USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 849 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 1 GLN : amide:sc= -0.981! K(o=-1.8!,f=-1) USER MOD Set 1.2: A 24 SER OG : rot 164:sc= -0.812 USER MOD Single : A 1 GLN N :NH3+ 150:sc= 0.208 (180deg=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0.329 (180deg=0.314) USER MOD Single : A 19 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.3) USER MOD Single : A 22 TYR OH : rot 34:sc= -0.538 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -5.96! C(o=-6!,f=-2.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc=-0.00121 (180deg=-0.103) USER MOD Single : A 43 SER OG : rot 71:sc= 0.643 USER MOD Single : A 48 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 49 LYS NZ :NH3+ 159:sc= -0.115 (180deg=-0.521) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.02) USER MOD Single : A 53 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.8) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= 0.94 (180deg=0.0906) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= 1.13 (180deg=0.213) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -159:sc= -1.25! USER MOD Single : A 77 MET CE :methyl 154:sc= -0.044 (180deg=-1.05) USER MOD Single : A 78 SER OG : rot 79:sc= 1.32 USER MOD Single : A 80 HIS : no HE2:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 81 MET CE :methyl -113:sc= -0.0259 (180deg=-2.52!) USER MOD Single : A 84 MET CE :methyl -161:sc= -4.62! (180deg=-4.97!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= 0.139 (180deg=-0.0219) USER MOD Single : A 92 LYS NZ :NH3+ -160:sc= -0.0603 (180deg=-0.462) USER MOD Single : A 95 SER OG : rot -79:sc= 1.18 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 148:sc= 1.31 (180deg=-0.119) USER MOD Single : A 102 TYR OH : rot 110:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -10.489 -2.678 9.783 1.00 0.00 N ATOM 2 CA GLN A 1 -9.824 -1.556 9.082 1.00 0.00 C ATOM 3 C GLN A 1 -9.871 -0.300 9.940 1.00 0.00 C ATOM 4 O GLN A 1 -10.909 0.360 10.027 1.00 0.00 O ATOM 5 CB GLN A 1 -10.484 -1.311 7.723 1.00 0.00 C ATOM 6 CG GLN A 1 -12.004 -1.246 7.768 1.00 0.00 C ATOM 7 CD GLN A 1 -12.614 -1.039 6.398 1.00 0.00 C ATOM 8 OE1 GLN A 1 -13.682 -0.442 6.265 1.00 0.00 O ATOM 9 NE2 GLN A 1 -11.938 -1.531 5.372 1.00 0.00 N ATOM 0 H1 GLN A 1 -10.904 -3.327 9.084 1.00 0.00 H new ATOM 0 H2 GLN A 1 -9.791 -3.190 10.359 1.00 0.00 H new ATOM 0 H3 GLN A 1 -11.240 -2.306 10.399 1.00 0.00 H new ATOM 0 HA GLN A 1 -8.780 -1.817 8.911 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -10.104 -0.376 7.311 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -10.186 -2.106 7.039 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -12.392 -2.169 8.200 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -12.311 -0.433 8.426 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -11.056 -2.019 5.529 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -12.299 -1.422 4.424 1.00 0.00 H new ATOM 20 N GLU A 2 -8.740 0.039 10.559 1.00 0.00 N ATOM 21 CA GLU A 2 -8.701 1.105 11.551 1.00 0.00 C ATOM 22 C GLU A 2 -7.324 1.151 12.196 1.00 0.00 C ATOM 23 O GLU A 2 -6.595 0.156 12.184 1.00 0.00 O ATOM 24 CB GLU A 2 -9.771 0.864 12.624 1.00 0.00 C ATOM 25 CG GLU A 2 -9.973 2.022 13.585 1.00 0.00 C ATOM 26 CD GLU A 2 -11.100 1.760 14.556 1.00 0.00 C ATOM 27 OE1 GLU A 2 -10.866 1.078 15.573 1.00 0.00 O ATOM 28 OE2 GLU A 2 -12.232 2.218 14.294 1.00 0.00 O ATOM 0 H GLU A 2 -7.841 -0.411 10.389 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.902 2.057 11.060 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.719 0.648 12.131 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.500 -0.023 13.196 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.051 2.199 14.139 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.185 2.930 13.020 1.00 0.00 H new ATOM 35 N ALA A 3 -6.972 2.299 12.742 1.00 0.00 N ATOM 36 CA ALA A 3 -5.701 2.464 13.420 1.00 0.00 C ATOM 37 C ALA A 3 -5.854 3.413 14.604 1.00 0.00 C ATOM 38 O ALA A 3 -5.787 4.636 14.442 1.00 0.00 O ATOM 39 CB ALA A 3 -4.654 2.981 12.446 1.00 0.00 C ATOM 0 H ALA A 3 -7.553 3.137 12.729 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.372 1.496 13.798 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.703 3.102 12.964 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.534 2.269 11.629 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.973 3.943 12.045 1.00 0.00 H new ATOM 45 N GLY A 4 -6.099 2.845 15.784 1.00 0.00 N ATOM 46 CA GLY A 4 -6.193 3.647 16.994 1.00 0.00 C ATOM 47 C GLY A 4 -4.917 4.420 17.233 1.00 0.00 C ATOM 48 O GLY A 4 -4.942 5.631 17.455 1.00 0.00 O ATOM 0 H GLY A 4 -6.234 1.844 15.924 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.031 4.339 16.912 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.396 3.001 17.848 1.00 0.00 H new ATOM 52 N GLY A 5 -3.802 3.710 17.181 1.00 0.00 N ATOM 53 CA GLY A 5 -2.512 4.354 17.152 1.00 0.00 C ATOM 54 C GLY A 5 -2.074 4.558 15.722 1.00 0.00 C ATOM 55 O GLY A 5 -2.696 4.017 14.810 1.00 0.00 O ATOM 0 H GLY A 5 -3.770 2.691 17.158 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.563 5.313 17.667 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.780 3.746 17.683 1.00 0.00 H new ATOM 59 N ARG A 6 -1.018 5.319 15.504 1.00 0.00 N ATOM 60 CA ARG A 6 -0.569 5.599 14.147 1.00 0.00 C ATOM 61 C ARG A 6 0.942 5.418 14.012 1.00 0.00 C ATOM 62 O ARG A 6 1.666 6.372 13.743 1.00 0.00 O ATOM 63 CB ARG A 6 -0.978 7.018 13.737 1.00 0.00 C ATOM 64 CG ARG A 6 -2.482 7.195 13.588 1.00 0.00 C ATOM 65 CD ARG A 6 -3.015 6.417 12.397 1.00 0.00 C ATOM 66 NE ARG A 6 -4.479 6.359 12.373 1.00 0.00 N ATOM 67 CZ ARG A 6 -5.226 6.829 11.373 1.00 0.00 C ATOM 68 NH1 ARG A 6 -4.672 7.550 10.407 1.00 0.00 N ATOM 69 NH2 ARG A 6 -6.536 6.617 11.360 1.00 0.00 N ATOM 0 H ARG A 6 -0.458 5.752 16.238 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.050 4.885 13.478 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.609 7.724 14.481 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.495 7.269 12.793 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.981 6.860 14.497 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.716 8.253 13.468 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.658 6.879 11.476 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.615 5.403 12.421 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.955 5.934 13.169 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.671 7.747 10.427 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.247 7.908 9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.975 6.093 12.117 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.104 6.978 10.593 1.00 0.00 H new ATOM 83 N PRO A 7 1.446 4.188 14.201 1.00 0.00 N ATOM 84 CA PRO A 7 2.851 3.873 14.050 1.00 0.00 C ATOM 85 C PRO A 7 3.132 3.214 12.705 1.00 0.00 C ATOM 86 O PRO A 7 3.776 2.165 12.639 1.00 0.00 O ATOM 87 CB PRO A 7 3.063 2.881 15.191 1.00 0.00 C ATOM 88 CG PRO A 7 1.744 2.174 15.347 1.00 0.00 C ATOM 89 CD PRO A 7 0.704 2.986 14.603 1.00 0.00 C ATOM 0 HA PRO A 7 3.504 4.745 14.081 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.862 2.177 14.958 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.347 3.393 16.111 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.801 1.162 14.945 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.479 2.084 16.400 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.313 2.447 13.741 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.147 3.231 15.239 1.00 0.00 H new ATOM 97 N GLY A 8 2.655 3.842 11.634 1.00 0.00 N ATOM 98 CA GLY A 8 2.670 3.199 10.335 1.00 0.00 C ATOM 99 C GLY A 8 4.056 3.073 9.739 1.00 0.00 C ATOM 100 O GLY A 8 4.344 2.106 9.042 1.00 0.00 O ATOM 0 H GLY A 8 2.260 4.782 11.644 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.230 2.206 10.425 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.039 3.766 9.651 1.00 0.00 H new ATOM 104 N ALA A 9 4.912 4.059 10.004 1.00 0.00 N ATOM 105 CA ALA A 9 6.249 4.091 9.428 1.00 0.00 C ATOM 106 C ALA A 9 7.119 5.134 10.116 1.00 0.00 C ATOM 107 O ALA A 9 7.774 4.843 11.115 1.00 0.00 O ATOM 108 CB ALA A 9 6.182 4.365 7.929 1.00 0.00 C ATOM 0 H ALA A 9 4.699 4.847 10.616 1.00 0.00 H new ATOM 0 HA ALA A 9 6.703 3.112 9.585 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.191 4.385 7.517 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.606 3.579 7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.701 5.328 7.756 1.00 0.00 H new ATOM 114 N ASP A 10 7.099 6.357 9.596 1.00 0.00 N ATOM 115 CA ASP A 10 7.907 7.438 10.150 1.00 0.00 C ATOM 116 C ASP A 10 7.355 8.799 9.742 1.00 0.00 C ATOM 117 O ASP A 10 6.736 9.486 10.548 1.00 0.00 O ATOM 118 CB ASP A 10 9.365 7.310 9.703 1.00 0.00 C ATOM 119 CG ASP A 10 10.216 8.482 10.154 1.00 0.00 C ATOM 120 OD1 ASP A 10 10.525 8.575 11.359 1.00 0.00 O ATOM 121 OD2 ASP A 10 10.584 