USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 673 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 65 MET CE :methyl 156:sc= -0.928 (180deg=-0.755) USER MOD Set 1.2: A 68 ASN : amide:sc= -0.321 X(o=-1.2,f=-1.3) USER MOD Set 2.1: A 27 TYR OH : rot -130:sc= -0.0361 USER MOD Set 2.2: A 30 GLN : amide:sc= -0.31 X(o=-0.35,f=-0.036) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.0625 X(o=0.063,f=-0.41) USER MOD Single : A 9 LYS NZ :NH3+ -149:sc= 0.0914 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 150:sc= -0.142 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -1.49 (180deg=-2.48!) USER MOD Single : A 26 MET CE :methyl -117:sc= -0.0101 (180deg=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -122:sc= -0.0951 (180deg=-0.286) USER MOD Single : A 33 THR OG1 : rot 88:sc= -0.839 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 80:sc= 1.13 USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00362) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= 0.0153 (180deg=0.0071) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -138:sc= -0.0446 (180deg=-0.912) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -6.66! C(o=-6.7!,f=-7.4!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.899 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.167 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl 157:sc= -1.73 (180deg=-3.53!) USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 10.696 9.506 -14.232 1.00 0.00 N ATOM 75 CA LYS A 6 9.429 9.497 -15.038 1.00 0.00 C ATOM 76 C LYS A 6 8.609 8.233 -14.725 1.00 0.00 C ATOM 77 O LYS A 6 7.393 8.272 -14.691 1.00 0.00 O ATOM 78 CB LYS A 6 9.771 9.532 -16.540 1.00 0.00 C ATOM 79 CG LYS A 6 10.539 8.265 -16.955 1.00 0.00 C ATOM 80 CD LYS A 6 11.922 8.245 -16.290 1.00 0.00 C ATOM 81 CE LYS A 6 12.948 7.633 -17.247 1.00 0.00 C ATOM 82 NZ LYS A 6 13.810 8.711 -17.811 1.00 0.00 N ATOM 0 HA LYS A 6 8.838 10.376 -14.778 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.855 9.615 -17.124 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.371 10.415 -16.761 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.975 7.378 -16.666 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.648 8.235 -18.039 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.221 9.258 -16.021 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.883 7.668 -15.366 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.561 6.902 -16.720 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.439 7.102 -18.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.507 8.294 -18.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.219 9.393 -18.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.306 9.199 -17.038 1.00 0.00 H new ATOM 96 N LEU A 7 9.275 7.122 -14.494 1.00 0.00 N ATOM 97 CA LEU A 7 8.577 5.836 -14.173 1.00 0.00 C ATOM 98 C LEU A 7 9.659 4.765 -13.937 1.00 0.00 C ATOM 99 O LEU A 7 9.647 3.702 -14.532 1.00 0.00 O ATOM 100 CB LEU A 7 7.665 5.433 -15.352 1.00 0.00 C ATOM 101 CG LEU A 7 6.275 5.001 -14.846 1.00 0.00 C ATOM 102 CD1 LEU A 7 6.403 3.781 -13.933 1.00 0.00 C ATOM 103 CD2 LEU A 7 5.612 6.144 -14.069 1.00 0.00 C ATOM 0 H LEU A 7 10.293 7.054 -14.516 1.00 0.00 H new ATOM 0 HA LEU A 7 7.955 5.941 -13.284 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.562 6.271 -16.041 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.124 4.617 -15.910 1.00 0.00 H new ATOM 0 HG LEU A 7 5.659 4.747 -15.709 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.415 3.484 -13.581 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.853 2.957 -14.487 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.032 4.030 -13.079 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.631 5.824 -13.718 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.234 6.412 -13.215 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.499 7.010 -14.721 1.00 0.00 H new ATOM 115 N HIS A 8 10.612 5.062 -13.075 1.00 0.00 N ATOM 116 CA HIS A 8 11.722 4.101 -12.792 1.00 0.00 C ATOM 117 C HIS A 8 11.364 3.212 -11.597 1.00 0.00 C ATOM 118 O HIS A 8 10.515 3.548 -10.791 1.00 0.00 O ATOM 119 CB HIS A 8 13.006 4.877 -12.489 1.00 0.00 C ATOM 120 CG HIS A 8 14.202 4.032 -12.836 1.00 0.00 C ATOM 121 ND1 HIS A 8 14.904 3.316 -11.879 1.00 0.00 N ATOM 122 CD2 HIS A 8 14.828 3.774 -14.031 1.00 0.00 C ATOM 123 CE1 HIS A 8 15.901 2.669 -12.507 1.00 0.00 C ATOM 124 NE2 HIS A 8 15.900 2.913 -13.821 1.00 0.00 N ATOM 0 H HIS A 8 10.663 5.938 -12.554 1.00 0.00 H new ATOM 0 HA HIS A 8 11.874 3.469 -13.667 1.00 0.00 H new ATOM 0 HB2 HIS A 8 13.026 5.805 -13.061 1.00 0.00 H new ATOM 0 HB3 HIS A 8 13.036 5.152 -11.435 1.00 0.00 H new ATOM 0 HD1 HIS A 8 14.701 3.286 -10.880 1.00 0.00 H new ATOM 0 HD2 HIS A 8 14.533 4.178 -14.988 1.00 0.00 H new ATOM 0 HE1 HIS A 8 16.616 2.030 -12.010 1.00 0.00 H new ATOM 132 N LYS A 9 12.008 2.073 -11.494 1.00 0.00 N ATOM 133 CA LYS A 9 11.718 1.126 -10.375 1.00 0.00 C ATOM 134 C LYS A 9 12.892 1.082 -9.384 1.00 0.00 C ATOM 135 O LYS A 9 13.993 1.507 -9.684 1.00 0.00 O ATOM 136 CB LYS A 9 11.474 -0.290 -10.926 1.00 0.00 C ATOM 137 CG LYS A 9 11.309 -0.271 -12.454 1.00 0.00 C ATOM 138 CD LYS A 9 12.631 -0.661 -13.121 1.00 0.00 C ATOM 139 CE LYS A 9 12.412 -1.871 -14.031 1.00 0.00 C ATOM 140 NZ LYS A 9 13.723 -2.513 -14.335 1.00 0.00 N ATOM 0 H LYS A 9 12.728 1.758 -12.144 1.00 0.00 H new ATOM 0 HA LYS A 9 10.825 1.478 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.309 -0.937 -10.656 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.581 -0.713 -10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.522 -0.963 -12.753 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.003 0.722 -12.784 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.018 0.177 -13.701 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.377 -0.895 -12.362 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.749 -2.587 -13.547 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.925 -1.560 -14.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.688 -2.943 -15.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.475 -1.795 -14.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.921 -3.249 -13.628 1.00 0.00 H new ATOM 154 N GLU A 10 12.649 0.561 -8.203 1.00 0.00 N ATOM 155 CA GLU A 10 13.716 0.462 -7.161 1.00 0.00 C ATOM 156 C GLU A 10 13.268 -0.575 -6.121 1.00 0.00 C ATOM 157 O GLU A 10 12.157 -0.502 -5.641 1.00 0.00 O ATOM 158 CB GLU A 10 13.927 1.828 -6.485 1.00 0.00 C ATOM 159 CG GLU A 10 12.575 2.513 -6.231 1.00 0.00 C ATOM 160 CD GLU A 10 12.477 3.796 -7.066 1.00 0.00 C ATOM 161 OE1 GLU A 10 12.939 4.823 -6.596 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.937 3.731 -8.159 1.00 0.00 O ATOM 0 H GLU A 10 11.741 0.195 -7.916 1.00 0.00 H new ATOM 0 HA GLU A 10 14.659 0.159 -7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.458 1.696 -5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 10 14.550 2.461 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.760 1.837 -6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.470 2.749 -5.172 1.00 0.00 H new ATOM 169 N PRO A 11 14.129 -1.521 -5.818 1.00 0.00 N ATOM 170 CA PRO A 11 13.814 -2.598 -4.855 1.00 0.00 C ATOM 171 C PRO A 11 13.240 -2.051 -3.539 1.00 0.00 C ATOM 172 O PRO A 11 13.606 -0.989 -3.069 1.00 0.00 O ATOM 173 CB PRO A 11 15.140 -3.318 -4.626 1.00 0.00 C ATOM 174 CG PRO A 11 16.131 -2.804 -5.696 1.00 0.00 C ATOM 175 CD PRO A 11 15.482 -1.597 -6.395 1.00 0.00 C ATOM 0 HA PRO A 11 13.043 -3.265 -5.242 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.518 -3.118 -3.624 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.011 -4.397 -4.708 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.076 -2.516 -5.235 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.355 -3.589 -6.418 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.044 -0.682 -6.210 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.446 -1.736 -7.475 1.00 0.00 H new ATOM 183 N ALA A 12 12.328 -2.796 -2.963 1.00 0.00 N ATOM 184 CA ALA A 12 11.670 -2.388 -1.686 1.00 0.00 C ATOM 185 C ALA A 12 11.706 -3.571 -0.701 1.00 0.00 C ATOM 186 O ALA A 12 12.607 -4.391 -0.746 1.00 0.00 O ATOM 187 CB ALA A 12 10.227 -2.005 -1.986 1.00 0.00 C ATOM 0 H ALA A 12 12.006 -3.690 -3.335 1.00 0.00 H new ATOM 0 HA ALA A 12 12.190 -1.539 -1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.731 -1.704 -1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.210 -1.176 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.705 -2.860 -2.416 1.00 0.00 H new ATOM 193 N THR A 13 10.738 -3.674 0.189 1.00 0.00 N ATOM 194 CA THR A 13 10.722 -4.802 1.163 1.00 0.00 C ATOM 195 C THR A 13 9.286 -5.017 1.652 1.00 0.00 C ATOM 196 O THR A 13 8.667 -4.112 2.186 1.00 0.00 O ATOM 197 CB THR A 13 11.640 -4.461 2.350 1.00 0.00 C ATOM 198 OG1 THR A 13 11.501 -5.446 3.370 1.00 0.00 O ATOM 199 CG2 THR A 13 11.275 -3.079 2.906 1.00 0.00 C ATOM 0 H THR A 13 9.961 -3.020 0.276 1.00 0.00 H new ATOM 0 HA THR A 13 11.081 -5.714 0.687 1.00 0.00 H new ATOM 0 HB THR A 13 12.675 -4.448 2.009 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.089 -5.224 4.122 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.927 -2.841 3.746 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.400 -2.328 2.126 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.238 -3.084 3.242 1.00 0.00 H new ATOM 207 N LEU A 14 8.750 -6.203 1.478 1.00 0.00 N ATOM 208 CA LEU A 14 7.355 -6.459 1.947 1.00 0.00 C ATOM 209 C LEU A 14 7.343 -6.412 3.474 1.00 0.00 C ATOM 210 O LEU A 14 8.033 -7.168 4.137 1.00 0.00 O ATOM 211 CB LEU A 14 6.862 -7.832 1.454 1.00 0.00 C ATOM 212 CG LEU A 14 7.581 -8.968 2.195 1.00 0.00 C ATOM 213 CD1 LEU A 14 6.683 -9.499 3.319 1.00 0.00 C ATOM 214 CD2 LEU A 14 7.890 -10.103 1.219 1.00 0.00 C ATOM 0 H LEU A 14 9.215 -6.996 1.036 1.00 0.00 H new ATOM 0 HA LEU A 14 6.687 -5.698 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.786 -7.914 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.037 -7.923 0.382 1.00 0.00 H new ATOM 0 