USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 624 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 64 ASN : amide:sc= 0.405 K(o=1.7,f=-2.7!) USER MOD Set 1.2: A 83 SER OG : rot -99:sc= 1.3 USER MOD Set 2.1: A 61 THR OG1 : rot 82:sc= 1.28 USER MOD Set 2.2: A 62 HIS : no HD1:sc= 0.96 K(o=2.2,f=-1.2) USER MOD Set 3.1: A 11 HIS : no HD1:sc= 0 X(o=-0.31,f=-0.34) USER MOD Set 3.2: A 85 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.59) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 162:sc= -0.0331 (180deg=-0.35) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= 1.27 (180deg=0.828) USER MOD Single : A 17 TYR OH : rot -161:sc= 0.654 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.0356 X(o=-0.036,f=-0.18) USER MOD Single : A 38 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-4.7!) USER MOD Single : A 39 MET CE :methyl -171:sc= 0 (180deg=-0.121) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 171:sc= -1.6 USER MOD Single : A 56 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.2) USER MOD Single : A 69 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.053) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 166:sc= -0.0342 (180deg=-0.26) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 140:sc= -0.65 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 -7.244 -5.207 -14.994 1.00 0.00 N ATOM 18 CA SER A 3 -5.955 -4.599 -15.262 1.00 0.00 C ATOM 19 C SER A 3 -6.068 -3.083 -15.190 1.00 0.00 C ATOM 20 O SER A 3 -7.135 -2.554 -14.866 1.00 0.00 O ATOM 21 CB SER A 3 -5.447 -5.034 -16.638 1.00 0.00 C ATOM 22 OG SER A 3 -4.060 -5.329 -16.604 1.00 0.00 O ATOM 0 HA SER A 3 -5.241 -4.930 -14.507 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.000 -5.912 -16.972 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.635 -4.244 -17.365 1.00 0.00 H new ATOM 0 HG SER A 3 -3.762 -5.606 -17.496 1.00 0.00 H new ATOM 28 N MET A 4 -4.967 -2.396 -15.485 1.00 0.00 N ATOM 29 CA MET A 4 -4.928 -0.936 -15.463 1.00 0.00 C ATOM 30 C MET A 4 -5.378 -0.399 -14.106 1.00 0.00 C ATOM 31 O MET A 4 -6.463 0.170 -13.974 1.00 0.00 O ATOM 32 CB MET A 4 -5.801 -0.357 -16.581 1.00 0.00 C ATOM 33 CG MET A 4 -5.501 1.100 -16.902 1.00 0.00 C ATOM 34 SD MET A 4 -6.672 1.804 -18.078 1.00 0.00 S ATOM 35 CE MET A 4 -8.135 1.938 -17.051 1.00 0.00 C ATOM 0 H MET A 4 -4.082 -2.832 -15.744 1.00 0.00 H new ATOM 0 HA MET A 4 -3.897 -0.624 -15.629 1.00 0.00 H new ATOM 0 HB2 MET A 4 -5.663 -0.954 -17.483 1.00 0.00 H new ATOM 0 HB3 MET A 4 -6.849 -0.448 -16.295 1.00 0.00 H new ATOM 0 HG2 MET A 4 -5.521 1.683 -15.981 1.00 0.00 H new ATOM 0 HG3 MET A 4 -4.492 1.179 -17.307 1.00 0.00 H new ATOM 0 HE1 MET A 4 -8.839 2.632 -17.510 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.602 0.958 -16.954 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.854 2.305 -16.064 1.00 0.00 H new ATOM 45 N ARG A 5 -4.545 -0.601 -13.098 1.00 0.00 N ATOM 46 CA ARG A 5 -4.856 -0.139 -11.753 1.00 0.00 C ATOM 47 C ARG A 5 -4.767 1.381 -11.708 1.00 0.00 C ATOM 48 O ARG A 5 -3.796 1.955 -12.201 1.00 0.00 O ATOM 49 CB ARG A 5 -3.903 -0.764 -10.730 1.00 0.00 C ATOM 50 CG ARG A 5 -4.114 -2.259 -10.527 1.00 0.00 C ATOM 51 CD ARG A 5 -3.414 -3.073 -11.603 1.00 0.00 C ATOM 52 NE ARG A 5 -3.716 -4.499 -11.512 1.00 0.00 N ATOM 53 CZ ARG A 5 -3.270 -5.408 -12.377 1.00 0.00 C ATOM 54 NH1 ARG A 5 -2.536 -5.036 -13.417 1.00 0.00 N ATOM 55 NH2 ARG A 5 -3.568 -6.689 -12.206 1.00 0.00 N ATOM 0 H ARG A 5 -3.649 -1.081 -13.184 1.00 0.00 H new ATOM 0 HA ARG A 5 -5.869 -0.448 -11.496 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.876 -0.592 -11.052 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.027 -0.256 -9.774 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -3.738 -2.551 -9.546 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.181 -2.481 -10.538 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.712 -2.704 -12.584 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.337 -2.927 -11.521 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.303 -4.817 -10.741 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.311 -4.051 -13.556 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.196 -5.735 -14.077 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.139 -6.978 -11.412 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.226 -7.385 -12.869 1.00 0.00 H new ATOM 69 N PRO A 6 -5.768 2.064 -11.131 1.00 0.00 N ATOM 70 CA PRO A 6 -5.798 3.525 -11.065 1.00 0.00 C ATOM 71 C PRO A 6 -5.073 4.086 -9.843 1.00 0.00 C ATOM 72 O PRO A 6 -5.542 3.926 -8.713 1.00 0.00 O ATOM 73 CB PRO A 6 -7.306 3.835 -10.971 1.00 0.00 C ATOM 74 CG PRO A 6 -7.995 2.502 -10.904 1.00 0.00 C ATOM 75 CD PRO A 6 -6.960 1.516 -10.480 1.00 0.00 C ATOM 0 HA PRO A 6 -5.293 3.976 -11.919 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.528 4.434 -10.088 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.642 4.406 -11.836 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.822 2.527 -10.194 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.415 2.232 -11.873 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.854 1.470 -9.396 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.188 0.506 -10.821 1.00 0.00 H new ATOM 83 N PRO A 7 -3.909 4.735 -10.038 1.00 0.00 N ATOM 84 CA PRO A 7 -3.159 5.330 -8.940 1.00 0.00 C ATOM 85 C PRO A 7 -3.863 6.532 -8.347 1.00 0.00 C ATOM 86 O PRO A 7 -4.198 7.488 -9.046 1.00 0.00 O ATOM 87 CB PRO A 7 -1.840 5.776 -9.562 1.00 0.00 C ATOM 88 CG PRO A 7 -1.787 5.131 -10.901 1.00 0.00 C ATOM 89 CD PRO A 7 -3.220 4.921 -11.322 1.00 0.00 C ATOM 0 HA PRO A 7 -3.038 4.614 -8.127 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.795 6.862 -9.649 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.994 5.470 -8.947 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.259 5.762 -11.617 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.251 4.183 -10.856 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.611 5.778 -11.871 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.329 4.051 -11.970 1.00 0.00 H new ATOM 97 N ILE A 8 -4.088 6.466 -7.059 1.00 0.00 N ATOM 98 CA ILE A 8 -4.723 7.535 -6.337 1.00 0.00 C ATOM 99 C ILE A 8 -3.662 8.505 -5.871 1.00 0.00 C ATOM 100 O ILE A 8 -2.852 8.188 -5.007 1.00 0.00 O ATOM 101 CB ILE A 8 -5.502 6.984 -5.138 1.00 0.00 C ATOM 102 CG1 ILE A 8 -6.129 5.651 -5.511 1.00 0.00 C ATOM 103 CG2 ILE A 8 -6.579 7.952 -4.723 1.00 0.00 C ATOM 104 CD1 ILE A 8 -6.439 4.775 -4.328 1.00 0.00 C ATOM 0 H ILE A 8 -3.834 5.665 -6.481 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.429 8.047 -6.991 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.815 6.845 -4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.049 5.835 -6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.454 5.117 -6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.124 7.547 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.126 8.903 -4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.268 8.107 -5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.884 3.842 -4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.519 4.559 -3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.139 5.288 -3.668 1.00 0.00 H new ATOM 116 N ILE A 9 -3.638 9.672 -6.468 1.00 0.00 N ATOM 117 CA ILE A 9 -2.642 10.657 -6.117 1.00 0.00 C ATOM 118 C ILE A 9 -2.965 11.332 -4.794 1.00 0.00 C ATOM 119 O ILE A 9 -3.810 12.231 -4.740 1.00 0.00 O ATOM 120 CB ILE A 9 -2.491 11.752 -7.193 1.00 0.00 C ATOM 121 CG1 ILE A 9 -2.638 11.176 -8.608 1.00 0.00 C ATOM 122 CG2 ILE A 9 -1.145 12.448 -7.036 1.00 0.00 C ATOM 123 CD1 ILE A 9 -1.479 10.314 -9.053 1.00 0.00 C ATOM 0 H ILE A 9 -4.292 9.962 -7.195 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.704 10.107 -6.035 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.290 12.480 -7.052 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.553 10.586 -8.654 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.754 12.000 -9.312 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.044 13.220 -7.798 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.084 12.904 -6.048 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.343 11.719 -7.149 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.664 9.948 -10.063 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.562 10.904 -9.043 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.373 9.468 -8.374 1.00 0.00 H new ATOM 135 N ILE A 10 -2.309 10.889 -3.726 1.00 0.00 N ATOM 136 CA ILE A 10 -2.499 11.511 -2.428 1.00 0.00 C ATOM 137 C ILE A 10 -1.721 12.813 -2.441 1.00 0.00 C ATOM 138 O ILE A 10 -0.812 12.976 -3.245 1.00 0.00 O ATOM 139 CB ILE A 10 -1.958 10.667 -1.233 1.00 0.00 C ATOM 140 CG1 ILE A 10 -2.520 9.259 -1.187 1.00 0.00 C ATOM 141 CG2 ILE A 10 -2.287 11.341 0.085 1.00 0.00 C ATOM 142 CD1 ILE A 10 -1.476 8.219 -0.889 1.00 0.00 C ATOM 0 H ILE A 10 -1.650 10.111 -3.736 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.572 11.631 -2.280 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.881 10.601 -1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.301 9.210 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.990 9.030 -2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.902 10.738 0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.828 12.329 0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.368 11.441 