USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 741 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 63 THR OG1 : rot 13:sc= -0.0336 USER MOD Set 1.2: A 75 SER OG : rot 16:sc= 1.16 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= -0.0642 (180deg=-0.508) USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= -0.301 (180deg=-1.51!) USER MOD Single : A 29 THR OG1 : rot 83:sc= 0.0835 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.608 USER MOD Single : A 34 MET CE :methyl 169:sc= -0.542 (180deg=-0.763) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -138:sc= -2.05 (180deg=-4.48!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.4!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -0.042 (180deg=-0.33) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -6.03! C(o=-6!,f=-2.2!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -54:sc= 1.26 USER MOD Single : A 77 GLN : amide:sc= -1.78 K(o=-1.8,f=0) USER MOD Single : A 78 THR OG1 : rot 13:sc= -0.55! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -7.61! C(o=-7.6!,f=-6.7!) USER MOD Single : A 86 GLN : amide:sc= -0.0997 K(o=-0.1,f=-1.9!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -80:sc= -0.261 USER MOD ----------------------------------------------------------------- ATOM 86 N VAL A 6 90.209 5.203 -10.514 1.00 0.00 N ATOM 87 CA VAL A 6 89.885 4.510 -9.230 1.00 0.00 C ATOM 88 C VAL A 6 88.798 3.463 -9.478 1.00 0.00 C ATOM 89 O VAL A 6 87.867 3.686 -10.227 1.00 0.00 O ATOM 90 CB VAL A 6 89.380 5.539 -8.218 1.00 0.00 C ATOM 91 CG1 VAL A 6 89.260 4.884 -6.842 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.368 6.704 -8.143 1.00 0.00 C ATOM 0 HA VAL A 6 90.778 4.020 -8.841 1.00 0.00 H new ATOM 0 HB VAL A 6 88.403 5.909 -8.531 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.900 5.617 -6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.558 4.052 -6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 6 90.237 4.515 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 6 90.010 7.439 -7.422 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.344 6.334 -7.829 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.455 7.171 -9.124 1.00 0.00 H new ATOM 102 N SER A 7 88.908 2.317 -8.858 1.00 0.00 N ATOM 103 CA SER A 7 87.883 1.253 -9.061 1.00 0.00 C ATOM 104 C SER A 7 86.736 1.435 -8.066 1.00 0.00 C ATOM 105 O SER A 7 86.852 1.120 -6.900 1.00 0.00 O ATOM 106 CB SER A 7 88.519 -0.114 -8.845 1.00 0.00 C ATOM 107 OG SER A 7 89.767 -0.166 -9.523 1.00 0.00 O ATOM 0 H SER A 7 89.665 2.073 -8.219 1.00 0.00 H new ATOM 0 HA SER A 7 87.495 1.324 -10.077 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.663 -0.296 -7.780 1.00 0.00 H new ATOM 0 HB3 SER A 7 87.858 -0.898 -9.216 1.00 0.00 H new ATOM 0 HG SER A 7 90.179 -1.044 -9.384 1.00 0.00 H new ATOM 113 N PHE A 8 85.629 1.931 -8.532 1.00 0.00 N ATOM 114 CA PHE A 8 84.449 2.139 -7.641 1.00 0.00 C ATOM 115 C PHE A 8 83.633 0.843 -7.572 1.00 0.00 C ATOM 116 O PHE A 8 83.157 0.345 -8.572 1.00 0.00 O ATOM 117 CB PHE A 8 83.585 3.271 -8.216 1.00 0.00 C ATOM 118 CG PHE A 8 83.632 3.233 -9.725 1.00 0.00 C ATOM 119 CD1 PHE A 8 84.705 3.821 -10.406 1.00 0.00 C ATOM 120 CD2 PHE A 8 82.603 2.612 -10.444 1.00 0.00 C ATOM 121 CE1 PHE A 8 84.749 3.788 -11.805 1.00 0.00 C ATOM 122 CE2 PHE A 8 82.647 2.579 -11.843 1.00 0.00 C ATOM 123 CZ PHE A 8 83.721 3.167 -12.523 1.00 0.00 C ATOM 0 H PHE A 8 85.485 2.206 -9.504 1.00 0.00 H new ATOM 0 HA PHE A 8 84.779 2.407 -6.637 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.556 3.166 -7.872 1.00 0.00 H new ATOM 0 HB3 PHE A 8 83.945 4.235 -7.856 1.00 0.00 H new ATOM 0 HD1 PHE A 8 85.499 4.300 -9.852 1.00 0.00 H new ATOM 0 HD2 PHE A 8 81.775 2.158 -9.919 1.00 0.00 H new ATOM 0 HE1 PHE A 8 85.576 4.242 -12.330 1.00 0.00 H new ATOM 0 HE2 PHE A 8 81.853 2.100 -12.397 1.00 0.00 H new ATOM 0 HZ PHE A 8 83.756 3.141 -13.602 1.00 0.00 H new ATOM 133 N PHE A 9 83.462 0.299 -6.392 1.00 0.00 N ATOM 134 CA PHE A 9 82.668 -0.961 -6.240 1.00 0.00 C ATOM 135 C PHE A 9 81.280 -0.598 -5.706 1.00 0.00 C ATOM 136 O PHE A 9 81.151 0.085 -4.710 1.00 0.00 O ATOM 137 CB PHE A 9 83.371 -1.892 -5.237 1.00 0.00 C ATOM 138 CG PHE A 9 84.472 -2.667 -5.929 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.678 -2.033 -6.252 1.00 0.00 C ATOM 140 CD2 PHE A 9 84.289 -4.022 -6.239 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.699 -2.753 -6.885 1.00 0.00 C ATOM 142 CE2 PHE A 9 85.310 -4.741 -6.873 1.00 0.00 C ATOM 143 CZ PHE A 9 86.515 -4.106 -7.195 1.00 0.00 C ATOM 0 H PHE A 9 83.840 0.675 -5.523 1.00 0.00 H new ATOM 0 HA PHE A 9 82.582 -1.467 -7.201 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.788 -1.307 -4.417 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.648 -2.582 -4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.821 -0.989 -6.013 1.00 0.00 H new ATOM 0 HD2 PHE A 9 83.360 -4.512 -5.989 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.629 -2.264 -7.134 1.00 0.00 H new ATOM 0 HE2 PHE A 9 85.168 -5.784 -7.113 1.00 0.00 H new ATOM 0 HZ PHE A 9 87.303 -4.660 -7.683 1.00 0.00 H new ATOM 153 N LEU A 10 80.241 -1.043 -6.357 1.00 0.00 N ATOM 154 CA LEU A 10 78.872 -0.711 -5.872 1.00 0.00 C ATOM 155 C LEU A 10 78.522 -1.600 -4.690 1.00 0.00 C ATOM 156 O LEU A 10 78.195 -2.759 -4.839 1.00 0.00 O ATOM 157 CB LEU A 10 77.842 -0.915 -6.995 1.00 0.00 C ATOM 158 CG LEU A 10 76.390 -0.670 -6.461 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.656 0.334 -7.359 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.592 -1.984 -6.453 1.00 0.00 C ATOM 0 H LEU A 10 80.280 -1.618 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 10 78.851 0.334 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 10 78.053 -0.232 -7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.924 -1.927 -7.392 1.00 0.00 H new ATOM 0 HG LEU A 10 76.468 -0.277 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.648 0.495 -6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.197 1.280 -7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.600 -0.059 -8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.585 -1.796 -6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.535 -2.381 -7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.089 -2.708 -5.808 1.00 0.00 H new ATOM 172 N VAL A 11 78.569 -1.044 -3.513 1.00 0.00 N ATOM 173 CA VAL A 11 78.217 -1.809 -2.287 1.00 0.00 C ATOM 174 C VAL A 11 76.918 -1.218 -1.756 1.00 0.00 C ATOM 175 O VAL A 11 76.613 -0.071 -2.018 1.00 0.00 O ATOM 176 CB VAL A 11 79.333 -1.661 -1.249 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.675 -2.057 -1.880 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.404 -0.207 -0.766 1.00 0.00 C ATOM 0 H VAL A 11 78.841 -0.075 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 11 78.098 -2.871 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 11 79.123 -2.312 -0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.470 -1.952 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.627 -3.093 -2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.882 -1.408 -2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.200 -0.107 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.610 0.448 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.452 0.073 -0.314 1.00 0.00 H new ATOM 188 N LYS A 12 76.139 -1.978 -1.035 1.00 0.00 N ATOM 189 CA LYS A 12 74.842 -1.443 -0.515 1.00 0.00 C ATOM 190 C LYS A 12 74.955 -1.212 0.991 1.00 0.00 C ATOM 191 O LYS A 12 75.490 -2.022 1.722 1.00 0.00 O ATOM 192 CB LYS A 12 73.716 -2.458 -0.831 1.00 0.00 C ATOM 193 CG LYS A 12 72.771 -1.897 -1.905 1.00 0.00 C ATOM 194 CD LYS A 12 71.826 -3.002 -2.376 1.00 0.00 C ATOM 195 CE LYS A 12 70.998 -2.500 -3.559 1.00 0.00 C ATOM 196 NZ LYS A 12 71.886 -2.299 -4.738 1.00 0.00 N ATOM 0 H LYS A 12 76.342 -2.945 -0.782 1.00 0.00 H new ATOM 0 HA LYS A 12 74.606 -0.493 -0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 12 74.151 -3.397 -1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 12 73.154 -2.680 0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 12 72.199 -1.061 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.347 -1.512 -2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.397 -3.883 -2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 12 71.168 -3.304 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.214 -3.219 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.503 -1.564 -3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.321 -2.343 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 72.347 -1.369 -4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.611 -3.045 -4.758 1.00 0.00 H new ATOM 210 N GLU A 13 74.436 -0.106 1.451 1.00 0.00 N ATOM 211 CA GLU A 13 74.478 0.213 2.908 1.00 0.00 C ATOM 212 C GLU A 13 73.089 -0.036 3.481 1.00 0.00 C ATOM 213 O GLU A 13 72.126 -0.103 2.755 1.00 0.00 O ATOM 214 CB GLU A 13 74.855 1.683 3.112 1.00 0.00 C ATOM 215 CG GLU A 13 76.344 1.888 2.824 1.00 0.00 C ATOM 216 CD GLU A 13 76.774 3.268 3.325 1.00 0.00 C ATOM 217 OE1 GLU A 13 76.041 4.215 3.093 1.00 0.00 O ATOM 218 OE2 GLU A 13 77.828 3.353 3.934 1.00 0.00 O ATOM 0 H GLU A 13 73.979 0.599 0.872 1.00 0.00 H new ATOM 0 HA GLU A 13 75.220 -0.410 3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.259 2.314 2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.629 1.986 4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.931 1.112 3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.534 1.802 1.754 1.00 0.00 H new ATOM 225 N LYS A 14 72.983 -0.187 4.772 1.00 0.00 N ATOM 226 CA LYS A 14 71.652 -0.454 5.411 1.00 0.00 C ATOM 227 C LYS A 14 71.273 0.728 6.304 1.00 0.00 C ATOM 228 O LYS A 14 71.851 0.943 7.351 1.00 0.00 O ATOM 229 CB LYS A 14 71.733 -1.756 6.248 1.00 0.00 C ATOM 230 CG LYS A 14 73.201 -2.082 6.565 1.00 0.00 C ATOM 231 CD LYS A 14 73.889 -2.715 5.324 1.00 0.00 C ATOM 232 CE LYS A 14 74.003 -4.235 5.498 1.00 0.00 C ATOM 233 NZ LYS A 14 74.752 -4.536 6.751 1.00 0.00 N ATOM 0 H LYS A 14 73.767 -0.137 5.423 1.00 0.00 H new ATOM 0 HA LYS A 14 70.890 -0.576 4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.169 -1.640 7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.278 -2.581 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 14 73.728 -1.174 6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 14 73.255 -2.769 7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 14 73.316 -2.487 4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 14 74.880 -2.282 5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 14 73.010 -4.683 5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.515 -4.673 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 75.291 -5.417 6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 75.407 -3.756 6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 74.082 -4.645 7.538 1.00 0.00 H new ATOM 351 N LEU A 21 67.996 -1.024 1.850 1.00 0.00 N ATOM 352 CA LEU A 21 69.466 -0.927 1.596 1.00 0.00 C ATOM 353 C LEU A 21 69.745 0.369 0.838 1.00 0.00 C ATOM 354 O LEU A 21 68.866 0.925 0.211 1.00 0.00 O ATOM 355 CB LEU A 21 69.949 -2.114 0.752 1.00 0.00 C ATOM 356 CG LEU A 21 69.358 -3.423 1.290 1.00 0.00 C ATOM 357 CD1 LEU A 21 69.693 -4.565 0.330 1.00 0.00 C ATOM 358 CD2 LEU A 21 69.955 -3.731 2.666 1.00 0.00 C ATOM 0 HA LEU A 21 69.994 -0.938 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.654 -1.974 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 21 71.038 -2.164 0.771 1.00 0.00 H new ATOM 0 HG LEU A 21 68.276 -3.320 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 21 69.273 -5.496 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 21 69.270 -4.351 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 21 70.775 -4.663 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 21 69.533 -4.662 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.037 -3.832 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 21 69.721 -2.919 3.354 1.00 0.00 H new ATOM 370 N VAL A 22 70.959 0.858 0.896 1.00 0.00 N ATOM 371 CA VAL A 22 71.304 2.132 0.180 1.00 0.00 C ATOM 372 C VAL A 22 72.572 1.898 -0.688 1.00 0.00 C ATOM 373 O VAL A 22 73.629 1.664 -0.136 1.00 0.00 O ATOM 374 CB VAL A 22 71.583 3.220 1.249 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.548 4.289 0.714 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.270 3.904 1.656 1.00 0.00 C ATOM 0 H VAL A 22 71.730 0.431 1.409 1.00 0.00 H new ATOM 0 HA VAL A 22 70.487 2.449 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 22 72.037 2.730 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.725 5.038 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.493 3.821 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 22 72.111 4.767 -0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.475 4.667 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 22 69.816 4.369 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.586 3.162 2.069 1.00 0.00 H new ATOM 386 N PRO A 23 72.465 1.985 -2.013 1.00 0.00 N ATOM 387 CA PRO A 23 73.645 1.801 -2.886 1.00 0.00 C ATOM 388 C PRO A 23 74.763 2.787 -2.513 1.00 0.00 C ATOM 389 O PRO A 23 74.518 3.895 -2.077 1.00 0.00 O ATOM 390 CB PRO A 23 73.121 2.079 -4.312 1.00 0.00 C ATOM 391 CG PRO A 23 71.577 2.060 -4.238 1.00 0.00 C ATOM 392 CD PRO A 23 71.201 2.232 -2.752 1.00 0.00 C ATOM 0 HA PRO A 23 74.076 0.804 -2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.478 3.044 -4.673 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.483 1.324 -5.010 1.00 0.00 H new ATOM 0 HG2 PRO A 23 71.151 2.863 -4.840 1.00 0.00 H new ATOM 0 HG3 PRO A 23 71.182 1.123 -4.631 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.815 3.232 -2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.425 1.527 -2.456 1.00 0.00 H new ATOM 400 N ARG A 24 75.987 2.376 -2.692 1.00 0.00 N ATOM 401 CA ARG A 24 77.147 3.256 -2.367 1.00 0.00 C ATOM 402 C ARG A 24 78.325 2.835 -3.250 1.00 0.00 C ATOM 403 O ARG A 24 78.540 1.663 -3.483 1.00 0.00 O ATOM 404 CB ARG A 24 77.517 3.081 -0.887 1.00 0.00 C ATOM 405 CG ARG A 24 78.611 4.092 -0.478 1.00 0.00 C ATOM 406 CD ARG A 24 77.973 5.419 -0.040 1.00 0.00 C ATOM 407 NE ARG A 24 77.626 5.350 1.407 1.00 0.00 N ATOM 408 CZ ARG A 24 77.374 6.446 2.069 1.00 0.00 C ATOM 409 NH1 ARG A 24 77.412 7.600 1.460 1.00 0.00 N ATOM 410 NH2 ARG A 24 77.082 6.390 3.340 1.00 0.00 N ATOM 0 H ARG A 24 76.237 1.456 -3.054 1.00 0.00 H new ATOM 0 HA ARG A 24 76.898 4.302 -2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.632 3.223 -0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.870 2.065 -0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.209 3.682 0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 24 79.288 4.265 -1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.663 6.243 -0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 24 77.078 5.617 -0.630 1.00 0.00 H new ATOM 0 HE ARG A 24 77.585 4.447 1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.639 7.645 0.467 1.00 0.00 H new ATOM 0 HH12 ARG A 24 77.215 8.457 1.978 1.00 0.00 H new ATOM 0 HH21 ARG A 24 77.051 5.489 3.817 1.00 0.00 H new ATOM 0 HH22 ARG A 24 76.885 7.247 3.856 1.00 0.00 H new ATOM 424 N LEU A 25 79.095 3.772 -3.736 1.00 0.00 N ATOM 425 CA LEU A 25 80.265 3.418 -4.594 1.00 0.00 C ATOM 426 C LEU A 25 81.520 3.468 -3.718 1.00 0.00 C ATOM 427 O LEU A 25 81.646 4.317 -2.858 1.00 0.00 O ATOM 428 CB LEU A 25 80.365 4.428 -5.738 1.00 0.00 C ATOM 429 CG LEU A 25 79.151 4.293 -6.671 1.00 0.00 C ATOM 430 CD1 LEU A 25 79.099 5.502 -7.612 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.242 3.000 -7.500 1.00 0.00 C ATOM 0 H LEU A 25 78.964 4.771 -3.576 1.00 0.00 H new ATOM 0 HA LEU A 25 80.156 2.421 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.414 5.440 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.285 4.263 -6.299 1.00 0.00 H new ATOM 0 HG LEU A 25 78.246 4.253 -6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.239 5.410 -8.276 1.00 0.00 H new ATOM 0 HD12 LEU A 25 79.008 6.416 -7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 25 80.013 5.541 -8.205 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.373 2.925 -8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.149 3.018 -8.104 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.269 2.140 -6.831 1.00 0.00 H new ATOM 443 N LEU A 26 82.434 2.544 -3.904 1.00 0.00 N ATOM 444 CA LEU A 26 83.671 2.507 -3.054 1.00 0.00 C ATOM 445 C LEU A 26 84.924 2.459 -3.938 1.00 0.00 C ATOM 446 O LEU A 26 85.227 1.461 -4.562 1.00 0.00 O ATOM 447 CB LEU A 26 83.611 1.251 -2.176 1.00 0.00 C ATOM 448 CG LEU A 26 84.720 1.279 -1.111 1.00 0.00 C ATOM 449 CD1 LEU A 26 84.396 2.307 -0.011 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.840 -0.114 -0.482 1.00 0.00 C ATOM 0 H LEU A 26 82.377 1.811 -4.611 1.00 0.00 H new ATOM 0 HA LEU A 26 83.721 3.403 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.637 1.186 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.719 0.362 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 26 85.659 1.564 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.194 2.309 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 26 84.310 3.299 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 26 83.454 2.041 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.624 -0.105 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.892 -0.387 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 26 85.090 -0.842 -1.254 1.00 0.00 H new ATOM 462 N GLY A 27 85.651 3.541 -3.976 1.00 0.00 N ATOM 463 CA GLY A 27 86.895 3.613 -4.796 1.00 0.00 C ATOM 464 C GLY A 27 88.058 2.946 -4.065 1.00 0.00 C ATOM 465 O GLY A 27 88.386 3.299 -2.952 1.00 0.00 O ATOM 0 H GLY A 27 85.432 4.395 -3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.733 3.124 -5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 27 87.139 4.654 -5.006 1.00 0.00 H new ATOM 469 N ILE A 28 88.696 1.991 -4.695 1.00 0.00 N ATOM 470 CA ILE A 28 89.860 1.301 -4.054 1.00 0.00 C ATOM 471 C ILE A 28 91.149 1.825 -4.685 1.00 0.00 C ATOM 472 O ILE A 28 91.431 1.562 -5.837 1.00 0.00 O ATOM 473 CB ILE A 28 89.769 -0.215 -4.296 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.360 -0.720 -3.962 1.00 0.00 C ATOM 475 CG2 ILE A 28 90.791 -0.941 -3.418 1.00 0.00 C ATOM 476 CD1 ILE A 28 87.928 -0.216 -2.586 1.00 0.00 C ATOM 0 H ILE A 28 88.460 1.658 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 28 89.852 1.496 -2.982 1.00 0.00 H new ATOM 0 HB ILE A 28 89.981 -0.417 -5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 28 87.655 -0.378 -4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.343 -1.810 -3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 28 90.723 -2.015 -3.593 1.00 0.00 H new ATOM 0 HG22 ILE A 28 91.795 -0.596 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 28 90.584 -0.730 -2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 28 86.926 -0.582 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 28 88.624 -0.580 -1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 28 87.925 0.874 -2.582 1.00 0.00 H new ATOM 488 N THR A 29 91.937 2.559 -3.938 1.00 0.00 N ATOM 489 CA THR A 29 93.219 3.103 -4.484 1.00 0.00 C ATOM 490 C THR A 29 94.383 2.392 -3.791 1.00 0.00 C ATOM 491 O THR A 29 94.214 1.761 -2.768 1.00 0.00 O ATOM 492 CB THR A 29 93.287 4.618 -4.212 1.00 0.00 C ATOM 493 OG1 THR A 29 91.977 5.163 -4.279 1.00 0.00 O ATOM 494 CG2 THR A 29 94.174 5.299 -5.258 1.00 0.00 C ATOM 0 H THR A 29 91.746 2.806 -2.967 1.00 0.00 H new ATOM 0 HA THR A 29 93.275 2.935 -5.560 1.00 0.00 H new ATOM 0 HB THR A 29 93.710 4.787 -3.222 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.522 5.027 -3.422 1.00 0.00 H new ATOM 0 HG21 THR A 29 94.216 6.370 -5.058 1.00 0.00 H new ATOM 0 HG22 THR A 29 95.180 4.881 -5.210 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.759 5.132 -6.252 1.00 0.00 H new ATOM 502 N LYS A 30 95.558 2.487 -4.340 1.00 0.00 N ATOM 503 CA LYS A 30 96.725 1.813 -3.711 1.00 0.00 C ATOM 504 C LYS A 30 97.137 2.573 -2.453 1.00 0.00 C ATOM 505 O LYS A 30 97.760 2.030 -1.562 1.00 0.00 O ATOM 506 CB LYS A 30 97.890 1.796 -4.700 1.00 0.00 C ATOM 507 CG LYS A 30 98.188 3.230 -5.141 1.00 0.00 C ATOM 508 CD LYS A 30 99.317 3.241 -6.180 1.00 0.00 C ATOM 509 CE LYS A 30 98.785 2.812 -7.554 1.00 0.00 C ATOM 510 NZ LYS A 30 99.773 3.191 -8.604 1.00 0.00 N ATOM 0 H LYS A 30 95.762 3.002 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 30 96.456 0.791 -3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.772 1.354 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.642 1.180 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 30 97.291 3.682 -5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 30 98.472 3.832 -4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.749 4.240 -6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 30 100.115 2.568 -5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 30 98.614 1.736 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.826 3.290 -7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 99.416 2.902 -9.