9.314 9.303 1.00 0.00 O ATOM 0 H ASP A 10 6.532 6.625 8.791 1.00 0.00 H new ATOM 0 HA ASP A 10 7.865 7.359 11.236 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.784 6.386 10.102 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.403 7.234 8.616 1.00 0.00 H new ATOM 126 N CYS A 11 7.546 9.172 8.486 1.00 0.00 N ATOM 127 CA CYS A 11 7.131 10.489 8.019 1.00 0.00 C ATOM 128 C CYS A 11 5.650 10.531 7.617 1.00 0.00 C ATOM 129 O CYS A 11 5.302 10.552 6.439 1.00 0.00 O ATOM 130 CB CYS A 11 8.037 10.950 6.874 1.00 0.00 C ATOM 131 SG CYS A 11 8.785 9.585 5.923 1.00 0.00 S ATOM 0 H CYS A 11 7.983 8.587 7.774 1.00 0.00 H new ATOM 0 HA CYS A 11 7.238 11.184 8.852 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.458 11.577 6.196 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.833 11.573 7.282 1.00 0.00 H new ATOM 136 N GLU A 12 4.798 10.504 8.636 1.00 0.00 N ATOM 137 CA GLU A 12 3.365 10.804 8.519 1.00 0.00 C ATOM 138 C GLU A 12 2.609 10.024 7.437 1.00 0.00 C ATOM 139 O GLU A 12 2.328 8.849 7.604 1.00 0.00 O ATOM 140 CB GLU A 12 3.170 12.312 8.302 1.00 0.00 C ATOM 141 CG GLU A 12 3.390 13.143 9.551 1.00 0.00 C ATOM 142 CD GLU A 12 3.210 14.623 9.305 1.00 0.00 C ATOM 143 OE1 GLU A 12 4.191 15.287 8.925 1.00 0.00 O ATOM 144 OE2 GLU A 12 2.087 15.131 9.498 1.00 0.00 O ATOM 0 H GLU A 12 5.084 10.269 9.587 1.00 0.00 H new ATOM 0 HA GLU A 12 2.928 10.474 9.461 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.857 12.650 7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.160 12.489 7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.694 12.820 10.325 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.395 12.961 9.931 1.00 0.00 H new ATOM 151 N VAL A 13 2.306 10.693 6.324 1.00 0.00 N ATOM 152 CA VAL A 13 1.269 10.243 5.381 1.00 0.00 C ATOM 153 C VAL A 13 1.421 8.775 4.975 1.00 0.00 C ATOM 154 O VAL A 13 0.473 7.987 5.066 1.00 0.00 O ATOM 155 CB VAL A 13 1.250 11.117 4.110 1.00 0.00 C ATOM 156 CG1 VAL A 13 0.042 10.794 3.246 1.00 0.00 C ATOM 157 CG2 VAL A 13 1.258 12.585 4.483 1.00 0.00 C ATOM 0 H VAL A 13 2.768 11.559 6.047 1.00 0.00 H new ATOM 0 HA VAL A 13 0.325 10.347 5.916 1.00 0.00 H new ATOM 0 HB VAL A 13 2.147 10.898 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.052 11.424 2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.077 9.746 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.871 10.980 3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.244 13.191 3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.378 12.812 5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.157 12.810 5.056 1.00 0.00 H new ATOM 167 N CYS A 14 2.619 8.413 4.545 1.00 0.00 N ATOM 168 CA CYS A 14 2.901 7.052 4.102 1.00 0.00 C ATOM 169 C CYS A 14 2.654 6.039 5.223 1.00 0.00 C ATOM 170 O CYS A 14 2.265 4.898 4.967 1.00 0.00 O ATOM 171 CB CYS A 14 4.344 6.969 3.605 1.00 0.00 C ATOM 172 SG CYS A 14 4.975 5.286 3.333 1.00 0.00 S ATOM 0 H CYS A 14 3.418 9.045 4.492 1.00 0.00 H new ATOM 0 HA CYS A 14 2.224 6.803 3.285 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.422 7.524 2.670 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.989 7.469 4.327 1.00 0.00 H new ATOM 177 N LYS A 15 2.836 6.473 6.467 1.00 0.00 N ATOM 178 CA LYS A 15 2.665 5.586 7.606 1.00 0.00 C ATOM 179 C LYS A 15 1.186 5.284 7.811 1.00 0.00 C ATOM 180 O LYS A 15 0.807 4.155 8.121 1.00 0.00 O ATOM 181 CB LYS A 15 3.269 6.203 8.883 1.00 0.00 C ATOM 182 CG LYS A 15 2.276 6.942 9.771 1.00 0.00 C ATOM 183 CD LYS A 15 2.866 7.314 11.120 1.00 0.00 C ATOM 184 CE LYS A 15 4.120 8.152 10.978 1.00 0.00 C ATOM 185 NZ LYS A 15 4.509 8.796 12.263 1.00 0.00 N ATOM 0 H LYS A 15 3.100 7.428 6.708 1.00 0.00 H new ATOM 0 HA LYS A 15 3.194 4.655 7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.735 5.409 9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.061 6.894 8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.942 7.846 9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.395 6.318 9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.126 7.865 11.700 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.097 6.406 11.677 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.938 7.524 10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.959 8.920 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.432 9.261 12.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.794 9.504 12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.573 8.073 13.008 1.00 0.00 H new ATOM 199 N GLU A 16 0.360 6.302 7.611 1.00 0.00 N ATOM 200 CA GLU A 16 -1.076 6.179 7.793 1.00 0.00 C ATOM 201 C GLU A 16 -1.623 5.145 6.825 1.00 0.00 C ATOM 202 O GLU A 16 -2.448 4.297 7.187 1.00 0.00 O ATOM 203 CB GLU A 16 -1.760 7.528 7.548 1.00 0.00 C ATOM 204 CG GLU A 16 -1.174 8.683 8.351 1.00 0.00 C ATOM 205 CD GLU A 16 -1.401 8.549 9.840 1.00 0.00 C ATOM 206 OE1 GLU A 16 -2.460 8.999 10.322 1.00 0.00 O ATOM 207 OE2 GLU A 16 -0.524 8.006 10.535 1.00 0.00 O ATOM 0 H GLU A 16 0.666 7.230 7.320 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.278 5.864 8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.694 7.768 6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.819 7.434 7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.103 8.745 8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.615 9.618 8.005 1.00 0.00 H new ATOM 214 N PHE A 17 -1.144 5.223 5.587 1.00 0.00 N ATOM 215 CA PHE A 17 -1.573 4.311 4.541 1.00 0.00 C ATOM 216 C PHE A 17 -1.203 2.868 4.875 1.00 0.00 C ATOM 217 O PHE A 17 -2.078 2.003 4.927 1.00 0.00 O ATOM 218 CB PHE A 17 -0.955 4.708 3.198 1.00 0.00 C ATOM 219 CG PHE A 17 -1.369 3.808 2.069 1.00 0.00 C ATOM 220 CD1 PHE A 17 -2.571 4.010 1.412 1.00 0.00 C ATOM 221 CD2 PHE A 17 -0.561 2.754 1.674 1.00 0.00 C ATOM 222 CE1 PHE A 17 -2.959 3.178 0.382 1.00 0.00 C ATOM 223 CE2 PHE A 17 -0.945 1.918 0.644 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.145 2.131 -0.002 1.00 0.00 C ATOM 0 H PHE A 17 -0.456 5.913 5.286 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.659 4.378 4.470 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.242 5.733 2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.131 4.694 3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.211 4.827 1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.379 2.584 2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.899 3.346 -0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.307 1.099 0.345 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.448 1.479 -0.808 1.00 0.00 H new ATOM 234 N LEU A 18 0.083 2.614 5.125 1.00 0.00 N ATOM 235 CA LEU A 18 0.555 1.250 5.331 1.00 0.00 C ATOM 236 C LEU A 18 -0.091 0.624 6.557 1.00 0.00 C ATOM 237 O LEU A 18 -0.499 -0.528 6.512 1.00 0.00 O ATOM 238 CB LEU A 18 2.085 1.199 5.458 1.00 0.00 C ATOM 239 CG LEU A 18 2.861 1.608 4.206 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.345 1.690 4.510 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.612 0.624 3.073 1.00 0.00 C ATOM 0 H LEU A 18 0.807 3.329 5.189 1.00 0.00 H new ATOM 0 HA LEU A 18 0.264 0.674 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.386 1.849 6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.376 0.185 5.730 1.00 0.00 H new ATOM 0 HG LEU A 18 2.510 2.591 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.885 1.982 3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.516 2.430 5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.702 0.717 4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.174 0.934 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.935 -0.371 3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.548 0.603 2.836 1.00 0.00 H new ATOM 253 N ASN A 19 -0.212 1.392 7.633 1.00 0.00 N ATOM 254 CA ASN A 19 -0.755 0.869 8.886 1.00 0.00 C ATOM 255 C ASN A 19 -2.204 0.404 8.716 1.00 0.00 C ATOM 256 O ASN A 19 -2.526 -0.752 8.992 1.00 0.00 O ATOM 257 CB ASN A 19 -0.664 1.930 9.986 1.00 0.00 C ATOM 258 CG ASN A 19 -1.092 1.420 11.354 1.00 0.00 C ATOM 259 OD1 ASN A 19 -1.615 2.177 12.166 1.00 0.00 O ATOM 260 ND2 ASN A 19 -0.855 0.144 11.629 1.00 0.00 N ATOM 0 H ASN A 19 0.057 2.375 7.666 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.158 0.004 9.175 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.362 2.293 10.046 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.288 2.781 9.712 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.109 -0.237 12.540 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.418 -0.456 10.929 1.00 0.00 H new ATOM 267 N ARG A 20 -3.072 1.296 8.243 1.00 0.00 N ATOM 268 CA ARG A 20 -4.478 0.964 8.042 1.00 0.00 C ATOM 269 C ARG A 20 -4.650 -0.150 7.014 1.00 0.00 C ATOM 270 O ARG A 20 -5.493 -1.024 7.184 1.00 0.00 O ATOM 271 CB ARG A 20 -5.262 2.200 7.609 1.00 0.00 C ATOM 272 CG ARG A 20 -5.415 3.240 8.705 1.00 0.00 C ATOM 273 CD ARG A 20 -5.979 4.536 8.153 1.00 0.00 C ATOM 274 NE ARG A 20 -5.084 5.125 7.160 