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.940 7.233 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.707 8.243 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.023 8.426 0.080 1.00 0.00 H new ATOM 154 N HIS A 11 -2.061 13.718 -1.560 1.00 0.00 N ATOM 155 CA HIS A 11 -1.367 14.973 -1.462 1.00 0.00 C ATOM 156 C HIS A 11 -1.177 15.281 0.007 1.00 0.00 C ATOM 157 O HIS A 11 -2.144 15.534 0.729 1.00 0.00 O ATOM 158 CB HIS A 11 -2.145 16.096 -2.160 1.00 0.00 C ATOM 159 CG HIS A 11 -1.487 17.438 -2.046 1.00 0.00 C ATOM 160 ND1 HIS A 11 -2.181 18.540 -1.616 1.00 0.00 N ATOM 161 CD2 HIS A 11 -0.204 17.794 -2.298 1.00 0.00 C ATOM 162 CE1 HIS A 11 -1.313 19.536 -1.610 1.00 0.00 C ATOM 163 NE2 HIS A 11 -0.100 19.133 -2.014 1.00 0.00 N ATOM 0 H HIS A 11 -2.824 13.605 -0.893 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.401 14.903 -1.962 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.262 15.846 -3.214 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.146 16.153 -1.733 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.585 17.148 -2.654 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.551 20.548 -1.316 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.738 19.709 -2.095 1.00 0.00 H new ATOM 171 N ARG A 12 0.061 15.198 0.456 1.00 0.00 N ATOM 172 CA ARG A 12 0.380 15.453 1.842 1.00 0.00 C ATOM 173 C ARG A 12 0.066 16.899 2.207 1.00 0.00 C ATOM 174 O ARG A 12 0.793 17.816 1.833 1.00 0.00 O ATOM 175 CB ARG A 12 1.852 15.147 2.096 1.00 0.00 C ATOM 176 CG ARG A 12 2.255 15.261 3.549 1.00 0.00 C ATOM 177 CD ARG A 12 3.679 14.796 3.747 1.00 0.00 C ATOM 178 NE ARG A 12 4.115 14.952 5.136 1.00 0.00 N ATOM 179 CZ ARG A 12 5.345 15.319 5.500 1.00 0.00 C ATOM 180 NH1 ARG A 12 6.286 15.528 4.585 1.00 0.00 N ATOM 181 NH2 ARG A 12 5.639 15.461 6.786 1.00 0.00 N ATOM 0 H ARG A 12 0.864 14.955 -0.125 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.231 14.804 2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.070 14.138 1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.463 15.829 1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.156 16.295 3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.583 14.664 4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.763 13.749 3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.341 15.363 3.093 1.00 0.00 H new ATOM 0 HE ARG A 12 3.434 14.768 5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.071 15.408 3.595 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.224 15.808 4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.925 15.290 7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.579 15.741 7.066 1.00 0.00 H new ATOM 195 N ALA A 13 -1.030 17.094 2.924 1.00 0.00 N ATOM 196 CA ALA A 13 -1.448 18.422 3.348 1.00 0.00 C ATOM 197 C ALA A 13 -0.645 18.873 4.565 1.00 0.00 C ATOM 198 O ALA A 13 -1.207 19.296 5.573 1.00 0.00 O ATOM 199 CB ALA A 13 -2.938 18.420 3.662 1.00 0.00 C ATOM 0 H ALA A 13 -1.651 16.343 3.227 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.260 19.126 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.244 19.417 3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.497 18.134 2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.140 17.707 4.461 1.00 0.00 H new ATOM 205 N GLY A 14 0.676 18.758 4.470 1.00 0.00 N ATOM 206 CA GLY A 14 1.544 19.138 5.566 1.00 0.00 C ATOM 207 C GLY A 14 1.696 18.031 6.589 1.00 0.00 C ATOM 208 O GLY A 14 2.778 17.827 7.139 1.00 0.00 O ATOM 0 H GLY A 14 1.162 18.405 3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.525 19.405 5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.143 20.027 6.053 1.00 0.00 H new ATOM 212 N LYS A 15 0.611 17.314 6.844 1.00 0.00 N ATOM 213 CA LYS A 15 0.624 16.226 7.808 1.00 0.00 C ATOM 214 C LYS A 15 1.127 14.924 7.185 1.00 0.00 C ATOM 215 O LYS A 15 2.324 14.635 7.220 1.00 0.00 O ATOM 216 CB LYS A 15 -0.768 16.032 8.422 1.00 0.00 C ATOM 217 CG LYS A 15 -1.920 16.420 7.502 1.00 0.00 C ATOM 218 CD LYS A 15 -3.267 16.091 8.124 1.00 0.00 C ATOM 219 CE LYS A 15 -3.529 16.922 9.370 1.00 0.00 C ATOM 220 NZ LYS A 15 -4.865 16.642 9.965 1.00 0.00 N ATOM 0 H LYS A 15 -0.292 17.468 6.395 1.00 0.00 H new ATOM 0 HA LYS A 15 1.320 16.498 8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.883 14.987 8.708 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.834 16.622 9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.870 17.487 7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.820 15.896 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.058 16.269 7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.301 15.032 8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.754 16.718 10.109 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.460 17.981 9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.998 17.231 10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.607 16.861 9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.924 15.638 10.230 1.00 0.00 H new ATOM 234 N LYS A 16 0.229 14.159 6.574 1.00 0.00 N ATOM 235 CA LYS A 16 0.608 12.881 5.975 1.00 0.00 C ATOM 236 C LYS A 16 -0.347 12.488 4.854 1.00 0.00 C ATOM 237 O LYS A 16 -1.216 13.272 4.473 1.00 0.00 O ATOM 238 CB LYS A 16 0.616 11.795 7.052 1.00 0.00 C ATOM 239 CG LYS A 16 -0.545 11.887 8.030 1.00 0.00 C ATOM 240 CD LYS A 16 -0.385 10.903 9.172 1.00 0.00 C ATOM 241 CE LYS A 16 -0.882 11.480 10.488 1.00 0.00 C ATOM 242 NZ LYS A 16 -2.352 11.692 10.488 1.00 0.00 N ATOM 0 H LYS A 16 -0.758 14.397 6.480 1.00 0.00 H new ATOM 0 HA LYS A 16 1.605 12.987 5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.595 10.818 6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.552 11.855 7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.609 12.900 8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.480 11.690 7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.935 9.990 8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.665 10.627 9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.614 10.807 11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.380 12.428 10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.679 11.857 11.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.584 12.518 9.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.824 10.850 10.102 1.00 0.00 H new ATOM 256 N TYR A 17 -0.163 11.281 4.313 1.00 0.00 N ATOM 257 CA TYR A 17 -1.016 10.769 3.245 1.00 0.00 C ATOM 258 C TYR A 17 -2.222 10.060 3.842 1.00 0.00 C ATOM 259 O TYR A 17 -3.060 9.528 3.125 1.00 0.00 O ATOM 260 CB TYR A 17 -0.237 9.848 2.306 1.00 0.00 C ATOM 261 CG TYR A 17 1.087 10.449 1.884 1.00 0.00 C ATOM 262 CD1 TYR A 17 2.231 10.269 2.652 1.00 0.00 C ATOM 263 CD2 TYR A 17 1.192 11.201 0.722 1.00 0.00 C ATOM 264 CE1 TYR A 17 3.436 10.826 2.278 1.00 0.00 C ATOM 265 CE2 TYR A 17 2.395 11.760 0.338 1.00 0.00 C ATOM 266 CZ TYR A 17 3.515 11.566 1.119 1.00 0.00 C ATOM 267 OH TYR A 17 4.719 12.108 0.744 1.00 0.00 O ATOM 0 H TYR A 17 0.575 10.639 4.602 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.369 11.610 2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.059 8.893 2.801 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.839 9.641 1.421 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.176 9.683 3.557 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.317 11.352 0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.314 10.683 2.891 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.458 12.345 -0.568 1.00 0.00 H new ATOM 0 HH TYR A 17 4.566 12.835 0.105 1.00 0.00 H new ATOM 277 N GLY A 18 -2.283 10.073 5.166 1.00 0.00 N ATOM 278 CA GLY A 18 -3.392 9.507 5.903 1.00 0.00 C ATOM 279 C GLY A 18 -3.771 8.081 5.573 1.00 0.00 C ATOM 280 O GLY A 18 -4.925 7.816 5.280 1.00 0.00 O ATOM 0 H GLY A 18 -1.558 10.480 5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.156 9.559 6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.266 10.138 5.740 1.00 0.00 H new ATOM 284 N PHE A 19 -2.825 7.173 5.621 1.00 0.00 N ATOM 285 CA PHE A 19 -3.126 5.750 5.403 1.00 0.00 C ATOM 286 C PHE A 19 -1.995 4.829 5.838 1.00 0.00 C ATOM 287 O PHE A 19 -0.815 5.138 5.722 1.00 0.00 O ATOM 288 CB PHE A 19 -3.515 5.441 3.956 1.00 0.00 C ATOM 289 CG PHE A 19 -2.358 5.344 3.008 1.00 0.00 C ATOM 290 CD1 PHE A 19 -1.656 6.470 2.620 1.00 0.00 C ATOM 291 CD2 PHE A 19 -1.972 4.111 2.510 1.00 0.00 C ATOM 292 CE1 PHE A 19 -0.587 6.367 1.750 1.00 0.00 C ATOM 293 CE2 PHE A 19 -0.906 4.002 1.644 1.00 0.00 C ATOM 294 CZ PHE A 19 -0.213 5.132 1.261 1.00 0.00 C ATOM 0 H PHE A 19 -1.843 7.377 5.807 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.988 5.550 6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.066 4.501 3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.194 6.217 3.602 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.945 7.439 3.000 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.513 3.224 2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.045 7.253 1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.613 3.034 1.266 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.621 5.050 0.580 1.00 0.00 H new ATOM 304 N THR A 20 -2.415 3.686 6.346 1.00 0.00 N ATOM 305 CA THR A 20 -1.516 2.646 6.860 1.00 0.00 C ATOM 306 C THR A 20 -1.122 1.613 5.791 1.00 0.00 C ATOM 307 O THR A 20 -1.981 0.891 5.283 1.00 0.00 O ATOM 308 CB THR A 20 -2.194 1.919 