATOM 293 CA SER A 84 -5.785 -8.263 -0.426 1.00 0.00 C ATOM 294 C SER A 84 -7.088 -9.081 -0.448 1.00 0.00 C ATOM 295 O SER A 84 -7.131 -10.186 -0.984 1.00 0.00 O ATOM 296 CB SER A 84 -4.949 -8.624 0.768 1.00 0.00 C ATOM 297 OG SER A 84 -3.681 -7.966 0.740 1.00 0.00 O ATOM 0 H SER A 84 -5.576 -6.427 0.439 1.00 0.00 H new ATOM 0 HA SER A 84 -5.269 -8.503 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.480 -8.353 1.680 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.799 -9.703 0.795 1.00 0.00 H new ATOM 0 HG SER A 84 -3.163 -8.221 1.532 1.00 0.00 H new ATOM 303 N GLU A 85 -8.143 -8.509 0.081 1.00 0.00 N ATOM 304 CA GLU A 85 -9.408 -9.190 0.165 1.00 0.00 C ATOM 305 C GLU A 85 -10.176 -9.149 -1.153 1.00 0.00 C ATOM 306 O GLU A 85 -10.764 -10.142 -1.551 1.00 0.00 O ATOM 307 CB GLU A 85 -10.244 -8.564 1.244 1.00 0.00 C ATOM 308 CG GLU A 85 -9.623 -8.608 2.620 1.00 0.00 C ATOM 309 CD GLU A 85 -9.479 -9.991 3.155 1.00 0.00 C ATOM 310 OE1 GLU A 85 -10.501 -10.617 3.500 1.00 0.00 O ATOM 311 OE2 GLU A 85 -8.333 -10.467 3.276 1.00 0.00 O ATOM 0 H GLU A 85 -8.147 -7.563 0.463 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.202 -10.235 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.438 -7.525 0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.209 -9.069 1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.641 -8.135 2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.234 -8.022 3.306 1.00 0.00 H new ATOM 318 N ASP A 86 -10.177 -8.008 -1.828 1.00 0.00 N ATOM 319 CA ASP A 86 -11.000 -7.886 -3.051 1.00 0.00 C ATOM 320 C ASP A 86 -10.144 -7.877 -4.319 1.00 0.00 C ATOM 321 O ASP A 86 -10.614 -8.205 -5.411 1.00 0.00 O ATOM 322 CB ASP A 86 -11.847 -6.610 -2.980 1.00 0.00 C ATOM 323 CG ASP A 86 -12.882 -6.510 -4.086 1.00 0.00 C ATOM 324 OD1 ASP A 86 -12.566 -6.026 -5.183 1.00 0.00 O ATOM 325 OD2 ASP A 86 -14.048 -6.894 -3.854 1.00 0.00 O ATOM 0 H ASP A 86 -9.644 -7.176 -1.574 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.651 -8.759 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.353 -6.572 -2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.189 -5.743 -3.029 1.00 0.00 H new ATOM 330 N GLY A 87 -8.882 -7.566 -4.167 1.00 0.00 N ATOM 331 CA GLY A 87 -7.983 -7.537 -5.308 1.00 0.00 C ATOM 332 C GLY A 87 -8.000 -6.212 -6.060 1.00 0.00 C ATOM 333 O GLY A 87 -7.467 -6.114 -7.166 1.00 0.00 O ATOM 0 H GLY A 87 -8.449 -7.330 -3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.968 -7.739 -4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.254 -8.339 -5.995 1.00 0.00 H new ATOM 337 N GLN A 88 -8.603 -5.199 -5.476 1.00 0.00 N ATOM 338 CA GLN A 88 -8.674 -3.882 -6.111 1.00 0.00 C ATOM 339 C GLN A 88 -7.879 -2.864 -5.332 1.00 0.00 C ATOM 340 O GLN A 88 -7.480 -3.132 -4.203 1.00 0.00 O ATOM 341 CB GLN A 88 -10.114 -3.417 -6.293 1.00 0.00 C ATOM 342 CG GLN A 88 -10.898 -4.170 -7.354 1.00 0.00 C ATOM 343 CD GLN A 88 -10.310 -4.034 -8.749 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.641 -3.107 -9.486 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.472 -4.952 -9.137 1.00 0.00 N ATOM 0 H GLN A 88 -9.054 -5.253 -4.563 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.233 -3.978 -7.103 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.635 -3.513 -5.340 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.109 -2.357 -6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.937 -5.226 -7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.925 -3.805 -7.364 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.216 -5.709 -8.504 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.072 -4.914 -10.074 1.00 0.00 H new ATOM 354 N CYS A 89 -7.666 -1.711 -5.913 1.00 0.00 N ATOM 355 CA CYS A 89 -6.877 -0.682 -5.270 1.00 0.00 C ATOM 356 C CYS A 89 -7.763 0.337 -4.563 1.00 0.00 C ATOM 357 O CYS A 89 -8.774 0.811 -5.113 1.00 0.00 O ATOM 358 CB CYS A 89 -5.923 -0.004 -6.264 1.00 0.00 C ATOM 359 SG CYS A 89 -6.721 0.741 -7.703 1.00 0.00 S ATOM 0 H CYS A 89 -8.027 -1.457 -6.832 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.265 -1.166 -4.509 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.363 0.769 -5.737 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -5.199 -0.742 -6.610 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.820 1.283 -8.467 1.00 0.00 H new ATOM 365 N TYR A 90 -7.389 0.651 -3.354 1.00 0.00 N ATOM 366 CA TYR A 90 -8.108 1.564 -2.509 1.00 0.00 C ATOM 367 