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 99.915 4.221 -8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.678 2.715 -8.417 1.00 0.00 H new ATOM 524 N GLU A 31 96.804 3.834 -2.379 1.00 0.00 N ATOM 525 CA GLU A 31 97.183 4.650 -1.186 1.00 0.00 C ATOM 526 C GLU A 31 96.003 4.767 -0.218 1.00 0.00 C ATOM 527 O GLU A 31 96.179 5.113 0.934 1.00 0.00 O ATOM 528 CB GLU A 31 97.591 6.059 -1.639 1.00 0.00 C ATOM 529 CG GLU A 31 98.886 6.012 -2.478 1.00 0.00 C ATOM 530 CD GLU A 31 99.732 7.266 -2.224 1.00 0.00 C ATOM 531 OE1 GLU A 31 100.048 7.520 -1.073 1.00 0.00 O ATOM 532 OE2 GLU A 31 100.048 7.948 -3.185 1.00 0.00 O ATOM 0 H GLU A 31 96.283 4.338 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 31 98.015 4.159 -0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 31 96.788 6.504 -2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 31 97.740 6.697 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.460 5.121 -2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 31 98.639 5.941 -3.537 1.00 0.00 H new ATOM 539 N CYS A 32 94.799 4.505 -0.657 1.00 0.00 N ATOM 540 CA CYS A 32 93.648 4.640 0.283 1.00 0.00 C ATOM 541 C CYS A 32 92.348 4.146 -0.365 1.00 0.00 C ATOM 542 O CYS A 32 92.247 4.002 -1.566 1.00 0.00 O ATOM 543 CB CYS A 32 93.495 6.128 0.656 1.00 0.00 C ATOM 544 SG CYS A 32 94.057 7.154 -0.726 1.00 0.00 S ATOM 0 H CYS A 32 94.566 4.210 -1.605 1.00 0.00 H new ATOM 0 HA CYS A 32 93.840 4.035 1.169 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.454 6.351 0.889 1.00 0.00 H new ATOM 0 HB3 CYS A 32 94.077 6.352 1.550 1.00 0.00 H new ATOM 0 HG CYS A 32 93.927 8.410 -0.415 1.00 0.00 H new ATOM 550 N VAL A 33 91.337 3.935 0.440 1.00 0.00 N ATOM 551 CA VAL A 33 90.010 3.505 -0.093 1.00 0.00 C ATOM 552 C VAL A 33 89.143 4.757 -0.160 1.00 0.00 C ATOM 553 O VAL A 33 89.128 5.532 0.771 1.00 0.00 O ATOM 554 CB VAL A 33 89.374 2.491 0.862 1.00 0.00 C ATOM 555 CG1 VAL A 33 87.960 2.155 0.388 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.220 1.218 0.893 1.00 0.00 C ATOM 0 H VAL A 33 91.376 4.044 1.453 1.00 0.00 H new ATOM 0 HA VAL A 33 90.110 3.037 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 33 89.326 2.919 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 33 87.510 1.433 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.357 3.063 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 33 88.004 1.729 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 33 89.767 0.497 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.271 0.791 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.226 1.458 1.237 1.00 0.00 H new ATOM 566 N MET A 34 88.444 4.992 -1.245 1.00 0.00 N ATOM 567 CA MET A 34 87.614 6.237 -1.340 1.00 0.00 C ATOM 568 C MET A 34 86.141 5.929 -1.102 1.00 0.00 C ATOM 569 O MET A 34 85.593 4.997 -1.654 1.00 0.00 O ATOM 570 CB MET A 34 87.781 6.858 -2.735 1.00 0.00 C ATOM 571 CG MET A 34 89.209 6.626 -3.235 1.00 0.00 C ATOM 572 SD MET A 34 89.555 7.753 -4.610 1.00 0.00 S ATOM 573 CE MET A 34 90.147 9.148 -3.621 1.00 0.00 C ATOM 0 H MET A 34 88.411 4.383 -2.062 1.00 0.00 H new ATOM 0 HA MET A 34 87.952 6.935 -0.575 1.00 0.00 H new ATOM 0 HB2 MET A 34 87.066 6.415 -3.429 1.00 0.00 H new ATOM 0 HB3 MET A 34 87.568 7.926 -2.696 1.00 0.00 H new ATOM 0 HG2 MET A 34 89.921 6.792 -2.426 1.00 0.00 H new ATOM 0 HG3 MET A 34 89.329 5.592 -3.559 1.00 0.00 H new ATOM 0 HE1 MET A 34 90.601 9.892 -4.276 1.00 0.00 H new ATOM 0 HE2 MET A 34 89.309 9.597 -3.087 1.00 0.00 H new ATOM 0 HE3 MET A 34 90.888 8.796 -2.903 1.00 0.00 H new ATOM 583 N ARG A 35 85.482 6.738 -0.312 1.00 0.00 N ATOM 584 CA ARG A 35 84.027 6.518 -0.075 1.00 0.00 C ATOM 585 C ARG A 35 83.286 7.385 -1.078 1.00 0.00 C ATOM 586 O ARG A 35 83.403 8.595 -1.062 1.00 0.00 O ATOM 587 CB ARG A 35 83.641 6.957 1.342 1.00 0.00 C ATOM 588 CG ARG A 35 84.188 5.962 2.391 1.00 0.00 C ATOM 589 CD ARG A 35 83.281 5.948 3.638 1.00 0.00 C ATOM 590 NE ARG A 35 82.597 7.266 3.779 1.00 0.00 N ATOM 591 CZ ARG A 35 81.576 7.388 4.582 1.00 0.00 C ATOM 592 NH1 ARG A 35 81.153 6.360 5.265 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.974 8.540 4.699 1.00 0.00 N ATOM 0 H ARG A 35 85.888 7.537 0.176 1.00 0.00 H new ATOM 0 HA ARG A 35 83.779 5.462 -0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 35 84.035 7.954 1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.556 7.021 1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 35 84.242 4.962 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 35 85.203 6.242 2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 35 82.542 5.151 3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.874 5.738 4.528 1.00 0.00 H new ATOM 0 HE ARG A 35 82.927 8.072 3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 35 81.621 5.458 5.172 1.00 0.00 H new ATOM 0 HH12 ARG A 35 80.355 6.458 5.892 1.00 0.00 H new ATOM 0 HH21 ARG A 35 81.302 9.344 4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 35 80.176 8.637 5.326 1.00 0.00 H new ATOM 607 N VAL A 36 82.551 6.780 -1.977 1.00 0.00 N ATOM 608 CA VAL A 36 81.828 7.568 -3.016 1.00 0.00 C ATOM 609 C VAL A 36 80.344 7.220 -2.992 1.00 0.00 C ATOM 610 O VAL A 36 79.960 6.070 -3.076 1.00 0.00 O ATOM 611 CB VAL A 36 82.425 7.231 -4.385 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.697 8.013 -5.484 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.910 7.607 -4.399 1.00 0.00 C ATOM 0 H VAL A 36 82.421 5.770 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 36 81.936 8.634 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 36 82.311 6.163 -4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 36 82.129 7.766 -6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.640 7.748 -5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 36 81.803 9.082 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.337 7.368 -5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 36 84.017 8.675 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.435 7.046 -3.625 1.00 0.00 H new ATOM 623 N ASP A 37 79.507 8.213 -2.884 1.00 0.00 N ATOM 624 CA ASP A 37 78.047 7.955 -2.862 1.00 0.00 C ATOM 625 C ASP A 37 77.603 7.504 -4.245 1.00 0.00 C ATOM 626 O ASP A 37 78.138 7.923 -5.247 1.00 0.00 O ATOM 627 CB ASP A 37 77.302 9.236 -2.479 1.00 0.00 C ATOM 628 CG ASP A 37 75.859 8.896 -2.099 1.00 0.00 C ATOM 629 OD1 ASP A 37 75.311 7.981 -2.690 1.00 0.00 O ATOM 630 OD2 ASP A 37 75.327 9.558 -1.222 1.00 0.00 O ATOM 0 H ASP A 37 79.775 9.194 -2.810 1.00 0.00 H new ATOM 0 HA ASP A 37 77.823 7.179 -2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.803 9.724 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 37 77.313 9.938 -3.312 1.00 0.00 H new ATOM 635 N GLU A 38 76.618 6.663 -4.306 1.00 0.00 N ATOM 636 CA GLU A 38 76.115 6.189 -5.619 1.00 0.00 C ATOM 637 C GLU A 38 75.035 7.159 -6.052 1.00 0.00 C ATOM 638 O GLU A 38 74.710 7.307 -7.213 1.00 0.00 O ATOM 639 CB GLU A 38 75.530 4.796 -5.423 1.00 0.00 C ATOM 640 CG GLU A 38 75.364 4.083 -6.762 1.00 0.00 C ATOM 641 CD GLU A 38 74.222 4.727 -7.550 1.00 0.00 C ATOM 642 OE1 GLU A 38 73.180 4.960 -6.961 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.410 4.976 -8.730 1.00 0.00 O ATOM 0 H GLU A 38 76.134 6.279 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 38 76.901 6.142 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 38 76.181 4.212 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.564 4.870 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 38 76.291 4.141 -7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 38 75.155 3.026 -6.599 1.00 0.00 H new ATOM 650 N LYS A 39 74.494 7.823 -5.085 1.00 0.00 N ATOM 651 CA LYS A 39 73.432 8.817 -5.327 1.00 0.00 C ATOM 652 C LYS A 39 74.063 10.101 -5.854 1.00 0.00 C ATOM 653 O LYS A 39 73.631 10.665 -6.840 1.00 0.00 O ATOM 654 CB LYS A 39 72.750 9.097 -3.995 1.00 0.00 C ATOM 655 CG LYS A 39 71.550 10.022 -4.204 1.00 0.00 C ATOM 656 CD LYS A 39 70.992 10.442 -2.842 1.00 0.00 C ATOM 657 CE LYS A 39 69.824 11.412 -3.041 1.00 0.00 C ATOM 658 NZ LYS A 39 69.557 12.136 -1.766 1.00 0.00 N ATOM 0 H LYS A 39 74.753 7.714 -4.105 1.00 0.00 H new ATOM 0 HA LYS A 39 72.711 8.447 -6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.423 8.161 -3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.457 9.556 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.849 10.901 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 39 70.780 9.513 -4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.658 9.564 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 39 71.774 10.916 -2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 39 70.059 12.123 -3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 39 68.934 10.867 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.764 12.795 -1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.316 11.451 -1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 70.405 12.668 -1.485 1.00 0.00 H new ATOM 672 N THR A 40 75.080 10.571 -5.187 1.00 0.00 N ATOM 673 CA THR A 40 75.755 11.829 -5.618 1.00 0.00 C ATOM 674 C THR A 40 76.992 11.501 -6.462 1.00 0.00 C ATOM 675 O THR A 40 77.609 12.383 -7.026 1.00 0.00 O ATOM 676 CB THR A 40 76.177 12.624 -4.373 1.00 0.00 C ATOM 677 OG1 THR A 40 75.171 12.506 -3.377 1.00 0.00 O ATOM 678 CG2 THR A 40 76.361 14.098 -4.738 1.00 0.00 C ATOM 0 H THR A 40 75.476 10.134 -4.355 1.00 0.00 H new ATOM 0 HA THR A 40 75.065 12.421 -6.220 1.00 0.00 H new ATOM 0 HB THR A 40 77.119 12.228 -3.993 1.00 0.00 H new ATOM 0 HG1 THR A 40 75.438 13.011 -2.581 1.00 0.00 H new ATOM 0 HG21 THR A 40 76.660 14.658 -3.852 1.00 0.00 H new ATOM 0 HG22 THR A 40 77.132 14.190 -5.503 1.00 0.00 H new ATOM 0 HG23 THR A 40 75.422 14.498 -5.120 1.00 0.00 H new ATOM 686 N LYS A 41 77.370 10.250 -6.558 1.00 0.00 N ATOM 687 CA LYS A 41 78.573 9.915 -7.375 1.00 0.00 C ATOM 688 C LYS A 41 79.733 10.827 -6.965 1.00 0.00 C ATOM 689 O LYS A 41 80.661 11.043 -7.719 1.00 0.00 O ATOM 690 CB LYS A 41 78.249 10.128 -8.856 1.00 0.00 C ATOM 691 CG LYS A 41 77.255 9.056 -9.327 1.00 0.00 C ATOM 692 CD LYS A 41 76.513 9.549 -10.575 1.00 0.00 C ATOM 693 CE LYS A 41 77.516 10.011 -11.640 1.00 0.00 C ATOM 694 NZ LYS A 41 77.915 11.421 -11.369 1.00 0.00 N ATOM 0 H LYS A 41 76.905 9.459 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 41 78.855 8.875 -7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 41 77.826 11.121 -9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.162 10.077 -9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 41 77.784 8.129 -9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 41 76.542 8.834 -8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 41 75.889 8.750 -10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 41 75.848 10.371 -10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 41 78.394 9.365 -11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 41 77.071 9.932 -12.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 77.949 11.950 -12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 77.221 11.862 -10.