HG LEU A 14 8.510 -8.587 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.195 -10.305 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.462 -8.693 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.753 -9.876 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.400 -10.908 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.960 -10.480 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.530 -9.731 0.419 1.00 0.00 H new ATOM 226 N ILE A 15 6.603 -5.501 4.041 1.00 0.00 N ATOM 227 CA ILE A 15 6.596 -5.395 5.531 1.00 0.00 C ATOM 228 C ILE A 15 5.233 -5.799 6.130 1.00 0.00 C ATOM 229 O ILE A 15 5.183 -6.363 7.208 1.00 0.00 O ATOM 230 CB ILE A 15 6.936 -3.954 5.940 1.00 0.00 C ATOM 231 CG1 ILE A 15 8.210 -3.496 5.213 1.00 0.00 C ATOM 232 CG2 ILE A 15 7.164 -3.889 7.453 1.00 0.00 C ATOM 233 CD1 ILE A 15 7.924 -2.211 4.434 1.00 0.00 C ATOM 0 H ILE A 15 6.010 -4.833 3.548 1.00 0.00 H new ATOM 0 HA ILE A 15 7.345 -6.084 5.921 1.00 0.00 H new ATOM 0 HB ILE A 15 6.108 -3.300 5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.010 -3.326 5.933 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.553 -4.276 4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.405 -2.866 7.741 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.260 -4.208 7.971 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.990 -4.547 7.725 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.829 -1.888 3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.137 -2.396 3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.602 -1.431 5.124 1.00 0.00 H new ATOM 245 N LYS A 16 4.139 -5.506 5.459 1.00 0.00 N ATOM 246 CA LYS A 16 2.781 -5.853 6.009 1.00 0.00 C ATOM 247 C LYS A 16 1.670 -5.296 5.098 1.00 0.00 C ATOM 248 O LYS A 16 1.225 -4.174 5.271 1.00 0.00 O ATOM 249 CB LYS A 16 2.620 -5.220 7.397 1.00 0.00 C ATOM 250 CG LYS A 16 1.766 -6.129 8.286 1.00 0.00 C ATOM 251 CD LYS A 16 2.672 -7.032 9.129 1.00 0.00 C ATOM 252 CE LYS A 16 1.878 -8.248 9.614 1.00 0.00 C ATOM 253 NZ LYS A 16 1.005 -7.855 10.757 1.00 0.00 N ATOM 0 H LYS A 16 4.127 -5.040 4.552 1.00 0.00 H new ATOM 0 HA LYS A 16 2.699 -6.938 6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.598 -5.066 7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.152 -4.240 7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.132 -5.526 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.103 -6.737 7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.529 -7.357 8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.064 -6.477 9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.271 -8.646 8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.560 -9.041 9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.467 -8.683 11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.593 -7.495 11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.345 -7.113 10.450 1.00 0.00 H new ATOM 267 N ALA A 17 1.201 -6.066 4.145 1.00 0.00 N ATOM 268 CA ALA A 17 0.107 -5.561 3.251 1.00 0.00 C ATOM 269 C ALA A 17 -1.162 -5.334 4.080 1.00 0.00 C ATOM 270 O ALA A 17 -1.424 -6.030 5.047 1.00 0.00 O ATOM 271 CB ALA A 17 -0.172 -6.577 2.141 1.00 0.00 C ATOM 0 H ALA A 17 1.524 -7.013 3.947 1.00 0.00 H new ATOM 0 HA ALA A 17 0.417 -4.620 2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.967 -6.203 1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.732 -6.729 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.479 -7.524 2.584 1.00 0.00 H new ATOM 277 N ILE A 18 -1.931 -4.339 3.717 1.00 0.00 N ATOM 278 CA ILE A 18 -3.171 -4.012 4.480 1.00 0.00 C ATOM 279 C ILE A 18 -4.400 -4.646 3.806 1.00 0.00 C ATOM 280 O ILE A 18 -4.919 -5.642 4.277 1.00 0.00 O ATOM 281 CB ILE A 18 -3.306 -2.485 4.532 1.00 0.00 C ATOM 282 CG1 ILE A 18 -2.334 -1.926 5.578 1.00 0.00 C ATOM 283 CG2 ILE A 18 -4.739 -2.086 4.908 1.00 0.00 C ATOM 284 CD1 ILE A 18 -1.216 -1.153 4.876 1.00 0.00 C ATOM 0 H ILE A 18 -1.750 -3.734 2.916 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.109 -4.414 5.491 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.073 -2.077 3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.864 -1.271 6.269 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.912 -2.739 6.169 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.817 -0.999 4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.433 -2.478 4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.986 -2.497 5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.525 -0.756 5.620 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.679 -1.821 4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.646 -0.330 4.304 1.00 0.00 H new ATOM 296 N ASP A 19 -4.878 -4.075 2.721 1.00 0.00 N ATOM 297 CA ASP A 19 -6.081 -4.636 2.033 1.00 0.00 C ATOM 298 C ASP A 19 -6.180 -4.064 0.613 1.00 0.00 C ATOM 299 O ASP A 19 -5.840 -2.919 0.366 1.00 0.00 O ATOM 300 CB ASP A 19 -7.341 -4.270 2.828 1.00 0.00 C ATOM 301 CG ASP A 19 -8.597 -4.729 2.075 1.00 0.00 C ATOM 302 OD1 ASP A 19 -8.837 -5.925 2.030 1.00 0.00 O ATOM 303 OD2 ASP A 19 -9.298 -3.874 1.559 1.00 0.00 O ATOM 0 H ASP A 19 -4.483 -3.242 2.284 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.992 -5.721 1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.307 -4.738 3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.378 -3.192 2.988 1.00 0.00 H new ATOM 308 N GLY A 20 -6.637 -4.865 -0.317 1.00 0.00 N ATOM 309 CA GLY A 20 -6.761 -4.412 -1.731 1.00 0.00 C ATOM 310 C GLY A 20 -5.361 -4.239 -2.306 1.00 0.00 C ATOM 311 O GLY A 20 -4.665 -5.201 -2.552 1.00 0.00 O ATOM 0 H GLY A 20 -6.933 -5.827 -0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.323 -5.141 -2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.310 -3.472 -1.781 1.00 0.00 H new ATOM 315 N ASP A 21 -4.941 -3.018 -2.491 1.00 0.00 N ATOM 316 CA ASP A 21 -3.567 -2.756 -3.026 1.00 0.00 C ATOM 317 C ASP A 21 -2.839 -1.748 -2.130 1.00 0.00 C ATOM 318 O ASP A 21 -1.791 -1.239 -2.492 1.00 0.00 O ATOM 319 CB ASP A 21 -3.661 -2.191 -4.446 1.00 0.00 C ATOM 320 CG ASP A 21 -2.801 -3.032 -5.397 1.00 0.00 C ATOM 321 OD1 ASP A 21 -1.595 -2.838 -5.404 1.00 0.00 O ATOM 322 OD2 ASP A 21 -3.362 -3.853 -6.102 1.00 0.00 O ATOM 0 H ASP A 21 -5.492 -2.182 -2.294 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.012 -3.694 -3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.698 -2.194 -4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.325 -1.154 -4.458 1.00 0.00 H new ATOM 327 N THR A 22 -3.369 -1.461 -0.960 1.00 0.00 N ATOM 328 CA THR A 22 -2.688 -0.494 -0.052 1.00 0.00 C ATOM 329 C THR A 22 -1.533 -1.232 0.643 1.00 0.00 C ATOM 330 O THR A 22 -1.757 -2.177 1.380 1.00 0.00 O ATOM 331 CB THR A 22 -3.667 0.029 1.007 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.983 0.091 0.471 1.00 0.00 O ATOM 333 CG2 THR A 22 -3.230 1.426 1.456 1.00 0.00 C ATOM 0 H THR A 22 -4.239 -1.855 -0.602 1.00 0.00 H new ATOM 0 HA THR A 22 -2.318 0.355 -0.627 1.00 0.00 H new ATOM 0 HB THR A 22 -3.665 -0.649 1.860 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.635 -0.051 1.188 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.924 1.800 2.209 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.227 1.375 1.881 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.227 2.099 0.599 1.00 0.00 H new ATOM 341 N VAL A 23 -0.305 -0.836 0.396 1.00 0.00 N ATOM 342 CA VAL A 23 0.852 -1.553 1.028 1.00 0.00 C ATOM 343 C VAL A 23 1.896 -0.563 1.554 1.00 0.00 C ATOM 344 O VAL A 23 2.249 0.389 0.884 1.00 0.00 O ATOM 345 CB VAL A 23 1.504 -2.480 -0.006 1.00 0.00 C ATOM 346 CG1 VAL A 23 0.626 -3.717 -0.210 1.00 0.00 C ATOM 347 CG2 VAL A 23 1.666 -1.744 -1.343 1.00 0.00 C ATOM 0 H VAL A 23 -0.055 -0.055 -0.210 1.00 0.00 H new ATOM 0 HA VAL A 23 0.476 -2.135 1.870 1.00 0.00 H new ATOM 0 HB VAL A 23 2.486 -2.783 0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.090 -4.375 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.519 -4.247 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.357 -3.410 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.130 -2.410 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.687 -1.433 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.296 -0.866 -1.201 1.00 0.00 H new ATOM 357 N LYS A 24 2.409 -0.812 2.747 1.00 0.00 N ATOM 358 CA LYS A 24 3.455 0.081 3.359 1.00 0.00 C ATOM 359 C LYS A 24 4.827 -0.238 2.729 1.00 0.00 C ATOM 360 O LYS A 24 5.808 -0.500 3.396 1.00 0.00 O ATOM 361 CB LYS A 24 3.451 -0.132 4.894 1.00 0.00 C ATOM 362 CG LYS A 24 4.190 -1.419 5.319 1.00 0.00 C ATOM 363 CD LYS A 24 3.459 -2.656 4.797 1.00 0.00 C ATOM 364 CE LYS A 24 4.039 -3.077 3.436 1.00 0.00 C ATOM 365 NZ LYS A 24 3.072 -3.951 2.706 1.00 0.00 N ATOM 0 H LYS A 24 2.142 -1.607 3.327 1.00 0.00 H new ATOM 0 HA LYS A 24 3.240 1.131 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.918 0.726 5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.421 -0.176 5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.210 -1.403 4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.260 -1.463 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.556 -3.474 5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.394 -2.444 4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.262 -2.193 2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.980 -3.608 3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.323 -3.979 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.109 -4.913 3.