USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 SER OG : rot -140:sc= -1.2! USER MOD Single : A 19 THR OG1 : rot -103:sc= 1.05 USER MOD Single : A 26 HIS : no HE2:sc= -2.35 X(o=-2.4,f=-2.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 100:sc= -0.254 USER MOD Single : A 46 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.0087) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 63 THR OG1 : rot 83:sc= 0.446 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -35:sc= -1.6 USER MOD Single : A 92 SER OG : rot -178:sc= -0.715 USER MOD Single : A 93 ASN : amide:sc= -1.8 K(o=-1.8,f=-2.5!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.93 K(o=-1.9,f=-3.5!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 4.792 16.746 -4.972 1.00 0.00 N ATOM 67 CA LEU A 8 4.167 15.818 -4.045 1.00 0.00 C ATOM 68 C LEU A 8 5.167 14.721 -3.675 1.00 0.00 C ATOM 69 O LEU A 8 5.584 13.942 -4.531 1.00 0.00 O ATOM 70 CB LEU A 8 2.855 15.285 -4.625 1.00 0.00 C ATOM 71 CG LEU A 8 2.159 14.190 -3.813 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.600 14.751 -2.504 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.081 13.493 -4.645 1.00 0.00 C ATOM 0 HA LEU A 8 3.897 16.327 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.164 16.121 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.053 14.898 -5.625 1.00 0.00 H new ATOM 0 HG LEU A 8 2.900 13.435 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.111 13.953 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.414 15.164 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.877 15.536 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.602 12.719 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.335 14.223 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.537 13.039 -5.525 1.00 0.00 H new ATOM 85 N SER A 9 5.523 14.695 -2.399 1.00 0.00 N ATOM 86 CA SER A 9 6.466 13.706 -1.906 1.00 0.00 C ATOM 87 C SER A 9 5.756 12.368 -1.687 1.00 0.00 C ATOM 88 O SER A 9 4.555 12.335 -1.419 1.00 0.00 O ATOM 89 CB SER A 9 7.127 14.175 -0.608 1.00 0.00 C ATOM 90 OG SER A 9 8.235 15.036 -0.854 1.00 0.00 O ATOM 0 H SER A 9 5.175 15.343 -1.692 1.00 0.00 H new ATOM 0 HA SER A 9 7.248 13.576 -2.654 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.392 14.696 0.005 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.461 13.308 -0.038 1.00 0.00 H new ATOM 0 HG SER A 9 8.958 14.826 -0.227 1.00 0.00 H new ATOM 96 N PRO A 10 6.547 11.270 -1.811 1.00 0.00 N ATOM 97 CA PRO A 10 6.007 9.933 -1.630 1.00 0.00 C ATOM 98 C PRO A 10 5.767 9.635 -0.149 1.00 0.00 C ATOM 99 O PRO A 10 6.244 10.364 0.720 1.00 0.00 O ATOM 100 CB PRO A 10 7.030 9.006 -2.265 1.00 0.00 C ATOM 101 CG PRO A 10 8.317 9.809 -2.363 1.00 0.00 C ATOM 102 CD PRO A 10 7.973 11.271 -2.127 1.00 0.00 C ATOM 0 HA PRO A 10 5.031 9.806 -2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.174 8.110 -1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.700 8.676 -3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.040 9.463 -1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.775 9.678 -3.343 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.560 11.689 -1.309 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.183 11.875 -3.010 1.00 0.00 H new ATOM 110 N PRO A 11 5.010 8.533 0.101 1.00 0.00 N ATOM 111 CA PRO A 11 4.702 8.130 1.462 1.00 0.00 C ATOM 112 C PRO A 11 5.918 7.488 2.133 1.00 0.00 C ATOM 113 O PRO A 11 6.995 7.423 1.542 1.00 0.00 O ATOM 114 CB PRO A 11 3.524 7.178 1.333 1.00 0.00 C ATOM 115 CG PRO A 11 3.513 6.722 -0.117 1.00 0.00 C ATOM 116 CD PRO A 11 4.430 7.646 -0.903 1.00 0.00 C ATOM 0 HA PRO A 11 4.447 8.974 2.103 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.632 6.329 2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.590 7.675 1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.853 5.689 -0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.501 6.755 -0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.202 7.084 -1.429 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.876 8.208 -1.655 1.00 0.00 H new ATOM 124 N ARG A 12 5.705 7.029 3.357 1.00 0.00 N ATOM 125 CA ARG A 12 6.771 6.395 4.114 1.00 0.00 C ATOM 126 C ARG A 12 6.185 5.459 5.174 1.00 0.00 C ATOM 127 O ARG A 12 4.967 5.338 5.295 1.00 0.00 O ATOM 128 CB ARG A 12 7.657 7.438 4.799 1.00 0.00 C ATOM 129 CG ARG A 12 7.421 8.830 4.209 1.00 0.00 C ATOM 130 CD ARG A 12 8.266 9.881 4.930 1.00 0.00 C ATOM 131 NE ARG A 12 8.115 11.195 4.266 1.00 0.00 N ATOM 132 CZ ARG A 12 8.897 12.255 4.509 1.00 0.00 C ATOM 133 NH1 ARG A 12 9.891 12.162 5.403 1.00 0.00 N ATOM 134 NH2 ARG A 12 8.686 13.407 3.859 1.00 0.00 N ATOM 0 H ARG A 12 4.810 7.083 3.844 1.00 0.00 H new ATOM 0 HA ARG A 12 7.379 5.822 3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.448 7.452 5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.705 7.163 4.683 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.668 8.826 3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.365 9.089 4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.958 9.954 5.973 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.314 9.581 4.927 1.00 0.00 H new ATOM 0 HE ARG A 12 7.368 11.300 3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.052 11.285 5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.487 12.969 5.589 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.929 13.477 3.179 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.282 14.214 4.045 1.00 0.00 H new ATOM 148 N GLY A 13 7.079 4.822 5.915 1.00 0.00 N ATOM 149 CA GLY A 13 6.666 3.901 6.960 1.00 0.00 C ATOM 150 C GLY A 13 5.761 2.803 6.397 1.00 0.00 C ATOM 151 O GLY A 13 5.090 2.100 7.151 1.00 0.00 O ATOM 0 H GLY A 13 8.089 4.925 5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.545 3.451 7.422 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.139 4.446 7.743 1.00 0.00 H new ATOM 155 N LEU A 14 5.771 2.691 5.077 1.00 0.00 N ATOM 156 CA LEU A 14 4.960 1.691 4.405 1.00 0.00 C ATOM 157 C LEU A 14 5.320 0.304 4.940 1.00 0.00 C ATOM 158 O LEU A 14 6.305 -0.295 4.509 1.00 0.00 O ATOM 159 CB LEU A 14 5.099 1.820 2.887 1.00 0.00 C ATOM 160 CG LEU A 14 3.943 1.258 2.057 1.00 0.00 C ATOM 161 CD1 LEU A 14 4.458 0.312 0.970 1.00 0.00 C ATOM 162 CD2 LEU A 14 2.900 0.587 2.953 1.00 0.00 C ATOM 0 H LEU A 14 6.328 3.277 4.455 1.00 0.00 H new ATOM 0 HA LEU A 14 3.903 1.851 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.217 2.875 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.017 1.317 2.582 1.00 0.00 H new ATOM 0 HG LEU A 14 3.449 2.089 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.616 -0.074 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.133 0.853 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.992 -0.518 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.089 0.196 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.365 -0.231 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.501 1.317 3.657 1.00 0.00 H new ATOM 174 N VAL A 15 4.504 -0.167 5.871 1.00 0.00 N ATOM 175 CA VAL A 15 4.725 -1.472 6.470 1.00 0.00 C ATOM 176 C VAL A 15 3.456 -2.315 6.328 1.00 0.00 C ATOM 177 O VAL A 15 2.402 -1.798 5.962 1.00 0.00 O ATOM 178 CB VAL A 15 5.178 -1.312 7.923 1.00 0.00 C ATOM 179 CG1 VAL A 15 3.996 -0.964 8.830 1.00 0.00 C ATOM 180 CG2 VAL A 15 5.896 -2.570 8.415 1.00 0.00 C ATOM 0 H VAL A 15 3.688 0.332 6.225 1.00 0.00 H new ATOM 0 HA VAL A 15 5.525 -2.000 5.951 1.00 0.00 H new ATOM 0 HB VAL A 15 5.887 -0.485 7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.345 -0.856 9.857 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.547 -0.028 8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.253 -1.760 8.781 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.207 -2.430 9.450 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.220 -3.423 8.352 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.773 -2.755 7.794 1.00 0.00 H new ATOM 190 N ALA A 16 3.600 -3.598 6.626 1.00 0.00 N ATOM 191 CA ALA A 16 2.478 -4.517 6.537 1.00 0.00 C ATOM 192 C ALA A 16 2.418 -5.367 7.807 1.00 0.00 C ATOM 193 O ALA A 16 3.383 -5.421 8.568 1.00 0.00 O ATOM 194 CB ALA A 16 2.613 -5.367 5.272 1.00 0.00 C ATOM 0 H ALA A 16 4.476 -4.023 6.929 1.00 0.00 H new ATOM 0 HA ALA A 16 1.539 -3.969 6.463 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.771 -6.056 5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.621 -4.718 4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.544 -5.933 5.312 1.00 0.00 H new ATOM 200 N VAL A 17 1.275 -6.010 7.998 1.00 0.00 N ATOM 201 CA VAL A 17 1.077 -6.855 9.163 1.00 0.00 C ATOM 202 C VAL A 17 -0.069 -7.832 8.891 1.00 0.00 C ATOM 203 O VAL A 17 -1.238 -7.453 8.946 1.00 0.00 O ATOM 204 CB VAL A 17 0.843 -5.990 10.403 1.00 0.00 C ATOM 205 CG1 VAL A 17 -0.297 -4.996 10.171 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.572 -6.857 11.634 1.00 0.00 C ATOM 0 H VAL A 17 0.477 -5.962 7.365 1.00 0.00 H new ATOM 0 HA VAL A 17 1.970 -7.448 9.360 1.00 0.00 H new ATOM 0 HB VAL A 17 1.753 -5.419 10.589 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.443 -4.394 11.068 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.047 -4.345 9.333 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.214 -5.540 9.947 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.409 -6.217 12.501 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.315 -7.467 11.461 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.428 -7.506 11.818 1.00 0.00 H new ATOM 216 N ARG A 18 0.307 -9.069 8.602 1.00 0.00 N ATOM 217 CA ARG A 18 -0.675 -10.103 8.321 1.00 0.00 C ATOM 218 C ARG A 18 -1.522 -10.382 9.564 1.00 0.00 C ATOM 219 O ARG A 18 -1.038 -10.266 10.688 1.00 0.00 O ATOM 220 CB ARG A 18 0.003 -11.399 7.872 1.00 0.00 C ATOM 221 CG ARG A 18 -0.918 -12.213 6.963 1.00 0.00 C ATOM 222 CD ARG A 18 -0.889 -13.696 7.338 1.00 0.00 C ATOM 223 NE ARG A 18 -1.583 -14.495 6.304 1.00 0.00 N ATOM 224 CZ ARG A 18 -2.913 -14.642 6.235 1.00 0.00 C ATOM 225 NH1 ARG A 18 -3.701 -14.045 7.140 1.00 0.00 N ATOM 226 NH2 ARG A 18 -3.456 -15.385 5.261 1.00 0.00 N ATOM 0 H ARG A 18 1.278 -9.379 8.556 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.314 -9.743 7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.928 -11.166 7.344 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.275 -11.992 8.745 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.937 -11.835 7.040 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.610 -12.091 5.925 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.142 -14.034 7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.368 -13.844 8.306 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.013 -14.963 5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.288 -13.479 7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.713 -14.157 7.087 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.857 -15.839 4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.469 -15.497 5.209 1.00 0.00 H new ATOM 240 N THR A 19 -2.773 -10.745 9.319 1.00 0.00 N ATOM 241 CA THR A 19 -3.692 -11.042 10.404 1.00 0.00 C ATOM 242 C THR A 19 -4.802 -11.978 9.922 1.00 0.00 C ATOM 243 O THR A 19 -4.801 -12.405 8.768 1.00 0.00 O ATOM 244 CB THR A 19 -4.215 -9.714 10.957 1.00 0.00 C ATOM 245 OG1 THR A 19 -5.424 -9.491 10.238 1.00 0.00 O ATOM 246 CG2 THR A 19 -3.327 -8.529 10.572 1.00 0.00 C ATOM 0 H THR A 19 -3.171 -10.840 8.385 1.00 0.00 H new ATOM 0 HA THR A 19 -3.190 -11.573 11.213 1.00 0.00 H new ATOM 0 HB THR A 19 -4.286 -9.776 12.043 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.271 -8.819 9.541 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.743 -7.612 10.989 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.323 -8.684 10.966 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.282 -8.446 9.486 1.00 0.00 H new ATOM 254 N PRO A 20 -5.746 -12.278 10.854 1.00 0.00 N ATOM 255 CA PRO A 20 -6.859 -13.156 10.536 1.00 0.00 C ATOM 256 C PRO A 20 -7.894 -12.437 9.668 1.00 0.00 C ATOM 257 O PRO A 20 -8.509 -13.047 8.795 1.00 0.00 O ATOM 258 CB PRO A 20 -7.413 -13.593 11.882 1.00 0.00 C ATOM 259 CG PRO A 20 -6.891 -12.585 12.894 1.00 0.00 C ATOM 260 CD PRO A 20 -5.778 -11.791 12.230 1.00 0.00 C ATOM 0 HA PRO A 20 -6.557 -14.021 9.945 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.503 -13.606 11.870 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.085 -14.602 12.131 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.692 -11.921 13.219 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.519 -13.094 13.783 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.979 -10.720 12.267 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.823 -11.953 12.730 1.00 0.00 H new ATOM 268 N ARG A 21 -8.054 -11.150 9.939 1.00 0.00 N ATOM 269 CA ARG A 21 -9.004 -10.341 9.194 1.00 0.00 C ATOM 270 C ARG A 21 -8.369 -9.837 7.897 1.00 0.00 C ATOM 271 O ARG A 21 -9.074 -9.460 6.962 1.00 0.00 O ATOM 272 CB ARG A 21 -9.476 -9.144 10.022 1.00 0.00 C ATOM 273 CG ARG A 21 -10.418 -9.590 11.142 1.00 0.00 C ATOM 274 CD ARG A 21 -11.882 -9.436 10.722 1.00 0.00 C ATOM 275 NE ARG A 21 -12.708 -9.069 11.893 1.00 0.00 N ATOM 276 CZ ARG A 21 -12.649 -7.881 12.512 1.00 0.00 C ATOM 277 NH1 ARG A 21 -11.802 -6.939 12.075 1.00 0.00 N ATOM 278 NH2 ARG A 21 -13.438 -7.636 13.568 1.00 0.00 N ATOM 0 H ARG A 21 -7.542 -10.647 10.664 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.864 -10.969 8.961 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.615 -8.630 10.449 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.986 -8.429 9.376 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.217 -10.630 11.398 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.229 -8.999 12.038 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.969 -8.671 9.951 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.245 -10.368 10.288 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.363 -9.763 12.252 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.202 -7.126 11.271 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.757 -6.035 12.546 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.083 -8.353 13.900 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.393 -6.732 14.039 1.00 0.00 H new ATOM 292 N GLY A 22 -7.044 -9.845 7.881 1.00 0.00 N ATOM 293 CA GLY A 22 -6.307 -9.393 6.714 1.00 0.00 C ATOM 294 C GLY A 22 -5.013 -8.686 7.123 1.00 0.00 C ATOM 295 O GLY A 22 -4.846 -8.312 8.283 1.00 0.00 O ATOM 0 H GLY A 22 -6.462 -10.158 8.658 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.074 -10.244 6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.927 -8.714 6.128 1.00 0.00 H new ATOM 299 N VAL A 23 -4.131 -8.523 6.148 1.00 0.00 N ATOM 300 CA VAL A 23 -2.858 -7.867 6.392 1.00 0.00 C ATOM 301 C VAL A 23 -3.058 -6.350 6.367 1.00 0.00 C ATOM 302 O VAL A 23 -3.435 -5.786 5.341 1.00 0.00 O ATOM 303 CB VAL A 23 -1.818 -8.349 5.378 1.00 0.00 C ATOM 304 CG1 VAL A 23 -2.264 -9.653 4.713 1.00 0.00 C ATOM 305 CG2 VAL A 23 -1.530 -7.270 4.332 1.00 0.00 C ATOM 0 H VAL A 23 -4.273 -8.834 5.187 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.476 -8.129 7.379 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.892 -8.548 5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.507 -9.974 3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.394 -10.423 5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.209 -9.492 4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.788 -7.639 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.449 -7.025 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.148 -6.377 4.826 1.00 0.00 H new ATOM 315 N LEU A 24 -2.796 -5.732 7.510 1.00 0.00 N ATOM 316 CA LEU A 24 -2.942 -4.292 7.632 1.00 0.00 C ATOM 317 C LEU A 24 -1.632 -3.614 7.224 1.00 0.00 C ATOM 318 O LEU A 24 -0.558 -4.010 7.673 1.00 0.00 O ATOM 319 CB LEU A 24 -3.415 -3.919 9.039 1.00 0.00 C ATOM 320 CG LEU A 24 -4.690 -3.076 9.116 1.00 0.00 C ATOM 321 CD1 LEU A 24 -5.236 -3.038 10.544 1.00 0.00 C ATOM 322 CD2 LEU A 24 -4.454 -1.672 8.555 1.00 0.00 C ATOM 0 H LEU A 24 -2.484 -6.203 8.359 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.714 -3.929 6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.576 -4.838 9.602 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.613 -3.376 9.538 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.450 -3.548 8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.142 -2.433 10.571 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.467 -4.051 10.872 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.489 -2.603 11.208 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.376 -1.094 8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.672 -1.177 9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.145 -1.744 7.512 1.00 0.00 H new ATOM 334 N LEU A 25 -1.765 -2.603 6.378 1.00 0.00 N ATOM 335 CA LEU A 25 -0.605 -1.867 5.904 1.00 0.00 C ATOM 336 C LEU A 25 -0.570 -0.493 6.577 1.00 0.00 C ATOM 337 O LEU A 25 -1.562 0.233 6.568 1.00 0.00 O ATOM 338 CB LEU A 25 -0.599 -1.803 4.376 1.00 0.00 C ATOM 339 CG LEU A 25 -0.719 -3.143 3.648 1.00 0.00 C ATOM 340 CD1 LEU A 25 -1.271 -2.952 2.234 1.00 0.00 C ATOM 341 CD2 LEU A 25 0.618 -3.887 3.645 1.00 0.00 C ATOM 0 H LEU A 25 -2.658 -2.276 6.009 1.00 0.00 H new ATOM 0 HA LEU A 25 0.314 -2.383 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.421 -1.163 4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.324 -1.320 4.056 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.432 -3.763 4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.346 -3.920 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.259 -2.494 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.602 -2.305 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.505 -4.836 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.370 -3.281 3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.932 -4.074 4.672 1.00 0.00 H new ATOM 353 N HIS A 26 0.585 -0.178 7.146 1.00 0.00 N ATOM 354 CA HIS A 26 0.763 1.095 7.822 1.00 0.00 C ATOM 355 C HIS A 26 1.786 1.942 7.062 1.00 0.00 C ATOM 356 O HIS A 26 2.878 1.471 6.750 1.00 0.00 O ATOM 357 CB HIS A 26 1.143 0.883 9.289 1.00 0.00 C ATOM 358 CG HIS A 26 0.318 -0.169 9.991 1.00 0.00 C ATOM 359 ND1 HIS A 26 0.717 -0.769 11.173 1.00 0.00 N ATOM 360 CD2 HIS A 26 -0.886 -0.721 9.666 1.00 0.00 C ATOM 361 CE1 HIS A 26 -0.212 -1.642 11.533 1.00 0.00 C ATOM 362 NE2 HIS A 26 -1.205 -1.611 10.598 1.00 0.00 N ATOM 0 H HIS A 26 1.406 -0.783 7.152 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.179 1.643 7.826 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.195 0.602 9.344 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.037 1.828 9.821 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.580 -0.572 11.680 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.479 -0.476 8.798 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.188 -2.268 12.412 1.00 0.00 H new ATOM 370 N TRP A 27 1.395 3.177 6.785 1.00 0.00 N ATOM 371 CA TRP A 27 2.263 4.094 6.066 1.00 0.00 C ATOM 372 C TRP A 27 2.195 5.454 6.763 1.00 0.00 C ATOM 373 O TRP A 27 1.436 5.631 7.714 1.00 0.00 O ATOM 374 CB TRP A 27 1.886 4.161 4.585 1.00 0.00 C ATOM 375 CG TRP A 27 0.483 4.713 4.325 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.090 5.994 4.312 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.705 3.944 4.040 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.259 6.107 4.040 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.757 4.821 3.869 1.00 0.00 C ATOM 380 CE3 TRP A 27 -0.884 2.554 3.929 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -3.062 4.405 3.578 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.194 2.154 3.638 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.264 3.024 3.464 1.00 0.00 C ATOM 0 H TRP A 27 0.488 3.564 7.046 1.00 0.00 H new ATOM 0 HA TRP A 27 3.295 3.743 6.087 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.613 4.784 4.063 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.957 3.161 4.157 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.746 6.833 4.492 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.792 6.974 3.976 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.075 1.850 4.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.869 5.111 3.