C TYR A 90 -7.113 2.509 -1.878 1.00 0.00 C ATOM 368 O TYR A 90 -5.919 2.179 -1.782 1.00 0.00 O ATOM 369 CB TYR A 90 -8.862 0.801 -1.417 1.00 0.00 C ATOM 370 CG TYR A 90 -9.927 -0.160 -1.923 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.582 -1.398 -2.452 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.273 0.163 -1.849 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.535 -2.273 -2.902 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.238 -0.717 -2.293 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.861 -1.931 -2.824 1.00 0.00 C ATOM 376 OH TYR A 90 -12.822 -2.817 -3.254 1.00 0.00 O ATOM 0 H TYR A 90 -6.551 0.268 -2.916 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.835 2.119 -3.102 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.141 0.240 -0.823 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.333 1.523 -0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.540 -1.676 -2.510 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.570 1.117 -1.438 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.244 -3.227 -3.316 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.284 -0.456 -2.225 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.710 -2.422 -3.129 1.00 0.00 H new ATOM 386 N GLU A 91 -7.579 3.658 -1.468 1.00 0.00 N ATOM 387 CA GLU A 91 -6.723 4.677 -0.909 1.00 0.00 C ATOM 388 C GLU A 91 -6.304 4.311 0.512 1.00 0.00 C ATOM 389 O GLU A 91 -7.145 4.003 1.371 1.00 0.00 O ATOM 390 CB GLU A 91 -7.435 6.018 -0.950 1.00 0.00 C ATOM 391 CG GLU A 91 -6.624 7.176 -0.422 1.00 0.00 C ATOM 392 CD GLU A 91 -7.357 8.467 -0.557 1.00 0.00 C ATOM 393 OE1 GLU A 91 -8.191 8.791 0.305 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.111 9.203 -1.528 1.00 0.00 O ATOM 0 H GLU A 91 -8.565 3.917 -1.511 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.814 4.750 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.721 6.231 -1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.356 5.943 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.381 7.003 0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.679 7.235 -0.962 1.00 0.00 H new ATOM 401 N ALA A 92 -5.023 4.341 0.757 1.00 0.00 N ATOM 402 CA ALA A 92 -4.489 3.966 2.029 1.00 0.00 C ATOM 403 C ALA A 92 -3.306 4.828 2.390 1.00 0.00 C ATOM 404 O ALA A 92 -2.502 5.177 1.530 1.00 0.00 O ATOM 405 CB ALA A 92 -4.083 2.520 1.994 1.00 0.00 C ATOM 0 H ALA A 92 -4.321 4.628 0.075 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.257 4.111 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.676 2.233 2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.953 1.903 1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.325 2.373 1.224 1.00 0.00 H new ATOM 411 N GLU A 93 -3.182 5.154 3.641 1.00 0.00 N ATOM 412 CA GLU A 93 -2.098 5.979 4.099 1.00 0.00 C ATOM 413 C GLU A 93 -1.042 5.100 4.737 1.00 0.00 C ATOM 414 O GLU A 93 -1.365 4.170 5.488 1.00 0.00 O ATOM 415 CB GLU A 93 -2.597 7.043 5.075 1.00 0.00 C ATOM 416 CG GLU A 93 -1.537 8.057 5.498 1.00 0.00 C ATOM 417 CD GLU A 93 -2.090 9.091 6.438 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.831 9.982 5.984 1.00 0.00 O ATOM 419 OE2 GLU A 93 -1.811 9.023 7.663 1.00 0.00 O ATOM 0 H GLU A 93 -3.826 4.858 4.374 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.659 6.503 3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.430 7.576 4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.985 6.549 5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.709 7.536 5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.134 8.550 4.614 1.00 0.00 H new ATOM 426 N ILE A 94 0.187 5.350 4.391 1.00 0.00 N ATOM 427 CA ILE A 94 1.318 4.600 4.907 1.00 0.00 C ATOM 428 C ILE A 94 1.604 4.960 6.355 1.00 0.00 C ATOM 429 O ILE A 94 1.858 6.120 6.683 1.00 0.00 O ATOM 430 CB ILE A 94 2.571 4.853 4.063 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.257 4.524 2.613 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.724 3.991 4.575 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.298 4.968 1.633 1.00 0.00 C ATOM 0 H ILE A 94 0.446 6.087 3.735 1.00 0.00 H new ATOM 0 HA ILE A 94 1.057 3.543 4.853 1.00 0.00 H new ATOM 0 HB ILE A 94 2.870 5.899 4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.125 3.446 2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.306 4.986 2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.612 4.175 3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.933 