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 78.854 11.436 -10.922 1.00 0.00 H new ATOM 708 N GLU A 42 79.680 11.369 -5.769 1.00 0.00 N ATOM 709 CA GLU A 42 80.770 12.281 -5.286 1.00 0.00 C ATOM 710 C GLU A 42 81.584 11.563 -4.201 1.00 0.00 C ATOM 711 O GLU A 42 81.133 10.606 -3.613 1.00 0.00 O ATOM 712 CB GLU A 42 80.126 13.561 -4.705 1.00 0.00 C ATOM 713 CG GLU A 42 80.740 14.813 -5.339 1.00 0.00 C ATOM 714 CD GLU A 42 80.381 14.867 -6.825 1.00 0.00 C ATOM 715 OE1 GLU A 42 79.726 13.949 -7.289 1.00 0.00 O ATOM 716 OE2 GLU A 42 80.768 15.825 -7.473 1.00 0.00 O ATOM 0 H GLU A 42 78.923 11.218 -5.102 1.00 0.00 H new ATOM 0 HA GLU A 42 81.432 12.549 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 42 79.051 13.547 -4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 42 80.269 13.587 -3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 42 80.372 15.706 -4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.823 14.801 -5.217 1.00 0.00 H new ATOM 723 N VAL A 43 82.770 12.037 -3.924 1.00 0.00 N ATOM 724 CA VAL A 43 83.613 11.398 -2.868 1.00 0.00 C ATOM 725 C VAL A 43 83.133 11.870 -1.496 1.00 0.00 C ATOM 726 O VAL A 43 83.071 13.053 -1.224 1.00 0.00 O ATOM 727 CB VAL A 43 85.082 11.795 -3.073 1.00 0.00 C ATOM 728 CG1 VAL A 43 85.911 11.404 -1.843 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.639 11.074 -4.304 1.00 0.00 C ATOM 0 H VAL A 43 83.194 12.842 -4.385 1.00 0.00 H new ATOM 0 HA VAL A 43 83.527 10.313 -2.931 1.00 0.00 H new ATOM 0 HB VAL A 43 85.140 12.874 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 43 86.951 11.690 -1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.522 11.917 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.850 10.326 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.682 11.356 -4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.572 9.996 -4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 43 85.061 11.356 -5.184 1.00 0.00 H new ATOM 739 N ILE A 44 82.789 10.953 -0.629 1.00 0.00 N ATOM 740 CA ILE A 44 82.308 11.340 0.728 1.00 0.00 C ATOM 741 C ILE A 44 83.453 11.236 1.735 1.00 0.00 C ATOM 742 O ILE A 44 83.508 11.976 2.696 1.00 0.00 O ATOM 743 CB ILE A 44 81.172 10.408 1.146 1.00 0.00 C ATOM 744 CG1 ILE A 44 80.118 10.340 0.029 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.529 10.939 2.427 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.691 11.751 -0.390 1.00 0.00 C ATOM 0 H ILE A 44 82.821 9.949 -0.805 1.00 0.00 H new ATOM 0 HA ILE A 44 81.948 12.369 0.704 1.00 0.00 H new ATOM 0 HB ILE A 44 81.569 9.408 1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.524 9.806 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 44 79.250 9.778 0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.718 10.276 2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 44 81.277 10.981 3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 44 80.133 11.939 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 44 78.945 11.685 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 44 79.266 12.272 0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.559 12.301 -0.755 1.00 0.00 H new ATOM 758 N GLN A 45 84.368 10.328 1.532 1.00 0.00 N ATOM 759 CA GLN A 45 85.496 10.201 2.499 1.00 0.00 C ATOM 760 C GLN A 45 86.560 9.250 1.952 1.00 0.00 C ATOM 761 O GLN A 45 86.336 8.512 1.019 1.00 0.00 O ATOM 762 CB GLN A 45 84.973 9.665 3.835 1.00 0.00 C ATOM 763 CG GLN A 45 86.134 9.523 4.827 1.00 0.00 C ATOM 764 CD GLN A 45 85.586 9.444 6.253 1.00 0.00 C ATOM 765 OE1 GLN A 45 84.498 8.949 6.473 1.00 0.00 O ATOM 766 NE2 GLN A 45 86.299 9.917 7.237 1.00 0.00 N ATOM 0 H GLN A 45 84.385 9.675 0.748 1.00 0.00 H new ATOM 0 HA GLN A 45 85.941 11.185 2.648 1.00 0.00 H new ATOM 0 HB2 GLN A 45 84.218 10.340 4.238 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.490 8.700 3.686 1.00 0.00 H new ATOM 0 HG2 GLN A 45 86.712 8.628 4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.811 10.372 4.734 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.212 10.332 7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.944 9.872 8.192 1.00 0.00 H new ATOM 775 N GLU A 46 87.721 9.274 2.544 1.00 0.00 N ATOM 776 CA GLU A 46 88.843 8.391 2.108 1.00 0.00 C ATOM 777 C GLU A 46 89.467 7.722 3.340 1.00 0.00 C ATOM 778 O GLU A 46 89.301 8.175 4.455 1.00 0.00 O ATOM 779 CB GLU A 46 89.902 9.233 1.376 1.00 0.00 C ATOM 780 CG GLU A 46 89.509 9.401 -0.095 1.00 0.00 C ATOM 781 CD GLU A 46 90.339 10.522 -0.722 1.00 0.00 C ATOM 782 OE1 GLU A 46 91.525 10.314 -0.921 1.00 0.00 O ATOM 783 OE2 GLU A 46 89.775 11.570 -0.993 1.00 0.00 O ATOM 0 H GLU A 46 87.946 9.883 3.331 1.00 0.00 H new ATOM 0 HA GLU A 46 88.468 7.623 1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.994 10.210 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 46 90.877 8.750 1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.673 8.468 -0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.447 9.633 -0.174 1.00 0.00 H new ATOM 790 N TRP A 47 90.180 6.638 3.142 1.00 0.00 N ATOM 791 CA TRP A 47 90.815 5.921 4.292 1.00 0.00 C ATOM 792 C TRP A 47 92.217 5.457 3.899 1.00 0.00 C ATOM 793 O TRP A 47 92.450 5.045 2.785 1.00 0.00 O ATOM 794 CB TRP A 47 89.976 4.699 4.652 1.00 0.00 C ATOM 795 CG TRP A 47 88.601 5.132 5.052 1.00 0.00 C ATOM 796 CD1 TRP A 47 87.633 5.530 4.195 1.00 0.00 C ATOM 797 CD2 TRP A 47 88.025 5.220 6.388 1.00 0.00 C ATOM 798 NE1 TRP A 47 86.500 5.853 4.919 1.00 0.00 N ATOM 799 CE2 TRP A 47 86.692 5.679 6.272 1.00 0.00 C ATOM 800 CE3 TRP A 47 88.522 4.948 7.676 1.00 0.00 C ATOM 801 CZ2 TRP A 47 85.881 5.862 7.389 1.00 0.00 C ATOM 802 CZ3 TRP A 47 87.707 5.133 8.806 1.00 0.00 C ATOM 803 CH2 TRP A 47 86.388 5.589 8.662 1.00 0.00 C ATOM 0 H TRP A 47 90.350 6.218 2.228 1.00 0.00 H new ATOM 0 HA TRP A 47 90.876 6.597 5.145 1.00 0.00 H new ATOM 0 HB2 TRP A 47 89.921 4.020 3.801 1.00 0.00 H new ATOM 0 HB3 TRP A 47 90.447 4.150 5.468 1.00 0.00 H new ATOM 0 HD1 TRP A 47 87.729 5.586 3.121 1.00 0.00 H new ATOM 0 HE1 TRP A 47 85.628 6.180 4.502 1.00 0.00 H new ATOM 0 HE3 TRP A 47 89.536 4.595 7.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 84.866 6.213 7.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 88.098 4.923 9.791 1.00 0.00 H new ATOM 0 HH2 TRP A 47 85.766 5.729 9.534 1.00 0.00 H new ATOM 814 N SER A 48 93.148 5.500 4.808 1.00 0.00 N ATOM 815 CA SER A 48 94.528 5.046 4.477 1.00 0.00 C ATOM 816 C SER A 48 94.562 3.515 4.447 1.00 0.00 C ATOM 817 O SER A 48 94.080 2.855 5.346 1.00 0.00 O ATOM 818 CB SER A 48 95.506 5.578 5.525 1.00 0.00 C ATOM 819 OG SER A 48 95.860 6.915 5.197 1.00 0.00 O ATOM 0 H SER A 48 93.015 5.829 5.764 1.00 0.00 H new ATOM 0 HA SER A 48 94.819 5.428 3.499 1.00 0.00 H new ATOM 0 HB2 SER A 48 95.052 5.542 6.515 1.00 0.00 H new ATOM 0 HB3 SER A 48 96.397 4.951 5.560 1.00 0.00 H new ATOM 0 HG SER A 48 96.486 7.261 5.867 1.00 0.00 H new ATOM 825 N LEU A 49 95.125 2.944 3.415 1.00 0.00 N ATOM 826 CA LEU A 49 95.186 1.460 3.324 1.00 0.00 C ATOM 827 C LEU A 49 95.970 0.921 4.527 1.00 0.00 C ATOM 828 O LEU A 49 95.678 -0.136 5.050 1.00 0.00 O ATOM 829 CB LEU A 49 95.887 1.067 1.998 1.00 0.00 C ATOM 830 CG LEU A 49 94.875 0.470 1.004 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.453 0.523 -0.413 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.584 -0.989 1.377 1.00 0.00 C ATOM 0 H LEU A 49 95.545 3.444 2.631 1.00 0.00 H new ATOM 0 HA LEU A 49 94.183 1.033 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.362 1.944 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.677 0.343 2.199 1.00 0.00 H new ATOM 0 HG LEU A 49 93.951 1.048 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.735 0.100 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.658 1.559 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.378 -0.052 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 49 93.867 -1.409 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.509 -1.565 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.169 -1.031 2.384 1.00 0.00 H new ATOM 844 N THR A 50 96.964 1.641 4.965 1.00 0.00 N ATOM 845 CA THR A 50 97.765 1.175 6.127 1.00 0.00 C ATOM 846 C THR A 50 96.908 1.241 7.392 1.00 0.00 C ATOM 847 O THR A 50 97.329 0.850 8.462 1.00 0.00 O ATOM 848 CB THR A 50 98.992 2.075 6.296 1.00 0.00 C ATOM 849 OG1 THR A 50 98.568 3.405 6.560 1.00 0.00 O ATOM 850 CG2 THR A 50 99.826 2.050 5.015 1.00 0.00 C ATOM 0 H THR A 50 97.256 2.534 4.567 1.00 0.00 H new ATOM 0 HA THR A 50 98.089 0.148 5.958 1.00 0.00 H new ATOM 0 HB THR A 50 99.597 1.713 7.128 1.00 0.00 H new ATOM 0 HG1 THR A 50 99.352 3.983 6.670 1.00 0.00 H new ATOM 0 HG21 THR A 50 100.699 2.691 5.137 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.151 1.029 4.812 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.224 2.412 4.182 1.00 0.00 H new ATOM 858 N ASN A 51 95.706 1.740 7.275 1.00 0.00 N ATOM 859 CA ASN A 51 94.813 1.844 8.469 1.00 0.00 C ATOM 860 C ASN A 51 94.008 0.553 8.631 1.00 0.00 C ATOM 861 O ASN A 51 93.717 0.126 9.731 1.00 0.00 O ATOM 862 CB ASN A 51 93.848 3.016 8.280 1.00 0.00 C ATOM 863 CG ASN A 51 93.135 3.311 9.601 1.00 0.00 C ATOM 864 OD1 ASN A 51 93.069 2.466 10.471 1.00 0.00 O ATOM 865 ND2 ASN A 51 92.594 4.483 9.787 1.00 0.00 N ATOM 0 H ASN A 51 95.302 2.081 6.403 1.00 0.00 H new ATOM 0 HA ASN A 51 95.422 2.004 9.358 1.00 0.00 H new ATOM 0 HB2 ASN A 51 94.393 3.898 7.944 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.118 2.778 7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 51 92.115 4.690 10.663 1.00 0.00 H new ATOM 0 HD22 ASN A 51 92.650 5.192 9.056 1.00 0.00 H new ATOM 872 N ILE A 52 93.637 -0.068 7.546 1.00 0.00 N ATOM 873 CA ILE A 52 92.842 -1.324 7.643 1.00 0.00 C ATOM 874 C ILE A 52 93.609 -2.365 8.464 1.00 0.00 C ATOM 875 O ILE A 52 94.675 -2.809 8.085 1.00 0.00 O ATOM 876 CB ILE A 52 92.578 -1.868 6.236 1.00 0.00 C ATOM 877 CG1 ILE A 52 91.808 -0.816 5.427 1.00 0.00 C ATOM 878 CG2 ILE A 52 91.750 -3.156 6.330 1.00 0.00 C ATOM 879 CD1 ILE A 52 91.640 -1.287 3.979 1.00 0.00 C ATOM 0 H ILE A 52 93.850 0.240 6.597 1.00 0.00 H new ATOM 0 HA ILE A 52 91.893 -1.113 8.136 1.00 0.00 H new ATOM 0 HB ILE A 52 93.525 -2.087 5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 52 90.831 -0.643 5.877 1.00 0.00 H new ATOM 0 HG13 ILE A 52 92.342 0.134 5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.563 -3.542 5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.298 -3.899 6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 52 90.800 -2.943 6.820 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.092 -0.534 3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 52 92.621 -1.437 3.529 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.087 -2.226 3.964 1.00 0.00 H new ATOM 891 N LYS A 53 93.066 -2.764 9.584 1.00 0.00 N ATOM 892 CA LYS A 53 93.748 -3.783 10.432 1.00 0.00 C ATOM 893 C LYS A 53 93.415 -5.177 9.897 1.00 0.00 C ATOM 894 O LYS A 53 94.287 -5.986 9.651 1.00 0.00 O ATOM 895 CB LYS A 53 93.249 -3.657 11.875 1.00 0.00 C ATOM 896 CG LYS A 53 94.113 -4.522 12.800 1.00 0.00 C ATOM 897 CD LYS A 53 93.377 -4.752 14.126 1.00 0.00 C ATOM 898 CE LYS A 53 94.198 -5.684 15.024 1.00 0.00 C ATOM 899 NZ LYS A 53 95.252 -4.897 15.726 1.00 0.00 N ATOM 0 H LYS A 53 92.175 -2.426 9.949 1.00 0.00 H new ATOM 0 HA LYS A 53 94.826 -3.626 10.407 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.289 -2.615 12.194 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.207 -3.970 11.938 1.00 0.00 H new ATOM 0 HG2 LYS A 53 94.330 -5.478 12.323 1.00 0.00 H new ATOM 0 HG3 LYS A 53 95.069 -4.033 12.984 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.212 -3.800 14.630 1.00 0.00 H new ATOM 0 HD3 LYS A 53 92.396 -5.187 13.936 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.548 -6.171 15.751 1.00 0.00 H new ATOM 0 HE3 LYS A 53 94.655 -6.472 14.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.809 -5.529 16.