1.00 0.00 N ATOM 275 CZ ARG A 20 -5.440 6.071 6.296 1.00 0.00 C ATOM 276 NH1 ARG A 20 -6.689 6.516 6.254 1.00 0.00 N ATOM 277 NH2 ARG A 20 -4.546 6.569 5.452 1.00 0.00 N ATOM 0 H ARG A 20 -2.825 2.253 7.992 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.870 0.607 8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.762 2.656 6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.252 1.892 7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.073 2.857 9.485 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.447 3.429 9.169 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.953 4.348 7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.137 5.243 8.968 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.122 4.788 7.127 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.389 6.132 6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.950 7.242 5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.585 6.226 5.466 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.819 7.295 4.789 1.00 0.00 H new ATOM 291 N PHE A 21 -3.847 -0.119 5.954 1.00 0.00 N ATOM 292 CA PHE A 21 -3.919 -1.135 4.905 1.00 0.00 C ATOM 293 C PHE A 21 -3.504 -2.495 5.446 1.00 0.00 C ATOM 294 O PHE A 21 -4.203 -3.494 5.268 1.00 0.00 O ATOM 295 CB PHE A 21 -3.011 -0.756 3.735 1.00 0.00 C ATOM 296 CG PHE A 21 -3.069 -1.733 2.596 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.192 -1.807 1.790 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.005 -2.581 2.335 1.00 0.00 C ATOM 299 CE1 PHE A 21 -4.254 -2.707 0.747 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.061 -3.484 1.291 1.00 0.00 C ATOM 301 CZ PHE A 21 -3.188 -3.548 0.497 1.00 0.00 C ATOM 0 H PHE A 21 -3.139 0.598 5.798 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.951 -1.190 4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.292 0.232 3.371 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.983 -0.684 4.091 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.029 -1.152 1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.122 -2.536 2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.136 -2.754 0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.224 -4.139 1.097 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.236 -4.255 -0.318 1.00 0.00 H new ATOM 311 N TYR A 22 -2.362 -2.503 6.114 1.00 0.00 N ATOM 312 CA TYR A 22 -1.785 -3.703 6.703 1.00 0.00 C ATOM 313 C TYR A 22 -2.791 -4.386 7.627 1.00 0.00 C ATOM 314 O TYR A 22 -2.870 -5.612 7.685 1.00 0.00 O ATOM 315 CB TYR A 22 -0.522 -3.284 7.464 1.00 0.00 C ATOM 316 CG TYR A 22 0.237 -4.390 8.163 1.00 0.00 C ATOM 317 CD1 TYR A 22 -0.039 -4.728 9.482 1.00 0.00 C ATOM 318 CD2 TYR A 22 1.260 -5.065 7.513 1.00 0.00 C ATOM 319 CE1 TYR A 22 0.677 -5.715 10.129 1.00 0.00 C ATOM 320 CE2 TYR A 22 1.985 -6.048 8.153 1.00 0.00 C ATOM 321 CZ TYR A 22 1.690 -6.371 9.462 1.00 0.00 C ATOM 322 OH TYR A 22 2.418 -7.345 10.106 1.00 0.00 O ATOM 0 H TYR A 22 -1.801 -1.665 6.265 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.528 -4.426 5.928 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.154 -2.796 6.762 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.802 -2.538 8.208 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.826 -4.210 10.010 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.493 -4.816 6.488 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.445 -5.972 11.152 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.779 -6.562 7.633 1.00 0.00 H new ATOM 0 HH TYR A 22 1.839 -7.825 10.734 1.00 0.00 H new ATOM 332 N LYS A 23 -3.566 -3.581 8.338 1.00 0.00 N ATOM 333 CA LYS A 23 -4.591 -4.099 9.227 1.00 0.00 C ATOM 334 C LYS A 23 -5.853 -4.468 8.461 1.00 0.00 C ATOM 335 O LYS A 23 -6.396 -5.558 8.639 1.00 0.00 O ATOM 336 CB LYS A 23 -4.912 -3.086 10.307 1.00 0.00 C ATOM 337 CG LYS A 23 -3.699 -2.666 11.115 1.00 0.00 C ATOM 338 CD LYS A 23 -2.952 -3.873 11.648 1.00 0.00 C ATOM 339 CE LYS A 23 -3.710 -4.543 12.781 1.00 0.00 C ATOM 340 NZ LYS A 23 -2.991 -5.737 13.296 1.00 0.00 N ATOM 0 H LYS A 23 -3.503 -2.563 8.315 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.203 -5.005 9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.357 -2.204 9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.660 -3.507 10.979 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.033 -2.068 10.493 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.013 -2.033 11.945 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.794 -4.589 10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.967 -3.566 12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.857 -3.830 13.592 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.700 -4.837 12.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.540 -6.167 14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.873 -6.429 12.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.056 -5.452 13.652 1.00 0.00 H new ATOM 354 N SER A 24 -6.293 -3.566 7.589 1.00 0.00 N ATOM 355 CA SER A 24 -7.526 -3.747 6.829 1.00 0.00 C ATOM 356 C SER A 24 -7.499 -5.047 6.038 1.00 0.00 C ATOM 357 O SER A 24 -8.522 -5.704 5.874 1.00 0.00 O ATOM 358 CB SER A 24 -7.738 -2.564 5.874 1.00 0.00 C ATOM 359 OG SER A 24 -9.002 -2.627 5.232 1.00 0.00 O ATOM 0 H SER A 24 -5.807 -2.692 7.389 1.00 0.00 H new ATOM 0 HA SER A 24 -8.353 -3.793 7.538 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.658 -1.629 6.429 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.948 -2.557 5.123 1.00 0.00 H new ATOM 0 HG SER A 24 -9.214 -1.754 4.841 1.00 0.00 H new ATOM 365 N LEU A 25 -6.322 -5.431 5.576 1.00 0.00 N ATOM 366 CA LEU A 25 -6.193 -6.612 4.737 1.00 0.00 C ATOM 367 C LEU A 25 -6.356 -7.878 5.568 1.00 0.00 C ATOM 368 O LEU A 25 -6.906 -8.875 5.101 1.00 0.00 O ATOM 369 CB LEU A 25 -4.845 -6.598 4.021 1.00 0.00 C ATOM 370 CG LEU A 25 -4.915 -6.828 2.511 1.00 0.00 C ATOM 371 CD1 LEU A 25 -5.898 -5.855 1.860 1.00 0.00 C ATOM 372 CD2 LEU A 25 -3.530 -6.684 1.901 1.00 0.00 C ATOM 0 H LEU A 25 -5.445 -4.946 5.766 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.983 -6.600 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.362 -5.638 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.208 -7.365 4.461 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.275 -7.840 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.932 -6.036 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.891 -6.003 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.573 -4.831 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.587 -6.849 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.150 -5.681 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.858 -7.419 2.346 1.00 0.00 H new ATOM 384 N ILE A 26 -5.914 -7.828 6.815 1.00 0.00 N ATOM 385 CA ILE A 26 -6.061 -8.967 7.708 1.00 0.00 C ATOM 386 C ILE A 26 -7.482 -8.984 8.253 1.00 0.00 C ATOM 387 O ILE A 26 -8.084 -10.039 8.454 1.00 0.00 O ATOM 388 CB ILE A 26 -5.059 -8.911 8.884 1.00 0.00 C ATOM 389 CG1 ILE A 26 -3.644 -8.609 8.376 1.00 0.00 C ATOM 390 CG2 ILE A 26 -5.076 -10.217 9.669 1.00 0.00 C ATOM 391 CD1 ILE A 26 -3.144 -9.575 7.323 1.00 0.00 C ATOM 0 H ILE A 26 -5.454 -7.018 7.229 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.854 -9.875 7.141 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.364 -8.105 9.552 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.625 -7.600 7.965 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.956 -8.622 9.221 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.364 -10.156 10.492 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.076 -10.389 10.067 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.800 -11.041 9.011 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.137 -9.291 7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.128 -10.584 7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.807 -9.546 6.458 1.00 0.00 H new ATOM 403 N ASP A 27 -8.007 -7.785 8.464 1.00 0.00 N ATOM 404 CA ASP A 27 -9.378 -7.585 8.914 1.00 0.00 C ATOM 405 C ASP A 27 -10.367 -8.122 7.884 1.00 0.00 C ATOM 406 O ASP A 27 -11.341 -8.791 8.229 1.00 0.00 O ATOM 407 CB ASP A 27 -9.611 -6.092 9.155 1.00 0.00 C ATOM 408 CG ASP A 27 -11.052 -5.743 9.451 1.00 0.00 C ATOM 409 OD1 ASP A 27 -11.549 -6.112 10.531 1.00 0.00 O ATOM 410 OD2 ASP A 27 -11.675 -5.044 8.623 1.00 0.00 O ATOM 0 H ASP A 27 -7.490 -6.917 8.327 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.536 -8.132 9.843 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.989 -5.766 9.988 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.285 -5.536 8.276 1.00 0.00 H new ATOM 415 N ARG A 28 -10.096 -7.838 6.616 1.00 0.00 N ATOM 416 CA ARG A 28 -10.927 -8.327 5.524 1.00 0.00 C ATOM 417 C ARG A 28 -10.737 -9.828 5.325 1.00 0.00 C ATOM 418 O ARG A 28 -11.599 -10.503 4.761 1.00 0.00 O ATOM 419 CB ARG A 28 -10.620 -7.551 4.239 1.00 0.00 C ATOM 420 CG ARG A 28 -11.173 -6.133 