8.047 1.00 0.00 C ATOM 309 OG1 THR A 20 -2.487 2.861 9.083 1.00 0.00 O ATOM 310 CG2 THR A 20 -1.327 0.795 8.608 1.00 0.00 C ATOM 0 H THR A 20 -3.403 3.441 6.419 1.00 0.00 H new ATOM 0 HA THR A 20 -0.601 3.144 7.181 1.00 0.00 H new ATOM 0 HB THR A 20 -3.114 1.469 7.674 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.918 2.399 9.833 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.845 0.315 9.438 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.135 0.059 7.827 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.381 1.206 8.960 1.00 0.00 H new ATOM 318 N LEU A 21 0.172 1.546 5.451 1.00 0.00 N ATOM 319 CA LEU A 21 0.652 0.572 4.466 1.00 0.00 C ATOM 320 C LEU A 21 1.059 -0.725 5.164 1.00 0.00 C ATOM 321 O LEU A 21 2.228 -0.937 5.476 1.00 0.00 O ATOM 322 CB LEU A 21 1.832 1.117 3.636 1.00 0.00 C ATOM 323 CG LEU A 21 1.831 0.730 2.155 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.476 0.193 1.714 1.00 0.00 C ATOM 325 CD2 LEU A 21 2.223 1.927 1.316 1.00 0.00 C ATOM 0 H LEU A 21 0.897 2.149 5.840 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.169 0.375 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.833 2.205 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.761 0.766 4.084 1.00 0.00 H new ATOM 0 HG LEU A 21 2.559 -0.069 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.516 -0.071 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.227 -0.692 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.286 0.957 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.222 1.649 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.510 2.735 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.221 2.261 1.602 1.00 0.00 H new ATOM 337 N ARG A 22 0.072 -1.563 5.444 1.00 0.00 N ATOM 338 CA ARG A 22 0.305 -2.840 6.111 1.00 0.00 C ATOM 339 C ARG A 22 1.030 -3.823 5.194 1.00 0.00 C ATOM 340 O ARG A 22 0.558 -4.101 4.092 1.00 0.00 O ATOM 341 CB ARG A 22 -1.026 -3.457 6.528 1.00 0.00 C ATOM 342 CG ARG A 22 -0.961 -4.254 7.816 1.00 0.00 C ATOM 343 CD ARG A 22 -1.027 -3.342 9.025 1.00 0.00 C ATOM 344 NE ARG A 22 -1.294 -4.085 10.252 1.00 0.00 N ATOM 345 CZ ARG A 22 -1.423 -3.523 11.449 1.00 0.00 C ATOM 346 NH1 ARG A 22 -1.294 -2.208 11.590 1.00 0.00 N ATOM 347 NH2 ARG A 22 -1.685 -4.275 12.507 1.00 0.00 N ATOM 0 H ARG A 22 -0.906 -1.381 5.218 1.00 0.00 H new ATOM 0 HA ARG A 22 0.927 -2.647 6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.763 -2.662 6.642 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.379 -4.107 5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.785 -4.967 7.849 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.038 -4.833 7.843 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.085 -2.802 9.125 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.807 -2.596 8.875 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.387 -5.099 10.187 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.095 -1.625 10.777 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.394 -1.782 12.511 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.788 -5.284 12.402 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.784 -3.845 13.427 1.00 0.00 H new ATOM 561 N VAL A 36 5.859 -10.356 -1.505 1.00 0.00 N ATOM 562 CA VAL A 36 5.786 -9.303 -0.511 1.00 0.00 C ATOM 563 C VAL A 36 4.897 -8.173 -1.012 1.00 0.00 C ATOM 564 O VAL A 36 5.339 -7.317 -1.780 1.00 0.00 O ATOM 565 CB VAL A 36 7.179 -8.753 -0.146 1.00 0.00 C ATOM 566 CG1 VAL A 36 7.117 -7.954 1.145 1.00 0.00 C ATOM 567 CG2 VAL A 36 8.187 -9.885 -0.028 1.00 0.00 C ATOM 0 HA VAL A 36 5.356 -9.736 0.392 1.00 0.00 H new ATOM 0 HB VAL A 36 7.505 -8.087 -0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.110 -7.574 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.428 -7.118 1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.768 -8.596 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.164 -9.477 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.866 -10.578 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.254 -10.413 -0.979 1.00 0.00 H new ATOM 577 N HIS A 37 3.637 -8.206 -0.599 1.00 0.00 N ATOM 578 CA HIS A 37 2.667 -7.195 -0.996 1.00 0.00 C ATOM 579 C HIS A 37 2.311 -6.327 0.197 1.00 0.00 C ATOM 580 O HIS A 37 2.873 -6.492 1.283 1.00 0.00 O ATOM 581 CB HIS A 37 1.393 -7.844 -1.555 1.00 0.00 C ATOM 582 CG HIS A 37 1.581 -8.555 -2.862 1.00 0.00 C ATOM 583 ND1 HIS A 37 2.523 -8.148 -3.776 1.00 0.00 N ATOM 584 CD2 HIS A 37 0.923 -9.631 -3.358 1.00 0.00 C ATOM 585 CE1 HIS A 37 2.417 -8.979 -4.796 1.00 0.00 C ATOM 586 NE2 HIS A 37 1.461 -9.892 -4.588 1.00 0.00 N ATOM 0 H HIS A 37 3.261 -8.928 0.016 1.00 0.00 H new ATOM 0 HA HIS A 37 3.115 -6.582 -1.778 1.00 0.00 H new ATOM 0 HB2 HIS A 37 1.010 -8.553 -0.822 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.633 -7.073 -1.681 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.127 -10.177 -2.875 1.00 0.00 H new ATOM 0 HE1 HIS A 37 3.026 -8.928 -5.687 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.186 -10.640 -5.225 1.00 0.00 H new ATOM 594 N HIS A 38 1.340 -5.441 0.008 1.00 0.00 N ATOM 595 CA HIS A 38 0.904 -4.538 1.062 1.00 0.00 C ATOM 596 C HIS A 38 -0.571 -4.219 0.876 1.00 0.00 C ATOM 597 O HIS A 38 -1.139 -4.463 -0.189 1.00 0.00 O ATOM 598 CB HIS A 38 1.709 -3.228 1.044 1.00 0.00 C ATOM 599 CG HIS A 38 3.188 -3.408 1.203 1.00 0.00 C ATOM 600 ND1 HIS A 38 3.753 -3.653 2.424 1.00 0.00 N ATOM 601 CD2 HIS A 38 4.156 -3.408 0.262 1.00 0.00 C ATOM 602 CE1 HIS A 38 5.043 -3.804 2.202 1.00 0.00 C ATOM 603 NE2 HIS A 38 5.339 -3.665 0.905 1.00 0.00 N ATOM 0 H HIS A 38 0.838 -5.330 -0.873 1.00 0.00 H new ATOM 0 HA HIS A 38 1.068 -5.030 2.021 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.517 -2.711 0.104 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.346 -2.582 1.843 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.024 -3.238 -0.796 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.771 -4.014 2.972 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.263 -3.736 0.479 1.00 0.00 H new ATOM 611 N MET A 39 -1.180 -3.644 1.898 1.00 0.00 N ATOM 612 CA MET A 39 -2.594 -3.304 1.856 1.00 0.00 C ATOM 613 C MET A 39 -2.872 -2.137 2.784 1.00 0.00 C ATOM 614 O MET A 39 -2.319 -2.067 3.884 1.00 0.00 O ATOM 615 CB MET A 39 -3.449 -4.503 2.293 1.00 0.00 C ATOM 616 CG MET A 39 -4.928 -4.336 1.987 1.00 0.00 C ATOM 617 SD MET A 39 -5.948 -5.634 2.716 1.00 0.00 S ATOM 618 CE MET A 39 -5.419 -7.060 1.765 1.00 0.00 C ATOM 0 H MET A 39 -0.715 -3.401 2.773 1.00 0.00 H new ATOM 0 HA MET A 39 -2.851 -3.033 0.832 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.082 -5.401 1.796 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.323 -4.658 3.365 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.263 -3.367 2.357 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.072 -4.332 0.907 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.069 -7.906 1.986 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.474 -6.829 0.701 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.392 -7.313 2.029 1.00 0.00 H new ATOM 628 N VAL A 40 -3.697 -1.201 2.332 1.00 0.00 N ATOM 629 CA VAL A 40 -4.044 -0.060 3.154 1.00 0.00 C ATOM 630 C VAL A 40 -4.961 -0.523 4.277 1.00 0.00 C ATOM 631 O VAL A 40 -6.153 -0.782 4.084 1.00 0.00 O ATOM 632 CB VAL A 40 -4.684 1.089 2.345 1.00 0.00 C ATOM 633 CG1 VAL A 40 -5.806 0.585 1.458 1.00 0.00 C ATOM 634 CG2 VAL A 40 -5.177 2.180 3.281 1.00 0.00 C ATOM 0 H VAL A 40 -4.132 -1.213 1.409 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.125 0.351 3.572 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.920 1.511 1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.234 1.420 0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.413 -0.153 0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.578 0.125 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.626 2.984 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.921 1.766 3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.338 2.573 3.855 1.00 0.00 H new ATOM 644 N TRP A 41 -4.368 -0.649 5.445 1.00 0.00 N ATOM 645 CA TRP A 41 -5.062 -1.121 6.624 1.00 0.00 C ATOM 646 C TRP A 41 -6.066 -0.116 7.122 1.00 0.00 C ATOM 647 O TRP A 41 -7.175 -0.466 7.515 1.00 0.00 O ATOM 648 CB TRP A 41 -4.058 -1.414 7.719 1.00 0.00 C ATOM 649 CG TRP A 41 -4.469 -2.558 8.570 1.00 0.00 C ATOM 650 CD1 TRP A 41 -4.493 -2.589 9.924 1.00 0.00 C ATOM 651 CD2 TRP A 41 -4.941 -3.831 8.120 1.00 0.00 C ATOM 652 NE1 TRP A 41 -4.937 -3.809 10.356 1.00 0.00 N ATOM 653 CE2 TRP A 41 -5.225 -4.593 9.264 1.00 0.00 C ATOM 654 CE3 TRP A 41 -5.149 -4.399 6.856 1.00 0.00 C ATOM 655 CZ2 TRP A 41 -5.709 -5.898 9.183 1.00 0.00 C ATOM 656 CZ3 TRP A 41 -5.629 -5.687 6.776 1.00 0.00 C ATOM 657 CH2 TRP A 41 -5.906 -6.426 7.937 1.00 0.00 C ATOM 0 H TRP A 41 -3.386 -0.426 5.604 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.601 -2.029 6.353 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.088 -1.628 7.271 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.934 -0.528 8.341 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -4.204 -1.771 10.568 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -5.038 -4.091 11.331 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.936 -3.836 5.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.921 -6.472 10.