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.878 -4.452 15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 94.805 -4.160 16.308 1.00 0.00 H new ATOM 913 N ARG A 54 92.152 -5.458 9.706 1.00 0.00 N ATOM 914 CA ARG A 54 91.745 -6.792 9.176 1.00 0.00 C ATOM 915 C ARG A 54 90.450 -6.628 8.375 1.00 0.00 C ATOM 916 O ARG A 54 89.888 -5.554 8.295 1.00 0.00 O ATOM 917 CB ARG A 54 91.527 -7.783 10.353 1.00 0.00 C ATOM 918 CG ARG A 54 90.051 -7.786 10.808 1.00 0.00 C ATOM 919 CD ARG A 54 89.893 -8.483 12.168 1.00 0.00 C ATOM 920 NE ARG A 54 90.023 -7.472 13.258 1.00 0.00 N ATOM 921 CZ ARG A 54 89.691 -7.784 14.481 1.00 0.00 C ATOM 922 NH1 ARG A 54 89.269 -8.988 14.755 1.00 0.00 N ATOM 923 NH2 ARG A 54 89.783 -6.893 15.429 1.00 0.00 N ATOM 0 H ARG A 54 91.382 -4.817 9.896 1.00 0.00 H new ATOM 0 HA ARG A 54 92.527 -7.191 8.530 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.819 -8.787 10.046 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.169 -7.506 11.190 1.00 0.00 H new ATOM 0 HG2 ARG A 54 89.686 -6.761 10.877 1.00 0.00 H new ATOM 0 HG3 ARG A 54 89.438 -8.293 10.063 1.00 0.00 H new ATOM 0 HD2 ARG A 54 88.922 -8.975 12.227 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.651 -9.258 12.283 1.00 0.00 H new ATOM 0 HE ARG A 54 90.371 -6.537 13.047 1.00 0.00 H new ATOM 0 HH11 ARG A 54 89.199 -9.685 14.013 1.00 0.00 H new ATOM 0 HH12 ARG A 54 89.009 -9.232 15.711 1.00 0.00 H new ATOM 0 HH21 ARG A 54 90.114 -5.952 15.215 1.00 0.00 H new ATOM 0 HH22 ARG A 54 89.524 -7.137 16.385 1.00 0.00 H new ATOM 937 N TRP A 55 89.958 -7.694 7.816 1.00 0.00 N ATOM 938 CA TRP A 55 88.681 -7.611 7.058 1.00 0.00 C ATOM 939 C TRP A 55 88.051 -8.994 6.987 1.00 0.00 C ATOM 940 O TRP A 55 88.650 -9.978 7.352 1.00 0.00 O ATOM 941 CB TRP A 55 88.923 -7.078 5.641 1.00 0.00 C ATOM 942 CG TRP A 55 89.892 -7.957 4.915 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.590 -9.152 4.357 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.305 -7.725 4.644 1.00 0.00 C ATOM 945 NE1 TRP A 55 90.731 -9.674 3.772 1.00 0.00 N ATOM 946 CE2 TRP A 55 91.812 -8.830 3.919 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.188 -6.677 4.956 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.145 -8.891 3.516 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.532 -6.736 4.552 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.008 -7.841 3.832 1.00 0.00 C ATOM 0 H TRP A 55 90.384 -8.620 7.851 1.00 0.00 H new ATOM 0 HA TRP A 55 88.010 -6.923 7.572 1.00 0.00 H new ATOM 0 HB2 TRP A 55 87.981 -7.035 5.095 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.310 -6.060 5.689 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.618 -9.622 4.366 1.00 0.00 H new ATOM 0 HE1 TRP A 55 90.768 -10.573 3.291 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.831 -5.821 5.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.507 -9.745 2.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.203 -5.926 4.797 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.042 -7.879 3.522 1.00 0.00 H new ATOM 961 N ALA A 56 86.839 -9.076 6.524 1.00 0.00 N ATOM 962 CA ALA A 56 86.164 -10.401 6.416 1.00 0.00 C ATOM 963 C ALA A 56 85.219 -10.356 5.217 1.00 0.00 C ATOM 964 O ALA A 56 84.248 -9.625 5.211 1.00 0.00 O ATOM 965 CB ALA A 56 85.384 -10.693 7.701 1.00 0.00 C ATOM 0 H ALA A 56 86.282 -8.280 6.213 1.00 0.00 H new ATOM 0 HA ALA A 56 86.900 -11.193 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 56 84.893 -11.662 7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.070 -10.707 8.548 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.633 -9.918 7.855 1.00 0.00 H new ATOM 971 N ALA A 57 85.503 -11.114 4.192 1.00 0.00 N ATOM 972 CA ALA A 57 84.634 -11.097 2.978 1.00 0.00 C ATOM 973 C ALA A 57 83.671 -12.277 2.999 1.00 0.00 C ATOM 974 O ALA A 57 84.074 -13.423 2.965 1.00 0.00 O ATOM 975 CB ALA A 57 85.513 -11.195 1.734 1.00 0.00 C ATOM 0 H ALA A 57 86.302 -11.746 4.142 1.00 0.00 H new ATOM 0 HA ALA A 57 84.061 -10.170 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 57 84.885 -11.183 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.199 -10.349 1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.083 -12.123 1.764 1.00 0.00 H new ATOM 981 N SER A 58 82.394 -11.998 3.034 1.00 0.00 N ATOM 982 CA SER A 58 81.375 -13.081 3.034 1.00 0.00 C ATOM 983 C SER A 58 80.783 -13.163 1.616 1.00 0.00 C ATOM 984 O SER A 58 80.832 -12.191 0.888 1.00 0.00 O ATOM 985 CB SER A 58 80.280 -12.728 4.052 1.00 0.00 C ATOM 986 OG SER A 58 80.627 -13.275 5.318 1.00 0.00 O ATOM 0 H SER A 58 82.012 -11.052 3.063 1.00 0.00 H new ATOM 0 HA SER A 58 81.812 -14.041 3.309 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.171 -11.646 4.127 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.319 -13.123 3.723 1.00 0.00 H new ATOM 0 HG SER A 58 79.933 -13.051 5.972 1.00 0.00 H new ATOM 992 N PRO A 59 80.237 -14.300 1.249 1.00 0.00 N ATOM 993 CA PRO A 59 79.642 -14.468 -0.093 1.00 0.00 C ATOM 994 C PRO A 59 78.537 -13.423 -0.342 1.00 0.00 C ATOM 995 O PRO A 59 77.812 -13.512 -1.313 1.00 0.00 O ATOM 996 CB PRO A 59 79.062 -15.904 -0.087 1.00 0.00 C ATOM 997 CG PRO A 59 79.233 -16.464 1.353 1.00 0.00 C ATOM 998 CD PRO A 59 80.165 -15.502 2.110 1.00 0.00 C ATOM 0 HA PRO A 59 80.373 -14.324 -0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 59 78.010 -15.895 -0.374 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.584 -16.533 -0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 59 78.268 -16.538 1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 59 79.656 -17.468 1.327 1.00 0.00 H new ATOM 0 HD2 PRO A 59 79.769 -15.260 3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 59 81.151 -15.942 2.261 1.00 0.00 H new ATOM 1006 N LYS A 60 78.381 -12.447 0.524 1.00 0.00 N ATOM 1007 CA LYS A 60 77.301 -11.435 0.313 1.00 0.00 C ATOM 1008 C LYS A 60 77.734 -10.053 0.807 1.00 0.00 C ATOM 1009 O LYS A 60 77.314 -9.045 0.274 1.00 0.00 O ATOM 1010 CB LYS A 60 76.075 -11.872 1.109 1.00 0.00 C ATOM 1011 CG LYS A 60 76.418 -11.892 2.605 1.00 0.00 C ATOM 1012 CD LYS A 60 75.470 -12.837 3.344 1.00 0.00 C ATOM 1013 CE LYS A 60 75.635 -12.651 4.854 1.00 0.00 C ATOM 1014 NZ LYS A 60 75.031 -11.353 5.265 1.00 0.00 N ATOM 0 H LYS A 60 78.950 -12.310 1.359 1.00 0.00 H new ATOM 0 HA LYS A 60 77.083 -11.370 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.246 -11.189 0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.752 -12.861 0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.450 -12.214 2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.339 -10.887 3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 60 74.439 -12.635 3.053 1.00 0.00 H new ATOM 0 HD3 LYS A 60 75.683 -13.870 3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 60 75.155 -13.472 5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 60 76.692 -12.673 5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 74.834 -11.370 6.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 75.693 -10.579 5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 74.144 -11.203 4.744 1.00 0.00 H new ATOM 1028 N SER A 61 78.539 -9.991 1.839 1.00 0.00 N ATOM 1029 CA SER A 61 78.964 -8.657 2.391 1.00 0.00 C ATOM 1030 C SER A 61 80.478 -8.586 2.598 1.00 0.00 C ATOM 1031 O SER A 61 81.181 -9.577 2.574 1.00 0.00 O ATOM 1032 CB SER A 61 78.273 -8.437 3.736 1.00 0.00 C ATOM 1033 OG SER A 61 78.705 -9.432 4.654 1.00 0.00 O ATOM 0 H SER A 61 78.922 -10.802 2.325 1.00 0.00 H new ATOM 0 HA SER A 61 78.682 -7.887 1.673 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.508 -7.444 4.121 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.191 -8.484 3.614 1.00 0.00 H new ATOM 0 HG SER A 61 78.265 -9.293 5.518 1.00 0.00 H new ATOM 1039 N PHE A 62 80.968 -7.390 2.813 1.00 0.00 N ATOM 1040 CA PHE A 62 82.430 -7.163 3.042 1.00 0.00 C ATOM 1041 C PHE A 62 82.595 -6.376 4.344 1.00 0.00 C ATOM 1042 O PHE A 62 81.820 -5.488 4.633 1.00 0.00 O ATOM 1043 CB PHE A 62 83.010 -6.345 1.886 1.00 0.00 C ATOM 1044 CG PHE A 62 84.509 -6.209 2.058 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.323 -7.344 1.993 1.00 0.00 C ATOM 1046 CD2 PHE A 62 85.084 -4.950 2.282 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.709 -7.225 2.152 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.471 -4.831 2.440 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.283 -5.969 2.375 1.00 0.00 C ATOM 0 H PHE A 62 80.403 -6.541 2.840 1.00 0.00 H new ATOM 0 HA PHE A 62 82.951 -8.118 3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.786 -6.830 0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.547 -5.359 1.857 1.00 0.00 H new ATOM 0 HD1 PHE A 62 84.882 -8.314 1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.458 -4.072 2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.335 -8.103 2.102 1.00 0.00 H new ATOM 0 HE2 PHE A 62 86.914 -3.861 2.612 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.352 -5.878 2.497 1.00 0.00 H new ATOM 1059 N THR A 63 83.590 -6.695 5.136 1.00 0.00 N ATOM 1060 CA THR A 63 83.795 -5.962 6.429 1.00 0.00 C ATOM 1061 C THR A 63 85.269 -5.585 6.566 1.00 0.00 C ATOM 1062 O THR A 63 86.140 -6.396 6.352 1.00 0.00 O ATOM 1063 CB THR A 63 83.382 -6.878 7.595 1.00 0.00 C ATOM 1064 OG1 THR A 63 81.965 -6.953 7.650 1.00 0.00 O ATOM 1065 CG2 THR A 63 83.911 -6.330 8.930 1.00 0.00 C ATOM 0 H THR A 63 84.270 -7.431 4.945 1.00 0.00 H new ATOM 0 HA THR A 63 83.189 -5.056 6.445 1.00 0.00 H new ATOM 0 HB THR A 63 83.807 -7.868 7.430 1.00 0.00 H new ATOM 0 HG1 THR A 63 81.586 -6.581 6.826 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.608 -6.992 9.741 1.00 0.00 H new ATOM 0 HG22 THR A 63 84.999 -6.274 8.895 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.502 -5.335 9.102 1.00 0.00 H new ATOM 1073 N LEU A 64 85.546 -4.358 6.939 1.00 0.00 N ATOM 1074 CA LEU A 64 86.966 -3.910 7.121 1.00 0.00 C ATOM 1075 C LEU A 64 87.107 -3.352 8.536 1.00 0.00 C ATOM 1076 O LEU A 64 86.144 -2.922 9.141 1.00 0.00 O ATOM 1077 CB LEU A 64 87.329 -2.827 6.088 1.00 0.00 C ATOM 1078 CG LEU A 64 86.092 -1.961 5.773 1.00 0.00 C ATOM 1079 CD1 LEU A 64 86.534 -0.549 5.359 1.00 0.00 C ATOM 1080 CD2 LEU A 64 85.268 -2.598 4.631 1.00 0.00 C ATOM 0 H LEU A 64 84.845 -3.642 7.127 1.00 0.00 H new ATOM 0 HA LEU A 64 87.643 -4.752 6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.133 -2.200 6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.698 -3.293 5.175 1.00 0.00 H new ATOM 0 HG LEU A 64 85.473 -1.900 6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 64 85.655 0.057 5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 64 87.096 -0.090 6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 64 87.165 -0.611 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.398 -1.976 4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 64 85.885 -2.675 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.939 -3.593 4.931 1.00 0.00 H new ATOM 1092 N ASP A 65 88.298 -3.372 9.072 1.00 0.00 N ATOM 1093 CA ASP A 65 88.521 -2.861 10.462 1.00 0.00 C ATOM 1094 C ASP A 65 89.698 -1.890 10.471 1.00 0.00 C ATOM 1095 O ASP A 65 90.760 -2.178 9.959 1.00 0.00 O ATOM 1096 CB ASP A 65 88.831 -4.041 11.388 1.00 0.00 C ATOM 1097 CG ASP A 65 87.762 -5.124 11.218 1.00 0.00 C ATOM 1098 OD1 ASP A 65 87.422 -5.423 10.086 1.00 0.00 O ATOM 1099 OD2 ASP A 65 87.306 -5.641 12.224 1.00 0.00 O ATOM 0 H ASP A 65 89.134 -3.723 8.605 1.00 0.00 H new ATOM 0 HA ASP A 65 87.625 -2.345 10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 65 89.815 -4.448 11.157 1.00 0.00 H new ATOM 0 HB3 ASP A 65 88.860 -3.705 12.424 1.00 0.00 H new ATOM 1104 N PHE A 66 89.516 -0.738 11.058 1.00 0.00 N ATOM 1105 CA PHE A 66 90.618 0.265 11.118 1.00 0.00 C ATOM 1106 C PHE A 66 91.316 0.144 12.469 