4.244 5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.450 2.938 4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.990 4.691 0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.416 6.050 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.247 4.486 1.867 1.00 0.00 H new ATOM 445 N GLU A 95 1.575 3.957 7.187 1.00 0.00 N ATOM 446 CA GLU A 95 1.799 4.092 8.608 1.00 0.00 C ATOM 447 C GLU A 95 3.243 3.812 8.969 1.00 0.00 C ATOM 448 O GLU A 95 3.794 4.449 9.851 1.00 0.00 O ATOM 449 CB GLU A 95 0.916 3.113 9.347 1.00 0.00 C ATOM 450 CG GLU A 95 -0.553 3.391 9.210 1.00 0.00 C ATOM 451 CD GLU A 95 -0.984 4.604 9.985 1.00 0.00 C ATOM 452 OE1 GLU A 95 -0.874 5.730 9.479 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.446 4.456 11.134 1.00 0.00 O ATOM 0 H GLU A 95 1.391 2.998 6.894 1.00 0.00 H new ATOM 0 HA GLU A 95 1.562 5.117 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.121 2.107 8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.181 3.127 10.404 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.796 3.531 8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.117 2.524 9.555 1.00 0.00 H new ATOM 460 N GLU A 96 3.837 2.853 8.301 1.00 0.00 N ATOM 461 CA GLU A 96 5.198 2.447 8.594 1.00 0.00 C ATOM 462 C GLU A 96 5.784 1.764 7.380 1.00 0.00 C ATOM 463 O GLU A 96 5.065 1.102 6.631 1.00 0.00 O ATOM 464 CB GLU A 96 5.212 1.501 9.804 1.00 0.00 C ATOM 465 CG GLU A 96 6.590 1.013 10.207 1.00 0.00 C ATOM 466 CD GLU A 96 6.546 0.068 11.365 1.00 0.00 C ATOM 467 OE1 GLU A 96 6.311 -1.135 11.153 1.00 0.00 O ATOM 468 OE2 GLU A 96 6.753 0.500 12.511 1.00 0.00 O ATOM 0 H GLU A 96 3.397 2.332 7.542 1.00 0.00 H new ATOM 0 HA GLU A 96 5.800 3.323 8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.759 2.012 10.654 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.586 0.637 9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.060 0.519 9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.214 1.869 10.464 1.00 0.00 H new ATOM 475 N ILE A 97 7.058 1.943 7.178 1.00 0.00 N ATOM 476 CA ILE A 97 7.745 1.383 6.049 1.00 0.00 C ATOM 477 C ILE A 97 8.823 0.430 6.520 1.00 0.00 C ATOM 478 O ILE A 97 9.612 0.750 7.410 1.00 0.00 O ATOM 479 CB ILE A 97 8.368 2.516 5.212 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.268 3.449 4.770 1.00 0.00 C ATOM 481 CG2 ILE A 97 9.112 1.969 3.990 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.754 4.789 4.397 1.00 0.00 C ATOM 0 H ILE A 97 7.656 2.488 7.799 1.00 0.00 H new ATOM 0 HA ILE A 97 7.036 0.831 5.433 1.00 0.00 H new ATOM 0 HB ILE A 97 9.095 3.048 5.826 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.748 3.009 3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.538 3.546 5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.538 2.797 3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.911 1.304 4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.417 1.417 3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.912 5.409 4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.249 5.248 5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.462 4.703 3.572 1.00 0.00 H new ATOM 494 N ASP A 98 8.824 -0.730 5.951 1.00 0.00 N ATOM 495 CA ASP A 98 9.810 -1.734 6.221 1.00 0.00 C ATOM 496 C ASP A 98 10.730 -1.809 5.025 1.00 0.00 C ATOM 497 O ASP A 98 10.418 -2.459 4.027 1.00 0.00 O ATOM 498 CB ASP A 98 9.157 -3.101 6.456 1.00 0.00 C ATOM 499 CG ASP A 98 10.170 -4.180 6.754 1.00 0.00 C ATOM 500 OD1 ASP A 98 10.656 -4.800 5.814 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.480 -4.424 7.936 1.00 0.00 O ATOM 0 H ASP A 98 8.123 -1.017 5.268 1.00 0.00 H new ATOM 0 HA ASP A 98 10.362 -1.471 7.124 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.454 -3.027 7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.580 -3.381 5.574 1.00 0.00 H new ATOM 506 N GLU A 99 11.804 -1.072 5.086 1.00 0.00 N ATOM 507 CA GLU A 99 12.791 -1.010 4.015 1.00 0.00 C ATOM 508 C GLU A 99 13.516 -2.342 3.831 1.00 0.00 C ATOM 509 O GLU A 99 14.092 -2.609 2.768 1.00 0.00 O ATOM 510 CB GLU A 99 13.781 0.111 4.280 1.00 0.00 C ATOM 511 CG GLU A 99 13.150 1.490 4.310 1.00 0.00 C ATOM 512 CD GLU A 99 14.143 2.569 4.628 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.762 3.121 3.705 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.320 2.891 5.822 1.00 0.00 O ATOM 0 H GLU A 99 12.032 -0.485 5.888 1.00 0.00 H new ATOM 0 HA GLU A 99 12.261 -0.802 3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.277 -0.072 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.553 0.091 3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.690 1.697 3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.352 1.505 5.052 1.00 0.00 H new ATOM 521 N GLU A 100 13.462 -3.172 4.866 1.00 0.00 N ATOM 522 CA GLU A 100 14.107 -4.468 4.881 1.00 0.00 C ATOM 523 C GLU A 100 13.517 -5.365 3.785 1.00 0.00 C ATOM 524 O GLU A 100 14.247 -6.011 3.035 1.00 0.00 O ATOM 525 CB GLU A 100 13.873 -5.103 6.257 1.00 0.00 C ATOM 526 CG GLU A 100 14.584 -6.420 6.488 1.00 0.00 C ATOM 527 CD GLU A 100 16.073 -6.284 6.407 1.00 0.00 C ATOM 528 OE1 GLU A 100 16.692 -5.818 7.379 1.00 0.00 O ATOM 529 OE2 GLU A 100 16.660 -6.636 5.376 1.00 0.00 O ATOM 0 H GLU A 100 12.961 -2.955 5.727 1.00 0.00 H new ATOM 0 HA GLU A 100 15.175 -4.355 4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.191 -4.397 7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.802 -5.258 6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.310 -6.811 7.468 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.247 -7.147 5.749 1.00 0.00 H new ATOM 536 N ASN A 101 12.216 -5.342 3.670 1.00 0.00 N ATOM 537 CA ASN A 101 11.498 -6.131 2.668 1.00 0.00 C ATOM 538 C ASN A 101 10.985 -5.259 1.562 1.00 0.00 C ATOM 539 O ASN A 101 10.519 -5.751 0.530 1.00 0.00 O ATOM 540 CB ASN A 101 10.305 -6.833 3.308 1.00 0.00 C ATOM 541 CG ASN A 101 10.697 -7.858 4.336 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.864 -9.041 4.032 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.851 -7.425 5.548 1.00 0.00 N ATOM 0 H ASN A 101 11.609 -4.778 4.265 1.00 0.00 H new ATOM 0 HA ASN A 101 12.199 -6.861 2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.662 -6.087 3.776 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.717 -7.317 2.529 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.120 -8.071 6.290 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.704 -6.438 5.760 1.00 0.00 H new ATOM 550 N GLY A 102 11.055 -3.968 1.771 1.00 0.00 N ATOM 551 CA GLY A 102 10.508 -3.042 0.818 1.00 0.00 C ATOM 552 C GLY A 102 8.999 -3.051 0.901 1.00 0.00 C ATOM 553 O GLY A 102 8.303 -2.850 -0.088 1.00 0.00 O ATOM 0 H GLY A 102 11.484 -3.538 2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.886 -2.039 1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.827 -3.311 -0.189 1.00 0.00 H new ATOM 557 N THR A 103 8.491 -3.309 2.080 1.00 0.00 N ATOM 558 CA THR A 103 7.070 -3.368 2.281 1.00 0.00 C ATOM 559 C THR A 103 6.613 -2.243 3.179 1.00 0.00 C ATOM 560 O THR A 103 7.397 -1.709 3.937 1.00 0.00 O ATOM 561 CB THR A 103 6.657 -4.730 2.862 1.00 0.00 C ATOM 562 OG1 THR A 103 7.460 -5.025 4.021 1.00 0.00 O ATOM 563 CG2 THR A 103 6.819 -5.842 1.831 1.00 0.00 C ATOM 0 H THR A 103 9.046 -3.482 2.918 1.00 0.00 H new ATOM 0 HA THR A 103 6.584 -3.252 1.312 1.00 0.00 H new ATOM 0 HB THR A 103 5.605 -4.676 3.143 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.194 -5.893 4.391 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.519 -6.793 2.271 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.192 -5.629 0.965 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.862 -5.900 1.519 1.00 0.00 H new ATOM 571 N ALA A 104 5.378 -1.868 3.081 1.00 0.00 N ATOM 572 CA ALA A 104 4.858 -0.813 3.892 1.00 0.00 C ATOM 573 C ALA A 104 3.549 -1.220 4.499 1.00 0.00 C ATOM 574 O ALA A 104 2.776 -1.966 3.896 1.00 0.00 O ATOM 575 CB ALA A 104 4.683 0.448 3.078 1.00 0.00 C ATOM 0 H ALA A 104 4.703 -2.283 2.439 1.00 0.00 H new ATOM 0 HA ALA A 104 5.571 -0.613 4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.286 1.239 3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.647 0.757 2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.990 0.259 2.259 1.00 0.00 H new ATOM 581 N ALA A 105 3.328 -0.768 5.691 1.00 0.00 N ATOM 582 CA ALA A 105 2.106 -1.001 6.380 1.00 0.00 C ATOM 583 C ALA A 105 1.214 0.175 6.117 1.00 0.00 C ATOM 584 O ALA A 105 1.593 1.327 6.376 1.00 0.00 O ATOM 585 CB ALA A 105 2.363 -1.166 7.853 1.00 0.00 C ATOM 0 H ALA A 105 4.005 -0.218 6.220 1.00 0.00 H new ATOM 0 HA ALA A 105 1.630 -1.918 6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.420 -1.344 8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.030 -2.013 8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.826 -0.261 8.245 1.00 0.00 H new ATOM 591 N ILE A 106 0.065 -0.087 