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.386 1.096 3.542 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.247 2.636 3.242 1.00 0.00 H new ATOM 394 N ASP A 28 2.998 6.381 6.261 1.00 0.00 N ATOM 395 CA ASP A 28 3.037 7.720 6.824 1.00 0.00 C ATOM 396 C ASP A 28 2.671 8.735 5.739 1.00 0.00 C ATOM 397 O ASP A 28 2.937 8.511 4.559 1.00 0.00 O ATOM 398 CB ASP A 28 4.438 8.061 7.337 1.00 0.00 C ATOM 399 CG ASP A 28 4.562 8.164 8.858 1.00 0.00 C ATOM 400 OD1 ASP A 28 3.853 7.392 9.539 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.363 9.012 9.306 1.00 0.00 O ATOM 0 H ASP A 28 3.626 6.231 5.471 1.00 0.00 H new ATOM 0 HA ASP A 28 2.330 7.758 7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.134 7.301 6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.749 9.009 6.897 1.00 0.00 H new ATOM 406 N PRO A 29 2.052 9.859 6.189 1.00 0.00 N ATOM 407 CA PRO A 29 1.647 10.910 5.270 1.00 0.00 C ATOM 408 C PRO A 29 2.855 11.722 4.799 1.00 0.00 C ATOM 409 O PRO A 29 3.813 11.906 5.547 1.00 0.00 O ATOM 410 CB PRO A 29 0.637 11.741 6.043 1.00 0.00 C ATOM 411 CG PRO A 29 0.858 11.408 7.510 1.00 0.00 C ATOM 412 CD PRO A 29 1.722 10.159 7.579 1.00 0.00 C ATOM 0 HA PRO A 29 1.203 10.520 4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.783 12.805 5.858 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.381 11.501 5.737 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.346 12.238 8.021 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.095 11.241 8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.621 10.332 8.171 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.187 9.332 8.046 1.00 0.00 H new ATOM 420 N PRO A 30 2.767 12.199 3.528 1.00 0.00 N ATOM 421 CA PRO A 30 3.841 12.988 2.949 1.00 0.00 C ATOM 422 C PRO A 30 3.847 14.408 3.519 1.00 0.00 C ATOM 423 O PRO A 30 2.914 15.176 3.291 1.00 0.00 O ATOM 424 CB PRO A 30 3.592 12.950 1.450 1.00 0.00 C ATOM 425 CG PRO A 30 2.139 12.537 1.279 1.00 0.00 C ATOM 426 CD PRO A 30 1.646 12.001 2.613 1.00 0.00 C ATOM 0 HA PRO A 30 4.829 12.592 3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.777 13.925 0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.260 12.241 0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.535 13.388 0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.047 11.776 0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.759 12.536 2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.375 10.948 2.541 1.00 0.00 H new ATOM 434 N GLU A 31 4.910 14.714 4.248 1.00 0.00 N ATOM 435 CA GLU A 31 5.050 16.028 4.852 1.00 0.00 C ATOM 436 C GLU A 31 5.215 17.095 3.768 1.00 0.00 C ATOM 437 O GLU A 31 5.007 18.281 4.023 1.00 0.00 O ATOM 438 CB GLU A 31 6.223 16.058 5.834 1.00 0.00 C ATOM 439 CG GLU A 31 6.264 17.382 6.599 1.00 0.00 C ATOM 440 CD GLU A 31 5.774 17.199 8.037 1.00 0.00 C ATOM 441 OE1 GLU A 31 6.402 16.388 8.752 1.00 0.00 O ATOM 442 OE2 GLU A 31 4.783 17.875 8.389 1.00 0.00 O ATOM 0 H GLU A 31 5.683 14.075 4.434 1.00 0.00 H new ATOM 0 HA GLU A 31 4.142 16.247 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.134 15.230 6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.159 15.918 5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.282 17.772 6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.643 18.120 6.090 1.00 0.00 H new ATOM 449 N LEU A 32 5.587 16.636 2.582 1.00 0.00 N ATOM 450 CA LEU A 32 5.782 17.537 1.459 1.00 0.00 C ATOM 451 C LEU A 32 4.631 17.364 0.466 1.00 0.00 C ATOM 452 O LEU A 32 4.662 16.467 -0.376 1.00 0.00 O ATOM 453 CB LEU A 32 7.165 17.329 0.839 1.00 0.00 C ATOM 454 CG LEU A 32 8.357 17.757 1.698 1.00 0.00 C ATOM 455 CD1 LEU A 32 8.481 16.873 2.941 1.00 0.00 C ATOM 456 CD2 LEU A 32 9.647 17.775 0.876 1.00 0.00 C ATOM 0 H LEU A 32 5.758 15.652 2.374 1.00 0.00 H new ATOM 0 HA LEU A 32 5.761 18.574 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.278 16.272 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.205 17.877 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 32 8.182 18.776 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.336 17.198 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.573 16.955 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.623 15.836 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.478 18.082 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.841 16.778 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.542 18.478 0.050 1.00 0.00 H new ATOM 468 N VAL A 33 3.642 18.236 0.597 1.00 0.00 N ATOM 469 CA VAL A 33 2.483 18.191 -0.278 1.00 0.00 C ATOM 470 C VAL A 33 2.366 19.518 -1.031 1.00 0.00 C ATOM 471 O VAL A 33 2.688 20.574 -0.488 1.00 0.00 O ATOM 472 CB VAL A 33 1.230 17.849 0.530 1.00 0.00 C ATOM 473 CG1 VAL A 33 0.223 17.073 -0.321 1.00 0.00 C ATOM 474 CG2 VAL A 33 1.590 17.072 1.798 1.00 0.00 C ATOM 0 H VAL A 33 3.620 18.978 1.296 1.00 0.00 H new ATOM 0 HA VAL A 33 2.597 17.404 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 33 0.761 18.785 0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.658 16.843 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.070 17.677 -1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.678 16.146 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.681 16.842 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.094 16.145 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.252 17.676 2.419 1.00 0.00 H new ATOM 484 N PRO A 34 1.891 19.418 -2.301 1.00 0.00 N ATOM 485 CA PRO A 34 1.727 20.597 -3.134 1.00 0.00 C ATOM 486 C PRO A 34 0.502 21.407 -2.702 1.00 0.00 C ATOM 487 O PRO A 34 0.359 22.570 -3.076 1.00 0.00 O ATOM 488 CB PRO A 34 1.617 20.065 -4.553 1.00 0.00 C ATOM 489 CG PRO A 34 1.258 18.594 -4.420 1.00 0.00 C ATOM 490 CD PRO A 34 1.499 18.184 -2.976 1.00 0.00 C ATOM 0 HA PRO A 34 2.562 21.292 -3.048 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.854 20.604 -5.114 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.557 20.191 -5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.216 18.429 -4.695 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.865 17.990 -5.095 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.601 17.757 -2.530 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.281 17.428 -2.904 1.00 0.00 H new ATOM 498 N LYS A 35 -0.351 20.759 -1.922 1.00 0.00 N ATOM 499 CA LYS A 35 -1.559 21.404 -1.436 1.00 0.00 C ATOM 500 C LYS A 35 -2.377 20.399 -0.623 1.00 0.00 C ATOM 501 O LYS A 35 -2.246 20.330 0.598 1.00 0.00 O ATOM 502 CB LYS A 35 -2.334 22.033 -2.596 1.00 0.00 C ATOM 503 CG LYS A 35 -2.353 23.558 -2.479 1.00 0.00 C ATOM 504 CD LYS A 35 -3.298 24.175 -3.512 1.00 0.00 C ATOM 505 CE LYS A 35 -2.573 24.430 -4.835 1.00 0.00 C ATOM 506 NZ LYS A 35 -3.504 24.998 -5.836 1.00 0.00 N ATOM 0 H LYS A 35 -0.229 19.794 -1.615 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.309 22.227 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.878 21.743 -3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.355 21.653 -2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.667 23.845 -1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.346 23.950 -2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.144 23.509 -3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.701 25.112 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.741 25.115 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.151 23.498 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.995 25.165 -6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.284 24.331 -6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.887 25.898 -5.482 1.00 0.00 H new ATOM 520 N ARG A 36 -3.202 19.644 -1.333 1.00 0.00 N ATOM 521 CA ARG A 36 -4.041 18.646 -0.692 1.00 0.00 C ATOM 522 C ARG A 36 -3.843 17.281 -1.355 1.00 0.00 C ATOM 523 O ARG A 36 -3.527 17.204 -2.541 1.00 0.00 O ATOM 524 CB ARG A 36 -5.519 19.035 -0.773 1.00 0.00 C ATOM 525 CG ARG A 36 -5.955 19.235 -2.225 1.00 0.00 C ATOM 526 CD ARG A 36 -7.461 19.490 -2.316 1.00 0.00 C ATOM 527 NE ARG A 36 -7.713 20.841 -2.865 1.00 0.00 N ATOM 528 CZ ARG A 36 -7.748 21.958 -2.126 1.00 0.00 C ATOM 529 NH1 ARG A 36 -7.548 21.893 -0.803 1.00 0.00 N ATOM 530 NH2 ARG A 36 -7.984 23.141 -2.711 1.00 0.00 N ATOM 0 H ARG A 36 -3.307 19.703 -2.346 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.748 18.590 0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.129 18.259 -0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.689 19.952 -0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.413 20.076 -2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.696 18.353 -2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.928 18.737 -2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.914 19.399 -1.329 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.870 20.927 -3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.369 20.993 -0.358 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.575 22.744 -0.241 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.137 23.190 -3.718 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.011 23.992 -2.149 1.00 0.00 H new ATOM 544 N LEU A 37 -4.037 16.239 -0.560 1.00 0.00 N ATOM 545 CA LEU A 37 -3.884 14.882 -1.055 1.00 0.00 C ATOM 546 C LEU A 37 -5.220 14.396 -1.620 1.00 0.00 C ATOM 547 O LEU A 37 -6.252 14.502 -0.961 1.00 0.00 O ATOM 548 CB LEU A 37 -3.311 13.975 0.036 1.00 0.00 C ATOM 549 CG LEU A 37 -2.167 13.053 -0.390 1.00 0.00 C ATOM 550 CD1 LEU A 37 -0.920 13.296 0.463 1.00 0.00 C ATOM 551 CD2 LEU A 37 -2.605 11.587 -0.361 1.00 0.00 C ATOM 0 H LEU A 37 -4.299 16.307 0.423 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.163 14.854 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.959 14.603 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.119 13.359 0.431 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.903 13.290 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.122 12.628 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.596 14.330 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.152 13.103 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.773 10.953 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.912 11.319 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.442 11.444 -1.044 1.00 0.00 H new ATOM 563 N ASP A 38 -5.156 13.872 -2.836 1.00 0.00 N ATOM 564 CA ASP A 38 -6.348 13.369 -3.497 1.00 0.00 C ATOM 565 C ASP A 38 -6.565 11.906 -3.104 1.00 0.00 C ATOM 566 O ASP A 38 -7.700 11.433 -3.061 1.00 0.00 O ATOM 567 CB ASP A 38 -6.202 13.432 -5.019 1.00 0.00 C ATOM 568 CG ASP A 38 -7.518 13.380 -5.797 1.00 0.00 C ATOM 569 OD1 ASP A 38 -8.413 12.632 -5.348 1.00 0.00 O ATOM 570 OD2 ASP A 38 -7.598 14.088 -6.824 1.00 0.00 O ATOM 0 H ASP A 38 -4.298 13.785 -3.380 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.191 13.988 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.678 