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.110 -3.570 2.813 1.00 0.00 H new ATOM 379 N LEU A 25 4.879 -0.231 1.424 1.00 0.00 N ATOM 380 CA LEU A 25 6.132 -0.567 0.699 1.00 0.00 C ATOM 381 C LEU A 25 7.115 0.612 0.720 1.00 0.00 C ATOM 382 O LEU A 25 6.885 1.640 0.120 1.00 0.00 O ATOM 383 CB LEU A 25 5.741 -0.916 -0.748 1.00 0.00 C ATOM 384 CG LEU A 25 6.906 -1.563 -1.498 1.00 0.00 C ATOM 385 CD1 LEU A 25 7.814 -0.468 -2.061 1.00 0.00 C ATOM 386 CD2 LEU A 25 7.697 -2.470 -0.551 1.00 0.00 C ATOM 0 H LEU A 25 4.089 -0.002 0.821 1.00 0.00 H new ATOM 0 HA LEU A 25 6.633 -1.408 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.888 -1.594 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.427 -0.012 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 25 6.520 -2.168 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.646 -0.925 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.244 0.161 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.200 0.141 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.525 -2.927 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.087 -1.879 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.042 -3.250 -0.163 1.00 0.00 H new ATOM 398 N MET A 26 8.231 0.449 1.399 1.00 0.00 N ATOM 399 CA MET A 26 9.248 1.545 1.446 1.00 0.00 C ATOM 400 C MET A 26 10.050 1.521 0.142 1.00 0.00 C ATOM 401 O MET A 26 10.442 0.471 -0.335 1.00 0.00 O ATOM 402 CB MET A 26 10.186 1.356 2.649 1.00 0.00 C ATOM 403 CG MET A 26 10.925 0.018 2.554 1.00 0.00 C ATOM 404 SD MET A 26 12.306 0.011 3.725 1.00 0.00 S ATOM 405 CE MET A 26 11.332 -0.233 5.231 1.00 0.00 C ATOM 0 H MET A 26 8.477 -0.393 1.919 1.00 0.00 H new ATOM 0 HA MET A 26 8.747 2.507 1.557 1.00 0.00 H new ATOM 0 HB2 MET A 26 10.906 2.173 2.687 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.611 1.395 3.574 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.243 -0.803 2.774 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.293 -0.136 1.540 1.00 0.00 H new ATOM 0 HE1 MET A 26 11.450 0.631 5.885 1.00 0.00 H new ATOM 0 HE2 MET A 26 10.280 -0.349 4.969 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.679 -1.128 5.747 1.00 0.00 H new ATOM 415 N TYR A 27 10.283 2.665 -0.446 1.00 0.00 N ATOM 416 CA TYR A 27 11.046 2.696 -1.737 1.00 0.00 C ATOM 417 C TYR A 27 12.542 2.727 -1.452 1.00 0.00 C ATOM 418 O TYR A 27 13.246 1.772 -1.729 1.00 0.00 O ATOM 419 CB TYR A 27 10.651 3.905 -2.618 1.00 0.00 C ATOM 420 CG TYR A 27 9.754 4.867 -1.867 1.00 0.00 C ATOM 421 CD1 TYR A 27 8.385 4.596 -1.737 1.00 0.00 C ATOM 422 CD2 TYR A 27 10.296 6.026 -1.302 1.00 0.00 C ATOM 423 CE1 TYR A 27 7.560 5.487 -1.039 1.00 0.00 C ATOM 424 CE2 TYR A 27 9.472 6.916 -0.604 1.00 0.00 C ATOM 425 CZ TYR A 27 8.104 6.647 -0.472 1.00 0.00 C ATOM 426 OH TYR A 27 7.293 7.526 0.217 1.00 0.00 O ATOM 0 H TYR A 27 9.982 3.574 -0.095 1.00 0.00 H new ATOM 0 HA TYR A 27 10.793 1.792 -2.291 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.550 4.426 -2.948 1.00 0.00 H new ATOM 0 HB3 TYR A 27 10.140 3.553 -3.514 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.967 3.701 -2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.351 6.234 -1.404 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.505 5.280 -0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.891 7.810 -0.167 1.00 0.00 H new ATOM 0 HH TYR A 27 7.443 8.437 -0.113 1.00 0.00 H new ATOM 436 N LYS A 28 13.028 3.800 -0.895 1.00 0.00 N ATOM 437 CA LYS A 28 14.484 3.887 -0.582 1.00 0.00 C ATOM 438 C LYS A 28 14.755 5.164 0.202 1.00 0.00 C ATOM 439 O LYS A 28 15.677 5.912 -0.081 1.00 0.00 O ATOM 440 CB LYS A 28 15.305 3.871 -1.881 1.00 0.00 C ATOM 441 CG LYS A 28 16.698 3.296 -1.604 1.00 0.00 C ATOM 442 CD LYS A 28 16.676 1.777 -1.794 1.00 0.00 C ATOM 443 CE LYS A 28 18.048 1.195 -1.444 1.00 0.00 C ATOM 444 NZ LYS A 28 18.705 0.679 -2.679 1.00 0.00 N ATOM 0 H LYS A 28 12.480 4.623 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 28 14.778 3.028 0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 28 14.797 3.271 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 28 15.391 4.881 -2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.428 3.746 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.008 3.541 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.909 1.332 -1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.419 1.533 -2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.671 1.960 -0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.938 0.391 -0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.637 0.284 -2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.113 -0.064 -3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.824 1.456 -3.360 1.00 0.00 H new ATOM 458 N GLY A 29 13.952 5.406 1.197 1.00 0.00 N ATOM 459 CA GLY A 29 14.143 6.631 2.031 1.00 0.00 C ATOM 460 C GLY A 29 12.901 6.926 2.879 1.00 0.00 C ATOM 461 O GLY A 29 12.970 7.697 3.820 1.00 0.00 O ATOM 0 H GLY A 29 13.170 4.811 1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.007 6.499 2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.356 7.483 1.386 1.00 0.00 H new ATOM 465 N GLN A 30 11.767 6.338 2.563 1.00 0.00 N ATOM 466 CA GLN A 30 10.542 6.619 3.371 1.00 0.00 C ATOM 467 C GLN A 30 9.521 5.480 3.228 1.00 0.00 C ATOM 468 O GLN A 30 8.821 5.399 2.233 1.00 0.00 O ATOM 469 CB GLN A 30 9.915 7.936 2.900 1.00 0.00 C ATOM 470 CG GLN A 30 8.909 8.431 3.944 1.00 0.00 C ATOM 471 CD GLN A 30 8.425 9.834 3.569 1.00 0.00 C ATOM 472 OE1 GLN A 30 8.816 10.808 4.182 1.00 0.00 O ATOM 473 NE2 GLN A 30 7.584 9.981 2.580 1.00 0.00 N ATOM 0 H GLN A 30 11.641 5.685 1.790 1.00 0.00 H new ATOM 0 HA GLN A 30 10.825 6.697 4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.692 8.685 2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.417 7.791 1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.062 7.747 4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.372 8.447 4.931 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.255 9.165 2.065 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.256 10.912 2.323 1.00 0.00 H new ATOM 482 N PRO A 31 9.446 4.647 4.247 1.00 0.00 N ATOM 483 CA PRO A 31 8.491 3.522 4.278 1.00 0.00 C ATOM 484 C PRO A 31 7.068 4.084 4.325 1.00 0.00 C ATOM 485 O PRO A 31 6.654 4.652 5.323 1.00 0.00 O ATOM 486 CB PRO A 31 8.822 2.757 5.569 1.00 0.00 C ATOM 487 CG PRO A 31 9.940 3.540 6.305 1.00 0.00 C ATOM 488 CD PRO A 31 10.310 4.754 5.438 1.00 0.00 C ATOM 0 HA PRO A 31 8.560 2.873 3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.937 2.669 6.200 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.152 1.744 5.340 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.597 3.863 7.288 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.811 2.904 6.464 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.134 5.688 5.971 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.365 4.737 5.164 1.00 0.00 H new ATOM 496 N MET A 32 6.327 3.961 3.250 1.00 0.00 N ATOM 497 CA MET A 32 4.938 4.526 3.238 1.00 0.00 C ATOM 498 C MET A 32 3.940 3.518 2.660 1.00 0.00 C ATOM 499 O MET A 32 4.308 2.598 1.954 1.00 0.00 O ATOM 500 CB MET A 32 4.919 5.795 2.382 1.00 0.00 C ATOM 501 CG MET A 32 5.644 6.926 3.115 1.00 0.00 C ATOM 502 SD MET A 32 4.486 7.771 4.221 1.00 0.00 S ATOM 503 CE MET A 32 3.858 8.972 3.020 1.00 0.00 C ATOM 0 H MET A 32 6.618 3.499 2.388 1.00 0.00 H new ATOM 0 HA MET A 32 4.648 4.753 4.264 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.400 5.605 1.422 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.890 6.087 2.171 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.482 6.525 3.686 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.058 7.633 2.396 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.033 9.982 3.390 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.374 8.840 2.069 1.00 0.00 H new ATOM 0 HE3 MET A 32 2.789 8.818 2.877 1.00 0.00 H new ATOM 513 N THR A 33 2.672 3.704 2.953 1.00 0.00 N ATOM 514 CA THR A 33 1.621 2.782 2.423 1.00 0.00 C ATOM 515 C THR A 33 0.943 3.433 1.214 1.00 0.00 C ATOM 516 O THR A 33 0.531 4.578 1.271 1.00 0.00 O ATOM 517 CB THR A 33 0.588 2.477 3.523 1.00 0.00 C ATOM 518 OG1 THR A 33 -0.303 1.469 3.064 1.00 0.00 O ATOM 519 CG2 THR A 33 -0.208 3.739 3.876 1.00 0.00 C ATOM 0 H THR A 33 2.321 4.461 3.540 1.00 0.00 H new ATOM 0 HA THR A 33 2.078 1.843 2.112 1.00 0.00 H new ATOM 0 HB THR A 33 1.112 2.132 4.414 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.067 0.586 3.273 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.934 3.505 4.655 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.473 4.511 4.234 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.730 4.099 2.990 1.00 0.00 H new ATOM 527 N PHE A 34 0.835 2.721 0.110 1.00 0.00 N ATOM 528 CA PHE A 34 0.192 3.329 -1.095 1.00 0.00 C ATOM 529 C PHE A 34 -0.398 2.261 -2.018 1.00 0.00 C ATOM 530 O PHE A 34 -0.349 1.076 -1.735 1.00 0.00 O ATOM 531 CB PHE A 34 1.205 4.165 -1.874 1.00 0.00 C ATOM 532 CG PHE A 34 2.554 3.486 -1.936 1.00 0.00 C ATOM 533 CD1 PHE A 34 3.407 3.531 -0.831 1.00 0.00 C ATOM 534 CD2 PHE A 34 2.964 2.848 -3.109 1.00 0.00 C ATOM 535 CE1 PHE A 34 4.667 2.940 -0.897 1.00 0.00 C ATOM 536 CE2 PHE A 34 4.225 2.253 -3.173 1.00 0.00 C ATOM 537 CZ PHE A 34 5.078 2.301 -2.069 1.00 0.00 C ATOM 0 H PHE A 34 1.160 1.761 -0.003 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.619 3.967 -0.743 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.836 4.336 -2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.310 5.143 -1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.090 4.024 0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.306 2.815 -3.965 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.326 2.976 -0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.541 1.755 -4.078 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.055 1.844 -2.121 1.00 0.00 H new ATOM 547 N ARG A 35 -0.966 2.690 -3.122 1.00 0.00 N ATOM 548 CA ARG A 35 -1.588 1.731 -4.088 1.00 0.00 C ATOM 549 C ARG A 35 -1.229 2.111 -5.528 1.00 0.00 C ATOM 550 O ARG A 35 -0.709 3.182 -5.790 1.00 0.00 O ATOM 551 CB ARG A 35 -3.113 1.768 -3.937 1.00 0.00 C ATOM 552 CG ARG A 35 -3.501 1.504 -2.482 1.00 0.00 C ATOM 553 CD ARG A 35 -4.182 2.741 -1.894 1.00 0.00 C ATOM 554 NE ARG A 35 -5.399 2.323 -1.142 1.00 0.00 N ATOM 555 CZ ARG A 35 -5.999 3.160 -0.338 1.00 0.00 C ATOM 556 NH1 ARG A 35 -6.486 4.279 -0.805 1.00 0.00 N ATOM 557 NH2 ARG A 35 -6.120 2.874 0.932 1.00 0.00 N ATOM 0 H ARG A 35 -1.025 3.671 -3.395 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.210 0.731 -3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.495 