5.596 1.00 0.00 N ATOM 592 CA ILE A 106 -0.826 0.956 5.173 1.00 0.00 C ATOM 593 C ILE A 106 -2.182 0.805 5.823 1.00 0.00 C ATOM 594 O ILE A 106 -2.610 -0.301 6.114 1.00 0.00 O ATOM 595 CB ILE A 106 -0.962 0.949 3.614 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.411 -0.424 3.091 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.320 1.371 2.938 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.879 -0.538 2.876 1.00 0.00 C ATOM 0 H ILE A 106 -0.291 -1.031 5.448 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.408 1.913 5.486 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.733 1.679 3.365 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.899 -0.628 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.097 -1.192 3.798 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.184 1.353 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.583 2.381 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.120 0.685 3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.116 -1.536 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.399 -0.367 3.818 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.198 0.205 2.145 1.00 0.00 H new ATOM 610 N THR A 107 -2.826 1.906 6.070 1.00 0.00 N ATOM 611 CA THR A 107 -4.153 1.912 6.620 1.00 0.00 C ATOM 612 C THR A 107 -5.128 2.476 5.596 1.00 0.00 C ATOM 613 O THR A 107 -4.949 3.592 5.106 1.00 0.00 O ATOM 614 CB THR A 107 -4.211 2.726 7.934 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.348 2.108 8.893 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.629 2.784 8.503 1.00 0.00 C ATOM 0 H THR A 107 -2.444 2.835 5.895 1.00 0.00 H new ATOM 0 HA THR A 107 -4.435 0.886 6.857 1.00 0.00 H new ATOM 0 HB THR A 107 -3.893 3.746 7.720 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.374 2.615 9.731 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.627 3.364 9.426 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.293 3.256 7.779 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.979 1.773 8.711 1.00 0.00 H new ATOM 624 N PHE A 108 -6.129 1.689 5.271 1.00 0.00 N ATOM 625 CA PHE A 108 -7.136 2.063 4.308 1.00 0.00 C ATOM 626 C PHE A 108 -7.980 3.193 4.826 1.00 0.00 C ATOM 627 O PHE A 108 -8.606 3.071 5.886 1.00 0.00 O ATOM 628 CB PHE A 108 -7.999 0.866 3.923 1.00 0.00 C ATOM 629 CG PHE A 108 -7.255 -0.166 3.131 1.00 0.00 C ATOM 630 CD1 PHE A 108 -7.037 0.037 1.781 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.766 -1.330 3.727 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.345 -0.891 1.027 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.076 -2.264 2.977 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.862 -2.043 1.624 1.00 0.00 C ATOM 0 H PHE A 108 -6.267 0.762 5.673 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.627 2.409 3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.394 0.405 4.828 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.854 1.214 3.343 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.413 0.933 1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.928 -1.502 4.781 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -6.181 -0.718 -0.026 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.704 -3.164 3.443 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.319 -2.769 1.037 1.00 0.00 H new ATOM 644 N ALA A 109 -7.998 4.273 4.075 1.00 0.00 N ATOM 645 CA ALA A 109 -8.681 5.488 4.460 1.00 0.00 C ATOM 646 C ALA A 109 -10.174 5.260 4.545 1.00 0.00 C ATOM 647 O ALA A 109 -10.776 4.628 3.660 1.00 0.00 O ATOM 648 CB ALA A 109 -8.361 6.612 3.480 1.00 0.00 C ATOM 0 H ALA A 109 -7.533 4.332 3.169 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.328 5.782 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.883 7.519 3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.287 6.796 3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.685 6.325 2.479 1.00 0.00 H new ATOM 654 N GLY A 110 -10.759 5.706 5.621 1.00 0.00 N ATOM 655 CA GLY A 110 -12.176 5.573 5.798 1.00 0.00 C ATOM 656 C GLY A 110 -12.541 4.264 6.454 1.00 0.00 C ATOM 657 O GLY A 110 -13.140 4.250 7.534 1.00 0.00 O ATOM 0 H GLY A 110 -10.274 6.166 6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.545 6.399 6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.671 5.644 4.830 1.00 0.00 H new ATOM 661 N TYR A 111 -12.169 3.163 5.818 1.00 0.00 N ATOM 662 CA TYR A 111 -12.488 1.836 6.308 1.00 0.00 C ATOM 663 C TYR A 