4.268 1.00 0.00 C ATOM 421 CD ARG A 28 -10.475 -5.204 3.285 1.00 0.00 C ATOM 422 NE ARG A 28 -10.664 -5.597 1.891 1.00 0.00 N ATOM 423 CZ ARG A 28 -11.433 -4.934 1.026 1.00 0.00 C ATOM 424 NH1 ARG A 28 -12.192 -3.921 1.433 1.00 0.00 N ATOM 425 NH2 ARG A 28 -11.457 -5.306 -0.245 1.00 0.00 N ATOM 0 H ARG A 28 -9.304 -7.269 6.318 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.973 -8.162 5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.541 -7.514 4.090 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.041 -8.084 3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.239 -6.159 4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.072 -5.730 5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.850 -4.190 3.424 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.408 -5.183 3.509 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.178 -6.430 1.558 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.190 -3.644 2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.776 -3.421 0.763 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.890 -6.095 -0.556 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.043 -4.804 -0.912 1.00 0.00 H new ATOM 439 N GLY A 29 -9.614 -10.349 5.808 1.00 0.00 N ATOM 440 CA GLY A 29 -9.375 -11.780 5.765 1.00 0.00 C ATOM 441 C GLY A 29 -8.738 -12.203 4.465 1.00 0.00 C ATOM 442 O GLY A 29 -8.833 -13.361 4.052 1.00 0.00 O ATOM 0 H GLY A 29 -8.862 -9.803 6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.730 -12.066 6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.318 -12.310 5.897 1.00 0.00 H new ATOM 446 N VAL A 30 -8.094 -11.251 3.823 1.00 0.00 N ATOM 447 CA VAL A 30 -7.465 -11.462 2.543 1.00 0.00 C ATOM 448 C VAL A 30 -5.943 -11.537 2.718 1.00 0.00 C ATOM 449 O VAL A 30 -5.462 -12.196 3.644 1.00 0.00 O ATOM 450 CB VAL A 30 -7.889 -10.325 1.582 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.400 -10.314 1.416 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.427 -8.969 2.085 1.00 0.00 C ATOM 0 H VAL A 30 -7.993 -10.301 4.181 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.786 -12.409 2.109 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.414 -10.514 0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.686 -9.510 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.728 -11.269 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.871 -10.155 2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.742 -8.195 1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.866 -8.775 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.340 -8.963 2.168 1.00 0.00 H new ATOM 462 N ASN A 31 -5.210 -10.883 1.825 1.00 0.00 N ATOM 463 CA ASN A 31 -3.751 -10.782 1.899 1.00 0.00 C ATOM 464 C ASN A 31 -3.077 -12.104 1.511 1.00 0.00 C ATOM 465 O ASN A 31 -3.750 -13.058 1.122 1.00 0.00 O ATOM 466 CB ASN A 31 -3.328 -10.323 3.304 1.00 0.00 C ATOM 467 CG ASN A 31 -1.883 -9.868 3.389 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.229 -10.037 4.415 1.00 0.00 O ATOM 469 ND2 ASN A 31 -1.377 -9.276 2.315 1.00 0.00 N ATOM 0 H ASN A 31 -5.612 -10.402 1.020 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.418 -10.035 1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.976 -9.505 3.620 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.483 -11.142 4.006 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.413 -8.943 2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.952 -9.154 1.481 1.00 0.00 H new ATOM 476 N PHE A 32 -1.744 -12.125 1.590 1.00 0.00 N ATOM 477 CA PHE A 32 -0.916 -13.274 1.214 1.00 0.00 C ATOM 478 C PHE A 32 -0.842 -13.437 -0.305 1.00 0.00 C ATOM 479 O PHE A 32 0.246 -13.432 -0.881 1.00 0.00 O ATOM 480 CB PHE A 32 -1.404 -14.571 1.870 1.00 0.00 C ATOM 481 CG PHE A 32 -0.434 -15.707 1.717 1.00 0.00 C ATOM 482 CD1 PHE A 32 0.701 -15.767 2.507 1.00 0.00 C ATOM 483 CD2 PHE A 32 -0.650 -16.707 0.782 1.00 0.00 C ATOM 484 CE1 PHE A 32 1.604 -16.801 2.372 1.00 0.00 C ATOM 485 CE2 PHE A 32 0.249 -17.746 0.642 1.00 0.00 C ATOM 486 CZ PHE A 32 1.378 -17.793 1.437 1.00 0.00 C ATOM 0 H PHE A 32 -1.200 -11.329 1.923 1.00 0.00 H new ATOM 0 HA PHE A 32 0.089 -13.071 1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.580 -14.391 2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.361 -14.856 1.432 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.882 -14.994 3.239 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.530 -16.673 0.157 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.485 -16.835 2.995 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.070 -18.521 -0.088 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.083 -18.604 1.328 1.00 0.00 H new ATOM 496 N SER A 33 -1.993 -13.572 -0.946 1.00 0.00 N ATOM 497 CA SER A 33 -2.053 -13.724 -2.394 1.00 0.00 C ATOM 498 C SER A 33 -1.605 -12.437 -3.079 1.00 0.00 C ATOM 499 O SER A 33 -2.267 -11.408 -2.972 1.00 0.00 O ATOM 500 CB SER A 33 -3.481 -14.058 -2.815 1.00 0.00 C ATOM 501 OG SER A 33 -4.049 -15.032 -1.958 1.00 0.00 O ATOM 0 H SER A 33 -2.903 -13.580 -0.485 1.00 0.00 H new ATOM 0 HA SER A 33 -1.386 -14.533 -2.692 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.090 -13.154 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.485 -14.425 -3.841 1.00 0.00 H new ATOM 0 HG SER A 33 -4.965 -15.228 -2.247 1.00 0.00 H new ATOM 507 N LEU A 34 -0.478 -12.514 -3.787 1.00 0.00 N ATOM 508 CA LEU A 34 0.121 -11.355 -4.452 1.00 0.00 C ATOM 509 C LEU A 34 -0.865 -10.668 -5.389 1.00 0.00 C ATOM 510 O LEU A 34 -0.926 -9.441 -5.442 1.00 0.00 O ATOM 511 CB LEU A 34 1.363 -11.775 -5.242 1.00 0.00 C ATOM 512 CG LEU A 34 2.511 -12.343 -4.408 1.00 0.00 C ATOM 513 CD1 LEU A 34 3.693 -12.690 -5.297 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.929 -11.355 -3.335 1.00 0.00 C ATOM 0 H LEU A 34 0.045 -13.380 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 34 0.403 -10.647 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.068 -12.522 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.731 -10.910 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 34 2.164 -13.255 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.501 -13.093 -4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.389 -13.434 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.038 -11.792 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.747 -11.776 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.257 -10.427 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.083 -11.151 -2.679 1.00 0.00 H new ATOM 526 N ASP A 35 -1.634 -11.467 -6.119 1.00 0.00 N ATOM 527 CA ASP A 35 -2.626 -10.941 -7.053 1.00 0.00 C ATOM 528 C ASP A 35 -3.685 -10.143 -6.300 1.00 0.00 C ATOM 529 O ASP A 35 -4.134 -9.087 -6.748 1.00 0.00 O ATOM 530 CB ASP A 35 -3.285 -12.092 -7.820 1.00 0.00 C ATOM 531 CG ASP A 35 -4.234 -11.614 -8.901 1.00 0.00 C ATOM 532 OD1 ASP A 35 -3.782 -11.423 -10.050 1.00 0.00 O ATOM 533 OD2 ASP A 35 -5.437 -11.442 -8.615 1.00 0.00 O ATOM 0 H ASP A 35 -1.590 -12.485 -6.083 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.126 -10.281 -7.763 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.510 -12.711 -8.272 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.830 -12.724 -7.119 1.00 0.00 H new ATOM 538 N THR A 36 -4.053 -10.653 -5.138 1.00 0.00 N ATOM 539 CA THR A 36 -5.046 -10.021 -4.291 1.00 0.00 C ATOM 540 C THR A 36 -4.488 -8.787 -3.605 1.00 0.00 C ATOM 541 O THR A 36 -5.162 -7.756 -3.521 1.00 0.00 O ATOM 542 CB THR A 36 -5.560 -11.026 -3.240 1.00 0.00 C ATOM 543 OG1 THR A 36 -6.343 -12.040 -3.883 1.00 0.00 O ATOM 544 CG2 THR A 36 -6.372 -10.339 -2.152 1.00 0.00 C ATOM 0 H THR A 36 -3.671 -11.518 -4.756 1.00 0.00 H new ATOM 0 HA THR A 36 -5.875 -9.704 -4.924 1.00 0.00 H new ATOM 0 HB THR A 36 -4.696 -11.484 -2.760 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.666 -12.678 -3.213 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.716 -11.081 -1.431 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.750 -9.601 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.233 -9.842 -2.599 1.00 0.00 H new ATOM 552 N ILE A 37 -3.256 -8.884 -3.130 1.00 0.00 N ATOM 553 CA ILE A 37 -2.609 -7.757 -2.494 1.00 0.00 C ATOM 554 C ILE A 37 -2.529 -6.600 -3.472 1.00 0.00 C ATOM 555 O ILE A 37 -2.648 -5.450 -3.081 1.00 0.00 O ATOM 556 CB ILE A 37 -1.197 -8.114 -1.993 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.259 -9.332 -1.078 1.00 0.00 C ATOM 558 CG2 ILE A 37 -0.579 -6.933 -1.256 1.00 0.00 C ATOM 559 CD1 ILE A 37 0.097 -9.897 -0.737 1.00 0.00 C ATOM 0 H ILE A 37 -2.689 -9.731 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.206 -7.474 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.571 -8.350 -2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.772 -9.058 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.857 -10.107 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.418 -7.202 -0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.510 -6.079 -1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.202 -6.671 -0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.023 -10.761 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.605 -10.202 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.690 -9.137 -0.229 1.00 0.00 H new ATOM 571 N GLU A 38 -2.357 -6.920 -4.751 1.00 0.00 N ATOM 572 CA GLU A 38 -2.329 -5.901 -5.786 1.00 0.00 C ATOM 573 C GLU A 38 -3.691 -5.237 -5.931 1.00 0.00 C ATOM 574 O GLU A 38 -3.808 -4.017 -5.843 1.00 0.00 O ATOM 575 CB GLU A 38 -1.886 -6.484 -7.129 1.00 0.00 C ATOM 576 CG GLU A 38 -1.846 -5.448 -8.242 1.00 0.00 C ATOM 577 CD GLU A 38 -1.454 -6.029 -9.582 1.00 0.00 C ATOM 578 OE1 GLU A 38 -2.178 -6.911 -10.084 1.00 0.00 O ATOM 579 OE2 GLU A 38 -0.441 -5.581 -10.158 1.00 0.00 O ATOM 0 H GLU A 38 -2.236 -7.874 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.602 -5.148 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.897 -6.928 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.566 -7.287 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.826 -4.979 -8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.140 -4.662 -7.973 1.00 0.00 H new ATOM 586 N LYS A 39 -4.717 -6.049 -6.135 1.00 0.00 N ATOM 587 CA LYS A 39 -6.065 -5.540 -6.342 1.00 0.00 C ATOM 588 C LYS A 39 -6.509 -4.666 -5.173 1.00 0.00 C ATOM 589 O LYS A 39 -6.913 -3.522 -5.364 1.00 0.00 O ATOM 590 CB LYS A 39 -7.050 -6.697 -6.526 1.00 0.00 C ATOM 591 CG LYS A 39 -8.493 -6.245 -6.684 1.00 0.00 C ATOM 592 CD LYS A 39 -8.676 -5.394 -7.928 1.00 0.00 C ATOM 593 CE LYS A 39 -10.043 -4.732 -7.952 1.00 0.00 C ATOM 594 NZ LYS A 39 -11.147 -5.724 -7.851 1.00 0.00 N ATOM 0 H LYS A 39 -4.642 -7.066 -6.162 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.055 -4.930 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.760 -7.274 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.979 -7.365 -5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.145 -7.117 -6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.796 -5.676 -5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.900 -4.630 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.555 -6.015 -8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.117 -4.023 -7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.153 -4.161 -8.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.055 -5.253 -8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.998 -6.482 -8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.161 -6.131 -6.894 1.00 0.00 H new ATOM 608 N GLU A 40 -6.403 -5.203 -3.970 1.00 0.00 N ATOM 609 CA GLU A 40 -6.889 -4.515 -2.782 1.00 0.00 C ATOM 610 C GLU A 40 -5.972 -3.370 -2.377 1.00 0.00 C ATOM 611 O GLU A 40 -6.401 -2.449 -1.682 1.00 0.00 O ATOM 612 CB GLU A 40 -7.104 -5.505 -1.636 1.00 0.00 C ATOM 613 CG GLU A 40 -8.513 -6.075 -1.642 1.00 0.00 C ATOM 614 CD GLU A 40 -8.703 -7.295 -0.780 1.00 0.00 C ATOM 615 OE1 GLU A 40 -8.535 -8.418 -1.296 1.00 0.00 O ATOM 616 OE2 GLU A 40 -9.078 -7.135 0.397 1.00 0.00 O ATOM 0 H GLU A 40 -5.984 -6.115 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.854 -4.070 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.382 -6.318 -1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.917 -5.007 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.205 -5.301 -1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.784 -6.326 -2.667 1.00 0.00 H new ATOM 623 N LEU A 41 -4.724 -3.409 -2.829 1.00 0.00 N ATOM 624 CA LEU A 41 -3.817 -2.283 -2.639 1.00 0.00 C ATOM 625 C LEU A 41 -4.367 -1.081 -3.386 1.00 0.00 C ATOM 626 O LEU A 41 -4.439 0.025 -2.850 1.00 0.00 O ATOM 627 CB LEU A 41 -2.413 -2.628 -3.144 1.00 0.00 C ATOM 628 CG LEU A 41 -1.331 -1.577 -2.893 1.00 0.00 C ATOM 629 CD1 LEU A 41 -1.183 -1.297 -1.406 1.00 0.00 C ATOM 630 CD2 LEU A 41 -0.006 -2.038 -3.481 1.00 0.00 C ATOM 0 H LEU A 41 -4.319 -4.202 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.742 -2.053 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.100 -3.561 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.470 -2.812 -4.217 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.631 -0.651 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.408 -0.546 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.129 -0.928 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.906 -2.216 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.757 -1.282 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.293 -2.976 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.117 -2.187 -4.555 1.00 0.00 H new ATOM 642 N ILE A 42 -4.791 -1.323 -4.619 1.00 0.00 N ATOM 643 CA ILE A 42 -5.390 -0.288 -5.439 1.00 0.00 C ATOM 644 C ILE A 42 -6.783 0.065 -4.915 1.00 0.00 C ATOM 645 O ILE A 42 -7.110 1.239 -4.741 1.00 0.00 O ATOM 646 CB ILE A 42 -5.462 -0.729 -6.924 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.126 -0.475 -7.633 1.00 0.00 C ATOM 648 CG2 ILE A 42 -6.591 -0.025 -7.659 1.00 0.00 C ATOM 649 CD1 ILE A 42 -2.991 -1.358 -7.161 1.00 0.00 C ATOM 0 H ILE A 42 -4.729 -2.235 -5.072 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.760 0.600 -5.382 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.667 -1.799 -6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.263 -0.622 -8.704 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.844 0.568 -7.488 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.613 -0.357 -8.697 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.541 -0.265 -7.181 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.430 1.053 -7.626 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.084 -1.112 -7.714 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.822 -1.195 -6.097 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.248 -2.403 -7.332 1.00 0.00 H new ATOM 661 N SER A 43 -7.585 -0.961 -4.633 1.00 0.00 N ATOM 662 CA SER A 43 -8.947 -0.769 -4.148 1.00 0.00 C ATOM 663 C SER A 43 -8.976 0.103 -2.893 1.00 0.00 C ATOM 664 O SER A 43 -9.699 1.098 -2.839 1.00 0.00 O ATOM 665 CB SER A 43 -9.602 -2.122 -3.860 1.00 0.00 C ATOM 666 OG SER A 43 -9.671 -2.920 -5.032 1.00 0.00 O ATOM 0 H SER A 43 -7.311 -1.938 -4.734 1.00 0.00 H new ATOM 0 HA SER A 43 -9.509 -0.256 -4.928 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.034 -2.648 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.605 -1.966 -3.464 1.00 0.00 H new ATOM 0 HG SER A 43 -8.772 -3.225 -5.273 1.00 0.00 H new ATOM 672 N PHE A 44 -8.177 -0.265 -1.896 1.00 0.00 N ATOM 673 CA PHE A 44 -8.126 0.478 -0.643 1.00 0.00 C ATOM 674 C PHE A 44 -7.605 1.889 -0.884 1.00 0.00 C ATOM 675 O PHE A 44 -8.174 2.861 -0.388 1.00 0.00 O ATOM 676 CB PHE A 44 -7.234 -0.252 0.369 1.00 0.00 C ATOM 677 CG PHE A 44 -7.133 0.428 1.708 1.00 0.00 C ATOM 678 CD1 PHE A 44 -8.075 0.188 2.695 1.00 0.00 C ATOM 679 CD2 PHE A 44 -6.090 1.302 1.981 1.00 0.00 C ATOM 680 CE1 PHE A 44 -7.981 0.808 3.927 1.00 0.00 C ATOM 681 CE2 PHE A 44 -5.991 1.924 3.211 1.00 0.00 C ATOM 682 CZ PHE A 44 -6.938 1.675 4.185 1.00 0.00 C ATOM 0 H PHE A 44 -7.556 -1.074 -1.932 1.00 0.00 H new ATOM 0 HA PHE A 44 -9.135 0.545 -0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.620 -1.261 0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.233 -0.351 -0.051 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.892 -0.491 2.500 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.347 1.498 1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.723 0.614 4.687 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.175 2.603 3.410 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.863 2.158 5.148 1.00 0.00 H new ATOM 692 N CYS A 45 -6.541 1.988 -1.674 1.00 0.00 N ATOM 693 CA CYS A 45 -5.869 3.258 -1.913 1.00 0.00 C ATOM 694 C CYS A 45 -6.746 4.269 -2.639 1.00 0.00 C ATOM 695 O CYS A 45 -6.753 5.447 -2.302 1.00 0.00 O ATOM 696 CB CYS A 45 -4.611 3.046 -2.729 1.00 0.00 C ATOM 697 SG CYS A 45 -3.939 4.595 -3.384 1.00 0.00 S ATOM 0 H CYS A 45 -6.124 1.196 -2.163 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.630 3.660 -0.928 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.857 2.560 -2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.828 2.370 -3.556 1.00 0.00 H new ATOM 702 N LEU A 46 -7.454 3.829 -3.656 1.00 0.00 N ATOM 703 CA LEU A 46 -8.314 4.729 -4.414 1.00 0.00 C ATOM 704 C LEU A 46 -9.615 4.996 -3.670 1.00 0.00 C ATOM 705 O LEU A 46 -10.355 5.924 -3.999 1.00 0.00 O ATOM 706 CB LEU A 46 -8.596 4.175 -5.816 1.00 0.00 C ATOM 707 CG LEU A 46 -7.518 4.453 -6.875 1.00 0.00 C ATOM 708 CD1 LEU A 46 -7.287 5.948 -7.026 1.00 0.00 C ATOM 709 CD2 LEU A 46 -6.214 3.742 -6.541 1.00 0.00 C ATOM 0 H LEU A 46 -7.456 2.862 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.786 5.676 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.733 3.096 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.540 4.592 -6.168 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.878 