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.795 -6.135 5.807 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.283 -7.434 7.844 1.00 0.00 H new ATOM 668 N HIS A 42 -5.669 1.131 7.094 1.00 0.00 N ATOM 669 CA HIS A 42 -6.528 2.204 7.552 1.00 0.00 C ATOM 670 C HIS A 42 -6.147 3.493 6.879 1.00 0.00 C ATOM 671 O HIS A 42 -4.983 3.876 6.878 1.00 0.00 O ATOM 672 CB HIS A 42 -6.395 2.378 9.058 1.00 0.00 C ATOM 673 CG HIS A 42 -7.666 2.799 9.727 1.00 0.00 C ATOM 674 ND1 HIS A 42 -8.412 1.917 10.468 1.00 0.00 N ATOM 675 CD2 HIS A 42 -8.283 4.006 9.725 1.00 0.00 C ATOM 676 CE1 HIS A 42 -9.461 2.599 10.896 1.00 0.00 C ATOM 677 NE2 HIS A 42 -9.425 3.867 10.471 1.00 0.00 N ATOM 0 H HIS A 42 -4.754 1.433 6.759 1.00 0.00 H new ATOM 0 HA HIS A 42 -7.558 1.949 7.303 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.058 1.438 9.496 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -5.623 3.120 9.263 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.941 4.904 9.231 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.247 2.185 11.510 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.116 4.592 10.665 1.00 0.00 H new ATOM 685 N VAL A 43 -7.124 4.146 6.299 1.00 0.00 N ATOM 686 CA VAL A 43 -6.884 5.398 5.623 1.00 0.00 C ATOM 687 C VAL A 43 -7.804 6.486 6.169 1.00 0.00 C ATOM 688 O VAL A 43 -9.024 6.328 6.245 1.00 0.00 O ATOM 689 CB VAL A 43 -7.016 5.248 4.093 1.00 0.00 C ATOM 690 CG1 VAL A 43 -8.351 4.662 3.716 1.00 0.00 C ATOM 691 CG2 VAL A 43 -6.809 6.571 3.394 1.00 0.00 C ATOM 0 H VAL A 43 -8.094 3.831 6.281 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.856 5.701 5.822 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.235 4.561 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.414 4.569 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.458 3.678 4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.148 5.315 4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.908 6.433 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.557 7.285 3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.813 6.950 3.621 1.00 0.00 H new ATOM 701 N GLU A 44 -7.173 7.558 6.604 1.00 0.00 N ATOM 702 CA GLU A 44 -7.837 8.699 7.185 1.00 0.00 C ATOM 703 C GLU A 44 -8.662 9.471 6.166 1.00 0.00 C ATOM 704 O GLU A 44 -8.123 10.031 5.206 1.00 0.00 O ATOM 705 CB GLU A 44 -6.785 9.599 7.800 1.00 0.00 C ATOM 706 CG GLU A 44 -5.891 8.880 8.791 1.00 0.00 C ATOM 707 CD GLU A 44 -4.998 9.826 9.548 1.00 0.00 C ATOM 708 OE1 GLU A 44 -3.880 10.108 9.071 1.00 0.00 O ATOM 709 OE2 GLU A 44 -5.412 10.299 10.627 1.00 0.00 O ATOM 0 H GLU A 44 -6.159 7.659 6.560 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.535 8.345 7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.170 10.023 7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.277 10.432 8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.508 8.324 9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.278 8.151 8.261 1.00 0.00 H new ATOM 716 N ASP A 45 -9.964 9.531 6.407 1.00 0.00 N ATOM 717 CA ASP A 45 -10.894 10.232 5.529 1.00 0.00 C ATOM 718 C ASP A 45 -10.997 11.700 5.914 1.00 0.00 C ATOM 719 O ASP A 45 -12.043 12.330 5.756 1.00 0.00 O ATOM 720 CB ASP A 45 -12.274 9.568 5.570 1.00 0.00 C ATOM 721 CG ASP A 45 -12.856 9.487 6.968 1.00 0.00 C ATOM 722 OD1 ASP A 45 -12.165 8.980 7.881 1.00 0.00 O ATOM 723 OD2 ASP A 45 -14.012 9.913 7.157 1.00 0.00 O ATOM 0 H ASP A 45 -10.407 9.096 7.216 1.00 0.00 H new ATOM 0 HA ASP A 45 -10.512 10.173 4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -12.958 10.126 4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.199 8.563 5.156 1.00 0.00 H new ATOM 728 N GLY A 46 -9.895 12.243 6.400 1.00 0.00 N ATOM 729 CA GLY A 46 -9.868 13.631 6.802 1.00 0.00 C ATOM 730 C GLY A 46 -9.417 14.557 5.691 1.00 0.00 C ATOM 731 O GLY A 46 -9.736 15.744 5.702 1.00 0.00 O ATOM 0 H GLY A 46 -9.014 11.745 6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.863 13.927 7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.200 13.744 7.656 1.00 0.00 H new ATOM 735 N GLY A 47 -8.690 14.027 4.715 1.00 0.00 N ATOM 736 CA GLY A 47 -8.216 14.872 3.638 1.00 0.00 C ATOM 737 C GLY A 47 -7.296 14.172 2.654 1.00 0.00 C ATOM 738 O GLY A 47 -7.514 14.265 1.446 1.00 0.00 O ATOM 0 H GLY A 47 -8.424 13.044 4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.076 15.267 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.690 15.725 4.066 1.00 0.00 H new ATOM 742 N PRO A 48 -6.237 13.491 3.134 1.00 0.00 N ATOM 743 CA PRO A 48 -5.262 12.789 2.272 1.00 0.00 C ATOM 744 C PRO A 48 -5.821 11.659 1.383 1.00 0.00 C ATOM 745 O PRO A 48 -6.820 11.827 0.683 1.00 0.00 O ATOM 746 CB PRO A 48 -4.285 12.211 3.290 1.00 0.00 C ATOM 747 CG PRO A 48 -4.378 13.119 4.449 1.00 0.00 C ATOM 748 CD PRO A 48 -5.834 13.404 4.556 1.00 0.00 C ATOM 0 HA PRO A 48 -4.848 13.481 1.539 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.554 11.191 3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.271 12.178 2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.993 12.652 5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.802 14.031 4.291 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.367 12.613 5.083 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.030 14.332 5.093 1.00 0.00 H new ATOM 756 N ALA A 49 -5.139 10.507 1.433 1.00 0.00 N ATOM 757 CA ALA A 49 -5.454 9.329 0.622 1.00 0.00 C ATOM 758 C ALA A 49 -6.942 9.017 0.505 1.00 0.00 C ATOM 759 O ALA A 49 -7.425 8.770 -0.599 1.00 0.00 O ATOM 760 CB ALA A 49 -4.685 8.110 1.150 1.00 0.00 C ATOM 0 H ALA A 49 -4.339 10.368 2.050 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.133 9.569 -0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.924 7.238 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.614 8.305 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.970 7.920 2.185 1.00 0.00 H new ATOM 766 N SER A 50 -7.679 9.072 1.601 1.00 0.00 N ATOM 767 CA SER A 50 -9.099 8.734 1.560 1.00 0.00 C ATOM 768 C SER A 50 -9.888 9.665 0.655 1.00 0.00 C ATOM 769 O SER A 50 -10.524 9.221 -0.300 1.00 0.00 O ATOM 770 CB SER A 50 -9.690 8.764 2.954 1.00 0.00 C ATOM 771 OG SER A 50 -9.766 7.468 3.513 1.00 0.00 O ATOM 0 H SER A 50 -7.328 9.343 2.520 1.00 0.00 H new ATOM 0 HA SER A 50 -9.172 7.727 1.149 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.081 9.402 3.595 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.686 9.205 2.918 1.00 0.00 H new ATOM 0 HG SER A 50 -10.013 7.534 4.459 1.00 0.00 H new ATOM 777 N GLU A 51 -9.836 10.954 0.959 1.00 0.00 N ATOM 778 CA GLU A 51 -10.558 11.959 0.186 1.00 0.00 C ATOM 779 C GLU A 51 -10.064 11.993 -1.248 1.00 0.00 C ATOM 780 O GLU A 51 -10.776 12.417 -2.158 1.00 0.00 O ATOM 781 CB GLU A 51 -10.411 13.326 0.830 1.00 0.00 C ATOM 782 CG GLU A 51 -11.063 13.408 2.197 1.00 0.00 C ATOM 783 CD GLU A 51 -12.347 14.206 2.177 1.00 0.00 C ATOM 784 OE1 GLU A 51 -13.396 13.641 1.805 1.00 0.00 O ATOM 785 OE2 GLU A 51 -12.310 15.407 2.524 1.00 0.00 O ATOM 0 H GLU A 51 -9.299 11.332 1.739 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.614 11.690 0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.352 13.566 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.852 14.079 0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.270 12.401 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.367 13.863 2.902 1.00 0.00 H new ATOM 792 N ALA A 52 -8.829 11.556 -1.429 1.00 0.00 N ATOM 793 CA ALA A 52 -8.217 11.496 -2.743 1.00 0.00 C ATOM 794 C ALA A 52 -8.859 10.390 -3.575 1.00 0.00 C ATOM 795 O ALA A 52 -8.832 10.428 -4.806 1.00 0.00 O ATOM 796 CB ALA A 52 -6.723 11.266 -2.607 1.00 0.00 C ATOM 0 H ALA A 52 -8.226 11.234 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.378 12.445 -3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.270 11.222 -3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.279 12.085 -2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.546 10.326 -2.085 1.00 0.00 H new ATOM 802 N GLY A 53 -9.428 9.397 -2.894 1.00 0.00 N ATOM 803 CA GLY A 53 -10.083 8.306 -3.579 1.00 0.00 C ATOM 804 C GLY A 53 -9.748 6.953 -2.988 1.00 0.00 C ATOM 805 O GLY A 53 -10.397 5.957 -3.307 1.00 0.00 O ATOM 0 H GLY A 53 -9.444 9.333 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.162 8.456 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.795 8.319 -4.630 1.00 0.00 H new ATOM 809 N LEU A 54 -8.735 6.909 -2.135 1.00 0.00 N ATOM 810 CA LEU A 54 -8.318 5.657 -1.522 1.00 0.00 C ATOM 811 C LEU A 54 -9.347 5.137 -0.529 1.00 0.00 C ATOM 812 O LEU A 54 -9.645 5.772 0.486 1.00 0.00 O ATOM 813 CB LEU A 54 -6.958 5.800 -0.834 1.00 0.00 C ATOM 814 CG LEU A 54 -6.058 4.568 -0.923 1.00 0.00 C ATOM 815 CD1 LEU A 54 -4.713 4.831 -0.275 1.00 0.00 C ATOM 816 CD2 LEU A 54 -6.719 3.380 -0.275 1.00 0.00 C ATOM 0 H LEU A 54 -8.189 7.723 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.230 4.931 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.433 6.648 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.122 6.037 0.217 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.896 4.348 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.091 3.939 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.221 5.661 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.858 5.083 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.062 2.513 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.913 3.600 