14.351 -5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.573 12.603 -5.343 1.00 0.00 H new ATOM 575 N GLY A 39 -5.460 11.231 -2.826 1.00 0.00 N ATOM 576 CA GLY A 39 -5.515 9.832 -2.438 1.00 0.00 C ATOM 577 C GLY A 39 -4.240 9.096 -2.854 1.00 0.00 C ATOM 578 O GLY A 39 -3.416 9.641 -3.587 1.00 0.00 O ATOM 0 H GLY A 39 -4.521 11.627 -2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.647 9.755 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.380 9.357 -2.900 1.00 0.00 H new ATOM 582 N TYR A 40 -4.116 7.870 -2.367 1.00 0.00 N ATOM 583 CA TYR A 40 -2.955 7.054 -2.679 1.00 0.00 C ATOM 584 C TYR A 40 -3.340 5.869 -3.566 1.00 0.00 C ATOM 585 O TYR A 40 -4.513 5.681 -3.883 1.00 0.00 O ATOM 586 CB TYR A 40 -2.439 6.527 -1.339 1.00 0.00 C ATOM 587 CG TYR A 40 -2.053 7.624 -0.345 1.00 0.00 C ATOM 588 CD1 TYR A 40 -3.022 8.214 0.442 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.737 8.024 -0.234 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.659 9.247 1.378 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.374 9.057 0.701 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.353 9.617 1.461 1.00 0.00 C ATOM 593 OH TYR A 40 -1.011 10.592 2.345 1.00 0.00 O ATOM 0 H TYR A 40 -4.801 7.422 -1.758 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.207 7.639 -3.215 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.206 5.897 -0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.571 5.893 -1.520 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.052 7.901 0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.021 7.562 -0.849 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.407 9.717 2.000 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.652 9.380 0.797 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.639 10.184 3.154 1.00 0.00 H new ATOM 603 N VAL A 41 -2.329 5.100 -3.942 1.00 0.00 N ATOM 604 CA VAL A 41 -2.546 3.938 -4.787 1.00 0.00 C ATOM 605 C VAL A 41 -1.786 2.743 -4.208 1.00 0.00 C ATOM 606 O VAL A 41 -0.562 2.671 -4.314 1.00 0.00 O ATOM 607 CB VAL A 41 -2.150 4.257 -6.229 1.00 0.00 C ATOM 608 CG1 VAL A 41 -2.166 2.996 -7.095 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.055 5.340 -6.820 1.00 0.00 C ATOM 0 H VAL A 41 -1.357 5.259 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.603 3.673 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.130 4.642 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.881 3.252 -8.115 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.461 2.269 -6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.168 2.567 -7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.752 5.548 -7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.089 4.995 -6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.970 6.250 -6.225 1.00 0.00 H new ATOM 619 N LEU A 42 -2.542 1.834 -3.610 1.00 0.00 N ATOM 620 CA LEU A 42 -1.955 0.646 -3.015 1.00 0.00 C ATOM 621 C LEU A 42 -1.768 -0.422 -4.095 1.00 0.00 C ATOM 622 O LEU A 42 -2.734 -0.845 -4.728 1.00 0.00 O ATOM 623 CB LEU A 42 -2.790 0.175 -1.823 1.00 0.00 C ATOM 624 CG LEU A 42 -2.291 -1.083 -1.109 1.00 0.00 C ATOM 625 CD1 LEU A 42 -0.762 -1.108 -1.046 1.00 0.00 C ATOM 626 CD2 LEU A 42 -2.924 -1.215 0.277 1.00 0.00 C ATOM 0 H LEU A 42 -3.557 1.897 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.967 0.870 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.839 0.986 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.808 -0.006 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.604 -1.951 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.434 -2.012 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.356 -1.096 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.406 -0.233 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.552 -2.117 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.664 -0.345 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.008 -1.277 0.178 1.00 0.00 H new ATOM 638 N GLU A 43 -0.519 -0.826 -4.273 1.00 0.00 N ATOM 639 CA GLU A 43 -0.194 -1.836 -5.266 1.00 0.00 C ATOM 640 C GLU A 43 0.580 -2.986 -4.619 1.00 0.00 C ATOM 641 O GLU A 43 1.614 -2.767 -3.990 1.00 0.00 O ATOM 642 CB GLU A 43 0.596 -1.229 -6.427 1.00 0.00 C ATOM 643 CG GLU A 43 -0.337 -0.812 -7.566 1.00 0.00 C ATOM 644 CD GLU A 43 0.146 0.482 -8.225 1.00 0.00 C ATOM 645 OE1 GLU A 43 0.519 1.401 -7.465 1.00 0.00 O ATOM 646 OE2 GLU A 43 0.132 0.522 -9.474 1.00 0.00 O ATOM 0 H GLU A 43 0.280 -0.472 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.125 -2.232 -5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.157 -0.363 -6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.323 -1.953 -6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.386 -1.607 -8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.347 -0.673 -7.181 1.00 0.00 H new ATOM 653 N GLY A 44 0.050 -4.187 -4.796 1.00 0.00 N ATOM 654 CA GLY A 44 0.677 -5.373 -4.237 1.00 0.00 C ATOM 655 C GLY A 44 0.907 -6.432 -5.317 1.00 0.00 C ATOM 656 O GLY A 44 0.527 -6.240 -6.471 1.00 0.00 O ATOM 0 H GLY A 44 -0.807 -4.365 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.628 -5.104 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.047 -5.784 -3.448 1.00 0.00 H new ATOM 660 N ARG A 45 1.527 -7.528 -4.904 1.00 0.00 N ATOM 661 CA ARG A 45 1.812 -8.618 -5.821 1.00 0.00 C ATOM 662 C ARG A 45 2.571 -9.734 -5.100 1.00 0.00 C ATOM 663 O ARG A 45 3.353 -9.469 -4.189 1.00 0.00 O ATOM 664 CB ARG A 45 2.641 -8.133 -7.012 1.00 0.00 C ATOM 665 CG ARG A 45 4.019 -7.646 -6.559 1.00 0.00 C ATOM 666 CD ARG A 45 5.032 -7.722 -7.704 1.00 0.00 C ATOM 667 NE ARG A 45 6.401 -7.863 -7.160 1.00 0.00 N ATOM 668 CZ ARG A 45 7.513 -7.539 -7.833 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.425 -7.055 -9.079 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.714 -7.700 -7.260 1.00 0.00 N ATOM 0 H ARG A 45 1.840 -7.684 -3.946 1.00 0.00 H new ATOM 0 HA ARG A 45 0.859 -9.001 -6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.756 -8.942 -7.733 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.115 -7.325 -7.521 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.946 -6.619 -6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.365 -8.252 -5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.800 -8.568 -8.350 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.967 -6.824 -8.319 1.00 0.00 H new ATOM 0 HE ARG A 45 6.504 -8.230 -6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.511 -6.933 -9.515 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.272 -6.808 -9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.781 -8.069 -6.312 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.561 -7.453 -7.772 1.00 0.00 H new ATOM 684 N GLN A 46 2.312 -10.958 -5.536 1.00 0.00 N ATOM 685 CA GLN A 46 2.961 -12.116 -4.943 1.00 0.00 C ATOM 686 C GLN A 46 3.915 -12.762 -5.949 1.00 0.00 C ATOM 687 O GLN A 46 3.763 -12.584 -7.157 1.00 0.00 O ATOM 688 CB GLN A 46 1.927 -13.126 -4.440 1.00 0.00 C ATOM 689 CG GLN A 46 1.085 -13.669 -5.595 1.00 0.00 C ATOM 690 CD GLN A 46 1.026 -15.198 -5.559 1.00 0.00 C ATOM 691 OE1 GLN A 46 1.982 -15.889 -5.869 1.00 0.00 O ATOM 692 NE2 GLN A 46 -0.147 -15.685 -5.164 1.00 0.00 N ATOM 0 H GLN A 46 1.662 -11.173 -6.292 1.00 0.00 H new ATOM 0 HA GLN A 46 3.542 -11.783 -4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.433 -13.949 -3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.278 -12.652 -3.704 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.076 -13.261 -5.537 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.508 -13.340 -6.544 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.906 -15.050 -4.919 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.287 -16.694 -5.106 1.00 0.00 H new ATOM 736 N GLY A 50 2.383 -9.726 -11.692 1.00 0.00 N ATOM 737 CA GLY A 50 2.295 -8.327 -12.071 1.00 0.00 C ATOM 738 C GLY A 50 1.674 -7.492 -10.949 1.00 0.00 C ATOM 739 O GLY A 50 0.772 -7.956 -10.252 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.290 -7.947 -12.304 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.696 -8.229 -12.976 1.00 0.00 H new ATOM 743 N TRP A 51 2.182 -6.277 -10.808 1.00 0.00 N ATOM 744 CA TRP A 51 1.688 -5.374 -9.782 1.00 0.00 C ATOM 745 C TRP A 51 0.185 -5.189 -9.998 1.00 0.00 C ATOM 746 O TRP A 51 -0.235 -4.584 -10.983 1.00 0.00 O ATOM 747 CB TRP A 51 2.461 -4.053 -9.797 1.00 0.00 C ATOM 748 CG TRP A 51 3.847 -4.136 -9.156 1.00 0.00 C ATOM 749 CD1 TRP A 51 5.037 -4.196 -9.768 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.141 -4.164 -7.743 1.00 0.00 C ATOM 751 NE1 TRP A 51 6.072 -4.262 -8.858 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.510 -4.241 -7.587 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.278 -4.125 -6.633 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.137 -4.287 -6.336 1.00 0.00 C ATOM 755 CZ3 TRP A 51 3.921 -4.172 -5.391 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.298 -4.250 -5.217 1.00 0.00 C ATOM 0 H TRP A 51 2.931 -5.896 -11.387 1.00 0.00 H new ATOM 0 HA TRP A 51 1.847 -5.794 -8.789 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.569 -3.719 -10.829 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.876 -3.295 -9.276 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.170 -4.193 -10.840 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.067 -4.316 -9.078 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.204 -4.064 -6.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.211 -4.348 -6.