2.739 -4.253 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.569 1.020 -4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.172 0.647 -2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.614 1.254 -1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.495 3.268 -1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.453 3.434 -2.690 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.766 1.378 -1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.398 4.499 -1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.954 4.933 -0.177 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.746 1.997 1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.588 3.528 1.560 1.00 0.00 H new ATOM 571 N LEU A 36 -1.531 1.237 -6.464 1.00 0.00 N ATOM 572 CA LEU A 36 -1.245 1.528 -7.904 1.00 0.00 C ATOM 573 C LEU A 36 -2.036 2.786 -8.285 1.00 0.00 C ATOM 574 O LEU A 36 -1.485 3.862 -8.427 1.00 0.00 O ATOM 575 CB LEU A 36 -1.692 0.340 -8.779 1.00 0.00 C ATOM 576 CG LEU A 36 -1.230 -0.991 -8.170 1.00 0.00 C ATOM 577 CD1 LEU A 36 -1.703 -2.147 -9.054 1.00 0.00 C ATOM 578 CD2 LEU A 36 0.298 -1.019 -8.077 1.00 0.00 C ATOM 0 H LEU A 36 -1.965 0.331 -6.288 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.178 1.683 -8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.778 0.343 -8.877 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.281 0.447 -9.783 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.654 -1.093 -7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.375 -3.093 -8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.791 -2.135 -9.118 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.280 -2.038 -10.053 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.619 -1.966 -7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.725 -0.913 -9.074 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.639 -0.198 -7.447 1.00 0.00 H new ATOM 590 N LEU A 37 -3.335 2.654 -8.390 1.00 0.00 N ATOM 591 CA LEU A 37 -4.213 3.818 -8.695 1.00 0.00 C ATOM 592 C LEU A 37 -5.209 3.908 -7.535 1.00 0.00 C ATOM 593 O LEU A 37 -6.404 3.739 -7.705 1.00 0.00 O ATOM 594 CB LEU A 37 -4.944 3.586 -10.025 1.00 0.00 C ATOM 595 CG LEU A 37 -5.459 4.922 -10.570 1.00 0.00 C ATOM 596 CD1 LEU A 37 -4.648 5.320 -11.806 1.00 0.00 C ATOM 597 CD2 LEU A 37 -6.935 4.781 -10.954 1.00 0.00 C ATOM 0 H LEU A 37 -3.830 1.770 -8.274 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.645 4.743 -8.796 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.270 3.124 -10.746 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.776 2.897 -9.879 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.352 5.690 -9.804 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.016 6.271 -12.192 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.597 5.421 -11.535 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.753 4.552 -12.573 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.302 5.731 -11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.040 4.012 -11.719 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.514 4.500 -10.075 1.00 0.00 H new ATOM 609 N LEU A 38 -4.684 4.107 -6.338 1.00 0.00 N ATOM 610 CA LEU A 38 -5.523 4.145 -5.092 1.00 0.00 C ATOM 611 C LEU A 38 -6.546 3.004 -5.146 1.00 0.00 C ATOM 612 O LEU A 38 -7.723 3.175 -4.882 1.00 0.00 O ATOM 613 CB LEU A 38 -6.208 5.509 -4.873 1.00 0.00 C ATOM 614 CG LEU A 38 -6.590 6.190 -6.196 1.00 0.00 C ATOM 615 CD1 LEU A 38 -8.025 5.816 -6.575 1.00 0.00 C ATOM 616 CD2 LEU A 38 -6.497 7.709 -6.022 1.00 0.00 C ATOM 0 H LEU A 38 -3.687 4.247 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.866 4.008 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.103 5.370 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.541 6.162 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.911 5.861 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.292 6.301 -7.514 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.101 4.735 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.706 6.145 -5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.767 8.200 -6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.180 8.028 -5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.478 7.982 -5.750 1.00 0.00 H new ATOM 628 N VAL A 39 -6.067 1.835 -5.514 1.00 0.00 N ATOM 629 CA VAL A 39 -6.924 0.608 -5.637 1.00 0.00 C ATOM 630 C VAL A 39 -7.947 0.471 -4.487 1.00 0.00 C ATOM 631 O VAL A 39 -9.026 -0.057 -4.688 1.00 0.00 O ATOM 632 CB VAL A 39 -6.000 -0.615 -5.621 1.00 0.00 C ATOM 633 CG1 VAL A 39 -6.836 -1.901 -5.645 1.00 0.00 C ATOM 634 CG2 VAL A 39 -5.087 -0.584 -6.852 1.00 0.00 C ATOM 0 H VAL A 39 -5.085 1.677 -5.741 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.491 0.685 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.396 -0.593 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.173 -2.766 -5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.485 -1.929 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.445 -1.922 -6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.430 -1.454 -6.840 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.695 -0.601 -7.756 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.486 0.325 -6.836 1.00 0.00 H new ATOM 870 N TYR A 54 -13.182 -7.415 -1.514 1.00 0.00 N ATOM 871 CA TYR A 54 -12.036 -6.454 -1.520 1.00 0.00 C ATOM 872 C TYR A 54 -10.814 -7.113 -2.171 1.00 0.00 C ATOM 873 O TYR A 54 -10.083 -6.480 -2.910 1.00 0.00 O ATOM 874 CB TYR A 54 -11.692 -6.053 -0.079 1.00 0.00 C ATOM 875 CG TYR A 54 -11.962 -4.577 0.121 1.00 0.00 C ATOM 876 CD1 TYR A 54 -11.502 -3.642 -0.816 1.00 0.00 C ATOM 877 CD2 TYR A 54 -12.670 -4.145 1.250 1.00 0.00 C ATOM 878 CE1 TYR A 54 -11.752 -2.279 -0.625 1.00 0.00 C ATOM 879 CE2 TYR A 54 -12.918 -2.780 1.441 1.00 0.00 C ATOM 880 CZ TYR A 54 -12.459 -1.847 0.503 1.00 0.00 C ATOM 881 OH TYR A 54 -12.702 -0.502 0.692 1.00 0.00 O ATOM 0 HA TYR A 54 -12.315 -5.566 -2.087 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.286 -6.639 0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.645 -6.272 0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.954 -3.974 -1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.025 -4.865 1.973 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.399 -1.559 -1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -13.463 -2.447 2.312 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.205 -0.374 1.523 1.00 0.00 H new ATOM 891 N GLY A 55 -10.595 -8.381 -1.903 1.00 0.00 N ATOM 892 CA GLY A 55 -9.427 -9.099 -2.500 1.00 0.00 C ATOM 893 C GLY A 55 -9.937 -10.187 -3.455 1.00 0.00 C ATOM 894 O GLY A 55 -10.428 -11.208 -3.010 1.00 0.00 O ATOM 0 H GLY A 55 -11.181 -8.950 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.789 -8.397 -3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.818 -9.545 -1.713 1.00 0.00 H new ATOM 898 N PRO A 56 -9.809 -9.930 -4.743 1.00 0.00 N ATOM 899 CA PRO A 56 -10.257 -10.877 -5.790 1.00 0.00 C ATOM 900 C PRO A 56 -9.370 -12.135 -5.795 1.00 0.00 C ATOM 901 O PRO A 56 -8.720 -12.455 -4.814 1.00 0.00 O ATOM 902 CB PRO A 56 -10.093 -10.098 -7.108 1.00 0.00 C ATOM 903 CG PRO A 56 -9.411 -8.746 -6.777 1.00 0.00 C ATOM 904 CD PRO A 56 -9.217 -8.679 -5.256 1.00 0.00 C ATOM 0 HA PRO A 56 -11.280 -11.218 -5.632 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.490 -10.667 -7.816 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.063 -9.932 -7.577 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.452 -8.667 -7.288 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.025 -7.914 -7.121 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.161 -8.605 -4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.712 -7.805 -4.833 1.00 0.00 H new ATOM 912 N GLU A 57 -9.334 -12.845 -6.899 1.00 0.00 N ATOM 913 CA GLU A 57 -8.487 -14.070 -6.991 1.00 0.00 C ATOM 914 C GLU A 57 -7.496 -13.894 -8.146 1.00 0.00 C ATOM 915 O GLU A 57 -6.304 -13.763 -7.935 1.00 0.00 O ATOM 916 CB GLU A 57 -9.375 -15.294 -7.243 1.00 0.00 C ATOM 917 CG GLU A 57 -8.503 -16.468 -7.697 1.00 0.00 C ATOM 918 CD GLU A 57 -9.282 -17.780 -7.554 1.00 0.00 C ATOM 919 OE1 GLU A 57 -9.304 -18.319 -6.458 1.00 0.00 O ATOM 920 OE2 GLU A 57 -9.840 -18.227 -8.542 1.00 0.00 O ATOM 0 H GLU A 57 -9.860 -12.624 -7.744 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.943 -14.220 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.916 -15.558 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.122 -15.065 -8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.198 -16.327 -8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.592 -16.508 -7.100 1.00 0.00 H new ATOM 927 N ALA A 58 -7.990 -13.872 -9.364 1.00 0.00 N ATOM 928 CA ALA A 58 -7.100 -13.685 -10.545 1.00 0.00 C ATOM 929 C ALA A 58 -6.574 -12.250 -10.535 1.00 0.00 C ATOM 930 O ALA A 58 -5.442 -12.002 -10.882 1.00 0.00 O ATOM 931 CB ALA A 58 -7.889 -13.935 -11.833 1.00 0.00 C ATOM 0 H ALA A 58 -8.980 -13.977 -9.586 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.269 -14.388 -10.499 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.234 -13.797 -12.693 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.276 -14.954 -11.831 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.720 -13.232 -11.893 1.00 0.00 H new ATOM 937 N SER A 59 -7.395 -11.307 -10.126 1.00 0.00 N ATOM 938 CA SER A 59 -6.957 -9.882 -10.068 1.00 0.00 C ATOM 939 C SER A 59 -6.162 -9.628 -8.773 1.00 0.00 C ATOM 940 O SER A 59 -5.379 -8.699 -8.698 1.00 0.00 O ATOM 941 CB SER A 59 -8.185 -8.967 -10.098 1.00 0.00 C ATOM 942 OG SER A 59 -8.617 -8.806 -11.443 1.00 0.00 O ATOM 0 H SER A 59 -8.357 -11.471 -9.829 1.00 0.00 H new ATOM 0 HA SER A 59 -6.321 -9.670 -10.927 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.986 -9.394 -9.495 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.941 -7.998 -9.663 1.00 0.00 H new ATOM 0 HG SER A 59 -9.404 -8.222 -11.466 1.00 0.00 H new ATOM 948 N ALA A 60 -6.360 -10.445 -7.753 1.00 0.00 N ATOM 949 CA ALA A 60 -5.620 -10.245 -6.464 1.00 0.00 C ATOM 950 