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.660 3.166 -0.781 1.00 0.00 H new ATOM 828 N ARG A 55 -9.896 3.982 -0.854 1.00 0.00 N ATOM 829 CA ARG A 55 -10.863 3.320 0.002 1.00 0.00 C ATOM 830 C ARG A 55 -10.160 2.249 0.837 1.00 0.00 C ATOM 831 O ARG A 55 -9.441 1.409 0.294 1.00 0.00 O ATOM 832 CB ARG A 55 -12.015 2.715 -0.817 1.00 0.00 C ATOM 833 CG ARG A 55 -11.578 1.924 -2.043 1.00 0.00 C ATOM 834 CD ARG A 55 -11.600 0.429 -1.779 1.00 0.00 C ATOM 835 NE ARG A 55 -12.917 -0.042 -1.356 1.00 0.00 N ATOM 836 CZ ARG A 55 -13.137 -1.239 -0.819 1.00 0.00 C ATOM 837 NH1 ARG A 55 -12.134 -2.093 -0.662 1.00 0.00 N ATOM 838 NH2 ARG A 55 -14.358 -1.585 -0.438 1.00 0.00 N ATOM 0 H ARG A 55 -9.686 3.478 -1.715 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.301 4.061 0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.599 2.061 -0.169 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.676 3.520 -1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.236 2.156 -2.880 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.573 2.228 -2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.300 -0.101 -2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.866 0.188 -1.010 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.714 0.583 -1.480 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.192 -1.832 -0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.305 -3.010 -0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.133 -0.933 -0.556 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.523 -2.504 -0.027 1.00 0.00 H new ATOM 852 N GLN A 56 -10.324 2.322 2.151 1.00 0.00 N ATOM 853 CA GLN A 56 -9.723 1.353 3.068 1.00 0.00 C ATOM 854 C GLN A 56 -10.034 -0.081 2.639 1.00 0.00 C ATOM 855 O GLN A 56 -11.139 -0.379 2.180 1.00 0.00 O ATOM 856 CB GLN A 56 -10.240 1.601 4.486 1.00 0.00 C ATOM 857 CG GLN A 56 -9.487 0.876 5.566 1.00 0.00 C ATOM 858 CD GLN A 56 -9.940 1.273 6.957 1.00 0.00 C ATOM 859 OE1 GLN A 56 -10.336 2.415 7.190 1.00 0.00 O ATOM 860 NE2 GLN A 56 -9.884 0.337 7.887 1.00 0.00 N ATOM 0 H GLN A 56 -10.873 3.048 2.612 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.641 1.482 3.046 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.201 2.671 4.690 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.288 1.306 4.532 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.619 -0.198 5.437 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.422 1.081 5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.549 -0.597 7.651 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.176 0.548 8.841 1.00 0.00 H new ATOM 869 N GLY A 57 -9.055 -0.965 2.794 1.00 0.00 N ATOM 870 CA GLY A 57 -9.242 -2.354 2.415 1.00 0.00 C ATOM 871 C GLY A 57 -8.940 -2.605 0.949 1.00 0.00 C ATOM 872 O GLY A 57 -9.623 -3.387 0.292 1.00 0.00 O ATOM 0 H GLY A 57 -8.135 -0.745 3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.597 -2.984 3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.270 -2.649 2.626 1.00 0.00 H new ATOM 876 N ASP A 58 -7.920 -1.935 0.436 1.00 0.00 N ATOM 877 CA ASP A 58 -7.521 -2.089 -0.959 1.00 0.00 C ATOM 878 C ASP A 58 -6.086 -2.577 -1.040 1.00 0.00 C ATOM 879 O ASP A 58 -5.239 -2.182 -0.233 1.00 0.00 O ATOM 880 CB ASP A 58 -7.663 -0.770 -1.716 1.00 0.00 C ATOM 881 CG ASP A 58 -8.072 -0.994 -3.153 1.00 0.00 C ATOM 882 OD1 ASP A 58 -7.309 -1.641 -3.893 1.00 0.00 O ATOM 883 OD2 ASP A 58 -9.168 -0.536 -3.543 1.00 0.00 O ATOM 0 H ASP A 58 -7.350 -1.276 0.966 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.179 -2.825 -1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.404 -0.143 -1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.717 -0.229 -1.687 1.00 0.00 H new ATOM 888 N LEU A 59 -5.821 -3.438 -2.004 1.00 0.00 N ATOM 889 CA LEU A 59 -4.493 -3.992 -2.192 1.00 0.00 C ATOM 890 C LEU A 59 -3.689 -3.103 -3.131 1.00 0.00 C ATOM 891 O LEU A 59 -4.147 -2.761 -4.220 1.00 0.00 O ATOM 892 CB LEU A 59 -4.589 -5.416 -2.749 1.00 0.00 C ATOM 893 CG LEU A 59 -3.280 -5.999 -3.283 1.00 0.00 C ATOM 894 CD1 LEU A 59 -2.402 -6.486 -2.139 1.00 0.00 C ATOM 895 CD2 LEU A 59 -3.558 -7.131 -4.260 1.00 0.00 C ATOM 0 H LEU A 59 -6.514 -3.771 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.984 -4.033 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.965 -6.071 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.326 -5.425 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.746 -5.210 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.476 -6.897 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.172 -5.652 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.929 -7.259 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.614 -7.533 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.115 -7.919 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.144 -6.753 -5.098 1.00 0.00 H new ATOM 907 N ILE A 60 -2.500 -2.722 -2.698 1.00 0.00 N ATOM 908 CA ILE A 60 -1.640 -1.867 -3.496 1.00 0.00 C ATOM 909 C ILE A 60 -0.810 -2.711 -4.451 1.00 0.00 C ATOM 910 O ILE A 60 -0.153 -3.666 -4.039 1.00 0.00 O ATOM 911 CB ILE A 60 -0.706 -0.998 -2.619 1.00 0.00 C ATOM 912 CG1 ILE A 60 -1.516 -0.017 -1.765 1.00 0.00 C ATOM 913 CG2 ILE A 60 0.276 -0.229 -3.495 1.00 0.00 C ATOM 914 CD1 ILE A 60 -2.143 -0.625 -0.529 1.00 0.00 C ATOM 0 H ILE A 60 -2.108 -2.992 -1.796 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.284 -1.193 -4.061 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.152 -1.661 -1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.865 0.802 -1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.305 0.415 -2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.927 0.378 -2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.879 -0.932 -4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.275 0.418 -4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.696 0.142 0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.824 -1.424 -0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.361 -1.031 0.113 1.00 0.00 H new ATOM 926 N THR A 61 -0.873 -2.372 -5.723 1.00 0.00 N ATOM 927 CA THR A 61 -0.137 -3.091 -6.738 1.00 0.00 C ATOM 928 C THR A 61 1.111 -2.316 -7.157 1.00 0.00 C ATOM 929 O THR A 61 2.192 -2.890 -7.325 1.00 0.00 O ATOM 930 CB THR A 61 -1.034 -3.351 -7.966 1.00 0.00 C ATOM 931 OG1 THR A 61 -1.341 -2.117 -8.628 1.00 0.00 O ATOM 932 CG2 THR A 61 -2.334 -4.020 -7.543 1.00 0.00 C ATOM 0 H THR A 61 -1.432 -1.596 -6.078 1.00 0.00 H new ATOM 0 HA THR A 61 0.176 -4.047 -6.317 1.00 0.00 H new ATOM 0 HB THR A 61 -0.492 -4.007 -8.647 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.595 -1.864 -9.211 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.955 -4.196 -8.421 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.113 -4.971 -7.058 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.866 -3.373 -6.846 1.00 0.00 H new ATOM 940 N HIS A 62 0.964 -1.003 -7.297 1.00 0.00 N ATOM 941 CA HIS A 62 2.066 -0.151 -7.724 1.00 0.00 C ATOM 942 C HIS A 62 2.093 1.149 -6.935 1.00 0.00 C ATOM 943 O HIS A 62 1.092 1.548 -6.344 1.00 0.00 O ATOM 944 CB HIS A 62 1.922 0.192 -9.212 1.00 0.00 C ATOM 945 CG HIS A 62 1.842 -0.998 -10.119 1.00 0.00 C ATOM 946 ND1 HIS A 62 0.636 -1.444 -10.611 1.00 0.00 N ATOM 947 CD2 HIS A 62 2.830 -1.794 -10.584 1.00 0.00 C ATOM 948 CE1 HIS A 62 0.920 -2.498 -11.362 1.00 0.00 C ATOM 949 NE2 HIS A 62 2.237 -2.744 -11.375 1.00 0.00 N ATOM 0 H HIS A 62 0.091 -0.506 -7.121 1.00 0.00 H new ATOM 0 HA HIS A 62 2.991 -0.700 -7.548 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.025 0.797 -9.347 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.770 0.807 -9.514 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.885 -1.700 -10.373 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.185 -3.083 -11.895 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.709 -3.495 -11.878 1.00 0.00 H new ATOM 957 N VAL A 63 3.239 1.807 -6.934 1.00 0.00 N ATOM 958 CA VAL A 63 3.387 3.081 -6.261 1.00 0.00 C ATOM 959 C VAL A 63 4.296 3.995 -7.074 1.00 0.00 C ATOM 960 O VAL A 63 5.460 3.683 -7.311 1.00 0.00 O ATOM 961 CB VAL A 63 3.918 2.930 -4.815 1.00 0.00 C ATOM 962 CG1 VAL A 63 5.295 2.286 -4.776 1.00 0.00 C ATOM 963 CG2 VAL A 63 3.930 4.280 -4.115 1.00 0.00 C ATOM 0 H VAL A 63 4.085 1.475 -7.396 1.00 0.00 H new ATOM 0 HA VAL A 63 2.396 3.528 -6.185 1.00 0.00 H new ATOM 0 HB VAL A 63 3.240 2.263 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.627 2.200 -3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.245 1.294 -5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.001 2.902 -5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.306 4.160 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.576 4.967 -4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.917 4.682 -4.082 1.00 0.00 H new ATOM 973 N ASN A 64 3.728 5.094 -7.554 1.00 0.00 N ATOM 974 CA ASN A 64 4.465 6.077 -8.353 1.00 0.00 C ATOM 975 C ASN A 64 5.102 5.434 -9.580 1.00 0.00 C ATOM 976 O ASN A 64 6.156 5.869 -10.043 1.00 0.00 O ATOM 977 CB ASN A 64 5.546 6.753 -7.508 1.00 0.00 C ATOM 978 CG ASN A 64 5.356 8.254 -7.427 1.00 0.00 C ATOM 979 OD1 ASN A 64 4.226 8.751 -7.431 1.00 0.00 O ATOM 980 ND2 ASN A 64 6.452 8.988 -7.351 1.00 0.00 N ATOM 0 H ASN A 64 2.748 5.333 -7.404 1.00 0.00 H new ATOM 0 HA ASN A 64 3.749 6.826 -8.690 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.534 6.333 -6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.526 6.535 -7.933 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.382 10.004 -7.293 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.368 8.539 -7.350 1.00 0.00 H new ATOM 987 N GLY A 65 4.455 4.401 -10.104 1.00 0.00 N ATOM 988 CA GLY A 65 4.981 3.713 -11.264 1.00 0.00 C ATOM 989 C GLY A 65 6.103 2.770 -10.901 1.00 0.00 C ATOM 990 O GLY A 65 7.109 2.678 -11.604 1.00 0.00 O ATOM 0 H GLY A 65 3.576 4.028 -9.746 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.180 3.154 -11.748 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.342 4.445 -11.987 1.00 0.00 H new ATOM 994 N GLU A 66 5.923 2.074 -9.794 1.00 0.00 N ATOM 995 CA GLU A 66 6.888 1.137 -9.304 1.00 0.00 C ATOM 996 C GLU A 66 6.182 0.054 -8.498 1.00 0.00 C ATOM 997 O GLU A 66 5.637 0.329 -7.428 1.00 0.00 O ATOM 998 CB GLU A 66 7.878 1.869 -8.415 1.00 0.00 C ATOM 999 CG GLU A 66 9.288 1.300 -8.456 1.00 0.00 C ATOM 1000 CD GLU A 66 9.809 1.124 -9.867 1.00 0.00 C ATOM 1001 OE1 GLU A 66 9.398 0.155 -10.542 1.00 0.00 O ATOM 1002 OE2 GLU A 66 10.641 1.947 -10.305 1.00 0.00 O ATOM 0 H GLU A 66 5.090 2.152 -9.211 1.00 0.00 H new ATOM 0 HA GLU A 66 7.414 0.676 -10.140 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.912 2.917 -8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.516 1.841 -7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.958 1.961 -7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.301 0.337 -7.946 1.00 0.00 H new ATOM 1009 N PRO A 67 6.110 -1.164 -9.051 1.00 0.00 N ATOM 1010 CA PRO A 67 5.504 -2.308 -8.398 1.00 0.00 C ATOM 1011 C PRO A 67 6.010 -2.456 -6.981 1.00 0.00 C ATOM 1012 O PRO A 67 7.209 -2.374 -6.706 1.00 0.00 O ATOM 1013 CB PRO A 67 5.918 -3.514 -9.251 1.00 0.00 C ATOM 1014 CG PRO A 67 6.842 -2.980 -10.294 1.00 0.00 C ATOM 1015 CD PRO A 67 6.591 -1.502 -10.372 1.00 0.00 C ATOM 0 HA PRO A 67 4.421 -2.207 -8.325 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.412 -4.272 -8.643 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.048 -3.988 -9.706 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.880 -3.184 -10.033 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.656 -3.456 -11.257 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.500 -0.954 -10.619 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.855 -1.261 -11.139 1.00 0.00 H new ATOM 1023 N VAL A 68 5.079 -2.691 -6.099 1.00 0.00 N ATOM 1024 CA VAL A 68 5.370 -2.830 -4.680 1.00 0.00 C ATOM 1025 C VAL A 68 5.715 -4.266 -4.381 1.00 0.00 C ATOM 1026 O VAL A 68 6.129 -4.626 -3.282 1.00 0.00 O ATOM 1027 CB VAL A 68 4.182 -2.374 -3.812 1.00 0.00 C ATOM 1028 CG1 VAL A 68 3.853 -0.912 -4.085 1.00 0.00 C ATOM 1029 CG2 VAL A 68 2.967 -3.255 -4.052 1.00 0.00 C ATOM 0 H VAL A 68 4.092 -2.794 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 68 6.217 -2.189 -4.437 1.00 0.00 H new ATOM 0 HB VAL A 68 4.466 -2.472 -2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.011 -0.606 -3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.720 -0.294 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.592 -0.788 -5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.141 -2.914 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.677 -3.197 -5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.210 -4.287 -3.799 1.00 0.00 H new ATOM 1039 N HIS A 69 5.519 -5.056 -5.402 1.00 0.00 N ATOM 1040 CA HIS A 69 5.764 -6.462 -5.405 1.00 0.00 C ATOM 1041 C HIS A 69 7.202 -6.787 -5.002 1.00 0.00 C ATOM 1042 O HIS A 69 8.112 -6.739 -5.831 1.00 0.00 O ATOM 1043 CB HIS A 69 5.473 -6.936 -6.813 1.00 0.00 C ATOM 1044 CG HIS A 69 4.022 -6.904 -7.189 1.00 0.00 C ATOM 1045 ND1 HIS A 69 3.533 -7.689 -8.203 1.00 0.00 N ATOM 1046 CD2 HIS A 69 3.007 -6.170 -6.671 1.00 0.00 C ATOM 1047 CE1 HIS A 69 2.242 -7.420 -8.280 1.00 0.00 C ATOM 1048 NE2 HIS A 69 1.876 -6.505 -7.372 1.00 0.00 N ATOM 0 H HIS A 69 5.167 -4.713 -6.296 1.00 0.00 H new ATOM 0 HA HIS A 69 5.130 -6.966 -4.676 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.032 -6.317 -7.515 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.842 -7.956 -6.924 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.075 -5.458 -5.862 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.566 -7.880 -8.986 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.938 -6.130 -7.230 1.00 0.00 H new ATOM 1056 N GLY A 70 7.407 -7.096 -3.732 1.00 0.00 N ATOM 1057 CA GLY A 70 8.735 -7.424 -3.261 1.00 0.00 C ATOM 1058 C GLY A 70 9.287 -6.373 -2.322 1.00 0.00 C ATOM 1059 O GLY A 70 10.292 -6.605 -1.647 1.00 0.00 O ATOM 0 H GLY A 70 6.678 -7.126 -3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.710 -8.387 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.404 -7.533 -4.114 1.00 0.00 H new ATOM 1063 N LEU A 71 8.627 -5.222 -2.270 1.00 0.00 N ATOM 1064 CA LEU A 71 9.061 -4.133 -1.405 1.00 0.00 C ATOM 1065 C LEU A 71 8.717 -4.449 0.041 1.00 0.00 C ATOM 1066 O LEU A 71 7.633 -4.948 0.330 1.00 0.00 O ATOM 1067 CB LEU A 71 8.394 -2.810 -1.807 1.00 0.00 C ATOM 1068 CG LEU A 71 8.804 -2.232 -3.164 1.00 0.00 C ATOM 1069 CD1 LEU A 71 8.246 -0.827 -3.331 1.00 0.00 C ATOM 1070 CD2 LEU A 71 10.317 -2.224 -3.316 1.00 0.00 C ATOM 0 H LEU A 71 7.790 -5.019 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 71 10.140 -4.028 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.314 -2.958 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.613 -2.069 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 71 8.388 -2.869 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.546 -0.429 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.158 -0.858 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.634 -0.185 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.583 -1.809 -4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.759 -1.614 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.696 -3.243 -3.241 1.00 0.00 H new ATOM 1082 N VAL A 72 9.636 -4.154 0.946 1.00 0.00 N ATOM 1083 CA VAL A 72 9.411 -4.410 2.361 1.00 0.00 C ATOM 1084 C VAL A 72 8.501 -3.328 2.959 1.00 0.00 C ATOM 1085 O VAL A 72 8.216 -2.325 2.301 1.00 0.00 O ATOM 1086 CB VAL A 72 10.757 -4.496 3.128 1.00 0.00 C ATOM 1087 CG1 VAL A 72 11.155 -3.156 3.736 1.00 0.00 C ATOM 1088 CG2 VAL A 72 10.698 -5.583 4.194 1.00 0.00 C ATOM 0 H VAL A 72 10.542 -3.739 0.728 1.00 0.00 H new ATOM 0 HA VAL A 72 8.910 -5.373 2.464 1.00 0.00 H new ATOM 0 HB VAL A 72 11.529 -4.760 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.103 -3.263 4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.262 -2.415 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.385 -2.831 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.651 -5.628 4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.902 -5.355 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.499 -6.545 3.722 1.00 0.00 H new ATOM 1098 N HIS A 73 8.046 -3.556 4.192 1.00 0.00 N ATOM 1099 CA HIS A 73 7.157 -2.638 4.917 1.00 0.00 C ATOM 1100 C HIS A 73 7.568 -1.176 4.764 1.00 0.00 C ATOM 1101 O HIS A 73 6.757 -0.311 4.444 1.00 0.00 O ATOM 1102 CB HIS A 73 7.195 -2.991 6.404 1.00 0.00 C ATOM 1103 CG HIS A 73 5.962 -2.624 7.170 1.00 0.00 C ATOM 1104 ND1 HIS A 73 5.175 -3.535 7.832 1.00 0.00 N ATOM 1105 CD2 HIS A 73 5.400 -1.410 7.397 1.00 0.00 C ATOM 1106 CE1 HIS A 73 4.180 -2.867 8.427 1.00 0.00 C ATOM 1107 NE2 HIS A 73 4.271 -1.574 8.196 1.00 0.00 N ATOM 0 H HIS A 73 8.286 -4.392 4.724 1.00 0.00 H new ATOM 0 HA HIS A 73 6.158 -2.751 4.496 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.362 -4.064 6.504 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.050 -2.492 6.859 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.769 -0.468 7.019 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.404 -3.328 9.019 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.644 -0.843 8.533 1.00 0.00 H new ATOM 1115 N THR A 74 8.839 -0.919 4.982 1.00 0.00 N ATOM 1116 CA THR A 74 9.367 0.427 4.937 1.00 0.00 C ATOM 1117 C THR A 74 9.730 0.888 3.524 1.00 0.00 C ATOM 1118 O THR A 74 9.890 2.083 3.286 1.00 0.00 O ATOM 1119 CB THR A 74 10.596 0.505 5.853 1.00 0.00 C ATOM 1120 OG1 THR A 74 11.697 -0.205 5.263 1.00 0.00 O ATOM 1121 CG2 THR A 74 10.267 -0.116 7.204 1.00 0.00 C ATOM 0 H THR A 74 9.534 -1.635 5.195 1.00 0.00 H new ATOM 0 HA THR A 74 8.583 1.101 5.281 1.00 0.00 H new ATOM 0 HB THR A 74 10.871 1.551 5.985 1.00 0.00 H new ATOM 0 HG1 THR A 74 12.477 -0.148 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.141 -0.060 7.853 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.440 0.426 7.662 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.985 -1.160 7.066 1.00 0.00 H new ATOM 1129 N GLU A 75 9.829 -0.044 2.583 1.00 0.00 N ATOM 1130 CA GLU A 75 10.187 0.303 1.217 1.00 0.00 C ATOM 1131 C GLU A 75 9.069 1.074 0.530 1.00 0.00 C ATOM 1132 O GLU A 75 9.325 2.066 -0.153 1.00 0.00 O ATOM 1133 CB GLU A 75 10.538 -0.945 0.420 1.00 0.00 C ATOM 1134 CG GLU A 75 11.976 -1.403 0.613 1.00 0.00 C ATOM 1135 CD GLU A 75 12.439 -2.340 -0.476 1.00 0.00 C ATOM 1136 OE1 GLU A 75 12.029 -3.517 -0.465 1.00 0.00 O ATOM 1137 OE2 GLU A 75 13.220 -1.901 -1.347 1.00 0.00 O ATOM 0 H GLU A 75 9.667 -1.039 2.741 1.00 0.00 H new ATOM 0 HA GLU A 75 11.064 0.949 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.866 -1.753 0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.366 -0.751 