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.304 -4.146 -4.505 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.718 -4.282 -4.223 1.00 0.00 H new ATOM 767 N GLU A 52 -0.585 -5.722 -9.060 1.00 0.00 N ATOM 768 CA GLU A 52 -2.032 -5.624 -9.135 1.00 0.00 C ATOM 769 C GLU A 52 -2.545 -4.570 -8.152 1.00 0.00 C ATOM 770 O GLU A 52 -2.417 -4.733 -6.940 1.00 0.00 O ATOM 771 CB GLU A 52 -2.688 -6.982 -8.874 1.00 0.00 C ATOM 772 CG GLU A 52 -2.741 -7.286 -7.376 1.00 0.00 C ATOM 773 CD GLU A 52 -2.868 -8.791 -7.126 1.00 0.00 C ATOM 774 OE1 GLU A 52 -1.812 -9.459 -7.137 1.00 0.00 O ATOM 775 OE2 GLU A 52 -4.019 -9.238 -6.930 1.00 0.00 O ATOM 0 H GLU A 52 -0.233 -6.223 -8.244 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.303 -5.314 -10.144 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.697 -6.988 -9.286 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.130 -7.764 -9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.840 -6.908 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.587 -6.766 -6.925 1.00 0.00 H new ATOM 782 N VAL A 53 -3.113 -3.512 -8.712 1.00 0.00 N ATOM 783 CA VAL A 53 -3.645 -2.431 -7.899 1.00 0.00 C ATOM 784 C VAL A 53 -4.652 -3.000 -6.898 1.00 0.00 C ATOM 785 O VAL A 53 -5.677 -3.557 -7.290 1.00 0.00 O ATOM 786 CB VAL A 53 -4.244 -1.347 -8.798 1.00 0.00 C ATOM 787 CG1 VAL A 53 -4.957 -0.278 -7.967 1.00 0.00 C ATOM 788 CG2 VAL A 53 -3.170 -0.721 -9.691 1.00 0.00 C ATOM 0 H VAL A 53 -3.216 -3.380 -9.718 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.849 -1.957 -7.326 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.985 -1.818 -9.444 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.374 0.480 -8.630 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.761 -0.739 -7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.245 0.188 -7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.622 0.046 -10.320 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.396 -0.271 -9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.726 -1.492 -10.321 1.00 0.00 H new ATOM 798 N LEU A 54 -4.326 -2.840 -5.623 1.00 0.00 N ATOM 799 CA LEU A 54 -5.189 -3.331 -4.562 1.00 0.00 C ATOM 800 C LEU A 54 -6.246 -2.273 -4.240 1.00 0.00 C ATOM 801 O LEU A 54 -7.386 -2.606 -3.921 1.00 0.00 O ATOM 802 CB LEU A 54 -4.358 -3.759 -3.351 1.00 0.00 C ATOM 803 CG LEU A 54 -3.133 -4.625 -3.650 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.367 -4.953 -2.367 1.00 0.00 C ATOM 805 CD2 LEU A 54 -3.528 -5.887 -4.421 1.00 0.00 C ATOM 0 H LEU A 54 -3.476 -2.377 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.721 -4.225 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.025 -2.862 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.006 -4.305 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.460 -4.055 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.501 -5.570 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.034 -4.028 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.019 -5.495 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.639 -6.485 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.232 -6.471 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.995 -5.606 -5.365 1.00 0.00 H new ATOM 817 N ASP A 55 -5.829 -1.019 -4.335 1.00 0.00 N ATOM 818 CA ASP A 55 -6.726 0.091 -4.058 1.00 0.00 C ATOM 819 C ASP A 55 -6.180 1.359 -4.715 1.00 0.00 C ATOM 820 O ASP A 55 -5.200 1.935 -4.244 1.00 0.00 O ATOM 821 CB ASP A 55 -6.836 0.347 -2.553 1.00 0.00 C ATOM 822 CG ASP A 55 -8.046 1.181 -2.126 1.00 0.00 C ATOM 823 OD1 ASP A 55 -8.829 1.548 -3.028 1.00 0.00 O ATOM 824 OD2 ASP A 55 -8.160 1.431 -0.907 1.00 0.00 O ATOM 0 H ASP A 55 -4.882 -0.747 -4.600 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.709 -0.163 -4.454 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.875 -0.613 -2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.930 0.851 -2.218 1.00 0.00 H new ATOM 829 N PRO A 56 -6.854 1.769 -5.823 1.00 0.00 N ATOM 830 CA PRO A 56 -6.447 2.959 -6.550 1.00 0.00 C ATOM 831 C PRO A 56 -6.848 4.228 -5.794 1.00 0.00 C ATOM 832 O PRO A 56 -6.064 5.171 -5.697 1.00 0.00 O ATOM 833 CB PRO A 56 -7.119 2.840 -7.908 1.00 0.00 C ATOM 834 CG PRO A 56 -8.243 1.832 -7.730 1.00 0.00 C ATOM 835 CD PRO A 56 -8.019 1.113 -6.410 1.00 0.00 C ATOM 0 HA PRO A 56 -5.365 3.034 -6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.507 3.804 -8.237 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.411 2.506 -8.666 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.210 2.334 -7.732 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.252 1.120 -8.556 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.890 1.198 -5.760 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.838 0.049 -6.564 1.00 0.00 H new ATOM 843 N ALA A 57 -8.068 4.210 -5.278 1.00 0.00 N ATOM 844 CA ALA A 57 -8.582 5.347 -4.534 1.00 0.00 C ATOM 845 C ALA A 57 -8.452 5.071 -3.035 1.00 0.00 C ATOM 846 O ALA A 57 -9.202 4.270 -2.480 1.00 0.00 O ATOM 847 CB ALA A 57 -10.028 5.620 -4.953 1.00 0.00 C ATOM 0 H ALA A 57 -8.715 3.426 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.003 6.244 -4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.414 6.473 -4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.062 5.839 -6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.640 4.743 -4.743 1.00 0.00 H new ATOM 853 N VAL A 58 -7.494 5.751 -2.421 1.00 0.00 N ATOM 854 CA VAL A 58 -7.255 5.589 -0.997 1.00 0.00 C ATOM 855 C VAL A 58 -7.295 6.960 -0.319 1.00 0.00 C ATOM 856 O VAL A 58 -6.621 7.892 -0.756 1.00 0.00 O ATOM 857 CB VAL A 58 -5.938 4.846 -0.768 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.679 4.635 0.725 1.00 0.00 C ATOM 859 CG2 VAL A 58 -5.921 3.514 -1.521 1.00 0.00 C ATOM 0 H VAL A 58 -6.874 6.416 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.038 4.980 -0.545 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.132 5.465 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.736 4.104 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.626 5.602 1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.490 4.048 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.973 3.006 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.741 2.887 -1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.037 3.698 -2.589 1.00 0.00 H new ATOM 869 N ALA A 59 -8.090 7.039 0.738 1.00 0.00 N ATOM 870 CA ALA A 59 -8.226 8.280 1.480 1.00 0.00 C ATOM 871 C ALA A 59 -6.870 8.985 1.540 1.00 0.00 C ATOM 872 O ALA A 59 -5.869 8.381 1.925 1.00 0.00 O ATOM 873 CB ALA A 59 -8.791 7.984 2.871 1.00 0.00 C ATOM 0 H ALA A 59 -8.646 6.264 1.098 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.924 8.951 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.893 8.915 3.428 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.768 7.510 2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.115 7.315 3.404 1.00 0.00 H new ATOM 879 N GLY A 60 -6.879 10.252 1.155 1.00 0.00 N ATOM 880 CA GLY A 60 -5.662 11.045 1.160 1.00 0.00 C ATOM 881 C GLY A 60 -5.210 11.347 2.590 1.00 0.00 C ATOM 882 O GLY A 60 -4.114 11.863 2.802 1.00 0.00 O ATOM 0 H GLY A 60 -7.711 10.750 0.837 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.873 10.510 0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.830 11.979 0.623 1.00 0.00 H new ATOM 886 N THR A 61 -6.077 11.011 3.534 1.00 0.00 N ATOM 887 CA THR A 61 -5.780 11.239 4.938 1.00 0.00 C ATOM 888 C THR A 61 -5.498 9.912 5.645 1.00 0.00 C ATOM 889 O THR A 61 -4.986 9.898 6.764 1.00 0.00 O ATOM 890 CB THR A 61 -6.948 12.016 5.547 1.00 0.00 C ATOM 891 OG1 THR A 61 -8.084 11.196 5.289 1.00 0.00 O ATOM 892 CG2 THR A 61 -7.246 13.314 4.793 1.00 0.00 C ATOM 0 H THR A 61 -6.985 10.583 3.354 1.00 0.00 H new ATOM 0 HA THR A 61 -4.875 11.835 5.060 1.00 0.00 H new ATOM 0 HB THR A 61 -6.726 12.245 6.589 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.887 11.625 5.653 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.083 13.826 5.267 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.367 13.958 4.816 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.500 13.084 3.758 1.00 0.00 H new ATOM 900 N GLU A 62 -5.844 8.830 4.964 1.00 0.00 N ATOM 901 CA GLU A 62 -5.634 7.501 5.514 1.00 0.00 C ATOM 902 C GLU A 62 -4.146 7.264 5.775 1.00 0.00 C ATOM 903 O GLU A 62 -3.294 7.916 5.173 1.00 0.00 O ATOM 904 CB GLU A 62 -6.206 6.427 4.586 1.00 0.00 C ATOM 905 CG GLU A 62 -7.574 5.950 5.078 1.00 0.00 C ATOM 906 CD GLU A 62 -7.425 4.841 6.122 1.00 0.00 C ATOM 907 OE1 GLU A 62 -6.591 5.030 7.034 1.00 0.00 O ATOM 908 OE2 GLU A 62 -8.148 3.831 5.985 1.00 0.00 O ATOM 0 H GLU A 62 -6.268 8.846 4.037 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.165 7.434 6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.298 6.825 3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.519 5.582 4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.122 6.788 5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.160 5.584 4.235 1.00 0.00 H new ATOM 915 N THR A 63 -3.877 6.328 6.674 1.00 0.00 N ATOM 916 CA THR A 63 -2.506 5.996 7.022 1.00 0.00 C ATOM 917 C THR A 63 -2.313 4.478 7.044 1.00 0.00 C ATOM 918 O THR A 63 -1.285 3.986 7.506 1.00 0.00 O ATOM 919 CB THR A 63 -2.181 6.669 8.357 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.399 6.587 9.093 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.935 8.172 8.210 1.00 0.00 C ATOM 0 H THR A 63 -4.586 5.789 7.172 1.00 0.00 H new ATOM 0 HA THR A 63 -1.807 6.370 6.274 1.00 0.00 H new ATOM 0 HB THR A 63 -1.301 6.198 8.796 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.465 5.707 9.519 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.709 8.601 9.186 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.094 8.339 7.537 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.827 8.648 7.802 1.00 0.00 H new ATOM 929 N GLU A 64 -3.319 3.779 6.539 1.00 0.00 N ATOM 930 CA GLU A 64 -3.273 2.328 6.495 1.00 0.00 C ATOM 931 C GLU A 64 -4.499 1.780 5.760 1.00 0.00 C ATOM 932 O GLU A 64 -5.450 2.515 5.499 1.00 0.00 O ATOM 933 CB GLU A 64 -3.171 1.739 7.903 1.00 0.00 C ATOM 934 CG GLU A 64 -4.117 2.458 8.868 1.00 0.00 C ATOM 935 CD GLU A 64 -3.351 3.027 10.064 1.00 0.00 C ATOM 936 OE1 GLU A 64 -2.520 3.931 9.828 1.00 0.00 O ATOM 937 OE2 GLU A 64 -3.614 2.546 11.187 1.00 0.00 O ATOM 0 H GLU A 64 -4.170 4.191 6.157 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.380 2.029 5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.413 0.677 7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.146 1.823 8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.632 3.264 8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.882 1.764 9.218 1.00 0.00 H new ATOM 944 N LEU A 65 -4.436 0.494 5.447 1.00 0.00 N ATOM 945 CA LEU A 65 -5.528 -0.160 4.747 1.00 0.00 C ATOM 946 C LEU A 65 -5.406 -1.675 4.923 1.00 0.00 C ATOM 947 O LEU A 65 -4.310 -2.192 5.137 1.00 0.00 O ATOM 948 CB LEU A 65 -5.573 0.288 3.285 1.00 0.00 C ATOM 949 CG LEU A 65 -6.585 -0.434 2.393 1.00 0.00 C ATOM 950 CD1 LEU A 65 -8.002 0.088 2.638 1.00 0.00 C ATOM 951 CD2 LEU A 65 -6.185 -0.336 0.919 1.00 0.00 C ATOM 0 H LEU A 65 -3.645 -0.112 5.665 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.486 0.135 5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.793 