111 -11.751 1.558 7.606 1.00 0.00 C ATOM 664 O TYR A 111 -12.345 1.128 8.592 1.00 0.00 O ATOM 665 CB TYR A 111 -12.080 0.803 5.296 1.00 0.00 C ATOM 666 CG TYR A 111 -12.638 0.985 3.906 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.931 0.591 3.591 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.838 1.489 2.893 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.415 0.700 2.301 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.303 1.612 1.607 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.598 1.213 1.311 1.00 0.00 C ATOM 672 OH TYR A 111 -14.082 1.331 0.023 1.00 0.00 O ATOM 0 H TYR A 111 -11.637 3.168 4.948 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.563 1.787 6.480 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -10.992 0.796 5.232 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.384 -0.177 5.663 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.569 0.193 4.366 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.826 1.792 3.120 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.422 0.387 2.069 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.667 2.016 0.833 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.450 0.920 -0.603 1.00 0.00 H new ATOM 682 N GLY A 112 -10.455 1.807 7.600 1.00 0.00 N ATOM 683 CA GLY A 112 -9.682 1.659 8.799 1.00 0.00 C ATOM 684 C GLY A 112 -8.937 0.342 8.946 1.00 0.00 C ATOM 685 O GLY A 112 -8.560 -0.022 10.062 1.00 0.00 O ATOM 0 H GLY A 112 -9.927 2.110 6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -8.957 2.472 8.845 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.347 1.776 9.655 1.00 0.00 H new ATOM 689 N ASN A 113 -8.702 -0.384 7.863 1.00 0.00 N ATOM 690 CA ASN A 113 -7.918 -1.633 7.993 1.00 0.00 C ATOM 691 C ASN A 113 -6.488 -1.357 7.696 1.00 0.00 C ATOM 692 O ASN A 113 -6.159 -0.285 7.198 1.00 0.00 O ATOM 693 CB ASN A 113 -8.379 -2.785 7.100 1.00 0.00 C ATOM 694 CG ASN A 113 -9.753 -3.307 7.395 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.268 -3.180 8.504 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.303 -3.981 6.443 1.00 0.00 N ATOM 0 H ASN A 113 -9.019 -0.157 6.921 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.073 -1.958 9.022 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.348 -2.454 6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.667 -3.605 7.195 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.203 -4.436 6.594 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.838 -4.059 5.539 1.00 0.00 H new ATOM 703 N ALA A 114 -5.644 -2.314 7.935 1.00 0.00 N ATOM 704 CA ALA A 114 -4.237 -2.133 7.743 1.00 0.00 C ATOM 705 C ALA A 114 -3.632 -3.390 7.196 1.00 0.00 C ATOM 706 O ALA A 114 -3.948 -4.482 7.663 1.00 0.00 O ATOM 707 CB ALA A 114 -3.565 -1.748 9.057 1.00 0.00 C ATOM 0 H ALA A 114 -5.910 -3.241 8.268 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.080 -1.325 7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.496 -1.614 8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.995 -0.817 9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.724 -2.537 9.792 1.00 0.00 H new ATOM 713 N GLU A 115 -2.811 -3.257 6.198 1.00 0.00 N ATOM 714 CA GLU A 115 -2.126 -4.393 5.658 1.00 0.00 C ATOM 715 C GLU A 115 -0.708 -4.007 5.311 1.00 0.00 C ATOM 716 O GLU A 115 -0.401 -2.816 5.169 1.00 0.00 O ATOM 717 CB GLU A 115 -2.842 -5.010 4.432 1.00 0.00 C ATOM 718 CG GLU A 115 -2.774 -4.241 3.128 1.00 0.00 C ATOM 719 CD GLU A 115 -3.059 -5.161 1.954 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.244 -5.490 1.686 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.093 -5.625 1.308 1.00 0.00 O ATOM 0 H GLU A 115 -2.599 -2.371 5.740 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.124 -5.167 6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.424 -6.002 4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.892 -5.147 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.496 -3.425 3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.787 -3.792 3.015 1.00 0.00 H new ATOM 728 N VAL A 116 0.151 -4.983 5.219 1.00 0.00 N ATOM 729 CA VAL A 116 1.516 -4.763 4.835 1.00 0.00 C ATOM 730 C VAL A 116 1.668 -5.199 3.402 1.00 0.00 C ATOM 731 O VAL A 116 1.565 -6.381 3.084 1.00 0.00 O ATOM 732 CB VAL A 116 2.519 -5.522 5.745 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.954 -5.283 5.293 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.350 -5.090 7.188 1.00 