1.00 0.00 C ATOM 1107 O PHE A 66 92.280 0.829 12.749 1.00 0.00 O ATOM 1108 CB PHE A 66 90.027 1.667 10.979 1.00 0.00 C ATOM 1109 CG PHE A 66 89.428 1.824 9.599 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.262 1.835 8.474 1.00 0.00 C ATOM 1111 CD2 PHE A 66 88.042 1.958 9.443 1.00 0.00 C ATOM 1112 CE1 PHE A 66 89.711 1.979 7.195 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.492 2.102 8.164 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.326 2.113 7.040 1.00 0.00 C ATOM 0 H PHE A 66 88.645 -0.447 11.502 1.00 0.00 H new ATOM 0 HA PHE A 66 91.331 0.088 10.313 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.263 1.829 11.740 1.00 0.00 H new ATOM 0 HB3 PHE A 66 90.801 2.418 11.139 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.330 1.732 8.593 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.398 1.950 10.310 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.355 1.987 6.328 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.424 2.205 8.044 1.00 0.00 H new ATOM 0 HZ PHE A 66 87.901 2.225 6.053 1.00 0.00 H new ATOM 1124 N GLY A 67 90.828 -0.722 13.311 1.00 0.00 N ATOM 1125 CA GLY A 67 91.448 -0.894 14.653 1.00 0.00 C ATOM 1126 C GLY A 67 90.936 0.202 15.586 1.00 0.00 C ATOM 1127 O GLY A 67 91.218 0.207 16.767 1.00 0.00 O ATOM 0 H GLY A 67 90.023 -1.321 13.127 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.203 -1.876 15.057 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.534 -0.844 14.574 1.00 0.00 H new ATOM 1131 N ASP A 68 90.184 1.134 15.063 1.00 0.00 N ATOM 1132 CA ASP A 68 89.652 2.233 15.918 1.00 0.00 C ATOM 1133 C ASP A 68 88.339 1.791 16.567 1.00 0.00 C ATOM 1134 O ASP A 68 87.268 2.022 16.042 1.00 0.00 O ATOM 1135 CB ASP A 68 89.408 3.473 15.058 1.00 0.00 C ATOM 1136 CG ASP A 68 90.554 3.636 14.058 1.00 0.00 C ATOM 1137 OD1 ASP A 68 91.632 3.137 14.337 1.00 0.00 O ATOM 1138 OD2 ASP A 68 90.333 4.257 13.032 1.00 0.00 O ATOM 0 H ASP A 68 89.916 1.181 14.080 1.00 0.00 H new ATOM 0 HA ASP A 68 90.376 2.469 16.698 1.00 0.00 H new ATOM 0 HB2 ASP A 68 88.460 3.380 14.528 1.00 0.00 H new ATOM 0 HB3 ASP A 68 89.335 4.358 15.690 1.00 0.00 H new ATOM 1143 N TYR A 69 88.413 1.162 17.709 1.00 0.00 N ATOM 1144 CA TYR A 69 87.173 0.710 18.400 1.00 0.00 C ATOM 1145 C TYR A 69 86.149 1.848 18.401 1.00 0.00 C ATOM 1146 O TYR A 69 84.975 1.647 18.159 1.00 0.00 O ATOM 1147 CB TYR A 69 87.517 0.328 19.842 1.00 0.00 C ATOM 1148 CG TYR A 69 86.248 0.046 20.608 1.00 0.00 C ATOM 1149 CD1 TYR A 69 85.603 -1.185 20.459 1.00 0.00 C ATOM 1150 CD2 TYR A 69 85.717 1.017 21.465 1.00 0.00 C ATOM 1151 CE1 TYR A 69 84.425 -1.448 21.168 1.00 0.00 C ATOM 1152 CE2 TYR A 69 84.539 0.756 22.175 1.00 0.00 C ATOM 1153 CZ TYR A 69 83.893 -0.477 22.026 1.00 0.00 C ATOM 1154 OH TYR A 69 82.732 -0.736 22.726 1.00 0.00 O ATOM 0 H TYR A 69 89.283 0.941 18.194 1.00 0.00 H new ATOM 0 HA TYR A 69 86.753 -0.152 17.882 1.00 0.00 H new ATOM 0 HB2 TYR A 69 88.162 -0.550 19.852 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.071 1.136 20.321 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.013 -1.933 19.797 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.216 1.968 21.579 1.00 0.00 H new ATOM 0 HE1 TYR A 69 83.927 -2.399 21.054 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.129 1.505 22.837 1.00 0.00 H new ATOM 0 HH TYR A 69 82.501 0.042 23.276 1.00 0.00 H new ATOM 1164 N GLN A 70 86.593 3.040 18.675 1.00 0.00 N ATOM 1165 CA GLN A 70 85.662 4.203 18.698 1.00 0.00 C ATOM 1166 C GLN A 70 84.883 4.261 17.378 1.00 0.00 C ATOM 1167 O GLN A 70 83.669 4.216 17.362 1.00 0.00 O ATOM 1168 CB GLN A 70 86.471 5.506 18.890 1.00 0.00 C ATOM 1169 CG GLN A 70 87.898 5.334 18.343 1.00 0.00 C ATOM 1170 CD GLN A 70 88.800 4.701 19.409 1.00 0.00 C ATOM 1171 OE1 GLN A 70 88.983 5.256 20.475 1.00 0.00 O ATOM 1172 NE2 GLN A 70 89.374 3.555 19.164 1.00 0.00 N ATOM 0 H GLN A 70 87.566 3.262 18.885 1.00 0.00 H new ATOM 0 HA GLN A 70 84.959 4.093 19.524 1.00 0.00 H new ATOM 0 HB2 GLN A 70 85.974 6.329 18.377 1.00 0.00 H new ATOM 0 HB3 GLN A 70 86.509 5.766 19.948 1.00 0.00 H new ATOM 0 HG2 GLN A 70 87.881 4.707 17.452 1.00 0.00 H new ATOM 0 HG3 GLN A 70 88.300 6.302 18.044 1.00 0.00 H new ATOM 0 HE21 GLN A 70 89.221 3.089 18.270 1.00 0.00 H new ATOM 0 HE22 GLN A 70 89.976 3.125 19.867 1.00 0.00 H new ATOM 1181 N ASP A 71 85.570 4.368 16.275 1.00 0.00 N ATOM 1182 CA ASP A 71 84.867 4.436 14.968 1.00 0.00 C ATOM 1183 C ASP A 71 84.067 3.152 14.757 1.00 0.00 C ATOM 1184 O ASP A 71 82.985 3.162 14.205 1.00 0.00 O ATOM 1185 CB ASP A 71 85.900 4.594 13.852 1.00 0.00 C ATOM 1186 CG ASP A 71 85.224 5.133 12.588 1.00 0.00 C ATOM 1187 OD1 ASP A 71 84.423 4.414 12.016 1.00 0.00 O ATOM 1188 OD2 ASP A 71 85.520 6.256 12.216 1.00 0.00 O ATOM 0 H ASP A 71 86.588 4.411 16.224 1.00 0.00 H new ATOM 0 HA ASP A 71 84.187 5.288 14.955 1.00 0.00 H new ATOM 0 HB2 ASP A 71 86.691 5.274 14.170 1.00 0.00 H new ATOM 0 HB3 ASP A 71 86.371 3.634 13.642 1.00 0.00 H new ATOM 1193 N GLY A 72 84.597 2.045 15.196 1.00 0.00 N ATOM 1194 CA GLY A 72 83.879 0.750 15.029 1.00 0.00 C ATOM 1195 C GLY A 72 84.192 0.163 13.653 1.00 0.00 C ATOM 1196 O GLY A 72 84.865 0.771 12.845 1.00 0.00 O ATOM 0 H GLY A 72 85.500 1.981 15.665 1.00 0.00 H new ATOM 0 HA2 GLY A 72 84.181 0.052 15.810 1.00 0.00 H new ATOM 0 HA3 GLY A 72 82.805 0.902 15.135 1.00 0.00 H new ATOM 1200 N TYR A 73 83.712 -1.020 13.382 1.00 0.00 N ATOM 1201 CA TYR A 73 83.985 -1.653 12.062 1.00 0.00 C ATOM 1202 C TYR A 73 83.109 -1.009 10.985 1.00 0.00 C ATOM 1203 O TYR A 73 82.156 -0.312 11.276 1.00 0.00 O ATOM 1204 CB TYR A 73 83.670 -3.147 12.140 1.00 0.00 C ATOM 1205 CG TYR A 73 84.409 -3.763 13.304 1.00 0.00 C ATOM 1206 CD1 TYR A 73 85.805 -3.785 13.301 1.00 0.00 C ATOM 1207 CD2 TYR A 73 83.703 -4.318 14.379 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.502 -4.359 14.370 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.397 -4.891 15.451 1.00 0.00 C ATOM 1210 CZ TYR A 73 85.798 -4.913 15.446 1.00 0.00 C ATOM 1211 OH TYR A 73 86.483 -5.480 16.502 1.00 0.00 O ATOM 0 H TYR A 73 83.142 -1.576 14.019 1.00 0.00 H new ATOM 0 HA TYR A 73 85.035 -1.510 11.807 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.597 -3.296 12.258 1.00 0.00 H new ATOM 0 HB3 TYR A 73 83.960 -3.639 11.211 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.348 -3.358 12.471 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.623 -4.304 14.381 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.582 -4.375 14.365 1.00 0.00 H new ATOM 0 HE2 TYR A 73 83.853 -5.316 16.282 1.00 0.00 H new ATOM 0 HH TYR A 73 85.843 -5.816 17.164 1.00 0.00 H new ATOM 1221 N TYR A 74 83.426 -1.251 9.739 1.00 0.00 N ATOM 1222 CA TYR A 74 82.631 -0.684 8.612 1.00 0.00 C ATOM 1223 C TYR A 74 82.336 -1.807 7.622 1.00 0.00 C ATOM 1224 O TYR A 74 83.211 -2.274 6.924 1.00 0.00 O ATOM 1225 CB TYR A 74 83.447 0.405 7.917 1.00 0.00 C ATOM 1226 CG TYR A 74 82.626 1.056 6.828 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.768 2.117 7.137 1.00 0.00 C ATOM 1228 CD2 TYR A 74 82.730 0.603 5.507 1.00 0.00 C ATOM 1229 CE1 TYR A 74 81.014 2.725 6.126 1.00 0.00 C ATOM 1230 CE2 TYR A 74 81.976 1.210 4.496 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.118 2.272 4.805 1.00 0.00 C ATOM 1232 OH TYR A 74 80.375 2.872 3.809 1.00 0.00 O ATOM 0 H TYR A 74 84.217 -1.828 9.452 1.00 0.00 H new ATOM 0 HA TYR A 74 81.700 -0.254 8.983 1.00 0.00 H new ATOM 0 HB2 TYR A 74 83.761 1.155 8.644 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.354 -0.025 7.491 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.687 2.467 8.155 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.393 -0.216 5.268 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.352 3.544 6.365 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.056 0.859 3.478 1.00 0.00 H new ATOM 0 HH TYR A 74 79.428 2.869 4.061 1.00 0.00 H new ATOM 1242 N SER A 75 81.112 -2.251 7.568 1.00 0.00 N ATOM 1243 CA SER A 75 80.740 -3.361 6.634 1.00 0.00 C ATOM 1244 C SER A 75 79.549 -2.955 5.774 1.00 0.00 C ATOM 1245 O SER A 75 78.755 -2.110 6.137 1.00 0.00 O ATOM 1246 CB SER A 75 80.378 -4.604 7.447 1.00 0.00 C ATOM 1247 OG SER A 75 80.257 -5.718 6.572 1.00 0.00 O ATOM 0 H SER A 75 80.343 -1.892 8.134 1.00 0.00 H new ATOM 0 HA SER A 75 81.588 -3.575 5.983 1.00 0.00 H new ATOM 0 HB2 SER A 75 81.144 -4.798 8.197 1.00 0.00 H new ATOM 0 HB3 SER A 75 79.442 -4.443 7.982 1.00 0.00 H new ATOM 0 HG SER A 75 80.668 -5.502 5.709 1.00 0.00 H new ATOM 1253 N VAL A 76 79.432 -3.559 4.623 1.00 0.00 N ATOM 1254 CA VAL A 76 78.308 -3.235 3.699 1.00 0.00 C ATOM 1255 C VAL A 76 78.004 -4.464 2.839 1.00 0.00 C ATOM 1256 O VAL A 76 78.725 -5.441 2.866 1.00 0.00 O ATOM 1257 CB VAL A 76 78.717 -2.070 2.795 1.00 0.00 C ATOM 1258 CG1 VAL A 76 78.884 -0.803 3.634 1.00 0.00 C ATOM 1259 CG2 VAL A 76 80.047 -2.400 2.115 1.00 0.00 C ATOM 0 H VAL A 76 80.075 -4.272 4.279 1.00 0.00 H new ATOM 0 HA VAL A 76 77.423 -2.956 4.272 1.00 0.00 H new ATOM 0 HB VAL A 76 77.946 -1.909 2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.175 0.025 2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 76 77.941 -0.565 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.655 -0.964 4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.341 -1.572 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.814 -2.560 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.935 -3.304 1.516 1.00 0.00 H new ATOM 1269 N GLN A 77 76.946 -4.428 2.077 1.00 0.00 N ATOM 1270 CA GLN A 77 76.610 -5.600 1.224 1.00 0.00 C ATOM 1271 C GLN A 77 77.508 -5.594 -0.019 1.00 0.00 C ATOM 1272 O GLN A 77 77.687 -4.579 -0.662 1.00 0.00 O ATOM 1273 CB GLN A 77 75.133 -5.503 0.804 1.00 0.00 C ATOM 1274 CG GLN A 77 74.235 -6.211 1.836 1.00 0.00 C ATOM 1275 CD GLN A 77 74.145 -7.707 1.515 1.00 0.00 C ATOM 1276 OE1 GLN A 77 73.270 -8.133 0.787 1.00 0.00 O ATOM 1277 NE2 GLN A 77 75.020 -8.525 2.031 1.00 0.00 N ATOM 0 H GLN A 77 76.302 -3.640 2.009 1.00 0.00 H new ATOM 0 HA GLN A 77 76.771 -6.526 1.777 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.841 -4.457 0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 77 74.997 -5.956 -0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.638 -6.070 2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 77 73.239 -5.768 1.828 1.00 0.00 H new ATOM 0 HE21 GLN A 77 75.754 -8.167 2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 77 74.970 -9.522 1.824 1.00 0.00 H new ATOM 1286 N THR A 78 78.062 -6.728 -0.363 1.00 0.00 N ATOM 1287 CA THR A 78 78.944 -6.812 -1.561 1.00 0.00 C ATOM 1288 C THR A 78 78.868 -8.217 -2.143 1.00 0.00 C ATOM 1289 O THR A 78 79.195 -9.190 -1.492 1.00 0.00 O ATOM 1290 CB THR A 78 80.399 -6.538 -1.177 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.905 -7.643 -0.439 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.495 -5.275 -0.327 1.00 0.00 C ATOM 0 H THR A 78 77.939 -7.606 0.141 1.00 0.00 H new ATOM 0 HA THR A 78 78.610 -6.071 -2.287 1.00 0.00 H new ATOM 0 HB THR A 78 80.985 -6.397 -2.085 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.290 -8.401 -0.523 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.536 -5.093 -0.062 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.111 -4.426 -0.892 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.906 -5.402 0.581 1.00 0.00 H new ATOM 1300 N THR A 79 78.463 -8.331 -3.367 1.00 0.00 N ATOM 1301 CA THR A 79 78.393 -9.672 -4.000 1.00 0.00 C ATOM 1302 C THR A 79 79.814 -10.119 -4.326 1.00 0.00 C ATOM 1303 O THR A 79 80.088 -11.289 -4.506 1.00 0.00 O ATOM 1304 CB THR A 79 77.582 -9.583 -5.290 1.00 0.00 C ATOM 1305 OG1 THR A 79 76.275 -9.107 -4.997 1.00 0.00 O ATOM 1306 CG2 THR A 79 77.494 -10.964 -5.938 1.00 0.00 C ATOM 0 H THR A 79 78.176 -7.553 -3.961 1.00 0.00 H new ATOM 0 HA THR A 79 77.916 -10.384 -3.326 1.00 0.00 H new ATOM 0 HB THR A 79 78.071 -8.894 -5.979 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.755 -9.048 -5.826 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.914 -10.898 -6.859 1.00 0.00 H new ATOM 0 HG22 THR A 79 78.497 -11.324 -6.166 1.00 0.00 H new ATOM 0 HG23 THR A 79 77.007 -11.657 -5.252 1.00 0.00 H new ATOM 1314 N GLU A 80 80.720 -9.176 -4.403 1.00 0.00 N ATOM 1315 CA GLU A 80 82.146 -9.494 -4.719 1.00 0.00 C ATOM 1316 C GLU A 80 83.019 -9.187 -3.504 1.00 0.00 C ATOM 1317 O GLU A 80 84.190 -8.890 -3.628 1.00 0.00 O ATOM 1318 CB GLU A 80 82.605 -8.633 -5.897 1.00 0.00 C ATOM 1319 CG GLU A 80 81.653 -8.831 -7.082 1.00 0.00 C ATOM 1320 CD GLU A 80 82.317 -8.329 -8.366 1.00 0.00 C ATOM 1321 OE1 GLU A 80 83.383 -7.742 -8.267 1.00 0.00 O ATOM 1322 OE2 GLU A 80 81.750 -8.541 -9.425 1.00 0.00 O ATOM 0 H GLU A 80 80.528 -8.185 -4.258 1.00 0.00 H new ATOM 0 HA GLU A 80 82.235 -10.550 -4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.626 -7.583 -5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.621 -8.904 -6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 80 81.396 -9.886 -7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 80 80.722 -8.291 -6.907 1.00 0.00 H new ATOM 1329 N GLY A 81 82.457 -9.259 -2.332 1.00 0.00 N ATOM 1330 CA GLY A 81 83.252 -8.972 -1.101 1.00 0.00 C ATOM 1331 C GLY A 81 84.589 -9.711 -1.171 1.00 0.00 C ATOM 1332 O GLY A 81 85.527 -9.391 -0.469 1.00 0.00 O ATOM 0 H GLY A 81 81.480 -9.504 -2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.422 -7.899 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.698 -9.285 -0.216 1.00 0.00 H new ATOM 1336 N GLU A 82 84.681 -10.693 -2.023 1.00 0.00 N ATOM 1337 CA GLU A 82 85.954 -11.453 -2.154 1.00 0.00 C ATOM 1338 C GLU A 82 86.920 -10.643 -3.019 1.00 0.00 C ATOM 1339 O GLU A 82 88.012 -10.305 -2.607 1.00 0.00 O ATOM 1340 CB GLU A 82 85.659 -12.809 -2.815 1.00 0.00 C ATOM 1341 CG GLU A 82 86.947 -13.420 -3.369 1.00 0.00 C ATOM 1342 CD GLU A 82 86.759 -14.923 -3.596 1.00 0.00 C ATOM 1343 OE1 GLU A 82 86.186 -15.565 -2.731 1.00 0.00 O ATOM 1344 OE2 GLU A 82 87.193 -15.405 -4.629 1.00 0.00 O ATOM 0 H GLU A 82 83.927 -11.003 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 82 86.402 -11.624 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.211 -13.486 -2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 82 84.935 -12.680 -3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.216 -12.933 -4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.769 -13.249 -2.674 1.00 0.00 H new ATOM 1351 N GLN A 83 86.516 -10.328 -4.214 1.00 0.00 N ATOM 1352 CA GLN A 83 87.395 -9.535 -5.117 1.00 0.00 C ATOM 1353 C GLN A 83 87.843 -8.289 -4.377 1.00 0.00 C ATOM 1354 O GLN A 83 89.009 -7.949 -4.348 1.00 0.00 O ATOM 1355 CB GLN A 83 86.627 -9.124 -6.374 1.00 0.00 C ATOM 1356 CG GLN A 83 85.911 -10.329 -6.972 1.00 0.00 C ATOM 1357 CD GLN A 83 85.025 -9.873 -8.127 1.00 0.00 C ATOM 1358 OE1 GLN A 83 85.368 -8.964 -8.856 1.00 0.00 O ATOM 1359 NE2 GLN A 83 83.890 -10.477 -8.322 1.00 0.00 N ATOM 0 H GLN A 83 85.611 -10.586 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 83 88.255 -10.137 -5.411 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.903 -8.347 -6.129 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.314 -8.700 -7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.639 -11.060 -7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.308 -10.822 -6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 83 83.606 -11.240 -7.707 1.00 0.00 H new ATOM 0 HE22 GLN A 83 83.284 -10.188 -9.090 1.00 0.00 H new ATOM 1368 N ILE A 84 86.922 -7.617 -3.758 1.00 0.00 N ATOM 1369 CA ILE A 84 87.289 -6.399 -2.992 1.00 0.00 C ATOM 1370 C ILE A 84 88.384 -6.783 -2.001 1.00 0.00 C ATOM 1371 O ILE A 84 89.208 -5.976 -1.622 1.00 0.00 O ATOM 1372 CB ILE A 84 86.063 -5.879 -2.238 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.919 -5.649 -3.231 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.405 -4.557 -1.543 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.710 -5.066 -2.498 1.00 0.00 C ATOM 0 H ILE A 84 85.931 -7.857 -3.748 1.00 0.00 H new ATOM 0 HA ILE A 84 87.643 -5.616 -3.662 1.00 0.00 H new ATOM 0 HB ILE A 84 85.761 -6.612 -1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 84 85.241 -4.969 -4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.647 -6.589 -3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.529 -4.190 -1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 84 87.221 -4.717 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.708 -3.822 -2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.898 -4.904 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.383 -5.761 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.986 -4.117 -2.039 1.00 0.00 H new ATOM 1387 N ALA A 85 88.398 -8.023 -1.589 1.00 0.00 N ATOM 1388 CA ALA A 85 89.440 -8.486 -0.631 1.00 0.00 C ATOM 1389 C ALA A 85 90.704 -8.851 -1.406 1.00 0.00 C ATOM 1390 O ALA A 85 91.807 -8.717 -0.916 1.00 0.00 O ATOM 1391 CB ALA A 85 88.924 -9.713 0.125 1.00 0.00 C ATOM 0 H ALA A 85 87.729 -8.737 -1.877 1.00 0.00 H new ATOM 0 HA ALA A 85 89.667 -7.694 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.685 -10.054 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 85 88.018 -9.450 0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.701 -10.510 -0.584 1.00 0.00 H new ATOM 1397 N GLN A 86 90.550 -9.307 -2.620 1.00 0.00 N ATOM 1398 CA GLN A 86 91.739 -9.673 -3.431 1.00 0.00 C ATOM 1399 C GLN A 86 92.348 -8.397 -3.993 1.00 0.00 C ATOM 1400 O GLN A 86 93.550 -8.245 -4.076 1.00 0.00 O ATOM 1401 CB GLN A 86 91.308 -10.590 -4.573 1.00 0.00 C ATOM 1402 CG GLN A 86 92.527 -11.307 -5.147 1.00 0.00 C ATOM 1403 CD GLN A 86 92.177 -11.921 -6.500 1.00 0.00 C ATOM 1404 OE1 GLN A 86 91.274 -11.468 -7.173 1.00 0.00 O ATOM 1405 NE2 GLN A 86 92.863 -12.942 -6.929 1.00 0.00 N ATOM 0 H GLN A 86 89.651 -9.441 -3.082 1.00 0.00 H new ATOM 0 HA GLN A 86 92.473 -10.194 -2.817 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.582 -11.319 -4.212 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.816 -10.009 -5.353 1.00 0.00 H new ATOM 0 HG2 GLN A 86 93.354 -10.605 -5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.860 -12.085 -4.460 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.621 -13.321 -6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.642 -13.362 -7.832 1.00 0.00 H new ATOM 1414 N LEU A 87 91.515 -7.471 -4.362 1.00 0.00 N ATOM 1415 CA LEU A 87 92.021 -6.188 -4.899 1.00 0.00 C ATOM 1416 C LEU A 87 92.659 -5.428 -3.745 1.00 0.00 C ATOM 1417 O LEU A 87 93.716 -4.843 -3.868 1.00 0.00 O ATOM 1418 CB LEU A 87 90.849 -5.385 -5.474 1.00 0.00 C ATOM 1419 CG LEU A 87 91.324 -3.998 -5.918 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.479 -4.132 -6.926 1.00 0.00 C ATOM 1421 CD2 LEU A 87 90.153 -3.259 -6.573 1.00 0.00 C ATOM 0 H LEU A 87 90.499 -7.550 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 87 92.751 -6.354 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.415 -5.917 -6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 87 90.064 -5.286 -4.724 1.00 0.00 H new ATOM 0 HG LEU A 87 91.678 -3.440 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.809 -3.140 -7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.310 -4.662 -6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 87 92.138 -4.689 -7.799 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.480 -2.270 -6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.805 -3.823 -7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.340 -3.157 -5.855 1.00 0.00 H new ATOM 1433 N ILE A 88 92.017 -5.459 -2.615 1.00 0.00 N ATOM 1434 CA ILE A 88 92.561 -4.771 -1.417 1.00 0.00 C ATOM 1435 C ILE A 88 93.813 -5.521 -0.965 1.00 0.00 C ATOM 1436 O ILE A 88 94.871 -4.949 -0.791 1.00 0.00 O ATOM 1437 CB ILE A 88 91.503 -4.812 -0.301 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.351 -3.828 -0.621 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.144 -4.466 1.054 1.00 0.00 C ATOM 1440 CD1 ILE A 88 90.677 -2.409 -0.132 1.00 0.00 C ATOM 0 H ILE A 88 91.128 -5.937 -2.469 1.00 0.00 H new ATOM 0 HA ILE A 88 92.809 -3.734 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 88 91.093 -5.820 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 88 90.171 -3.812 -1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 88 89.432 -4.175 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.384 -4.499 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 88 92.928 -5.188 1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.574 -3.466 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 88 89.849 -1.742 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 88 90.831 -2.422 0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 88 91.583 -2.054 -0.624 1.00 0.00 H new ATOM 1452 N ALA A 89 93.692 -6.804 -0.781 1.00 0.00 N ATOM 1453 CA ALA A 89 94.863 -7.612 -0.347 1.00 0.00 C ATOM 1454 C ALA A 89 95.968 -7.476 -1.390 1.00 0.00 C ATOM 1455 O ALA A 89 97.119 -7.776 -1.140 1.00 0.00 O ATOM 1456 CB ALA A 89 94.453 -9.081 -0.227 1.00 0.00 C ATOM 0 H ALA A 89 92.828 -7.330 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 89 95.220 -7.258 0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.311 -9.673 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.654 -9.177 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 89 94.102 -9.441 -1.194 1.00 0.00 H new ATOM 1462 N GLY A 90 95.620 -7.031 -2.568 1.00 0.00 N ATOM 1463 CA GLY A 90 96.637 -6.879 -3.647 1.00 0.00 C ATOM 1464 C GLY A 90 97.311 -5.508 -3.554 1.00 0.00 C ATOM 1465 O GLY A 90 98.430 -5.334 -3.988 1.00 0.00 O ATOM 0 H GLY A 90 94.671 -6.765 -2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.386 -7.666 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.163 -6.993 -4.622 1.00 0.00 H new ATOM 1469 N TYR A 91 96.648 -4.526 -2.999 1.00 0.00 N ATOM 1470 CA TYR A 91 97.276 -3.174 -2.899 1.00 0.00 C ATOM 1471 C TYR A 91 98.169 -3.122 -1.656 1.00 0.00 C ATOM 1472 O TYR A 91 99.111 -2.359 -1.589 1.00 0.00 O ATOM 1473 CB TYR A 91 96.178 -2.099 -2.779 1.00 0.00 C ATOM 1474 CG TYR A 91 95.656 -1.701 -4.150 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.528 -1.175 -5.119 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.293 -1.842 -4.446 1.00 0.00 C ATOM 1477 CE1 TYR A 91 96.035 -0.800 -6.374 1.00 0.00 C ATOM 1478 CE2 TYR A 91 93.805 -1.464 -5.701 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.675 -0.945 -6.665 1.00 0.00 C ATOM 1480 OH TYR A 91 94.190 -0.573 -7.903 1.00 0.00 O ATOM 0 H TYR A 91 95.707 -4.600 -2.614 1.00 0.00 H new ATOM 0 HA TYR A 91 97.872 -2.986 -3.792 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.358 -2.478 -2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.576 -1.222 -2.269 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.578 -1.060 -4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.619 -2.243 -3.704 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.706 -0.398 -7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.754 -1.573 -5.926 1.00 0.00 H new ATOM 0 HH TYR A 91 93.225 -0.740 -7.940 1.00 0.00 H new ATOM 1490 N ILE A 92 97.871 -3.914 -0.669 1.00 0.00 N ATOM 1491 CA ILE A 92 98.690 -3.896 0.573 1.00 0.00 C ATOM 1492 C ILE A 92 100.056 -4.538 0.316 1.00 0.00 C ATOM 1493 O ILE A 92 101.022 -4.254 0.993 1.00 0.00 O ATOM 1494 CB ILE A 92 97.955 -4.673 1.663 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.583 -4.032 1.893 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.768 -4.632 2.960 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.743 -4.919 2.814 1.00 0.00 C ATOM 0 H ILE A 92 97.094 -4.575 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 92 98.843 -2.864 0.890 1.00 0.00 H new ATOM 0 HB ILE A 92 97.828 -5.711 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.703 -3.043 2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.072 -3.894 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.242 -5.187 3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.746 -5.083 2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 92 98.896 -3.597 3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.768 -4.458 2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.610 -5.898 2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.251 -5.034 3.771 1.00 0.00 H new ATOM 1509 N ASP A 93 100.141 -5.407 -0.651 1.00 0.00 N ATOM 1510 CA ASP A 93 101.440 -6.078 -0.946 1.00 0.00 C ATOM 1511 C ASP A 93 102.297 -5.201 -1.863 1.00 0.00 C ATOM 1512 O ASP A 93 103.499 -5.361 -1.944 1.00 0.00 O ATOM 1513 CB ASP A 93 101.163 -7.412 -1.640 1.00 0.00 C ATOM 1514 CG ASP A 93 100.559 -8.394 -0.635 1.00 0.00 C ATOM 1515 OD1 ASP A 93 100.667 -8.138 0.553 1.00 0.00 O ATOM 1516 OD2 ASP A 93 99.997 -9.386 -1.070 1.00 0.00 O ATOM 0 H ASP A 93 99.365 -5.683 -1.253 1.00 0.00 H new ATOM 0 HA ASP A 93 101.978 -6.242 -0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.479 -7.264 -2.476 1.00 0.00 H new ATOM 0 HB3 ASP A 93 102.087 -7.819 -2.052 1.00 0.00 H new ATOM 1521 N ILE A 94 101.688 -4.289 -2.568 1.00 0.00 N ATOM 1522 CA ILE A 94 102.461 -3.414 -3.499 1.00 0.00 C ATOM 1523 C ILE A 94 103.004 -2.194 -2.758 1.00 0.00 C ATOM 1524 O ILE A 94 103.988 -1.603 -3.155 1.00 0.00 O ATOM 1525 CB ILE A 94 101.545 -2.954 -4.629 1.00 0.00 C ATOM 1526 CG1 ILE A 94 101.002 -4.181 -5.364 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.338 -2.084 -5.605 1.00 0.00 C ATOM 1528 CD1 ILE A 94 99.865 -3.760 -6.296 1.00 0.00 C ATOM 0 H ILE A 94 100.684 -4.110 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 94 103.300 -3.980 -3.904 1.00 0.00 H new ATOM 0 HB ILE A 94 100.717 -2.375 -4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 94 101.798 -4.656 -5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.643 -4.918 -4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 94 101.684 -1.755 -6.413 1.00 0.00 H new ATOM 0 HG22 ILE A 94 102.732 -1.214 -5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.164 -2.662 -6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.480 -4.636 -6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 94 99.065 -3.305 -5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.239 -3.039 -7.023 1.00 0.00 H new ATOM 1540 N ILE A 95 102.371 -1.804 -1.692 1.00 0.00 N ATOM 1541 CA ILE A 95 102.856 -0.614 -0.934 1.00 0.00 C ATOM 1542 C ILE A 95 103.957 -1.037 0.032 1.00 0.00 C ATOM 1543 O ILE A 95 104.833 -0.270 0.374 1.00 0.00 O ATOM 1544 CB ILE A 95 101.703 -0.009 -0.138 1.00 0.00 C ATOM 1545 CG1 ILE A 95 101.059 -1.092 0.735 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.663 0.564 -1.099 1.00 0.00 C ATOM 1547 CD1 ILE A 95 99.828 -0.518 1.443 1.00 0.00 C ATOM 0 H ILE A 95 101.539 -2.254 -1.310 1.00 0.00 H new ATOM 0 HA ILE A 95 103.245 0.123 -1.637 1.00 0.00 H new ATOM 0 HB ILE A 95 102.082 0.790 0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 95 100.772 -1.946 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 95 101.777 -1.455 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 95 99.840 0.996 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 95 101.123 1.337 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.283 -0.231 -1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.372 -1.290 2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 95 100.128 0.321 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 95 99.107 -0.177 0.700 1.00 0.00 H new ATOM 1559 N LEU A 96 103.897 -2.250 0.491 1.00 0.00 N ATOM 1560 CA LEU A 96 104.916 -2.739 1.462 1.00 0.00 C ATOM 1561 C LEU A 96 106.223 -3.098 0.739 1.00 0.00 C ATOM 1562 O LEU A 96 107.299 -2.924 1.275 1.00 0.00 O ATOM 1563 CB LEU A 96 104.342 -3.976 2.182 1.00 0.00 C ATOM 1564 CG LEU A 96 103.666 -3.562 3.506 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.631 -4.613 3.907 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.716 -3.449 4.619 1.00 0.00 C ATOM 0 H LEU A 96 103.182 -2.931 0.236 1.00 0.00 H new ATOM 0 HA LEU A 96 105.143 -1.957 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.619 -4.477 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 96 105.140 -4.691 2.382 1.00 0.00 H new ATOM 0 HG LEU A 96 103.179 -2.597 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 96 102.156 -4.317 4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 96 101.875 -4.696 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 96 103.123 -5.577 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 96 104.230 -3.156 5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.208 -4.412 4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.457 -2.698 4.345 1.00 0.00 H new ATOM 1681 N TRP B 2 88.240 -15.292 9.752 1.00 0.00 N ATOM 1682 CA TRP B 2 88.735 -13.892 9.608 1.00 0.00 C ATOM 1683 C TRP B 2 90.000 -13.891 8.741 1.00 0.00 C ATOM 1684 O TRP B 2 90.491 -14.923 8.329 1.00 0.00 O ATOM 1685 CB TRP B 2 89.062 -13.315 11.002 1.00 0.00 C ATOM 1686 CG TRP B 2 87.856 -12.655 11.595 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.079 -13.186 12.564 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.289 -11.350 11.283 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.069 -12.291 12.869 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.156 -11.143 12.105 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.643 -10.337 10.375 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.403 -9.971 12.029 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 86.888 -9.156 10.297 1.00 0.00 C ATOM 1694 CH2 TRP B 2 85.772 -8.974 11.122 1.00 0.00 C ATOM 0 HA TRP B 2 87.968 -13.278 9.136 1.00 0.00 H new ATOM 0 HB2 TRP B 2 89.407 -14.113 11.660 1.00 0.00 H new ATOM 0 HB3 TRP B 2 89.875 -12.594 10.921 1.00 0.00 H new ATOM 0 HD1 TRP B 2 87.223 -14.152 13.025 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.349 -12.458 13.572 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.502 -10.468 9.733 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.542 -9.835 12.666 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.170 -8.384 9.597 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.196 -8.063 11.058 1.00 0.00 H new ATOM 1705 N VAL B 3 90.527 -12.729 8.474 1.00 0.00 N ATOM 1706 CA VAL B 3 91.759 -12.620 7.650 1.00 0.00 C ATOM 1707 C VAL B 3 92.465 -11.314 8.023 1.00 0.00 C ATOM 1708 O VAL B 3 91.832 -10.298 8.229 1.00 0.00 O ATOM 1709 CB VAL B 3 91.390 -12.628 6.163 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.226 -11.675 5.927 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.595 -12.185 5.324 1.00 0.00 C ATOM 0 H VAL B 3 90.149 -11.838 8.797 1.00 0.00 H new ATOM 0 HA VAL B 3 92.422 -13.464 7.838 1.00 0.00 H new ATOM 0 HB VAL B 3 91.102 -13.637 5.868 1.00 0.00 H new ATOM 0 HG11 VAL B 3 89.961 -11.679 4.870 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.368 -11.996 6.517 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.515 -10.667 6.225 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.326 -12.193 4.268 1.00 0.00 H new ATOM 0 HG22 VAL B 3 92.891 -11.177 5.616 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.426 -12.870 5.492 1.00 0.00 H new ATOM 1745 N SER B 5 96.411 -8.835 7.679 1.00 0.00 N ATOM 1746 CA SER B 5 97.393 -8.393 6.647 1.00 0.00 C ATOM 1747 C SER B 5 98.721 -8.067 7.354 1.00 0.00 C ATOM 1748 O SER B 5 98.733 -7.874 8.554 1.00 0.00 O ATOM 1749 CB SER B 5 96.846 -7.138 5.940 1.00 0.00 C ATOM 1750 OG SER B 5 97.672 -6.016 6.234 1.00 0.00 O ATOM 0 HA SER B 5 97.554 -9.175 5.905 1.00 0.00 H new ATOM 0 HB2 SER B 5 96.812 -7.303 4.863 1.00 0.00 H new ATOM 0 HB3 SER B 5 95.824 -6.943 6.265 1.00 0.00 H new ATOM 0 HG SER B 5 97.442 -5.664 7.119 1.00 0.00 H new ATOM 1756 N PRO B 6 99.803 -8.002 6.607 1.00 0.00 N ATOM 1757 CA PRO B 6 101.117 -7.685 7.196 1.00 0.00 C ATOM 1758 C PRO B 6 101.071 -6.275 7.808 1.00 0.00 C ATOM 1759 O PRO B 6 100.759 -6.108 8.971 1.00 0.00 O ATOM 1760 CB PRO B 6 102.112 -7.769 6.013 1.00 0.00 C ATOM 1761 CG PRO B 6 101.268 -7.932 4.716 1.00 0.00 C ATOM 1762 CD PRO B 6 99.816 -8.231 5.146 1.00 0.00 C ATOM 0 HA PRO B 6 101.409 -8.363 7.998 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.727 -6.870 5.962 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.791 -8.613 6.140 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.311 -7.025 4.113 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.661 -8.742 4.101 1.00 0.00 H new ATOM 0 HD2 PRO B 6 99.109 -7.576 4.636 1.00 0.00 H new ATOM 0 HD3 PRO B 6 99.534 -9.255 4.903 1.00 0.00 H new ATOM 1770 N LEU B 7 101.367 -5.265 7.025 1.00 0.00 N ATOM 1771 CA LEU B 7 101.339 -3.859 7.530 1.00 0.00 C ATOM 1772 C LEU B 7 101.886 -3.791 8.960 1.00 0.00 C ATOM 1773 O LEU B 7 101.151 -3.887 9.923 1.00 0.00 O ATOM 1774 CB LEU B 7 99.899 -3.347 7.500 1.00 0.00 C ATOM 1775 CG LEU B 7 99.478 -3.053 6.049 1.00 0.00 C ATOM 1776 CD1 LEU B 7 97.973 -2.765 6.011 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.258 -1.838 5.491 1.00 0.00 C ATOM 0 H LEU B 7 101.630 -5.359 6.044 1.00 0.00 H new ATOM 0 HA LEU B 7 101.967 -3.237 6.892 1.00 0.00 H new ATOM 0 HB2 LEU B 7 99.231 -4.088 7.939 1.00 0.00 H new ATOM 0 HB3 LEU B 7 99.812 -2.443 8.103 1.00 0.00 H new ATOM 0 HG LEU B 7 99.705 -3.921 5.430 1.00 0.00 H new ATOM 0 HD11 LEU B 7 97.668 -2.556 4.986 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.427 -3.632 6.382 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.752 -1.902 6.638 1.00 0.00 H new ATOM 0 HD21 LEU B 7 99.946 -1.646 4.464 1.00 0.00 H new ATOM 0 HD22 LEU B 7 100.051 -0.960 6.103 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.327 -2.051 5.512 1.00 0.00 H new