1.355 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.580 0.156 2.855 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.581 -1.491 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.702 -0.442 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.275 -0.076 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.040 1.155 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.921 -0.857 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.143 0.712 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.206 -0.793 0.777 1.00 0.00 H new ATOM 963 N LEU A 66 -6.545 -2.344 4.825 1.00 0.00 N ATOM 964 CA LEU A 66 -6.579 -3.790 4.970 1.00 0.00 C ATOM 965 C LEU A 66 -6.612 -4.436 3.584 1.00 0.00 C ATOM 966 O LEU A 66 -7.401 -4.038 2.728 1.00 0.00 O ATOM 967 CB LEU A 66 -7.740 -4.210 5.873 1.00 0.00 C ATOM 968 CG LEU A 66 -7.706 -5.653 6.381 1.00 0.00 C ATOM 969 CD1 LEU A 66 -7.083 -5.728 7.777 1.00 0.00 C ATOM 970 CD2 LEU A 66 -9.101 -6.281 6.342 1.00 0.00 C ATOM 0 H LEU A 66 -7.452 -1.912 4.647 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.676 -4.145 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.764 -3.543 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.672 -4.060 5.327 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.072 -6.236 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.071 -6.764 8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.063 -5.346 7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.671 -5.127 8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.049 -7.306 6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.777 -5.704 6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.472 -6.280 5.317 1.00 0.00 H new ATOM 982 N VAL A 67 -5.747 -5.424 3.406 1.00 0.00 N ATOM 983 CA VAL A 67 -5.667 -6.129 2.138 1.00 0.00 C ATOM 984 C VAL A 67 -5.729 -7.637 2.394 1.00 0.00 C ATOM 985 O VAL A 67 -4.697 -8.305 2.434 1.00 0.00 O ATOM 986 CB VAL A 67 -4.409 -5.702 1.379 1.00 0.00 C ATOM 987 CG1 VAL A 67 -4.201 -6.565 0.133 1.00 0.00 C ATOM 988 CG2 VAL A 67 -4.466 -4.218 1.015 1.00 0.00 C ATOM 0 H VAL A 67 -5.096 -5.753 4.119 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.515 -5.871 1.503 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.553 -5.853 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.300 -6.241 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.094 -7.609 0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.061 -6.461 -0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.560 -3.940 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.335 -4.031 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.544 -3.623 1.925 1.00 0.00 H new ATOM 998 N PRO A 68 -6.980 -8.140 2.565 1.00 0.00 N ATOM 999 CA PRO A 68 -7.190 -9.556 2.815 1.00 0.00 C ATOM 1000 C PRO A 68 -6.998 -10.374 1.536 1.00 0.00 C ATOM 1001 O PRO A 68 -6.985 -11.603 1.577 1.00 0.00 O ATOM 1002 CB PRO A 68 -8.599 -9.652 3.376 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.292 -8.357 2.986 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.225 -7.378 2.524 1.00 0.00 C ATOM 0 HA PRO A 68 -6.467 -9.970 3.518 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -9.124 -10.515 2.967 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.581 -9.774 4.459 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.016 -8.536 2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.843 -7.949 3.833 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.432 -7.012 1.518 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.178 -6.507 3.177 1.00 0.00 H new ATOM 1012 N GLY A 69 -6.854 -9.658 0.431 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.664 -10.302 -0.858 1.00 0.00 C ATOM 1014 C GLY A 69 -5.242 -10.850 -0.992 1.00 0.00 C ATOM 1015 O GLY A 69 -4.565 -10.592 -1.987 1.00 0.00 O ATOM 0 H GLY A 69 -6.865 -8.638 0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.383 -11.113 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.859 -9.588 -1.658 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.831 -11.595 0.023 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.502 -12.182 0.030 1.00 0.00 C ATOM 1021 C LEU A 70 -3.620 -13.704 -0.068 1.00 0.00 C ATOM 1022 O LEU A 70 -4.683 -14.266 0.192 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.712 -11.704 1.251 1.00 0.00 C ATOM 1024 CG LEU A 70 -2.350 -10.218 1.275 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.990 -9.996 1.939 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.407 -9.616 -0.130 1.00 0.00 C ATOM 0 H LEU A 70 -5.395 -11.806 0.846 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.934 -11.850 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.292 -11.931 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.791 -12.283 1.313 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.092 -9.696 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.757 -8.931 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.021 -10.365 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.222 -10.534 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.145 -8.559 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.702 -10.136 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.415 -9.723 -0.531 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.514 -14.329 -0.443 1.00 0.00 N ATOM 1039 CA ILE A 71 -2.480 -15.775 -0.579 1.00 0.00 C ATOM 1040 C ILE A 71 -1.446 -16.350 0.391 1.00 0.00 C ATOM 1041 O ILE A 71 -0.562 -15.634 0.858 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.242 -16.171 -2.038 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.215 -15.445 -2.969 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -2.307 -17.690 -2.211 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.479 -16.277 -3.197 1.00 0.00 C ATOM 0 H ILE A 71 -1.634 -13.860 -0.657 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.444 -16.206 -0.310 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.236 -15.858 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.483 -14.480 -2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.729 -15.245 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.135 -17.945 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.542 -18.160 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.290 -18.049 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.154 -15.738 -3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.210 -17.232 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.975 -16.454 -2.243 1.00 0.00 H new ATOM 1057 N LYS A 72 -1.591 -17.638 0.666 1.00 0.00 N ATOM 1058 CA LYS A 72 -0.681 -18.317 1.572 1.00 0.00 C ATOM 1059 C LYS A 72 0.402 -19.031 0.760 1.00 0.00 C ATOM 1060 O LYS A 72 0.186 -19.377 -0.401 1.00 0.00 O ATOM 1061 CB LYS A 72 -1.454 -19.243 2.514 1.00 0.00 C ATOM 1062 CG LYS A 72 -1.830 -20.550 1.812 1.00 0.00 C ATOM 1063 CD LYS A 72 -3.329 -20.826 1.934 1.00 0.00 C ATOM 1064 CE LYS A 72 -3.892 -21.385 0.626 1.00 0.00 C ATOM 1065 NZ LYS A 72 -5.336 -21.680 0.768 1.00 0.00 N ATOM 0 H LYS A 72 -2.325 -18.229 0.277 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.175 -17.596 2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.849 -19.460 3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.356 -18.741 2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.551 -20.495 0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.268 -21.376 2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.507 -21.534 2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.852 -19.906 2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.739 -20.667 -0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.355 -22.292 0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.703 -22.059 -0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.474 -22.382 1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.847 -20.807 1.010 1.00 0.00 H new ATOM 1079 N ASP A 73 1.543 -19.231 1.402 1.00 0.00 N ATOM 1080 CA ASP A 73 2.660 -19.897 0.754 1.00 0.00 C ATOM 1081 C ASP A 73 3.275 -18.958 -0.286 1.00 0.00 C ATOM 1082 O ASP A 73 4.143 -19.363 -1.057 1.00 0.00 O ATOM 1083 CB ASP A 73 2.201 -21.166 0.032 1.00 0.00 C ATOM 1084 CG ASP A 73 3.069 -22.401 0.280 1.00 0.00 C ATOM 1085 OD1 ASP A 73 3.106 -22.843 1.449 1.00 0.00 O ATOM 1086 OD2 ASP A 73 3.675 -22.875 -0.705 1.00 0.00 O ATOM 0 H ASP A 73 1.718 -18.943 2.365 1.00 0.00 H new ATOM 0 HA ASP A 73 3.386 -20.162 1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.179 -21.391 0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.176 -20.967 -1.039 1.00 0.00 H new ATOM 1091 N VAL A 74 2.800 -17.721 -0.273 1.00 0.00 N ATOM 1092 CA VAL A 74 3.292 -16.721 -1.205 1.00 0.00 C ATOM 1093 C VAL A 74 3.762 -15.491 -0.426 1.00 0.00 C ATOM 1094 O VAL A 74 3.574 -15.412 0.787 1.00 0.00 O ATOM 1095 CB VAL A 74 2.215 -16.397 -2.242 1.00 0.00 C ATOM 1096 CG1 VAL A 74 1.712 -17.670 -2.926 1.00 0.00 C ATOM 1097 CG2 VAL A 74 1.059 -15.622 -1.608 1.00 0.00 C ATOM 0 H VAL A 74 2.080 -17.389 0.368 1.00 0.00 H new ATOM 0 HA VAL A 74 4.151 -17.103 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 74 2.665 -15.762 -3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.947 -17.412 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.543 -18.166 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.287 -18.341 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.307 -15.404 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.611 -16.221 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.433 -14.688 -1.190 1.00 0.00 H new ATOM 1107 N LEU A 75 4.362 -14.562 -1.155 1.00 0.00 N ATOM 1108 CA LEU A 75 4.860 -13.340 -0.547 1.00 0.00 C ATOM 1109 C LEU A 75 4.292 -12.134 -1.299 1.00 0.00 C ATOM 1110 O LEU A 75 4.854 -11.705 -2.306 1.00 0.00 O ATOM 1111 CB LEU A 75 6.388 -13.358 -0.480 1.00 0.00 C ATOM 1112 CG LEU A 75 7.011 -12.744 0.776 1.00 0.00 C ATOM 1113 CD1 LEU A 75 6.023 -11.810 1.478 1.00 0.00 C ATOM 1114 CD2 LEU A 75 7.538 -13.831 1.714 1.00 0.00 C ATOM 0 H LEU A 75 4.515 -14.631 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 75 4.520 -13.263 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.723 -14.392 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.776 -12.829 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 75 7.865 -12.139 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.491 -11.387 