4.059 -7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.520 6.123 -7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.215 6.430 -7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.960 6.364 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.473 3.960 -7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.847 4.090 -5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.387 2.667 -6.498 1.00 0.00 H new ATOM 721 N ASP A 47 -9.885 4.182 -2.661 1.00 0.00 N ATOM 722 CA ASP A 47 -11.069 4.359 -1.831 1.00 0.00 C ATOM 723 C ASP A 47 -10.834 5.448 -0.786 1.00 0.00 C ATOM 724 O ASP A 47 -11.776 6.052 -0.277 1.00 0.00 O ATOM 725 CB ASP A 47 -11.432 3.038 -1.150 1.00 0.00 C ATOM 726 CG ASP A 47 -12.659 3.146 -0.272 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.785 3.166 -0.816 1.00 0.00 O ATOM 728 OD2 ASP A 47 -12.505 3.203 0.964 1.00 0.00 O ATOM 0 H ASP A 47 -9.299 3.390 -2.396 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.898 4.668 -2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.602 2.277 -1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.588 2.702 -0.547 1.00 0.00 H new ATOM 733 N THR A 48 -9.564 5.692 -0.477 1.00 0.00 N ATOM 734 CA THR A 48 -9.180 6.716 0.487 1.00 0.00 C ATOM 735 C THR A 48 -9.333 8.126 -0.090 1.00 0.00 C ATOM 736 O THR A 48 -9.963 8.313 -1.133 1.00 0.00 O ATOM 737 CB THR A 48 -7.731 6.499 0.951 1.00 0.00 C ATOM 738 OG1 THR A 48 -7.121 5.471 0.172 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.686 6.089 2.407 1.00 0.00 C ATOM 0 H THR A 48 -8.777 5.188 -0.885 1.00 0.00 H new ATOM 0 HA THR A 48 -9.852 6.626 1.341 1.00 0.00 H new ATOM 0 HB THR A 48 -7.194 7.439 0.825 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.754 5.858 -0.650 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.650 5.941 2.712 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.136 6.870 3.019 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.239 5.159 2.540 1.00 0.00 H new ATOM 747 N LYS A 49 -8.752 9.116 0.577 1.00 0.00 N ATOM 748 CA LYS A 49 -8.899 10.504 0.157 1.00 0.00 C ATOM 749 C LYS A 49 -7.752 10.932 -0.742 1.00 0.00 C ATOM 750 O LYS A 49 -6.759 10.224 -0.861 1.00 0.00 O ATOM 751 CB LYS A 49 -8.979 11.420 1.379 1.00 0.00 C ATOM 752 CG LYS A 49 -9.939 10.923 2.445 1.00 0.00 C ATOM 753 CD LYS A 49 -9.885 11.787 3.693 1.00 0.00 C ATOM 754 CE LYS A 49 -10.631 11.140 4.848 1.00 0.00 C ATOM 755 NZ LYS A 49 -10.016 9.846 5.245 1.00 0.00 N ATOM 0 H LYS A 49 -8.176 8.984 1.409 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.824 10.586 -0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.985 11.520 1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.288 12.415 1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.954 10.919 2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.694 9.893 2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.846 11.954 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.318 12.764 3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.637 11.817 5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.670 10.977 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.300 9.611 6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.337 9.096 4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.980 9.925 5.196 1.00 0.00 H new ATOM 769 N GLY A 50 -7.892 12.111 -1.340 1.00 0.00 N ATOM 770 CA GLY A 50 -7.009 12.540 -2.412 1.00 0.00 C ATOM 771 C GLY A 50 -5.532 12.462 -2.081 1.00 0.00 C ATOM 772 O GLY A 50 -4.743 11.997 -2.901 1.00 0.00 O ATOM 0 H GLY A 50 -8.615 12.788 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.204 11.928 -3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.255 13.568 -2.678 1.00 0.00 H new ATOM 776 N LYS A 51 -5.151 12.922 -0.897 1.00 0.00 N ATOM 777 CA LYS A 51 -3.750 12.881 -0.477 1.00 0.00 C ATOM 778 C LYS A 51 -3.239 11.444 -0.476 1.00 0.00 C ATOM 779 O LYS A 51 -2.127 11.157 -0.922 1.00 0.00 O ATOM 780 CB LYS A 51 -3.594 13.474 0.926 1.00 0.00 C ATOM 781 CG LYS A 51 -2.177 13.924 1.248 1.00 0.00 C ATOM 782 CD LYS A 51 -1.737 15.064 0.340 1.00 0.00 C ATOM 783 CE LYS A 51 -2.612 16.297 0.523 1.00 0.00 C ATOM 784 NZ LYS A 51 -2.225 17.393 -0.402 1.00 0.00 N ATOM 0 H LYS A 51 -5.787 13.327 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.166 13.472 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.267 14.325 1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.905 12.732 1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.123 14.244 2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.492 13.083 1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.699 15.319 0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.779 14.739 -0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.655 16.030 0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.536 16.647 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.787 18.242 -0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.214 17.608 -0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.402 17.098 -1.383 1.00 0.00 H new ATOM 798 N GLU A 52 -4.085 10.554 0.009 1.00 0.00 N ATOM 799 CA GLU A 52 -3.753 9.148 0.146 1.00 0.00 C ATOM 800 C GLU A 52 -3.834 8.451 -1.210 1.00 0.00 C ATOM 801 O GLU A 52 -3.054 7.548 -1.501 1.00 0.00 O ATOM 802 CB GLU A 52 -4.717 8.516 1.148 1.00 0.00 C ATOM 803 CG GLU A 52 -4.842 9.333 2.426 1.00 0.00 C ATOM 804 CD GLU A 52 -6.067 8.981 3.239 1.00 0.00 C ATOM 805 OE1 GLU A 52 -7.190 9.191 2.747 1.00 0.00 O ATOM 806 OE2 GLU A 52 -5.914 8.501 4.377 1.00 0.00 O ATOM 0 H GLU A 52 -5.028 10.788 0.321 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.732 9.038 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.700 8.413 0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.374 7.511 1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.952 9.180 3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.875 10.392 2.171 1.00 0.00 H new ATOM 813 N ASN A 53 -4.780 8.891 -2.036 1.00 0.00 N ATOM 814 CA ASN A 53 -4.899 8.402 -3.407 1.00 0.00 C ATOM 815 C ASN A 53 -3.631 8.761 -4.180 1.00 0.00 C ATOM 816 O ASN A 53 -3.009 7.912 -4.825 1.00 0.00 O ATOM 817 CB ASN A 53 -6.106 9.033 -4.133 1.00 0.00 C ATOM 818 CG ASN A 53 -7.434 8.922 -3.412 1.00 0.00 C ATOM 819 OD1 ASN A 53 -8.282 9.805 -3.534 1.00 0.00 O ATOM 820 ND2 ASN A 53 -7.652 7.840 -2.695 1.00 0.00 N ATOM 0 H ASN A 53 -5.478 9.588 -1.778 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.042 7.322 -3.366 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.893 10.088 -4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.204 8.564 -5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.546 7.715 -2.220 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.927 7.127 -2.615 1.00 0.00 H new ATOM 827 N ARG A 54 -3.258 10.035 -4.092 1.00 0.00 N ATOM 828 CA ARG A 54 -2.100 10.576 -4.798 1.00 0.00 C ATOM 829 C ARG A 54 -0.816 9.882 -4.362 1.00 0.00 C ATOM 830 O ARG A 54 0.099 9.683 -5.165 1.00 0.00 O ATOM 831 CB ARG A 54 -1.992 12.081 -4.531 1.00 0.00 C ATOM 832 CG ARG A 54 -0.835 12.760 -5.243 1.00 0.00 C ATOM 833 CD ARG A 54 -0.977 12.658 -6.752 1.00 0.00 C ATOM 834 NE ARG A 54 0.009 13.477 -7.447 1.00 0.00 N ATOM 835 CZ ARG A 54 -0.260 14.678 -7.954 1.00 0.00 C ATOM 836 NH1 ARG A 54 -1.482 15.185 -7.845 1.00 0.00 N ATOM 837 NH2 ARG A 54 0.685 15.363 -8.575 1.00 0.00 N ATOM 0 H ARG A 54 -3.753 10.724 -3.526 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.236 10.400 -5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.922 12.560 -4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.888 12.241 -3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.791 13.809 -4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.104 12.302 -4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.865 11.618 -7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.980 12.970 -7.044 1.00 0.00 H new ATOM 0 HE ARG A 54 0.955 13.110 -7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.214 14.654 -7.373 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.689 16.105 -8.233 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.622 14.971 -8.666 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.477 16.283 -8.963 1.00 0.00 H new ATOM 851 N LEU A 55 -0.771 9.514 -3.088 1.00 0.00 N ATOM 852 CA LEU A 55 0.382 8.847 -2.500 1.00 0.00 C ATOM 853 C LEU A 55 0.786 7.630 -3.328 1.00 0.00 C ATOM 854 O LEU A 55 1.971 7.365 -3.527 1.00 0.00 O ATOM 855 CB LEU A 55 0.036 8.405 -1.076 1.00 0.00 C ATOM 856 CG LEU A 55 1.138 8.563 -0.030 1.00 0.00 C ATOM 857 CD1 LEU A 55 0.651 8.027 1.301 1.00 0.00 C ATOM 858 CD2 LEU A 55 2.415 7.869 -0.450 1.00 0.00 C ATOM 0 H LEU A 55 -1.536 9.671 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 55 1.219 9.545 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.834 8.972 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.259 7.356 