C ALA A 60 -4.159 -10.697 -6.604 1.00 0.00 C ATOM 951 O ALA A 60 -3.320 -10.340 -5.797 1.00 0.00 O ATOM 952 CB ALA A 60 -6.294 -11.056 -5.357 1.00 0.00 C ATOM 0 H ALA A 60 -7.002 -11.238 -7.763 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.639 -9.184 -6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.756 -10.910 -4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.325 -10.723 -5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.282 -12.113 -5.622 1.00 0.00 H new ATOM 958 N PHE A 61 -3.846 -11.476 -7.615 1.00 0.00 N ATOM 959 CA PHE A 61 -2.437 -11.945 -7.805 1.00 0.00 C ATOM 960 C PHE A 61 -1.496 -10.738 -8.001 1.00 0.00 C ATOM 961 O PHE A 61 -0.308 -10.821 -7.750 1.00 0.00 O ATOM 962 CB PHE A 61 -2.382 -12.891 -9.020 1.00 0.00 C ATOM 963 CG PHE A 61 -2.188 -12.128 -10.318 1.00 0.00 C ATOM 964 CD1 PHE A 61 -3.013 -11.042 -10.643 1.00 0.00 C ATOM 965 CD2 PHE A 61 -1.178 -12.521 -11.202 1.00 0.00 C ATOM 966 CE1 PHE A 61 -2.824 -10.352 -11.845 1.00 0.00 C ATOM 967 CE2 PHE A 61 -0.989 -11.831 -12.405 1.00 0.00 C ATOM 968 CZ PHE A 61 -1.811 -10.746 -12.727 1.00 0.00 C ATOM 0 H PHE A 61 -4.508 -11.807 -8.317 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.105 -12.486 -6.919 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.566 -13.602 -8.891 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.304 -13.470 -9.073 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.796 -10.738 -9.964 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.542 -13.359 -10.956 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.460 -9.515 -12.093 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.208 -12.137 -13.085 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.664 -10.213 -13.655 1.00 0.00 H new ATOM 978 N THR A 62 -2.032 -9.622 -8.440 1.00 0.00 N ATOM 979 CA THR A 62 -1.206 -8.396 -8.657 1.00 0.00 C ATOM 980 C THR A 62 -0.991 -7.677 -7.316 1.00 0.00 C ATOM 981 O THR A 62 0.095 -7.211 -7.023 1.00 0.00 O ATOM 982 CB THR A 62 -1.937 -7.473 -9.656 1.00 0.00 C ATOM 983 OG1 THR A 62 -1.399 -7.669 -10.959 1.00 0.00 O ATOM 984 CG2 THR A 62 -1.782 -6.000 -9.257 1.00 0.00 C ATOM 0 H THR A 62 -3.022 -9.511 -8.659 1.00 0.00 H new ATOM 0 HA THR A 62 -0.232 -8.665 -9.065 1.00 0.00 H new ATOM 0 HB THR A 62 -2.998 -7.723 -9.647 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.783 -8.480 -11.353 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.306 -5.371 -9.977 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.205 -5.845 -8.264 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.725 -5.735 -9.246 1.00 0.00 H new ATOM 992 N LYS A 63 -2.024 -7.574 -6.509 1.00 0.00 N ATOM 993 CA LYS A 63 -1.897 -6.874 -5.194 1.00 0.00 C ATOM 994 C LYS A 63 -0.980 -7.670 -4.249 1.00 0.00 C ATOM 995 O LYS A 63 -0.200 -7.095 -3.512 1.00 0.00 O ATOM 996 CB LYS A 63 -3.293 -6.690 -4.576 1.00 0.00 C ATOM 997 CG LYS A 63 -3.714 -7.935 -3.784 1.00 0.00 C ATOM 998 CD LYS A 63 -5.239 -7.962 -3.642 1.00 0.00 C ATOM 999 CE LYS A 63 -5.617 -8.239 -2.183 1.00 0.00 C ATOM 1000 NZ LYS A 63 -5.776 -9.707 -1.977 1.00 0.00 N ATOM 0 H LYS A 63 -2.952 -7.947 -6.709 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.447 -5.893 -5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.292 -5.820 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.020 -6.493 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.370 -8.836 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.247 -7.927 -2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.661 -7.009 -3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.661 -8.731 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.847 -7.850 -1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.545 -7.724 -1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.016 -9.894 -0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.537 -10.063 -2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.886 -10.189 -2.215 1.00 0.00 H new ATOM 1014 N LYS A 64 -1.061 -8.982 -4.276 1.00 0.00 N ATOM 1015 CA LYS A 64 -0.192 -9.813 -3.393 1.00 0.00 C ATOM 1016 C LYS A 64 1.203 -9.951 -4.012 1.00 0.00 C ATOM 1017 O LYS A 64 2.122 -10.400 -3.357 1.00 0.00 O ATOM 1018 CB LYS A 64 -0.804 -11.209 -3.225 1.00 0.00 C ATOM 1019 CG LYS A 64 -1.956 -11.168 -2.215 1.00 0.00 C ATOM 1020 CD LYS A 64 -1.587 -10.283 -1.021 1.00 0.00 C ATOM 1021 CE LYS A 64 -2.515 -10.594 0.157 1.00 0.00 C ATOM 1022 NZ LYS A 64 -2.363 -9.543 1.204 1.00 0.00 N ATOM 0 H LYS A 64 -1.695 -9.510 -4.875 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.114 -9.327 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.167 -11.572 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.040 -11.910 -2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.856 -10.785 -2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.183 -12.177 -1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.550 -10.456 -0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.671 -9.231 -1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.550 -10.636 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.276 -11.573 0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.127 -9.636 1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.444 -9.656 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.411 -8.603 0.762 1.00 0.00 H new ATOM 1036 N MET A 65 1.364 -9.573 -5.264 1.00 0.00 N ATOM 1037 CA MET A 65 2.697 -9.683 -5.933 1.00 0.00 C ATOM 1038 C MET A 65 3.787 -9.043 -5.059 1.00 0.00 C ATOM 1039 O MET A 65 4.891 -9.544 -4.987 1.00 0.00 O ATOM 1040 CB MET A 65 2.648 -8.972 -7.290 1.00 0.00 C ATOM 1041 CG MET A 65 3.702 -9.572 -8.225 1.00 0.00 C ATOM 1042 SD MET A 65 3.363 -11.334 -8.470 1.00 0.00 S ATOM 1043 CE MET A 65 4.867 -11.969 -7.690 1.00 0.00 C ATOM 0 H MET A 65 0.622 -9.191 -5.850 1.00 0.00 H new ATOM 0 HA MET A 65 2.934 -10.737 -6.077 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.656 -9.076 -7.730 1.00 0.00 H new ATOM 0 HB3 MET A 65 2.829 -7.905 -7.159 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.691 -9.052 -9.183 1.00 0.00 H new ATOM 0 HG3 MET A 65 4.697 -9.438 -7.801 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.695 -12.989 -7.345 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.682 -11.963 -8.413 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.131 -11.338 -6.841 1.00 0.00 H new ATOM 1053 N LEU A 66 3.483 -7.948 -4.395 1.00 0.00 N ATOM 1054 CA LEU A 66 4.506 -7.281 -3.528 1.00 0.00 C ATOM 1055 C LEU A 66 4.414 -7.792 -2.079 1.00 0.00 C ATOM 1056 O LEU A 66 5.283 -7.516 -1.272 1.00 0.00 O ATOM 1057 CB LEU A 66 4.306 -5.752 -3.570 1.00 0.00 C ATOM 1058 CG LEU A 66 3.183 -5.319 -2.610 1.00 0.00 C ATOM 1059 CD1 LEU A 66 3.786 -4.569 -1.415 1.00 0.00 C ATOM 1060 CD2 LEU A 66 2.209 -4.388 -3.343 1.00 0.00 C ATOM 0 H LEU A 66 2.572 -7.490 -4.418 1.00 0.00 H new ATOM 0 HA LEU A 66 5.498 -7.524 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.236 -5.252 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.062 -5.441 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 66 2.653 -6.205 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.989 -4.264 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.480 -5.223 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.318 -3.686 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.415 -4.083 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.744 -3.506 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.775 -4.913 -4.194 1.00 0.00 H new ATOM 1072 N GLU A 67 3.385 -8.539 -1.745 1.00 0.00 N ATOM 1073 CA GLU A 67 3.258 -9.069 -0.360 1.00 0.00 C ATOM 1074 C GLU A 67 4.087 -10.355 -0.237 1.00 0.00 C ATOM 1075 O GLU A 67 4.679 -10.634 0.789 1.00 0.00 O ATOM 1076 CB GLU A 67 1.767 -9.334 -0.082 1.00 0.00 C ATOM 1077 CG GLU A 67 1.585 -10.522 0.865 1.00 0.00 C ATOM 1078 CD GLU A 67 1.623 -10.038 2.320 1.00 0.00 C ATOM 1079 OE1 GLU A 67 2.707 -9.985 2.880 1.00 0.00 O ATOM 1080 OE2 GLU A 67 0.568 -9.727 2.849 1.00 0.00 O ATOM 0 H GLU A 67 2.630 -8.801 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 67 3.633 -8.354 0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.312 -8.445 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.248 -9.530 -1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.636 -11.018 0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.372 -11.257 0.696 1.00 0.00 H new ATOM 1087 N ASN A 68 4.098 -11.145 -1.283 1.00 0.00 N ATOM 1088 CA ASN A 68 4.844 -12.446 -1.266 1.00 0.00 C ATOM 1089 C ASN A 68 6.257 -12.307 -1.871 1.00 0.00 C ATOM 1090 O ASN A 68 7.175 -12.989 -1.454 1.00 0.00 O ATOM 1091 CB ASN A 68 4.037 -13.484 -2.063 1.00 0.00 C ATOM 1092 CG ASN A 68 4.271 -13.311 -3.572 1.00 0.00 C ATOM 1093 OD1 ASN A 68 4.907 -14.138 -4.194 1.00 0.00 O ATOM 1094 ND2 ASN A 68 3.785 -12.266 -4.197 1.00 0.00 N ATOM 0 H ASN A 68 3.616 -10.943 -2.159 1.00 0.00 H new ATOM 0 HA ASN A 68 4.964 -12.763 -0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.327 -14.490 -1.758 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.976 -13.376 -1.840 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.942 -12.152 -5.198 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.250 -11.567 -3.682 1.00 0.00 H new ATOM 1101 N ALA A 69 6.434 -11.452 -2.854 1.00 0.00 N ATOM 1102 CA ALA A 69 7.785 -11.293 -3.495 1.00 0.00 C ATOM 1103 C ALA A 69 8.780 -10.665 -2.514 1.00 0.00 C ATOM 1104 O ALA A 69 8.403 -10.009 -1.561 1.00 0.00 O ATOM 1105 CB ALA A 69 7.650 -10.406 -4.729 1.00 0.00 C ATOM 0 H ALA A 69 5.702 -10.857 -3.241 1.00 0.00 H new ATOM 0 HA ALA A 69 8.159 -12.276 -3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.626 -10.286 -5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.961 -10.868 -5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.267 -9.429 -4.435 1.00 0.00 H new ATOM 1111 N LYS A 70 10.055 -10.861 -2.760 1.00 0.00 N ATOM 1112 CA LYS A 70 11.106 -10.279 -1.861 1.00 0.00 C ATOM 1113 C LYS A 70 11.700 -9.039 -2.531 1.00 0.00 C ATOM 1114 O LYS A 70 11.883 -8.014 -1.900 1.00 0.00 O ATOM 1115 CB LYS A 70 12.217 -11.309 -1.575 1.00 0.00 C ATOM 1116 CG LYS A 70 12.527 -12.148 -2.822 1.00 0.00 C ATOM 1117 CD LYS A 70 11.778 -13.483 -2.746 1.00 0.00 C ATOM 1118 CE LYS A 70 12.519 -14.438 -1.805 1.00 0.00 C ATOM 1119 NZ LYS A 70 13.223 -15.482 -2.603 1.00 0.00 N ATOM 0 H LYS A 70 10.415 -11.401 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 70 10.650 -10.005 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.119 -10.793 -1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.909 -11.964 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.232 -11.605 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.600 -12.326 -2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.761 -13.321 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.700 -13.924 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.236 -13.884 -1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.815 -14.906 -1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.725 -16.129 -1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.529 -16.018 -3.