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.739 -11.005 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.135 -12.371 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.975 -13.368 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.717 -14.482 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.298 -14.419 1.199 1.00 0.00 H new ATOM 1126 N TYR A 76 3.186 -11.621 -0.781 1.00 0.00 N ATOM 1127 CA TYR A 76 2.536 -10.473 -1.391 1.00 0.00 C ATOM 1128 C TYR A 76 3.212 -9.169 -0.963 1.00 0.00 C ATOM 1129 O TYR A 76 3.371 -8.911 0.229 1.00 0.00 O ATOM 1130 CB TYR A 76 1.095 -10.481 -0.875 1.00 0.00 C ATOM 1131 CG TYR A 76 0.079 -11.031 -1.878 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.201 -12.382 -1.906 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.559 -10.176 -2.753 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -1.158 -12.900 -2.850 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.516 -10.693 -3.696 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.768 -12.030 -3.698 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.672 -12.518 -4.589 1.00 0.00 O ATOM 0 H TYR A 76 2.723 -11.979 0.054 1.00 0.00 H new ATOM 0 HA TYR A 76 2.591 -10.533 -2.478 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.049 -11.077 0.037 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.811 -9.464 -0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.297 -13.051 -1.220 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.340 -9.119 -2.730 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.386 -13.955 -2.883 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.022 -10.035 -4.386 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.028 -11.782 -5.130 1.00 0.00 H new ATOM 1147 N GLU A 77 3.590 -8.382 -1.958 1.00 0.00 N ATOM 1148 CA GLU A 77 4.245 -7.111 -1.700 1.00 0.00 C ATOM 1149 C GLU A 77 3.209 -5.988 -1.611 1.00 0.00 C ATOM 1150 O GLU A 77 2.009 -6.237 -1.716 1.00 0.00 O ATOM 1151 CB GLU A 77 5.294 -6.806 -2.771 1.00 0.00 C ATOM 1152 CG GLU A 77 6.636 -7.451 -2.424 1.00 0.00 C ATOM 1153 CD GLU A 77 7.391 -7.863 -3.690 1.00 0.00 C ATOM 1154 OE1 GLU A 77 7.721 -6.948 -4.476 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.620 -9.082 -3.844 1.00 0.00 O ATOM 0 H GLU A 77 3.455 -8.600 -2.945 1.00 0.00 H new ATOM 0 HA GLU A 77 4.761 -7.179 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.949 -7.173 -3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.419 -5.727 -2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.241 -6.752 -1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.471 -8.325 -1.794 1.00 0.00 H new ATOM 1162 N PHE A 78 3.711 -4.777 -1.419 1.00 0.00 N ATOM 1163 CA PHE A 78 2.844 -3.616 -1.315 1.00 0.00 C ATOM 1164 C PHE A 78 3.622 -2.325 -1.580 1.00 0.00 C ATOM 1165 O PHE A 78 4.787 -2.210 -1.202 1.00 0.00 O ATOM 1166 CB PHE A 78 2.304 -3.587 0.116 1.00 0.00 C ATOM 1167 CG PHE A 78 1.373 -4.754 0.454 1.00 0.00 C ATOM 1168 CD1 PHE A 78 0.167 -4.863 -0.166 1.00 0.00 C ATOM 1169 CD2 PHE A 78 1.752 -5.682 1.373 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.696 -5.945 0.148 1.00 0.00 C ATOM 1171 CE2 PHE A 78 0.888 -6.765 1.686 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.318 -6.873 1.067 1.00 0.00 C ATOM 0 H PHE A 78 4.707 -4.575 -1.333 1.00 0.00 H new ATOM 0 HA PHE A 78 2.043 -3.683 -2.051 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.144 -3.593 0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.768 -2.651 0.272 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.133 -4.127 -0.897 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.710 -5.596 1.865 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.654 -6.031 -0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.189 -7.503 2.415 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.976 -7.696 1.305 1.00 0.00 H new ATOM 1182 N ARG A 79 2.946 -1.387 -2.227 1.00 0.00 N ATOM 1183 CA ARG A 79 3.559 -0.109 -2.547 1.00 0.00 C ATOM 1184 C ARG A 79 2.492 0.983 -2.642 1.00 0.00 C ATOM 1185 O ARG A 79 1.531 0.852 -3.398 1.00 0.00 O ATOM 1186 CB ARG A 79 4.325 -0.181 -3.869 1.00 0.00 C ATOM 1187 CG ARG A 79 3.363 -0.267 -5.056 1.00 0.00 C ATOM 1188 CD ARG A 79 4.100 -0.682 -6.331 1.00 0.00 C ATOM 1189 NE ARG A 79 3.624 0.126 -7.476 1.00 0.00 N ATOM 1190 CZ ARG A 79 4.011 -0.067 -8.744 1.00 0.00 C ATOM 1191 NH1 ARG A 79 4.882 -1.043 -9.037 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.527 0.714 -9.719 1.00 0.00 N ATOM 0 H ARG A 79 1.980 -1.486 -2.538 1.00 0.00 H new ATOM 0 HA ARG A 79 4.259 0.132 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.960 0.699 -3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.983 -1.050 -3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.574 -0.986 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.881 0.699 -5.208 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.174 -0.546 -6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.934 -1.741 -6.529 1.00 0.00 H new ATOM 0 HE ARG A 79 2.960 0.877 -7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.250 -1.638 -8.295 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.177 -1.190 -10.002 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.864 1.456 -9.496 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.822 0.567 -10.684 1.00 0.00 H new ATOM 1206 N LEU A 80 2.697 2.036 -1.864 1.00 0.00 N ATOM 1207 CA LEU A 80 1.764 3.150 -1.851 1.00 0.00 C ATOM 1208 C LEU A 80 2.335 4.297 -2.687 1.00 0.00 C ATOM 1209 O LEU A 80 3.522 4.607 -2.594 1.00 0.00 O ATOM 1210 CB LEU A 80 1.424 3.547 -0.413 1.00 0.00 C ATOM 1211 CG LEU A 80 -0.042 3.892 -0.142 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -0.971 2.805 -0.687 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.277 4.154 1.347 1.00 0.00 C ATOM 0 H LEU A 80 3.496 2.141 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 80 0.818 2.861 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.712 2.729 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.036 4.407 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.280 4.814 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.007 3.075 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.828 2.710 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.741 1.855 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.327 4.397 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.016 3.263 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.344 4.989 1.672 1.00 0.00 H new ATOM 1225 N VAL A 81 1.463 4.896 -3.486 1.00 0.00 N ATOM 1226 CA VAL A 81 1.866 6.002 -4.338 1.00 0.00 C ATOM 1227 C VAL A 81 0.897 7.170 -4.141 1.00 0.00 C ATOM 1228 O VAL A 81 -0.233 7.132 -4.626 1.00 0.00 O ATOM 1229 CB VAL A 81 1.954 5.536 -5.792 1.00 0.00 C ATOM 1230 CG1 VAL A 81 2.071 6.729 -6.743 1.00 0.00 C ATOM 1231 CG2 VAL A 81 3.119 4.564 -5.987 1.00 0.00 C ATOM 0 H VAL A 81 0.480 4.636 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 81 2.860 6.355 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 81 1.032 5.006 -6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.132 6.371 -7.771 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.195 7.369 -6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.969 7.299 -6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.159 4.248 -7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.054 5.058 -5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.976 3.692 -5.349 1.00 0.00 H new ATOM 1241 N ALA A 82 1.375 8.180 -3.429 1.00 0.00 N ATOM 1242 CA ALA A 82 0.565 9.357 -3.163 1.00 0.00 C ATOM 1243 C ALA A 82 0.481 10.210 -4.430 1.00 0.00 C ATOM 1244 O ALA A 82 1.487 10.431 -5.102 1.00 0.00 O ATOM 1245 CB ALA A 82 1.157 10.126 -1.980 1.00 0.00 C ATOM 0 H ALA A 82 2.313 8.208 -3.028 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.451 9.071 -2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.550 11.009 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.168 9.485 -1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.176 10.432 -2.218 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.729 10.666 -4.719 1.00 0.00 N ATOM 1252 CA PHE A 83 -0.958 11.490 -5.893 1.00 0.00 C ATOM 1253 C PHE A 83 -1.932 12.629 -5.583 1.00 0.00 C ATOM 1254 O PHE A 83 -2.895 12.442 -4.841 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.574 10.585 -6.962 1.00 0.00 C ATOM 1256 CG PHE A 83 -2.959 10.045 -6.597 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -4.049 10.853 -6.686 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -3.099 8.757 -6.183 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.334 10.352 -6.347 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -4.384 8.256 -5.844 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.474 9.064 -5.934 1.00 0.00 C ATOM 0 H PHE A 83 -1.561 10.480 -4.160 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.019 11.932 -6.226 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.647 11.141 -7.897 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.904 9.745 -7.143 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.938 11.876 -7.014 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.233 8.115 -6.112 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.200 10.994 -6.417 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.495 7.233 -5.515 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.451 8.683 -5.677 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.647 13.784 -6.167 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.486 14.952 -5.962 1.00 0.00 C ATOM 1273 C ALA A 84 -2.978 15.465 -7.317 1.00 0.00 C ATOM 1274 O ALA A 84 -2.223 16.092 -8.059 1.00 0.00 O ATOM 1275 CB ALA A 84 -1.702 16.013 -5.187 1.00 0.00 C ATOM 0 H ALA A 84 -0.847 13.935 -6.782 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.363 14.696 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.331 16.890 -5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.400 15.609 -4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.816 16.297 -5.754 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.241 15.180 -7.599 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.842 15.604 -8.851 1.00 0.00 C ATOM 1283 C GLY A 85 -3.784 15.746 -9.948 1.00 0.00 C ATOM 1284 O GLY A 85 -3.206 16.818 -10.122 1.00 0.00 O ATOM 0 H GLY A 85 -4.864 14.660 -6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.596 