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.630 -0.532 0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.068 -1.900 1.578 1.00 0.00 H new ATOM 1144 N VAL A 76 7.829 0.628 0.713 1.00 0.00 N ATOM 1145 CA VAL A 76 6.692 1.315 0.107 1.00 0.00 C ATOM 1146 C VAL A 76 6.567 2.711 0.694 1.00 0.00 C ATOM 1147 O VAL A 76 6.368 3.690 -0.024 1.00 0.00 O ATOM 1148 CB VAL A 76 5.368 0.548 0.290 1.00 0.00 C ATOM 1149 CG1 VAL A 76 5.313 -0.621 -0.672 1.00 0.00 C ATOM 1150 CG2 VAL A 76 5.173 0.087 1.733 1.00 0.00 C ATOM 0 H VAL A 76 7.588 -0.193 1.267 1.00 0.00 H new ATOM 0 HA VAL A 76 6.882 1.373 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 76 4.547 1.228 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.375 -1.159 -0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.377 -0.253 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.148 -1.293 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.228 -0.449 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.992 -0.573 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.159 0.954 2.393 1.00 0.00 H new ATOM 1160 N VAL A 77 6.686 2.774 2.011 1.00 0.00 N ATOM 1161 CA VAL A 77 6.649 4.027 2.742 1.00 0.00 C ATOM 1162 C VAL A 77 7.690 4.986 2.179 1.00 0.00 C ATOM 1163 O VAL A 77 7.390 6.147 1.893 1.00 0.00 O ATOM 1164 CB VAL A 77 6.911 3.783 4.238 1.00 0.00 C ATOM 1165 CG1 VAL A 77 7.012 5.093 5.003 1.00 0.00 C ATOM 1166 CG2 VAL A 77 5.826 2.895 4.831 1.00 0.00 C ATOM 0 H VAL A 77 6.811 1.953 2.603 1.00 0.00 H new ATOM 0 HA VAL A 77 5.659 4.469 2.630 1.00 0.00 H new ATOM 0 HB VAL A 77 7.869 3.271 4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.197 4.886 6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.832 5.687 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.079 5.647 4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.027 2.733 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.856 3.379 4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.817 1.936 4.312 1.00 0.00 H new ATOM 1176 N GLU A 78 8.909 4.481 2.008 1.00 0.00 N ATOM 1177 CA GLU A 78 10.001 5.276 1.454 1.00 0.00 C ATOM 1178 C GLU A 78 9.655 5.772 0.061 1.00 0.00 C ATOM 1179 O GLU A 78 9.814 6.950 -0.238 1.00 0.00 O ATOM 1180 CB GLU A 78 11.285 4.468 1.381 1.00 0.00 C ATOM 1181 CG GLU A 78 12.098 4.525 2.651 1.00 0.00 C ATOM 1182 CD GLU A 78 13.576 4.332 2.394 1.00 0.00 C ATOM 1183 OE1 GLU A 78 14.210 5.258 1.846 1.00 0.00 O ATOM 1184 OE2 GLU A 78 14.107 3.252 2.722 1.00 0.00 O ATOM 0 H GLU A 78 9.166 3.523 2.246 1.00 0.00 H new ATOM 0 HA GLU A 78 10.149 6.127 2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.040 3.429 1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.891 4.835 0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.939 5.486 3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.747 3.756 3.339 1.00 0.00 H new ATOM 1191 N LEU A 79 9.200 4.853 -0.785 1.00 0.00 N ATOM 1192 CA LEU A 79 8.815 5.181 -2.159 1.00 0.00 C ATOM 1193 C LEU A 79 7.830 6.345 -2.177 1.00 0.00 C ATOM 1194 O LEU A 79 7.934 7.251 -3.006 1.00 0.00 O ATOM 1195 CB LEU A 79 8.185 3.961 -2.845 1.00 0.00 C ATOM 1196 CG LEU A 79 8.777 3.588 -4.213 1.00 0.00 C ATOM 1197 CD1 LEU A 79 8.654 4.745 -5.196 1.00 0.00 C ATOM 1198 CD2 LEU A 79 10.229 3.158 -4.065 1.00 0.00 C ATOM 0 H LEU A 79 9.087 3.868 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 79 9.714 5.471 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.283 3.102 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.118 4.147 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 79 8.208 2.749 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.081 4.454 -6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.602 5.000 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.191 5.611 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.633 2.897 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.809 3.977 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.287 2.292 -3.406 1.00 0.00 H new ATOM 1210 N ILE A 80 6.891 6.323 -1.244 1.00 0.00 N ATOM 1211 CA ILE A 80 5.890 7.362 -1.139 1.00 0.00 C ATOM 1212 C ILE A 80 6.517 8.683 -0.688 1.00 0.00 C ATOM 1213 O ILE A 80 6.343 9.713 -1.340 1.00 0.00 O ATOM 1214 CB ILE A 80 4.777 6.921 -0.171 1.00 0.00 C ATOM 1215 CG1 ILE A 80 3.886 5.884 -0.851 1.00 0.00 C ATOM 1216 CG2 ILE A 80 3.958 8.108 0.286 1.00 0.00 C ATOM 1217 CD1 ILE A 80 3.249 4.908 0.105 1.00 0.00 C ATOM 0 H ILE A 80 6.805 5.586 -0.544 1.00 0.00 H new ATOM 0 HA ILE A 80 5.452 7.526 -2.123 1.00 0.00 H new ATOM 0 HB ILE A 80 5.236 6.473 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.102 6.400 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.479 5.331 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.178 7.771 0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.605 8.821 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.500 8.589 -0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.632 4.203 -0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.026 4.364 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.628 5.450 0.818 1.00 0.00 H new ATOM 1229 N LEU A 81 7.253 8.641 0.418 1.00 0.00 N ATOM 1230 CA LEU A 81 7.915 9.830 0.953 1.00 0.00 C ATOM 1231 C LEU A 81 8.885 10.426 -0.068 1.00 0.00 C ATOM 1232 O LEU A 81 9.028 11.647 -0.177 1.00 0.00 O ATOM 1233 CB LEU A 81 8.672 9.475 2.235 1.00 0.00 C ATOM 1234 CG LEU A 81 7.824 8.860 3.351 1.00 0.00 C ATOM 1235 CD1 LEU A 81 8.713 8.293 4.446 1.00 0.00 C ATOM 1236 CD2 LEU A 81 6.873 9.897 3.923 1.00 0.00 C ATOM 0 H LEU A 81 7.408 7.794 0.965 1.00 0.00 H new ATOM 0 HA LEU A 81 7.149 10.573 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.471 8.778 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.146 10.378 2.618 1.00 0.00 H new ATOM 0 HG LEU A 81 7.236 8.044 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.093 7.860 5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.359 7.521 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.326 9.090 4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.276 9.446 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.446 10.731 4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.214 10.260 3.135 1.00 0.00 H new ATOM 1248 N LYS A 82 9.552 9.543 -0.799 1.00 0.00 N ATOM 1249 CA LYS A 82 10.522 9.920 -1.819 1.00 0.00 C ATOM 1250 C LYS A 82 9.887 10.733 -2.932 1.00 0.00 C ATOM 1251 O LYS A 82 10.500 11.654 -3.472 1.00 0.00 O ATOM 1252 CB LYS A 82 11.119 8.672 -2.410 1.00 0.00 C ATOM 1253 CG LYS A 82 12.442 8.886 -3.115 1.00 0.00 C ATOM 1254 CD LYS A 82 12.745 7.722 -4.035 1.00 0.00 C ATOM 1255 CE LYS A 82 13.047 6.460 -3.243 1.00 0.00 C ATOM 1256 NZ LYS A 82 13.653 5.396 -4.084 1.00 0.00 N ATOM 0 H LYS A 82 9.434 8.535 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 82 11.287 10.535 -1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.259 7.939 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.409 8.244 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.410 9.812 -3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.240 8.994 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.896 7.546 -4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.596 7.969 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.724 6.702 -2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.126 6.086 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.841 4.556 -3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.998 5.144 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.546 5.741 -4.491 1.00 0.00 H new ATOM 1270 N SER A 83 8.673 10.353 -3.296 1.00 0.00 N ATOM 1271 CA SER A 83 7.928 11.034 -4.346 1.00 0.00 C ATOM 1272 C SER A 83 7.851 12.541 -4.085 1.00 0.00 C ATOM 1273 O SER A 83 8.105 13.344 -4.986 1.00 0.00 O ATOM 1274 CB SER A 83 6.524 10.439 -4.455 1.00 0.00 C ATOM 1275 OG SER A 83 5.743 11.126 -5.419 1.00 0.00 O ATOM 0 H SER A 83 8.177 9.568 -2.875 1.00 0.00 H new ATOM 0 HA SER A 83 8.454 10.888 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.594 9.385 -4.725 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.031 10.487 -3.484 1.00 0.00 H new ATOM 0 HG SER A 83 5.161 11.773 -4.968 1.00 0.00 H new ATOM 1281 N GLY A 84 7.510 12.929 -2.863 1.00 0.00 N ATOM 1282 CA GLY A 84 7.436 14.341 -2.542 1.00 0.00 C ATOM 1283 C GLY A 84 6.214 14.696 -1.725 1.00 0.00 C ATOM 1284 O GLY A 84 5.859 13.987 -0.786 1.00 0.00 O ATOM 0 H GLY A 84 7.285 12.297 -2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.331 14.631 -1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.429 14.919 -3.466 1.00 0.00 H new ATOM 1288 N ASN A 85 5.554 15.782 -2.102 1.00 0.00 N ATOM 1289 CA ASN A 85 4.366 16.253 -1.393 1.00 0.00 C ATOM 1290 C ASN A 85 3.133 15.460 -1.791 1.00 0.00 C ATOM 1291 O ASN A 85 2.032 15.712 -1.307 1.00 0.00 O ATOM 1292 CB ASN A 85 4.134 17.738 -1.671 1.00 0.00 C ATOM 1293 CG ASN A 85 3.962 18.047 -3.149 1.00 0.00 C ATOM 1294 OD1 ASN A 85 2.866 17.938 -3.697 1.00 0.00 O ATOM 1295 ND2 ASN A 85 5.041 18.446 -3.802 1.00 0.00 N ATOM 0 H ASN A 85 5.821 16.359 -2.900 1.00 0.00 H new ATOM 0 HA ASN A 85 4.539 16.107 -0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.247 18.069 -1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 85 4.976 18.310 -1.282 1.00 0.00 H new ATOM 0 HD21 ASN A 85 4.981 18.675 -4.794 1.00 0.00 H new ATOM 0 HD22 ASN A 85 5.933 18.524 -3.313 