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.906 -15.028 -3.242 1.00 0.00 H new ATOM 1133 N LYS A 71 11.960 -9.116 -3.814 1.00 0.00 N ATOM 1134 CA LYS A 71 12.497 -7.933 -4.549 1.00 0.00 C ATOM 1135 C LYS A 71 11.293 -7.086 -4.953 1.00 0.00 C ATOM 1136 O LYS A 71 10.306 -7.618 -5.415 1.00 0.00 O ATOM 1137 CB LYS A 71 13.261 -8.388 -5.801 1.00 0.00 C ATOM 1138 CG LYS A 71 14.337 -9.410 -5.416 1.00 0.00 C ATOM 1139 CD LYS A 71 15.419 -8.731 -4.571 1.00 0.00 C ATOM 1140 CE LYS A 71 16.426 -9.777 -4.083 1.00 0.00 C ATOM 1141 NZ LYS A 71 15.776 -10.678 -3.086 1.00 0.00 N ATOM 0 H LYS A 71 11.822 -9.951 -4.383 1.00 0.00 H new ATOM 0 HA LYS A 71 13.188 -7.366 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.569 -8.829 -6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.722 -7.529 -6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.888 -10.231 -4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.781 -9.840 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.929 -7.969 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.964 -8.225 -3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.796 -10.360 -4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.288 -9.284 -3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.432 -10.855 -2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.912 -10.227 -2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.530 -11.580 -3.542 1.00 0.00 H new ATOM 1155 N ILE A 72 11.342 -5.790 -4.762 1.00 0.00 N ATOM 1156 CA ILE A 72 10.163 -4.949 -5.119 1.00 0.00 C ATOM 1157 C ILE A 72 10.616 -3.722 -5.889 1.00 0.00 C ATOM 1158 O ILE A 72 11.021 -2.726 -5.325 1.00 0.00 O ATOM 1159 CB ILE A 72 9.445 -4.518 -3.843 1.00 0.00 C ATOM 1160 CG1 ILE A 72 8.687 -5.709 -3.247 1.00 0.00 C ATOM 1161 CG2 ILE A 72 8.458 -3.386 -4.150 1.00 0.00 C ATOM 1162 CD1 ILE A 72 8.873 -5.737 -1.732 1.00 0.00 C ATOM 0 H ILE A 72 12.140 -5.284 -4.378 1.00 0.00 H new ATOM 0 HA ILE A 72 9.483 -5.528 -5.744 1.00 0.00 H new ATOM 0 HB ILE A 72 10.185 -4.162 -3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.627 -5.636 -3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.051 -6.639 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.951 -3.086 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.999 -2.533 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.721 -3.732 -4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.332 -6.586 -1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.933 -5.832 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.487 -4.813 -1.301 1.00 0.00 H new ATOM 1174 N GLU A 73 10.525 -3.795 -7.175 1.00 0.00 N ATOM 1175 CA GLU A 73 10.924 -2.648 -8.030 1.00 0.00 C ATOM 1176 C GLU A 73 9.779 -1.626 -8.058 1.00 0.00 C ATOM 1177 O GLU A 73 8.969 -1.616 -8.970 1.00 0.00 O ATOM 1178 CB GLU A 73 11.223 -3.163 -9.442 1.00 0.00 C ATOM 1179 CG GLU A 73 12.614 -3.808 -9.465 1.00 0.00 C ATOM 1180 CD GLU A 73 13.321 -3.466 -10.781 1.00 0.00 C ATOM 1181 OE1 GLU A 73 13.050 -4.132 -11.769 1.00 0.00 O ATOM 1182 OE2 GLU A 73 14.127 -2.549 -10.776 1.00 0.00 O ATOM 0 H GLU A 73 10.186 -4.612 -7.684 1.00 0.00 H new ATOM 0 HA GLU A 73 11.817 -2.166 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.468 -3.889 -9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.179 -2.342 -10.157 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.204 -3.452 -8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.526 -4.889 -9.359 1.00 0.00 H new ATOM 1189 N VAL A 74 9.703 -0.772 -7.052 1.00 0.00 N ATOM 1190 CA VAL A 74 8.604 0.258 -7.010 1.00 0.00 C ATOM 1191 C VAL A 74 8.718 1.153 -8.247 1.00 0.00 C ATOM 1192 O VAL A 74 9.440 2.137 -8.245 1.00 0.00 O ATOM 1193 CB VAL A 74 8.674 1.166 -5.752 1.00 0.00 C ATOM 1194 CG1 VAL A 74 7.383 1.042 -4.953 1.00 0.00 C ATOM 1195 CG2 VAL A 74 9.845 0.803 -4.841 1.00 0.00 C ATOM 0 H VAL A 74 10.351 -0.745 -6.264 1.00 0.00 H new ATOM 0 HA VAL A 74 7.658 -0.283 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 74 8.816 2.188 -6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.438 1.681 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.541 1.350 -5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.246 0.006 -4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.852 1.466 -3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.740 -0.229 -4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.780 0.913 -5.389 1.00 0.00 H new ATOM 1205 N GLU A 75 8.008 0.828 -9.299 1.00 0.00 N ATOM 1206 CA GLU A 75 8.072 1.674 -10.523 1.00 0.00 C ATOM 1207 C GLU A 75 6.997 2.749 -10.403 1.00 0.00 C ATOM 1208 O GLU A 75 5.908 2.630 -10.940 1.00 0.00 O ATOM 1209 CB GLU A 75 7.848 0.819 -11.773 1.00 0.00 C ATOM 1210 CG GLU A 75 8.519 1.491 -12.973 1.00 0.00 C ATOM 1211 CD GLU A 75 8.285 0.658 -14.240 1.00 0.00 C ATOM 1212 OE1 GLU A 75 7.166 0.654 -14.728 1.00 0.00 O ATOM 1213 OE2 GLU A 75 9.231 0.043 -14.704 1.00 0.00 O ATOM 0 H GLU A 75 7.391 0.018 -9.360 1.00 0.00 H new ATOM 0 HA GLU A 75 9.054 2.137 -10.615 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.260 -0.179 -11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.781 0.699 -11.959 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.118 2.495 -13.109 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.588 1.597 -12.790 1.00 0.00 H new ATOM 1220 N PHE A 76 7.297 3.785 -9.665 1.00 0.00 N ATOM 1221 CA PHE A 76 6.307 4.873 -9.452 1.00 0.00 C ATOM 1222 C PHE A 76 6.901 6.245 -9.841 1.00 0.00 C ATOM 1223 O PHE A 76 6.331 7.268 -9.525 1.00 0.00 O ATOM 1224 CB PHE A 76 5.902 4.859 -7.976 1.00 0.00 C ATOM 1225 CG PHE A 76 6.822 5.728 -7.155 1.00 0.00 C ATOM 1226 CD1 PHE A 76 8.115 5.296 -6.838 1.00 0.00 C ATOM 1227 CD2 PHE A 76 6.370 6.971 -6.713 1.00 0.00 C ATOM 1228 CE1 PHE A 76 8.951 6.115 -6.076 1.00 0.00 C ATOM 1229 CE2 PHE A 76 7.202 7.791 -5.954 1.00 0.00 C ATOM 1230 CZ PHE A 76 8.497 7.365 -5.632 1.00 0.00 C ATOM 0 H PHE A 76 8.194 3.922 -9.198 1.00 0.00 H new ATOM 0 HA PHE A 76 5.434 4.710 -10.084 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.876 5.211 -7.873 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.928 3.837 -7.598 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.465 4.334 -7.181 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.371 7.299 -6.960 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.949 5.785 -5.828 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.849 8.754 -5.614 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.144 7.998 -5.043 1.00 0.00 H new ATOM 1240 N ASP A 77 8.042 6.269 -10.512 1.00 0.00 N ATOM 1241 CA ASP A 77 8.692 7.564 -10.916 1.00 0.00 C ATOM 1242 C ASP A 77 9.154 8.341 -9.667 1.00 0.00 C ATOM 1243 O ASP A 77 8.738 8.057 -8.559 1.00 0.00 O ATOM 1244 CB ASP A 77 7.729 8.394 -11.803 1.00 0.00 C ATOM 1245 CG ASP A 77 7.100 9.583 -11.058 1.00 0.00 C ATOM 1246 OD1 ASP A 77 7.789 10.570 -10.858 1.00 0.00 O ATOM 1247 OD2 ASP A 77 5.924 9.501 -10.745 1.00 0.00 O ATOM 0 H ASP A 77 8.553 5.434 -10.798 1.00 0.00 H new ATOM 0 HA ASP A 77 9.580 7.354 -11.513 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.273 8.764 -12.672 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.936 7.745 -12.175 1.00 0.00 H new ATOM 1252 N LYS A 78 10.039 9.301 -9.850 1.00 0.00 N ATOM 1253 CA LYS A 78 10.582 10.106 -8.696 1.00 0.00 C ATOM 1254 C LYS A 78 9.483 10.436 -7.673 1.00 0.00 C ATOM 1255 O LYS A 78 9.580 10.070 -6.515 1.00 0.00 O ATOM 1256 CB LYS A 78 11.184 11.413 -9.222 1.00 0.00 C ATOM 1257 CG LYS A 78 12.692 11.431 -8.951 1.00 0.00 C ATOM 1258 CD LYS A 78 12.956 11.979 -7.545 1.00 0.00 C ATOM 1259 CE LYS A 78 14.354 11.556 -7.084 1.00 0.00 C ATOM 1260 NZ LYS A 78 15.376 12.455 -7.694 1.00 0.00 N ATOM 0 H LYS A 78 10.413 9.565 -10.761 1.00 0.00 H new ATOM 0 HA LYS A 78 11.346 9.508 -8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.996 11.507 -10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.707 12.265 -8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.100 10.424 -9.042 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.198 12.048 -9.694 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.876 13.066 -7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.204 11.605 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.418 11.601 -5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.546 10.522 -7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.324 12.166 -7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.320 12.391 -8.