14.880 -9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.353 16.556 -8.709 1.00 0.00 H new ATOM 1288 N SER A 86 -3.564 14.650 -10.658 1.00 0.00 N ATOM 1289 CA SER A 86 -2.586 14.639 -11.733 1.00 0.00 C ATOM 1290 C SER A 86 -1.220 14.211 -11.192 1.00 0.00 C ATOM 1291 O SER A 86 -0.658 13.211 -11.638 1.00 0.00 O ATOM 1292 CB SER A 86 -2.485 16.012 -12.400 1.00 0.00 C ATOM 1293 OG SER A 86 -2.061 15.916 -13.757 1.00 0.00 O ATOM 0 H SER A 86 -4.046 13.763 -10.510 1.00 0.00 H new ATOM 0 HA SER A 86 -2.913 13.922 -12.486 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.455 16.508 -12.357 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.784 16.634 -11.844 1.00 0.00 H new ATOM 0 HG SER A 86 -2.011 16.813 -14.148 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.725 14.988 -10.240 1.00 0.00 N ATOM 1300 CA PHE A 87 0.564 14.701 -9.635 1.00 0.00 C ATOM 1301 C PHE A 87 0.584 13.299 -9.024 1.00 0.00 C ATOM 1302 O PHE A 87 -0.384 12.880 -8.391 1.00 0.00 O ATOM 1303 CB PHE A 87 0.775 15.731 -8.523 1.00 0.00 C ATOM 1304 CG PHE A 87 1.210 17.110 -9.026 1.00 0.00 C ATOM 1305 CD1 PHE A 87 0.969 17.470 -10.315 1.00 0.00 C ATOM 1306 CD2 PHE A 87 1.837 17.974 -8.184 1.00 0.00 C ATOM 1307 CE1 PHE A 87 1.372 18.749 -10.782 1.00 0.00 C ATOM 1308 CE2 PHE A 87 2.240 19.253 -8.651 1.00 0.00 C ATOM 1309 CZ PHE A 87 1.999 19.614 -9.940 1.00 0.00 C ATOM 0 H PHE A 87 -1.194 15.816 -9.873 1.00 0.00 H new ATOM 0 HA PHE A 87 1.348 14.750 -10.391 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.152 15.837 -7.959 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.528 15.354 -7.831 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.471 16.783 -10.983 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.028 17.688 -7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.181 19.035 -11.806 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.738 19.939 -7.982 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.305 20.587 -10.295 1.00 0.00 H new ATOM 1319 N VAL A 88 1.696 12.611 -9.236 1.00 0.00 N ATOM 1320 CA VAL A 88 1.855 11.264 -8.715 1.00 0.00 C ATOM 1321 C VAL A 88 3.229 11.136 -8.054 1.00 0.00 C ATOM 1322 O VAL A 88 4.243 11.502 -8.646 1.00 0.00 O ATOM 1323 CB VAL A 88 1.629 10.241 -9.830 1.00 0.00 C ATOM 1324 CG1 VAL A 88 2.310 8.911 -9.500 1.00 0.00 C ATOM 1325 CG2 VAL A 88 0.136 10.042 -10.098 1.00 0.00 C ATOM 0 H VAL A 88 2.496 12.962 -9.762 1.00 0.00 H new ATOM 0 HA VAL A 88 1.106 11.060 -7.949 1.00 0.00 H new ATOM 0 HB VAL A 88 2.083 10.632 -10.741 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.134 8.202 -10.309 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.382 9.070 -9.384 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.900 8.513 -8.572 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.004 9.310 -10.895 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.352 9.684 -9.191 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.309 10.990 -10.399 1.00 0.00 H new ATOM 1335 N SER A 89 3.218 10.614 -6.836 1.00 0.00 N ATOM 1336 CA SER A 89 4.451 10.433 -6.089 1.00 0.00 C ATOM 1337 C SER A 89 4.993 9.019 -6.309 1.00 0.00 C ATOM 1338 O SER A 89 4.286 8.152 -6.820 1.00 0.00 O ATOM 1339 CB SER A 89 4.234 10.692 -4.597 1.00 0.00 C ATOM 1340 OG SER A 89 3.481 9.652 -3.979 1.00 0.00 O ATOM 0 H SER A 89 2.375 10.311 -6.348 1.00 0.00 H new ATOM 0 HA SER A 89 5.181 11.156 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.200 10.784 -4.101 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.716 11.642 -4.465 1.00 0.00 H new ATOM 0 HG SER A 89 2.809 9.316 -4.609 1.00 0.00 H new ATOM 1346 N ASP A 90 6.243 8.830 -5.913 1.00 0.00 N ATOM 1347 CA ASP A 90 6.888 7.537 -6.060 1.00 0.00 C ATOM 1348 C ASP A 90 6.269 6.547 -5.071 1.00 0.00 C ATOM 1349 O ASP A 90 5.723 6.950 -4.044 1.00 0.00 O ATOM 1350 CB ASP A 90 8.385 7.630 -5.760 1.00 0.00 C ATOM 1351 CG ASP A 90 9.256 8.057 -6.943 1.00 0.00 C ATOM 1352 OD1 ASP A 90 9.062 9.202 -7.407 1.00 0.00 O ATOM 1353 OD2 ASP A 90 10.097 7.230 -7.356 1.00 0.00 O ATOM 0 H ASP A 90 6.827 9.552 -5.490 1.00 0.00 H new ATOM 0 HA ASP A 90 6.746 7.206 -7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.534 8.338 -4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.730 6.659 -5.406 1.00 0.00 H new ATOM 1358 N PRO A 91 6.376 5.238 -5.424 1.00 0.00 N ATOM 1359 CA PRO A 91 5.833 4.188 -4.579 1.00 0.00 C ATOM 1360 C PRO A 91 6.714 3.965 -3.348 1.00 0.00 C ATOM 1361 O PRO A 91 7.773 3.346 -3.442 1.00 0.00 O ATOM 1362 CB PRO A 91 5.747 2.966 -5.478 1.00 0.00 C ATOM 1363 CG PRO A 91 6.672 3.245 -6.651 1.00 0.00 C ATOM 1364 CD PRO A 91 7.016 4.725 -6.632 1.00 0.00 C ATOM 0 HA PRO A 91 4.852 4.438 -4.174 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.054 2.066 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.724 2.802 -5.818 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.577 2.642 -6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.188 2.978 -7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.094 4.881 -6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.643 5.230 -7.523 1.00 0.00 H new ATOM 1372 N SER A 92 6.243 4.480 -2.222 1.00 0.00 N ATOM 1373 CA SER A 92 6.975 4.345 -0.974 1.00 0.00 C ATOM 1374 C SER A 92 7.573 2.940 -0.867 1.00 0.00 C ATOM 1375 O SER A 92 7.157 2.029 -1.581 1.00 0.00 O ATOM 1376 CB SER A 92 6.071 4.629 0.228 1.00 0.00 C ATOM 1377 OG SER A 92 4.928 3.780 0.249 1.00 0.00 O ATOM 0 H SER A 92 5.364 4.991 -2.148 1.00 0.00 H new ATOM 0 HA SER A 92 7.782 5.078 -0.970 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.639 4.495 1.148 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.749 5.670 0.201 1.00 0.00 H new ATOM 0 HG SER A 92 4.361 4.013 1.014 1.00 0.00 H new ATOM 1383 N ASN A 93 8.539 2.810 0.029 1.00 0.00 N ATOM 1384 CA ASN A 93 9.199 1.532 0.238 1.00 0.00 C ATOM 1385 C ASN A 93 8.177 0.404 0.081 1.00 0.00 C ATOM 1386 O ASN A 93 6.988 0.599 0.332 1.00 0.00 O ATOM 1387 CB ASN A 93 9.790 1.441 1.646 1.00 0.00 C ATOM 1388 CG ASN A 93 8.964 2.257 2.642 1.00 0.00 C ATOM 1389 OD1 ASN A 93 8.991 3.477 2.658 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.230 1.519 3.470 1.00 0.00 N ATOM 0 H ASN A 93 8.881 3.568 0.619 1.00 0.00 H new ATOM 0 HA ASN A 93 10.000 1.442 -0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 93 9.823 0.399 1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.818 1.804 1.637 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.644 1.971 4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.253 0.501 3.403 1.00 0.00 H new ATOM 1397 N THR A 94 8.677 -0.751 -0.333 1.00 0.00 N ATOM 1398 CA THR A 94 7.822 -1.910 -0.526 1.00 0.00 C ATOM 1399 C THR A 94 7.621 -2.651 0.797 1.00 0.00 C ATOM 1400 O THR A 94 8.497 -2.637 1.660 1.00 0.00 O ATOM 1401 CB THR A 94 8.445 -2.779 -1.621 1.00 0.00 C ATOM 1402 OG1 THR A 94 8.952 -1.839 -2.564 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.397 -3.570 -2.408 1.00 0.00 C ATOM 0 H THR A 94 9.663 -0.909 -0.540 1.00 0.00 H new ATOM 0 HA THR A 94 6.824 -1.616 -0.852 1.00 0.00 H new ATOM 0 HB THR A 94 9.160 -3.470 -1.174 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.375 -2.317 -3.307 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.892 -4.170 -3.172 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.851 -4.225 -1.730 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.701 -2.879 -2.884 1.00 0.00 H new ATOM 1411 N ALA A 95 6.461 -3.280 0.915 1.00 0.00 N ATOM 1412 CA ALA A 95 6.133 -4.025 2.119 1.00 0.00 C ATOM 1413 C ALA A 95 5.435 -5.330 1.732 1.00 0.00 C ATOM 1414 O ALA A 95 4.628 -5.355 0.803 1.00 0.00 O ATOM 1415 CB ALA A 95 5.274 -3.156 3.040 1.00 0.00 C ATOM 0 H ALA A 95 5.737 -3.289 0.197 1.00 0.00 H new ATOM 0 HA ALA A 95 7.039 -4.285 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.028 -3.715 3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.826 -2.256 3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.355 -2.877 2.524 1.00 0.00 H new ATOM 1421 N ASN A 96 5.771 -6.383 2.462 1.00 0.00 N ATOM 1422 CA ASN A 96 5.186 -7.689 2.207 1.00 0.00 C ATOM 1423 C ASN A 96 5.025 -8.439 3.530 1.00 0.00 C ATOM 1424 O ASN A 96 5.733 -8.159 4.496 1.00 0.00 O ATOM 1425 CB ASN A 96 6.085 -8.526 1.295 1.00 0.00 C ATOM 1426 CG ASN A 96 7.447 -8.775 1.947 1.00 0.00 C ATOM 1427 OD1 ASN A 96 7.678 -8.460 3.103 1.00 0.00 O ATOM 1428 ND2 ASN A 96 8.333 -9.356 1.143 1.00 0.00 N ATOM 0 H ASN A 96 6.441 -6.359 3.231 1.00 0.00 H new ATOM 0 HA ASN A 96 4.221 -7.537 1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.602 -9.479 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.222 -8.013 0.343 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.272 -9.564 1.484 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.074 -9.594 0.185 1.00 0.00 H new ATOM 1435 N VAL A 97 4.089 -9.377 3.532 1.00 0.00 N ATOM 1436 CA VAL A 97 3.826 -10.169 4.721 1.00 0.00 C ATOM 1437 C VAL A 97 4.014 -11.652 4.393 1.00 0.00 C ATOM 1438 O VAL A 97 3.672 -12.097 3.299 1.00 0.00 O ATOM 1439 CB VAL A 97 2.433 -9.849 5.266 1.00 0.00 C ATOM 1440 CG1 VAL A 97 2.040 -8.404 4.951 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.393 -10.831 4.722 1.00 0.00 C ATOM 0 H VAL A 97 3.503 -9.606 2.729 1.00 0.00 H new ATOM 0 HA VAL A 97 4.534 -9.918 5.511 1.00 0.00 H new ATOM 0 HB VAL A 97 2.463 -9.959 6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.046 -8.202 5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.759 -7.724 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.035 -8.255 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.411 -10.582 5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.366 -10.767 3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.660 -11.845 5.019 1.00 0.00 H new ATOM 1451 N SER A 98 4.557 -12.375 5.361 1.00 0.00 N ATOM 1452 CA SER A 98 4.795 -13.798 5.189 1.00 0.00 C ATOM 1453 C SER A 98 3.704 -14.601 5.900 1.00 0.00 C ATOM 1454 O SER A 98 2.988 -14.068 6.747 1.00 0.00 O ATOM 1455 CB SER A 98 6.175 -14.194 5.717 1.00 0.00 C ATOM 1456 OG SER A 98 6.588 -15.468 5.230 1.00 0.00 O ATOM 0 H SER A 98 4.839 -12.002 6.267 1.00 0.00 H new ATOM 0 HA SER A 98 4.766 -14.023 4.123 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.905 -13.440 5.424 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.155 -14.212 6.807 1.00 0.00 H new ATOM 0 HG SER A 98 7.474 -15.684 5.588 1.00 0.00 H new