0.00 C ATOM 0 H VAL A 116 -0.078 -5.959 5.409 1.00 0.00 H new ATOM 0 HA VAL A 116 1.748 -3.704 4.946 1.00 0.00 H new ATOM 0 HB VAL A 116 2.308 -6.588 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.637 -5.826 5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.076 -5.635 4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.177 -4.217 5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.059 -5.630 7.815 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.534 -4.019 7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.334 -5.310 7.517 1.00 0.00 H new ATOM 744 N THR A 117 1.877 -4.257 2.558 1.00 0.00 N ATOM 745 CA THR A 117 1.943 -4.488 1.145 1.00 0.00 C ATOM 746 C THR A 117 3.238 -3.864 0.594 1.00 0.00 C ATOM 747 O THR A 117 3.696 -2.837 1.110 1.00 0.00 O ATOM 748 CB THR A 117 0.658 -3.939 0.428 1.00 0.00 C ATOM 749 OG1 THR A 117 0.626 -4.313 -0.959 1.00 0.00 O ATOM 750 CG2 THR A 117 0.550 -2.431 0.552 1.00 0.00 C ATOM 0 H THR A 117 2.011 -3.282 2.825 1.00 0.00 H new ATOM 0 HA THR A 117 1.970 -5.559 0.945 1.00 0.00 H new ATOM 0 HB THR A 117 -0.196 -4.392 0.931 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.187 -3.957 -1.375 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.351 -2.088 0.044 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.500 -2.155 1.605 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.423 -1.965 0.096 1.00 0.00 H new ATOM 758 N PRO A 118 3.913 -4.530 -0.364 1.00 0.00 N ATOM 759 CA PRO A 118 5.160 -4.038 -0.933 1.00 0.00 C ATOM 760 C PRO A 118 5.007 -2.680 -1.602 1.00 0.00 C ATOM 761 O PRO A 118 3.951 -2.358 -2.158 1.00 0.00 O ATOM 762 CB PRO A 118 5.547 -5.099 -1.965 1.00 0.00 C ATOM 763 CG PRO A 118 4.298 -5.820 -2.258 1.00 0.00 C ATOM 764 CD PRO A 118 3.494 -5.789 -0.991 1.00 0.00 C ATOM 0 HA PRO A 118 5.913 -3.889 -0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.959 -4.642 -2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.308 -5.773 -1.572 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.756 -5.345 -3.076 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.503 -6.846 -2.565 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.423 -5.802 -1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.710 -6.648 -0.355 1.00 0.00 H new ATOM 772 N LEU A 119 6.076 -1.910 -1.571 1.00 0.00 N ATOM 773 CA LEU A 119 6.133 -0.565 -2.162 1.00 0.00 C ATOM 774 C LEU A 119 5.824 -0.600 -3.658 1.00 0.00 C ATOM 775 O LEU A 119 5.388 0.392 -4.239 1.00 0.00 O ATOM 776 CB LEU A 119 7.510 0.060 -1.928 1.00 0.00 C ATOM 777 CG LEU A 119 7.959 0.190 -0.467 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.317 0.849 -0.372 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.942 0.937 0.371 1.00 0.00 C ATOM 0 H LEU A 119 6.950 -2.195 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 119 5.374 0.045 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.251 -0.535 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.516 1.053 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 119 8.038 -0.820 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.610 0.928 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 119 10.051 0.249 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.270 1.845 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.298 1.007 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.803 1.939 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.992 0.403 0.352 1.00 0.00 H new ATOM 791 N LEU A 120 6.091 -1.743 -4.266 1.00 0.00 N ATOM 792 CA LEU A 120 5.819 -1.970 -5.678 1.00 0.00 C ATOM 793 C LEU A 120 4.307 -1.970 -5.936 1.00 0.00 C ATOM 794 O LEU A 120 3.843 -1.540 -6.989 1.00 0.00 O ATOM 795 CB LEU A 120 6.476 -3.301 -6.127 1.00 0.00 C ATOM 796 CG LEU A 120 5.730 -4.609 -5.822 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.811 -4.971 -6.979 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.705 -5.729 -5.531 1.00 0.00 C ATOM 0 H LEU A 120 6.505 -2.546 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 120 6.251 -1.161 -6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.634 -3.249 -7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.460 -3.361 -5.663 1.00 0.00 H new ATOM 0 HG LEU A 120 5.119 -4.462 -4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.288 -5.900 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.084 -4.173 -7.130 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.402 -5.100 -7.886 