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.197 13.436 -7.398 1.00 0.00 H new ATOM 1274 N GLY A 79 8.448 11.124 -8.091 1.00 0.00 N ATOM 1275 CA GLY A 79 7.341 11.484 -7.159 1.00 0.00 C ATOM 1276 C GLY A 79 6.011 11.148 -7.827 1.00 0.00 C ATOM 1277 O GLY A 79 5.793 11.474 -8.979 1.00 0.00 O ATOM 0 H GLY A 79 8.325 11.453 -9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.442 10.936 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.383 12.545 -6.914 1.00 0.00 H new ATOM 1281 N GLN A 80 5.118 10.515 -7.108 1.00 0.00 N ATOM 1282 CA GLN A 80 3.788 10.156 -7.689 1.00 0.00 C ATOM 1283 C GLN A 80 3.142 11.433 -8.192 1.00 0.00 C ATOM 1284 O GLN A 80 2.667 11.493 -9.309 1.00 0.00 O ATOM 1285 CB GLN A 80 2.866 9.531 -6.626 1.00 0.00 C ATOM 1286 CG GLN A 80 3.677 8.782 -5.560 1.00 0.00 C ATOM 1287 CD GLN A 80 3.902 9.686 -4.340 1.00 0.00 C ATOM 1288 OE1 GLN A 80 3.099 10.552 -4.046 1.00 0.00 O ATOM 1289 NE2 GLN A 80 4.973 9.521 -3.611 1.00 0.00 N ATOM 0 H GLN A 80 5.254 10.230 -6.138 1.00 0.00 H new ATOM 0 HA GLN A 80 3.933 9.431 -8.490 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.271 10.312 -6.152 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.168 8.844 -7.105 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.150 7.877 -5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.636 8.470 -5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.649 8.796 -3.854 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.134 10.117 -2.799 1.00 0.00 H new ATOM 1298 N ARG A 81 3.145 12.442 -7.344 1.00 0.00 N ATOM 1299 CA ARG A 81 2.554 13.775 -7.661 1.00 0.00 C ATOM 1300 C ARG A 81 1.826 14.262 -6.407 1.00 0.00 C ATOM 1301 O ARG A 81 2.183 15.272 -5.830 1.00 0.00 O ATOM 1302 CB ARG A 81 1.567 13.670 -8.831 1.00 0.00 C ATOM 1303 CG ARG A 81 0.796 14.984 -9.006 1.00 0.00 C ATOM 1304 CD ARG A 81 -0.703 14.688 -9.102 1.00 0.00 C ATOM 1305 NE ARG A 81 -1.014 14.077 -10.427 1.00 0.00 N ATOM 1306 CZ ARG A 81 -2.149 13.454 -10.606 1.00 0.00 C ATOM 1307 NH1 ARG A 81 -2.247 12.180 -10.322 1.00 0.00 N ATOM 1308 NH2 ARG A 81 -3.185 14.104 -11.069 1.00 0.00 N ATOM 0 H ARG A 81 3.551 12.385 -6.410 1.00 0.00 H new ATOM 0 HA ARG A 81 3.338 14.473 -7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.106 13.433 -9.748 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.868 12.853 -8.652 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.993 15.648 -8.165 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.134 15.499 -9.905 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.002 14.012 -8.301 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.274 15.608 -8.972 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.342 14.145 -11.192 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.438 11.674 -9.961 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.132 11.693 -10.461 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.107 15.097 -11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.071 13.618 -11.209 1.00 0.00 H new ATOM 1322 N THR A 82 0.827 13.525 -5.972 1.00 0.00 N ATOM 1323 CA THR A 82 0.073 13.912 -4.730 1.00 0.00 C ATOM 1324 C THR A 82 -0.772 12.733 -4.224 1.00 0.00 C ATOM 1325 O THR A 82 -0.377 12.047 -3.304 1.00 0.00 O ATOM 1326 CB THR A 82 -0.853 15.117 -4.986 1.00 0.00 C ATOM 1327 OG1 THR A 82 -1.378 15.060 -6.306 1.00 0.00 O ATOM 1328 CG2 THR A 82 -0.080 16.424 -4.796 1.00 0.00 C ATOM 0 H THR A 82 0.500 12.671 -6.424 1.00 0.00 H new ATOM 0 HA THR A 82 0.811 14.188 -3.977 1.00 0.00 H new ATOM 0 HB THR A 82 -1.676 15.081 -4.273 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.966 15.829 -6.458 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.744 17.269 -4.979 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.301 16.476 -3.776 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.754 16.459 -5.497 1.00 0.00 H new ATOM 1336 N ASP A 83 -1.951 12.546 -4.823 1.00 0.00 N ATOM 1337 CA ASP A 83 -2.934 11.463 -4.428 1.00 0.00 C ATOM 1338 C ASP A 83 -4.168 12.151 -3.806 1.00 0.00 C ATOM 1339 O ASP A 83 -4.152 13.344 -3.553 1.00 0.00 O ATOM 1340 CB ASP A 83 -2.311 10.476 -3.414 1.00 0.00 C ATOM 1341 CG ASP A 83 -3.352 9.466 -2.910 1.00 0.00 C ATOM 1342 OD1 ASP A 83 -3.950 8.787 -3.728 1.00 0.00 O ATOM 1343 OD2 ASP A 83 -3.539 9.394 -1.707 1.00 0.00 O ATOM 0 H ASP A 83 -2.276 13.125 -5.597 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.213 10.886 -5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.482 9.945 -3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.899 11.029 -2.570 1.00 0.00 H new ATOM 1348 N LYS A 84 -5.232 11.419 -3.546 1.00 0.00 N ATOM 1349 CA LYS A 84 -6.445 12.050 -2.934 1.00 0.00 C ATOM 1350 C LYS A 84 -6.149 12.302 -1.454 1.00 0.00 C ATOM 1351 O LYS A 84 -6.463 13.351 -0.921 1.00 0.00 O ATOM 1352 CB LYS A 84 -7.644 11.104 -3.068 1.00 0.00 C ATOM 1353 CG LYS A 84 -8.766 11.800 -3.843 1.00 0.00 C ATOM 1354 CD LYS A 84 -9.372 10.825 -4.858 1.00 0.00 C ATOM 1355 CE LYS A 84 -8.836 11.140 -6.256 1.00 0.00 C ATOM 1356 NZ LYS A 84 -9.251 10.067 -7.205 1.00 0.00 N ATOM 0 H LYS A 84 -5.310 10.419 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.682 12.986 -3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.344 10.192 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.999 10.809 -2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.536 12.148 -3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.376 12.679 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.124 9.799 -4.585 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.459 10.903 -4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.216 12.104 -6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.749 11.217 -6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.886 10.283 -8.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.868 9.154 -6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.289 10.014 -7.237 1.00 0.00 H new ATOM 1370 N TYR A 85 -5.497 11.366 -0.806 1.00 0.00 N ATOM 1371 CA TYR A 85 -5.111 11.554 0.624 1.00 0.00 C ATOM 1372 C TYR A 85 -3.738 12.242 0.659 1.00 0.00 C ATOM 1373 O TYR A 85 -3.367 12.861 1.641 1.00 0.00 O ATOM 1374 CB TYR A 85 -5.014 10.194 1.331 1.00 0.00 C ATOM 1375 CG TYR A 85 -6.242 9.366 1.031 1.00 0.00 C ATOM 1376 CD1 TYR A 85 -7.404 9.531 1.795 1.00 0.00 C ATOM 1377 CD2 TYR A 85 -6.217 8.434 -0.010 1.00 0.00 C ATOM 1378 CE1 TYR A 85 -8.540 8.761 1.513 1.00 0.00 C ATOM 1379 CE2 TYR A 85 -7.348 7.667 -0.292 1.00 0.00 C ATOM 1380 CZ TYR A 85 -8.512 7.829 0.469 1.00 0.00 C ATOM 1381 OH TYR A 85 -9.631 7.069 0.189 1.00 0.00 O ATOM 0 H TYR A 85 -5.215 10.474 -1.212 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.861 12.159 1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.120 9.666 1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.918 10.340 2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.424 10.251 2.600 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.320 8.307 -0.598 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.437 8.887 2.101 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.326 6.948 -1.098 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.441 6.473 -0.566 1.00 0.00 H new ATOM 1391 N GLY A 86 -2.982 12.129 -0.418 1.00 0.00 N ATOM 1392 CA GLY A 86 -1.632 12.759 -0.488 1.00 0.00 C ATOM 1393 C GLY A 86 -0.581 11.764 0.018 1.00 0.00 C ATOM 1394 O GLY A 86 0.308 12.127 0.767 1.00 0.00 O ATOM 0 H GLY A 86 -3.255 11.618 -1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.408 13.052 -1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.610 13.667 0.115 1.00 0.00 H new ATOM 1398 N ARG A 87 -0.677 10.511 -0.382 1.00 0.00 N ATOM 1399 CA ARG A 87 0.314 9.495 0.078 1.00 0.00 C ATOM 1400 C ARG A 87 1.285 9.154 -1.066 1.00 0.00 C ATOM 1401 O ARG A 87 1.719 10.029 -1.793 1.00 0.00 O ATOM 1402 CB ARG A 87 -0.435 8.254 0.584 1.00 0.00 C ATOM 1403 CG ARG A 87 -1.392 7.746 -0.490 1.00 0.00 C ATOM 1404 CD ARG A 87 -0.948 6.365 -0.948 1.00 0.00 C ATOM 1405 NE ARG A 87 -2.014 5.751 -1.778 1.00 0.00 N ATOM 1406 CZ ARG A 87 -3.272 5.837 -1.422 1.00 0.00 C ATOM 1407 NH1 ARG A 87 -3.633 5.511 -0.207 1.00 0.00 N ATOM 1408 NH2 ARG A 87 -4.166 6.253 -2.278 1.00 0.00 N ATOM 0 H ARG A 87 -1.401 10.156 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 87 0.908 9.893 0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.277 7.472 0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.989 8.498 1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.408 7.702 -0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.407 8.434 -1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.024 6.440 -1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.737 5.735 -0.084 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.765 5.257 -2.635 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.935 5.190 0.464 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.613 5.578 0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.885 6.511 -3.224 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.145 6.320 -2.001 1.00 0.00 H new ATOM 1422 N VAL A 88 1.667 7.907 -1.199 1.00 0.00 N ATOM 1423 CA VAL A 88 2.657 7.518 -2.254 1.00 0.00 C ATOM 1424 C VAL A 88 2.008 6.743 -3.407 1.00 0.00 C ATOM 1425 O VAL A 88 2.419 5.640 -3.698 1.00 0.00 O ATOM 1426 CB VAL A 88 3.704 6.610 -1.612 1.00 0.00 C ATOM 1427 CG1 VAL A 88 4.919 6.493 -2.530 1.00 0.00 C ATOM 1428 CG2 VAL A 88 4.126 7.188 -0.263 1.00 0.00 C ATOM 0 H VAL A 88 1.334 7.137 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 88 3.091 8.432 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 88 3.277 5.619 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.663 5.844 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.613 6.070 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.349 7.481 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.873 6.539 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.550 8.182 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.257 7.257 0.391 1.00 0.00 H new ATOM 1438 N LEU A 89 1.030 7.294 -4.084 1.00 0.00 N ATOM 1439 CA LEU A 89 0.410 6.540 -5.229 1.00 0.00 C ATOM 1440 C LEU A 89 1.522 5.985 -6.128 1.00 0.00 C ATOM 1441 O LEU A 89 2.097 6.690 -6.938 1.00 0.00 O ATOM 1442 CB LEU A 89 -0.500 7.464 -6.035 1.00 0.00 C ATOM 1443 CG LEU A 89 -1.902 7.426 -5.437 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -2.862 8.180 -6.356 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -2.368 5.973 -5.300 1.00 0.00 C ATOM 0 H LEU A 89 0.636 8.217 