1.00 0.00 H new ATOM 1302 N LYS A 86 3.331 14.486 -2.652 1.00 0.00 N ATOM 1303 CA LYS A 86 2.256 13.653 -3.130 1.00 0.00 C ATOM 1304 C LYS A 86 2.806 12.358 -3.682 1.00 0.00 C ATOM 1305 O LYS A 86 4.020 12.184 -3.768 1.00 0.00 O ATOM 1306 CB LYS A 86 1.487 14.372 -4.221 1.00 0.00 C ATOM 1307 CG LYS A 86 2.359 14.902 -5.350 1.00 0.00 C ATOM 1308 CD LYS A 86 1.634 14.863 -6.685 1.00 0.00 C ATOM 1309 CE LYS A 86 2.524 15.352 -7.816 1.00 0.00 C ATOM 1310 NZ LYS A 86 3.743 14.516 -7.977 1.00 0.00 N ATOM 0 H LYS A 86 4.245 14.251 -3.040 1.00 0.00 H new ATOM 0 HA LYS A 86 1.589 13.437 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.746 13.690 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.940 15.204 -3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.659 15.926 -5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.272 14.310 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.306 13.844 -6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.738 15.482 -6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.958 15.349 -8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.817 16.384 -7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.193 14.731 -8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.409 14.721 -7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.480 13.510 -7.949 1.00 0.00 H new ATOM 1324 N VAL A 87 1.911 11.466 -4.068 1.00 0.00 N ATOM 1325 CA VAL A 87 2.319 10.160 -4.604 1.00 0.00 C ATOM 1326 C VAL A 87 1.155 9.412 -5.266 1.00 0.00 C ATOM 1327 O VAL A 87 0.001 9.548 -4.859 1.00 0.00 O ATOM 1328 CB VAL A 87 2.930 9.277 -3.493 1.00 0.00 C ATOM 1329 CG1 VAL A 87 1.881 8.915 -2.453 1.00 0.00 C ATOM 1330 CG2 VAL A 87 3.575 8.025 -4.071 1.00 0.00 C ATOM 0 H VAL A 87 0.902 11.611 -4.025 1.00 0.00 H new ATOM 0 HA VAL A 87 3.070 10.360 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 87 3.713 9.855 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.334 8.293 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.487 9.825 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.069 8.367 -2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.995 7.426 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.824 7.441 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.369 8.310 -4.762 1.00 0.00 H new ATOM 1340 N ALA A 88 1.480 8.643 -6.303 1.00 0.00 N ATOM 1341 CA ALA A 88 0.493 7.855 -7.042 1.00 0.00 C ATOM 1342 C ALA A 88 0.403 6.424 -6.521 1.00 0.00 C ATOM 1343 O ALA A 88 1.168 5.555 -6.939 1.00 0.00 O ATOM 1344 CB ALA A 88 0.827 7.836 -8.524 1.00 0.00 C ATOM 0 H ALA A 88 2.433 8.548 -6.655 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.475 8.333 -6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.082 7.245 -9.057 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.826 8.855 -8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.813 7.394 -8.669 1.00 0.00 H new ATOM 1350 N ILE A 89 -0.520 6.176 -5.610 1.00 0.00 N ATOM 1351 CA ILE A 89 -0.698 4.832 -5.064 1.00 0.00 C ATOM 1352 C ILE A 89 -1.677 4.028 -5.927 1.00 0.00 C ATOM 1353 O ILE A 89 -2.860 4.350 -6.011 1.00 0.00 O ATOM 1354 CB ILE A 89 -1.165 4.856 -3.587 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -1.532 3.454 -3.116 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -2.340 5.799 -3.390 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -1.624 3.335 -1.614 1.00 0.00 C ATOM 0 H ILE A 89 -1.156 6.878 -5.231 1.00 0.00 H new ATOM 0 HA ILE A 89 0.276 4.343 -5.084 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.333 5.224 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.488 3.169 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.788 2.748 -3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.641 5.791 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.047 6.809 -3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.175 5.474 -4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.889 2.312 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.662 3.590 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.388 4.017 -1.241 1.00 0.00 H new ATOM 1369 N SER A 90 -1.184 2.989 -6.580 1.00 0.00 N ATOM 1370 CA SER A 90 -2.020 2.173 -7.442 1.00 0.00 C ATOM 1371 C SER A 90 -2.640 1.015 -6.673 1.00 0.00 C ATOM 1372 O SER A 90 -1.945 0.088 -6.255 1.00 0.00 O ATOM 1373 CB SER A 90 -1.199 1.658 -8.621 1.00 0.00 C ATOM 1374 OG SER A 90 -1.948 1.688 -9.822 1.00 0.00 O ATOM 0 H SER A 90 -0.210 2.691 -6.529 1.00 0.00 H new ATOM 0 HA SER A 90 -2.835 2.791 -7.819 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.301 2.266 -8.735 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.870 0.638 -8.420 1.00 0.00 H new ATOM 0 HG SER A 90 -1.396 1.354 -10.560 1.00 0.00 H new ATOM 1380 N THR A 91 -3.949 1.090 -6.489 1.00 0.00 N ATOM 1381 CA THR A 91 -4.697 0.065 -5.781 1.00 0.00 C ATOM 1382 C THR A 91 -5.464 -0.808 -6.772 1.00 0.00 C ATOM 1383 O THR A 91 -5.538 -0.476 -7.959 1.00 0.00 O ATOM 1384 CB THR A 91 -5.673 0.719 -4.788 1.00 0.00 C ATOM 1385 OG1 THR A 91 -6.442 1.726 -5.460 1.00 0.00 O ATOM 1386 CG2 THR A 91 -4.924 1.354 -3.628 1.00 0.00 C ATOM 0 H THR A 91 -4.522 1.863 -6.827 1.00 0.00 H new ATOM 0 HA THR A 91 -3.998 -0.563 -5.229 1.00 0.00 H new ATOM 0 HB THR A 91 -6.332 -0.056 -4.397 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.370 1.691 -5.148 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.637 1.809 -2.940 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.351 0.590 -3.103 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.246 2.119 -4.007 1.00 0.00 H new ATOM 1394 N THR A 92 -6.027 -1.919 -6.308 1.00 0.00 N ATOM 1395 CA THR A 92 -6.752 -2.807 -7.203 1.00 0.00 C ATOM 1396 C THR A 92 -8.269 -2.734 -6.988 1.00 0.00 C ATOM 1397 O THR A 92 -8.793 -3.242 -5.993 1.00 0.00 O ATOM 1398 CB THR A 92 -6.247 -4.268 -7.082 1.00 0.00 C ATOM 1399 OG1 THR A 92 -6.975 -5.132 -7.968 1.00 0.00 O ATOM 1400 CG2 THR A 92 -6.365 -4.782 -5.658 1.00 0.00 C ATOM 0 H THR A 92 -5.996 -2.221 -5.334 1.00 0.00 H new ATOM 0 HA THR A 92 -6.552 -2.461 -8.217 1.00 0.00 H new ATOM 0 HB THR A 92 -5.194 -4.270 -7.363 1.00 0.00 H new ATOM 0 HG1 THR A 92 -6.641 -6.049 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.002 -5.809 -5.611 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.769 -4.155 -4.994 1.00 0.00 H new ATOM 0 HG23 THR A 92 -7.409 -4.751 -5.345 1.00 0.00 H new ATOM 1408 N PRO A 93 -8.999 -2.060 -7.903 1.00 0.00 N ATOM 1409 CA PRO A 93 -10.461 -1.960 -7.821 1.00 0.00 C ATOM 1410 C PRO A 93 -11.148 -3.321 -7.693 1.00 0.00 C ATOM 1411 O PRO A 93 -10.519 -4.376 -7.822 1.00 0.00 O ATOM 1412 CB PRO A 93 -10.857 -1.309 -9.146 1.00 0.00 C ATOM 1413 CG PRO A 93 -9.654 -0.537 -9.570 1.00 0.00 C ATOM 1414 CD PRO A 93 -8.456 -1.274 -9.035 1.00 0.00 C ATOM 0 HA PRO A 93 -10.764 -1.400 -6.937 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.127 -2.059 -9.889 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.722 -0.657 -9.023 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.607 -0.459 -10.656 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.689 0.480 -9.179 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.012 -1.919 -9.793 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.677 -0.586 -8.707 1.00 0.00 H new ATOM 1422 N LEU A 94 -12.449 -3.278 -7.455 1.00 0.00 N ATOM 1423 CA LEU A 94 -13.259 -4.480 -7.303 1.00 0.00 C ATOM 1424 C LEU A 94 -13.293 -5.285 -8.598 1.00 0.00 C ATOM 1425 O LEU A 94 -12.990 -4.767 -9.676 1.00 0.00 O ATOM 1426 CB LEU A 94 -14.687 -4.110 -6.893 1.00 0.00 C ATOM 1427 CG LEU A 94 -14.903 -2.652 -6.515 1.00 0.00 C ATOM 1428 CD1 LEU A 94 -15.228 -1.864 -7.760 1.00 0.00 C ATOM 1429 CD2 LEU A 94 -16.014 -2.522 -5.484 1.00 0.00 C ATOM 0 H LEU A 94 -12.975 -2.409 -7.361 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.805 -5.092 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -15.358 -4.357 -7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -14.977 -4.733 -6.047 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.992 -2.255 -6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.384 -0.818 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.401 -1.942 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -16.134 -2.263 -8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -16.152 -1.471 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -16.941 -2.920 -5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -15.746 -3.082 -4.588 1.00 0.00 H new ATOM 1441 N GLU A 95 -13.700 -6.540 -8.489 1.00 0.00 N ATOM 1442 CA GLU A 95 -13.765 -7.432 -9.637 1.00 0.00 C ATOM 1443 C GLU A 95 -14.760 -8.559 -9.379 1.00 0.00 C ATOM 1444 O GLU A 95 -15.355 -8.634 -8.302 1.00 0.00 O ATOM 1445 CB GLU A 95 -12.373 -8.009 -9.950 1.00 0.00 C ATOM 1446 CG GLU A 95 -11.880 -9.052 -8.950 1.00 0.00 C ATOM 1447 CD GLU A 95 -11.467 -8.461 -7.618 1.00 0.00 C ATOM 1448 OE1 GLU A 95 -10.342 -7.925 -7.522 1.00 0.00 O ATOM 1449 OE2 GLU A 95 -12.259 -8.545 -6.653 1.00 0.00 O ATOM 0 H GLU A 95 -13.992 -6.967 -7.610 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.104 -6.859 -10.500 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.395 -8.458 -10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.654 -7.190 -9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.668 -9.787 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.033 -9.585 -9.381 1.00 0.00 H new