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 55 1.368 9.624 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.437 8.139 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.232 8.583 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.397 6.972 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.174 8.005 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.223 6.805 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.770 8.296 -1.388 1.00 0.00 H new ATOM 870 N CYS A 56 -0.204 6.920 -3.844 1.00 0.00 N ATOM 871 CA CYS A 56 0.033 5.646 -4.504 1.00 0.00 C ATOM 872 C CYS A 56 0.703 5.793 -5.861 1.00 0.00 C ATOM 873 O CYS A 56 1.211 4.817 -6.404 1.00 0.00 O ATOM 874 CB CYS A 56 -1.265 4.878 -4.630 1.00 0.00 C ATOM 875 SG CYS A 56 -1.967 4.423 -3.029 1.00 0.00 S ATOM 0 H CYS A 56 -1.183 7.205 -3.818 1.00 0.00 H new ATOM 0 HA CYS A 56 0.729 5.088 -3.878 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -1.987 5.482 -5.180 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.092 3.975 -5.216 1.00 0.00 H new ATOM 880 N TYR A 57 0.724 6.996 -6.411 1.00 0.00 N ATOM 881 CA TYR A 57 1.481 7.227 -7.630 1.00 0.00 C ATOM 882 C TYR A 57 2.967 7.117 -7.324 1.00 0.00 C ATOM 883 O TYR A 57 3.752 6.646 -8.145 1.00 0.00 O ATOM 884 CB TYR A 57 1.150 8.589 -8.245 1.00 0.00 C ATOM 885 CG TYR A 57 -0.230 8.648 -8.858 1.00 0.00 C ATOM 886 CD1 TYR A 57 -0.518 7.954 -10.028 1.00 0.00 C ATOM 887 CD2 TYR A 57 -1.246 9.388 -8.270 1.00 0.00 C ATOM 888 CE1 TYR A 57 -1.778 7.997 -10.592 1.00 0.00 C ATOM 889 CE2 TYR A 57 -2.509 9.437 -8.830 1.00 0.00 C ATOM 890 CZ TYR A 57 -2.769 8.738 -9.990 1.00 0.00 C ATOM 891 OH TYR A 57 -4.028 8.778 -10.546 1.00 0.00 O ATOM 0 H TYR A 57 0.236 7.812 -6.042 1.00 0.00 H new ATOM 0 HA TYR A 57 1.205 6.470 -8.364 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.231 9.357 -7.476 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.890 8.824 -9.010 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.257 7.371 -10.504 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.047 9.935 -7.360 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.984 7.452 -11.501 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.288 10.020 -8.361 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.610 9.345 -9.998 1.00 0.00 H new ATOM 901 N TYR A 58 3.338 7.545 -6.124 1.00 0.00 N ATOM 902 CA TYR A 58 4.710 7.426 -5.659 1.00 0.00 C ATOM 903 C TYR A 58 4.933 6.064 -4.995 1.00 0.00 C ATOM 904 O TYR A 58 5.959 5.424 -5.212 1.00 0.00 O ATOM 905 CB TYR A 58 5.044 8.553 -4.682 1.00 0.00 C ATOM 906 CG TYR A 58 4.615 9.922 -5.161 1.00 0.00 C ATOM 907 CD1 TYR A 58 5.374 10.628 -6.085 1.00 0.00 C ATOM 908 CD2 TYR A 58 3.445 10.504 -4.691 1.00 0.00 C ATOM 909 CE1 TYR A 58 4.980 11.878 -6.525 1.00 0.00 C ATOM 910 CE2 TYR A 58 3.044 11.751 -5.127 1.00 0.00 C ATOM 911 CZ TYR A 58 3.814 12.434 -6.042 1.00 0.00 C ATOM 912 OH TYR A 58 3.415 13.676 -6.479 1.00 0.00 O ATOM 0 H TYR A 58 2.703 7.979 -5.454 1.00 0.00 H new ATOM 0 HA TYR A 58 5.373 7.506 -6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.564 8.346 -3.725 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.119 8.561 -4.504 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.287 10.194 -6.466 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.839 9.972 -3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.582 12.416 -7.243 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.131 12.189 -4.752 1.00 0.00 H new ATOM 0 HH TYR A 58 2.573 13.921 -6.042 1.00 0.00 H new ATOM 922 N LEU A 59 3.959 5.632 -4.184 1.00 0.00 N ATOM 923 CA LEU A 59 4.023 4.330 -3.508 1.00 0.00 C ATOM 924 C LEU A 59 4.089 3.186 -4.512 1.00 0.00 C ATOM 925 O LEU A 59 4.715 2.161 -4.258 1.00 0.00 O ATOM 926 CB LEU A 59 2.800 4.106 -2.606 1.00 0.00 C ATOM 927 CG LEU A 59 2.791 4.847 -1.264 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.525 4.510 -0.495 1.00 0.00 C ATOM 929 CD2 LEU A 59 4.016 4.477 -0.441 1.00 0.00 C ATOM 0 H LEU A 59 3.115 6.167 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 59 4.929 4.341 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.909 4.398 -3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.716 3.038 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 59 2.816 5.919 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.526 5.040 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.654 4.811 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.485 3.436 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.992 5.013 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.017 3.404 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.918 4.749 -0.989 1.00 0.00 H new ATOM 941 N GLY A 60 3.414 3.358 -5.638 1.00 0.00 N ATOM 942 CA GLY A 60 3.373 2.319 -6.641 1.00 0.00 C ATOM 943 C GLY A 60 2.053 1.581 -6.637 1.00 0.00 C ATOM 944 O GLY A 60 1.789 0.772 -7.521 1.00 0.00 O ATOM 0 H GLY A 60 2.893 4.202 -5.874 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.540 2.758 -7.625 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.184 1.613 -6.465 1.00 0.00 H new ATOM 948 N ALA A 61 1.212 1.884 -5.651 1.00 0.00 N ATOM 949 CA ALA A 61 -0.088 1.231 -5.503 1.00 0.00 C ATOM 950 C ALA A 61 -1.101 1.766 -6.513 1.00 0.00 C ATOM 951 O ALA A 61 -2.229 2.117 -6.165 1.00 0.00 O ATOM 952 CB ALA A 61 -0.609 1.424 -4.088 1.00 0.00 C ATOM 0 H ALA A 61 1.410 2.584 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 61 0.047 0.167 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.578 0.934 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.094 0.987 -3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.718 2.489 -3.882 1.00 0.00 H new ATOM 958 N THR A 62 -0.686 1.833 -7.762 1.00 0.00 N ATOM 959 CA THR A 62 -1.528 2.311 -8.839 1.00 0.00 C ATOM 960 C THR A 62 -1.039 1.715 -10.152 1.00 0.00 C ATOM 961 O THR A 62 0.109 1.927 -10.547 1.00 0.00 O ATOM 962 CB THR A 62 -1.506 3.853 -8.924 1.00 0.00 C ATOM 963 OG1 THR A 62 -1.866 4.419 -7.658 1.00 0.00 O ATOM 964 CG2 THR A 62 -2.465 4.359 -9.989 1.00 0.00 C ATOM 0 H THR A 62 0.250 1.556 -8.059 1.00 0.00 H new ATOM 0 HA THR A 62 -2.555 2.001 -8.644 1.00 0.00 H new ATOM 0 HB THR A 62 -0.495 4.158 -9.192 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.848 5.397 -7.720 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.427 5.448 -10.025 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.178 3.954 -10.959 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.479 4.039 -9.748 1.00 0.00 H new ATOM 972 N LYS A 63 -1.907 0.976 -10.831 1.00 0.00 N ATOM 973 CA LYS A 63 -1.524 0.270 -12.049 1.00 0.00 C ATOM 974 C LYS A 63 -1.531 1.209 -13.254 1.00 0.00 C ATOM 975 O LYS A 63 -1.981 0.850 -14.343 1.00 0.00 O ATOM 976 CB LYS A 63 -2.444 -0.934 -12.282 1.00 0.00 C ATOM 977 CG LYS A 63 -2.348 -1.983 -11.181 1.00 0.00 C ATOM 978 CD LYS A 63 -3.210 -3.207 -11.461 1.00 0.00 C ATOM 979 CE LYS A 63 -2.712 -4.003 -12.662 1.00 0.00 C ATOM 980 NZ LYS A 63 -1.298 -4.452 -12.503 1.00 0.00 N ATOM 0 H LYS A 63 -2.882 0.849 -10.559 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.506 -0.098 -11.925 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.475 -0.587 -12.356 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.194 -1.395 -13.237 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.309 -2.293 -11.069 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.652 -1.538 -10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.221 -3.850 -10.581 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.238 -2.892 -11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.352 -4.873 -12.808 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.797 -3.391 -13.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.162 -5.354 -13.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.659 -3.735 -12.