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.188 5.717 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.112 8.482 -6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.527 7.149 -7.078 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.888 7.894 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.866 8.155 -5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.535 9.215 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.871 7.708 -7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.370 5.951 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.382 5.501 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.683 5.431 -4.648 1.00 0.00 H new ATOM 1457 N ALA A 90 1.855 4.729 -5.950 1.00 0.00 N ATOM 1458 CA ALA A 90 2.961 4.123 -6.741 1.00 0.00 C ATOM 1459 C ALA A 90 2.620 2.686 -7.141 1.00 0.00 C ATOM 1460 O ALA A 90 1.710 2.075 -6.611 1.00 0.00 O ATOM 1461 CB ALA A 90 4.222 4.117 -5.876 1.00 0.00 C ATOM 0 H ALA A 90 1.404 4.099 -5.287 1.00 0.00 H new ATOM 0 HA ALA A 90 3.114 4.706 -7.649 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.046 3.676 -6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.478 5.140 -5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.042 3.531 -4.975 1.00 0.00 H new ATOM 1467 N TYR A 91 3.363 2.146 -8.075 1.00 0.00 N ATOM 1468 CA TYR A 91 3.118 0.749 -8.532 1.00 0.00 C ATOM 1469 C TYR A 91 4.215 -0.158 -7.972 1.00 0.00 C ATOM 1470 O TYR A 91 5.362 0.240 -7.850 1.00 0.00 O ATOM 1471 CB TYR A 91 3.087 0.720 -10.061 1.00 0.00 C ATOM 1472 CG TYR A 91 1.793 1.353 -10.523 1.00 0.00 C ATOM 1473 CD1 TYR A 91 1.527 2.697 -10.224 1.00 0.00 C ATOM 1474 CD2 TYR A 91 0.846 0.594 -11.218 1.00 0.00 C ATOM 1475 CE1 TYR A 91 0.322 3.280 -10.623 1.00 0.00 C ATOM 1476 CE2 TYR A 91 -0.362 1.178 -11.617 1.00 0.00 C ATOM 1477 CZ TYR A 91 -0.626 2.521 -11.319 1.00 0.00 C ATOM 1478 OH TYR A 91 -1.818 3.094 -11.711 1.00 0.00 O ATOM 0 H TYR A 91 4.135 2.620 -8.543 1.00 0.00 H new ATOM 0 HA TYR A 91 2.157 0.386 -8.167 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.941 1.261 -10.468 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.158 -0.306 -10.423 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.256 3.283 -9.684 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.047 -0.442 -11.447 1.00 0.00 H new ATOM 0 HE1 TYR A 91 0.122 4.316 -10.394 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.092 0.592 -12.156 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.361 2.429 -12.184 1.00 0.00 H new ATOM 1488 N ILE A 92 3.858 -1.358 -7.587 1.00 0.00 N ATOM 1489 CA ILE A 92 4.854 -2.290 -6.978 1.00 0.00 C ATOM 1490 C ILE A 92 4.961 -3.578 -7.800 1.00 0.00 C ATOM 1491 O ILE A 92 4.023 -4.354 -7.878 1.00 0.00 O ATOM 1492 CB ILE A 92 4.404 -2.654 -5.550 1.00 0.00 C ATOM 1493 CG1 ILE A 92 3.694 -1.462 -4.884 1.00 0.00 C ATOM 1494 CG2 ILE A 92 5.618 -3.052 -4.714 1.00 0.00 C ATOM 1495 CD1 ILE A 92 4.666 -0.291 -4.718 1.00 0.00 C ATOM 0 H ILE A 92 2.913 -1.733 -7.669 1.00 0.00 H new ATOM 0 HA ILE A 92 5.825 -1.795 -6.959 1.00 0.00 H new ATOM 0 HB ILE A 92 3.707 -3.490 -5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.842 -1.153 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.303 -1.760 -3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.296 -3.309 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.107 -3.913 -5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.319 -2.218 -4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.151 0.545 -4.246 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.504 -0.600 -4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.036 0.016 -5.696 1.00 0.00 H new ATOM 1507 N TYR A 93 6.109 -3.824 -8.388 1.00 0.00 N ATOM 1508 CA TYR A 93 6.300 -5.080 -9.178 1.00 0.00 C ATOM 1509 C TYR A 93 7.339 -5.926 -8.460 1.00 0.00 C ATOM 1510 O TYR A 93 8.510 -5.928 -8.805 1.00 0.00 O ATOM 1511 CB TYR A 93 6.790 -4.777 -10.596 1.00 0.00 C ATOM 1512 CG TYR A 93 6.090 -3.569 -11.145 1.00 0.00 C ATOM 1513 CD1 TYR A 93 4.742 -3.343 -10.863 1.00 0.00 C ATOM 1514 CD2 TYR A 93 6.800 -2.674 -11.934 1.00 0.00 C ATOM 1515 CE1 TYR A 93 4.106 -2.216 -11.373 1.00 0.00 C ATOM 1516 CE2 TYR A 93 6.168 -1.547 -12.448 1.00 0.00 C ATOM 1517 CZ TYR A 93 4.818 -1.311 -12.169 1.00 0.00 C ATOM 1518 OH TYR A 93 4.190 -0.194 -12.682 1.00 0.00 O ATOM 0 H TYR A 93 6.921 -3.208 -8.354 1.00 0.00 H new ATOM 0 HA TYR A 93 5.347 -5.603 -9.258 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.867 -4.608 -10.587 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.607 -5.636 -11.242 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.193 -4.042 -10.250 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.843 -2.853 -12.149 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.063 -2.039 -11.155 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.721 -0.853 -13.064 1.00 0.00 H new ATOM 0 HH TYR A 93 4.830 0.327 -13.211 1.00 0.00 H new ATOM 1528 N ALA A 94 6.922 -6.630 -7.450 1.00 0.00 N ATOM 1529 CA ALA A 94 7.868 -7.458 -6.693 1.00 0.00 C ATOM 1530 C ALA A 94 7.908 -8.853 -7.309 1.00 0.00 C ATOM 1531 O ALA A 94 6.927 -9.577 -7.296 1.00 0.00 O ATOM 1532 CB ALA A 94 7.415 -7.525 -5.239 1.00 0.00 C ATOM 0 H ALA A 94 5.957 -6.662 -7.121 1.00 0.00 H new ATOM 0 HA ALA A 94 8.869 -7.027 -6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.112 -8.139 -4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.389 -6.519 -4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.419 -7.965 -5.188 1.00 0.00 H new ATOM 1538 N ASP A 95 9.042 -9.223 -7.853 1.00 0.00 N ATOM 1539 CA ASP A 95 9.195 -10.569 -8.497 1.00 0.00 C ATOM 1540 C ASP A 95 8.011 -10.857 -9.436 1.00 0.00 C ATOM 1541 O ASP A 95 7.618 -11.996 -9.621 1.00 0.00 O ATOM 1542 CB ASP A 95 9.234 -11.632 -7.405 1.00 0.00 C ATOM 1543 CG ASP A 95 10.621 -11.662 -6.751 1.00 0.00 C ATOM 1544 OD1 ASP A 95 10.818 -10.931 -5.794 1.00 0.00 O ATOM 1545 OD2 ASP A 95 11.459 -12.416 -7.216 1.00 0.00 O ATOM 0 H ASP A 95 9.880 -8.643 -7.879 1.00 0.00 H new ATOM 0 HA ASP A 95 10.116 -10.583 -9.080 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.473 -11.421 -6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 95 9.001 -12.609 -7.829 1.00 0.00 H new ATOM 1550 N GLY A 96 7.432 -9.834 -10.014 1.00 0.00 N ATOM 1551 CA GLY A 96 6.265 -10.039 -10.917 1.00 0.00 C ATOM 1552 C GLY A 96 6.412 -9.202 -12.164 1.00 0.00 C ATOM 1553 O GLY A 96 6.275 -9.697 -13.269 1.00 0.00 O ATOM 0 H GLY A 96 7.721 -8.863 -9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.185 -11.092 -11.186 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.344 -9.772 -10.398 1.00 0.00 H new ATOM 1557 N LYS A 97 6.640 -7.928 -11.989 1.00 0.00 N ATOM 1558 CA LYS A 97 6.735 -7.012 -13.171 1.00 0.00 C ATOM 1559 C LYS A 97 5.480 -7.222 -14.045 1.00 0.00 C ATOM 1560 O LYS A 97 5.468 -6.929 -15.228 1.00 0.00 O ATOM 1561 CB LYS A 97 8.003 -7.318 -13.977 1.00 0.00 C ATOM 1562 CG LYS A 97 9.239 -6.980 -13.137 1.00 0.00 C ATOM 1563 CD LYS A 97 10.201 -8.173 -13.128 1.00 0.00 C ATOM 1564 CE LYS A 97 11.475 -7.812 -13.898 1.00 0.00 C ATOM 1565 NZ LYS A 97 12.395 -7.042 -13.011 1.00 0.00 N ATOM 0 H LYS A 97 6.765 -7.479 -11.082 1.00 0.00 H new ATOM 0 HA LYS A 97 6.789 -5.975 -12.839 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.020 -8.370 -14.261 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.008 -6.738 -14.900 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.738 -6.101 -13.545 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.941 -6.733 -12.118 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.449 -8.445 -12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.724 -9.041 -13.582 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.968 -8.718 -14.251 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.224 -7.221 -14.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.259 -6.798 -13.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.924 -6.170 -12.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.644 -7.620 -12.183 1.00 0.00 H new ATOM 1579 N MET A 98 4.417 -7.722 -13.439 1.00 0.00 N ATOM 1580 CA MET A 98 3.136 -7.963 -14.164 1.00 0.00 C ATOM 1581 C MET A 98 2.349 -6.664 -14.130 1.00 0.00 C ATOM 1582 O MET A 98 1.814 -6.218 -15.129 1.00 0.00 O ATOM 1583 CB MET A 98 2.340 -9.077 -13.464 1.00 0.00 C ATOM 1584 CG MET A 98 2.215 -8.775 -11.961 1.00 0.00 C ATOM 1585 SD MET A 98 1.344 -10.131 -11.136 1.00 0.00 S ATOM 1586 CE MET A 98 2.508 -11.451 -11.561 1.00 0.00 C ATOM 0 H MET A 98 4.394 -7.975 -12.451 1.00 0.00 H new ATOM 0 HA MET A 98 3.325 -8.275 -15.191 1.00 0.00 H new ATOM 0 HB2 MET A 98 1.349 -9.161 -13.909 1.00 0.00 H new ATOM 0 HB3 MET A 98 2.837 -10.036 -13.610 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.205 -8.646 -11.523 1.00 0.00 H new ATOM 0 HG3 MET A 98 1.676 -7.840 -11.812 1.00 0.00 H new ATOM 0 HE1 MET A 98 2.409 -12.268 -10.846 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.291 -11.819 -12.564 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.526 -11.063 -11.530 1.00 0.00 H new ATOM 1596 N VAL A 99 2.332 -6.031 -12.982 1.00 0.00 N ATOM 1597 CA VAL A 99 1.652 -4.724 -12.849 1.00 0.00 C ATOM 1598 C VAL A 99 2.449 -3.710 -13.665 1.00 0.00 C ATOM 1599 O VAL A 99 1.940 -2.669 -14.026 1.00 0.00 O ATOM 1600 CB VAL A 99 1.623 -4.311 -11.379 1.00 0.00 C ATOM 1601 CG1 VAL A 99 0.952 -2.954 -11.256 1.00 0.00 C ATOM 1602 CG2 VAL A 99 0.836 -5.342 -10.569 1.00 0.00 C ATOM 0 H VAL A 99 2.768 -6.376 -12.127 1.00 0.00 H new ATOM 0 HA VAL A 99 0.625 -4.779 -13.210 1.00 0.00 H new ATOM 0 HB VAL A 99 2.642 -4.255 -10.996 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.928 -2.653 -10.209 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.512 -2.218 -11.832 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.067 -3.016 -11.639 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.818 -5.044 -9.521 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.184 -5.400 -10.948 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.313 -6.318 -10.660 1.00 0.00 H new