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.154 -6.645 -5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.348 -5.886 -6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.316 -5.464 -4.668 1.00 0.00 H new ATOM 810 N ASN A 121 3.550 -2.432 -4.949 1.00 0.00 N ATOM 811 CA ASN A 121 2.104 -2.536 -5.057 1.00 0.00 C ATOM 812 C ASN A 121 1.446 -1.217 -4.787 1.00 0.00 C ATOM 813 O ASN A 121 0.296 -0.998 -5.175 1.00 0.00 O ATOM 814 CB ASN A 121 1.518 -3.612 -4.120 1.00 0.00 C ATOM 815 CG ASN A 121 1.602 -5.023 -4.660 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.638 -5.244 -5.871 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.541 -5.986 -3.784 1.00 0.00 N ATOM 0 H ASN A 121 3.923 -2.744 -4.052 1.00 0.00 H new ATOM 0 HA ASN A 121 1.895 -2.839 -6.083 1.00 0.00 H new ATOM 0 HB2 ASN A 121 2.042 -3.569 -3.165 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.473 -3.374 -3.921 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.522 -6.957 -4.094 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.513 -5.768 -2.788 1.00 0.00 H new ATOM 824 N LEU A 122 2.169 -0.339 -4.149 1.00 0.00 N ATOM 825 CA LEU A 122 1.658 0.960 -3.821 1.00 0.00 C ATOM 826 C LEU A 122 1.732 1.856 -5.018 1.00 0.00 C ATOM 827 O LEU A 122 2.757 1.935 -5.679 1.00 0.00 O ATOM 828 CB LEU A 122 2.444 1.566 -2.667 1.00 0.00 C ATOM 829 CG LEU A 122 2.327 0.851 -1.332 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.113 1.590 -0.267 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.869 0.722 -0.932 1.00 0.00 C ATOM 0 H LEU A 122 3.128 -0.505 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 122 0.617 0.858 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.497 1.598 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.118 2.598 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 122 2.746 -0.150 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.019 1.066 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.163 1.634 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.722 2.602 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.799 0.208 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.426 1.714 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.333 0.151 -1.690 1.00 0.00 H new ATOM 843 N LYS A 123 0.656 2.513 -5.305 1.00 0.00 N ATOM 844 CA LYS A 123 0.594 3.406 -6.421 1.00 0.00 C ATOM 845 C LYS A 123 0.403 4.827 -5.911 1.00 0.00 C ATOM 846 O LYS A 123 -0.155 5.018 -4.827 1.00 0.00 O ATOM 847 CB LYS A 123 -0.572 3.043 -7.341 1.00 0.00 C ATOM 848 CG LYS A 123 -0.639 1.597 -7.763 1.00 0.00 C ATOM 849 CD LYS A 123 -1.833 1.390 -8.667 1.00 0.00 C ATOM 850 CE LYS A 123 -2.043 -0.072 -9.033 1.00 0.00 C ATOM 851 NZ LYS A 123 -0.939 -0.630 -9.853 1.00 0.00 N ATOM 0 H LYS A 123 -0.210 2.447 -4.771 1.00 0.00 H new ATOM 0 HA LYS A 123 1.523 3.327 -6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.504 3.300 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.513 3.662 -8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 123 0.277 1.316 -8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -0.718 0.955 -6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -2.728 1.769 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -1.700 1.973 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -2.142 -0.659 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -2.981 -0.173 -9.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.138 -1.627 -10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.858 -0.092 -10.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.046 -0.563 -9.325 1.00 0.00 H new ATOM 865 N PRO A 124 0.860 5.825 -6.660 1.00 0.00 N ATOM 866 CA PRO A 124 0.658 7.224 -6.310 1.00 0.00 C ATOM 867 C PRO A 124 -0.801 7.612 -6.505 1.00 0.00 C ATOM 868 O PRO A 124 -1.478 7.071 -7.383 1.00 0.00 O ATOM 869 CB PRO A 124 1.563 8.004 -7.268 1.00 0.00 C ATOM 870 CG PRO A 124 2.044 7.031 -8.301 1.00 0.00 C ATOM 871 CD PRO A 124 1.585 5.653 -7.911 1.00 0.00 C ATOM 0 HA PRO A 124 0.898 7.430 -5.267 1.00 0.00 H new ATOM 0 HB2 PRO A 124 1.016 8.824 -7.734 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.403 8.445 -6.732 1.00 0.00 H new ATOM 0 HG2 PRO A 124 1.652 7.297 -9.283 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.131 7.062 -8.373 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.945 5.220 -8.680 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.432 4.978 -7.785 1.00 0.00 H new