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.086 -4.581 -11.493 1.00 0.00 H new ATOM 994 N ASP A 64 -1.032 2.418 -13.036 1.00 0.00 N ATOM 995 CA ASP A 64 -0.858 3.403 -14.097 1.00 0.00 C ATOM 996 C ASP A 64 0.555 3.966 -14.033 1.00 0.00 C ATOM 997 O ASP A 64 0.979 4.726 -14.907 1.00 0.00 O ATOM 998 CB ASP A 64 -1.864 4.554 -13.961 1.00 0.00 C ATOM 999 CG ASP A 64 -3.307 4.106 -14.059 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -3.760 3.767 -15.172 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -4.001 4.100 -13.019 1.00 0.00 O ATOM 0 H ASP A 64 -0.735 2.745 -12.116 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.029 2.908 -15.053 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.710 5.050 -13.003 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.667 5.293 -14.738 1.00 0.00 H new ATOM 1006 N ALA A 65 1.278 3.583 -12.989 1.00 0.00 N ATOM 1007 CA ALA A 65 2.612 4.105 -12.736 1.00 0.00 C ATOM 1008 C ALA A 65 3.656 3.005 -12.879 1.00 0.00 C ATOM 1009 O ALA A 65 3.456 2.050 -13.633 1.00 0.00 O ATOM 1010 CB ALA A 65 2.667 4.717 -11.344 1.00 0.00 C ATOM 0 H ALA A 65 0.957 2.905 -12.298 1.00 0.00 H new ATOM 0 HA ALA A 65 2.835 4.877 -13.472 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.668 5.107 -11.157 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.942 5.528 -11.274 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.431 3.955 -10.602 1.00 0.00 H new ATOM 1016 N ALA A 66 4.771 3.146 -12.167 1.00 0.00 N ATOM 1017 CA ALA A 66 5.821 2.137 -12.180 1.00 0.00 C ATOM 1018 C ALA A 66 5.281 0.804 -11.672 1.00 0.00 C ATOM 1019 O ALA A 66 4.726 0.722 -10.576 1.00 0.00 O ATOM 1020 CB ALA A 66 7.002 2.595 -11.339 1.00 0.00 C ATOM 0 H ALA A 66 4.969 3.952 -11.573 1.00 0.00 H new ATOM 0 HA ALA A 66 6.163 1.999 -13.206 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.780 1.831 -11.357 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.398 3.526 -11.744 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.676 2.756 -10.311 1.00 0.00 H new ATOM 1026 N THR A 67 5.443 -0.234 -12.474 1.00 0.00 N ATOM 1027 CA THR A 67 4.843 -1.523 -12.178 1.00 0.00 C ATOM 1028 C THR A 67 5.654 -2.311 -11.155 1.00 0.00 C ATOM 1029 O THR A 67 5.092 -3.047 -10.343 1.00 0.00 O ATOM 1030 CB THR A 67 4.683 -2.358 -13.461 1.00 0.00 C ATOM 1031 OG1 THR A 67 5.913 -2.356 -14.200 1.00 0.00 O ATOM 1032 CG2 THR A 67 3.563 -1.809 -14.330 1.00 0.00 C ATOM 0 H THR A 67 5.986 -0.209 -13.337 1.00 0.00 H new ATOM 0 HA THR A 67 3.861 -1.322 -11.750 1.00 0.00 H new ATOM 0 HB THR A 67 4.430 -3.379 -13.176 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.806 -2.890 -15.015 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.470 -2.416 -15.230 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.625 -1.837 -13.775 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.790 -0.780 -14.608 1.00 0.00 H new ATOM 1040 N LYS A 68 6.974 -2.152 -11.188 1.00 0.00 N ATOM 1041 CA LYS A 68 7.843 -2.904 -10.292 1.00 0.00 C ATOM 1042 C LYS A 68 7.637 -2.490 -8.844 1.00 0.00 C ATOM 1043 O LYS A 68 7.570 -3.338 -7.963 1.00 0.00 O ATOM 1044 CB LYS A 68 9.317 -2.746 -10.673 1.00 0.00 C ATOM 1045 CG LYS A 68 10.261 -3.404 -9.678 1.00 0.00 C ATOM 1046 CD LYS A 68 11.689 -3.449 -10.189 1.00 0.00 C ATOM 1047 CE LYS A 68 12.614 -4.105 -9.176 1.00 0.00 C ATOM 1048 NZ LYS A 68 12.069 -5.398 -8.678 1.00 0.00 N ATOM 0 H LYS A 68 7.460 -1.515 -11.819 1.00 0.00 H new ATOM 0 HA LYS A 68 7.571 -3.954 -10.397 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.480 -3.178 -11.660 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.556 -1.685 -10.746 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.231 -2.858 -8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.919 -4.418 -9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.725 -4.000 -11.129 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.035 -2.437 -10.400 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.589 -4.274 -9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.769 -3.429 -8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.845 -5.981 -8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.377 -5.215 -7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.603 -5.902 -9.459 1.00 0.00 H new ATOM 1062 N ILE A 69 7.521 -1.191 -8.599 1.00 0.00 N ATOM 1063 CA ILE A 69 7.380 -0.695 -7.236 1.00 0.00 C ATOM 1064 C ILE A 69 6.067 -1.179 -6.610 1.00 0.00 C ATOM 1065 O ILE A 69 5.981 -1.375 -5.398 1.00 0.00 O ATOM 1066 CB ILE A 69 7.493 0.846 -7.168 1.00 0.00 C ATOM 1067 CG1 ILE A 69 7.486 1.319 -5.712 1.00 0.00 C ATOM 1068 CG2 ILE A 69 6.374 1.510 -7.956 1.00 0.00 C ATOM 1069 CD1 ILE A 69 7.746 2.800 -5.550 1.00 0.00 C ATOM 0 H ILE A 69 7.522 -0.468 -9.318 1.00 0.00 H new ATOM 0 HA ILE A 69 8.206 -1.104 -6.655 1.00 0.00 H new ATOM 0 HB ILE A 69 8.440 1.138 -7.621 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.521 1.078 -5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.241 0.764 -5.156 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.477 2.593 -7.892 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.431 1.201 -9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.411 1.212 -7.542 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.725 3.059 -4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.724 3.045 -5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.976 3.364 -6.077 1.00 0.00 H new ATOM 1081 N LEU A 70 5.058 -1.414 -7.447 1.00 0.00 N ATOM 1082 CA LEU A 70 3.815 -2.028 -6.992 1.00 0.00 C ATOM 1083 C LEU A 70 4.132 -3.416 -6.440 1.00 0.00 C ATOM 1084 O LEU A 70 3.708 -3.785 -5.340 1.00 0.00 O ATOM 1085 CB LEU A 70 2.815 -2.128 -8.158 1.00 0.00 C ATOM 1086 CG LEU A 70 1.330 -2.222 -7.771 1.00 0.00 C ATOM 1087 CD1 LEU A 70 0.457 -2.174 -9.012 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.037 -3.487 -6.985 1.00 0.00 C ATOM 0 H LEU A 70 5.078 -1.189 -8.442 1.00 0.00 H new ATOM 0 HA LEU A 70 3.363 -1.417 -6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.948 -1.257 -8.799 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.070 -3.004 -8.754 1.00 0.00 H new ATOM 0 HG LEU A 70 1.102 -1.367 -7.135 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.592 -2.242 -8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.628 -1.236 -9.541 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.707 -3.010 -9.665 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.022 -3.519 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.291 -4.358 -7.589 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.632 -3.494 -6.071 1.00 0.00 H new ATOM 1100 N SER A 71 4.906 -4.171 -7.207 1.00 0.00 N ATOM 1101 CA SER A 71 5.342 -5.494 -6.797 1.00 0.00 C ATOM 1102 C SER A 71 6.243 -5.402 -5.566 1.00 0.00 C ATOM 1103 O SER A 71 6.199 -6.262 -4.689 1.00 0.00 O ATOM 1104 CB SER A 71 6.079 -6.173 -7.951 1.00 0.00 C ATOM 1105 OG SER A 71 5.309 -6.115 -9.142 1.00 0.00 O ATOM 0 H SER A 71 5.246 -3.884 -8.125 1.00 0.00 H new ATOM 0 HA SER A 71 4.468 -6.091 -6.534 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.041 -5.687 -8.110 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.285 -7.212 -7.696 1.00 0.00 H new ATOM 0 HG SER A 71 5.798 -6.553 -9.869 1.00 0.00 H new ATOM 1111 N GLU A 72 7.035 -4.337 -5.494 1.00 0.00 N ATOM 1112 CA GLU A 72 7.936 -4.114 -4.368 1.00 0.00 C ATOM 1113 C GLU A 72 7.161 -3.946 -3.064 1.00 0.00 C ATOM 1114 O GLU A 72 7.714 -4.141 -1.987 1.00 0.00 O ATOM 1115 CB GLU A 72 8.815 -2.884 -4.610 1.00 0.00 C ATOM 1116 CG GLU A 72 9.757 -3.025 -5.793 1.00 0.00 C ATOM 1117 CD GLU A 72 10.706 -4.196 -5.651 1.00 0.00 C ATOM 1118 OE1 GLU A 72 11.604 -4.136 -4.783 1.00 0.00 O ATOM 1119 OE2 GLU A 72 10.571 -5.174 -6.413 1.00 0.00 O ATOM 0 H GLU A 72 7.071 -3.609 -6.208 1.00 0.00 H new ATOM 0 HA GLU A 72 8.573 -4.994 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.174 -2.017 -4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.401 -2.686 -3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.172 -3.146 -6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.334 -2.107 -5.904 1.00 0.00 H new ATOM 1126 N VAL A 73 5.900 -3.538 -3.163 1.00 0.00 N ATOM 1127 CA VAL A 73 5.025 -3.499 -1.997 1.00 0.00 C ATOM 1128 C VAL A 73 4.329 -4.850 -1.796 1.00 0.00 C ATOM 1129 O VAL A 73 4.466 -5.490 -0.751 1.00 0.00 O ATOM 1130 CB VAL A 73 3.955 -2.388 -2.122 1.00 0.00 C ATOM 1131 CG1 VAL A 73 3.069 -2.349 -0.883 1.00 0.00 C ATOM 1132 CG2 VAL A 73 4.607 -1.030 -2.351 1.00 0.00 C ATOM 0 H VAL A 73 5.463 -3.232 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 73 5.653 -3.280 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 73 3.331 -2.619 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.324 -1.561 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.566 -3.309 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.682 -2.149 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.835 -0.265 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.261 -0.794 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.192 -1.058 -3.270 1.00 0.00 H new ATOM 1142 N THR A 74 3.629 -5.299 -2.832 1.00 0.00 N ATOM 1143 CA THR A 74 2.780 -6.488 -2.748 1.00 0.00 C ATOM 1144 C THR A 74 3.552 -7.746 -2.355 1.00 0.00 C ATOM 1145 O THR A 74 3.038 -8.581 -1.613 1.00 0.00 O ATOM 1146 CB THR A 74 2.050 -6.736 -4.080 1.00 0.00 C ATOM 1147 OG1 THR A 74 2.977 -6.667 -5.171 1.00 0.00 O ATOM 1148 CG2 THR A 74 0.945 -5.716 -4.286 1.00 0.00 C ATOM 0 H THR A 74 3.632 -4.854 -3.750 1.00 0.00 H new ATOM 0 HA THR A 74 2.056 -6.284 -1.959 1.00 0.00 H new ATOM 0 HB THR A 74 1.606 -7.731 -4.045 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.490 -6.491 -6.003 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.443 -5.910 -5.234 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.225 -5.790 -3.471 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.373 -4.714 -4.301 1.00 0.00 H new ATOM 1156 N ARG A 75 4.780 -7.880 -2.842 1.00 0.00 N ATOM 1157 CA ARG A 75 5.570 -9.081 -2.579 1.00 0.00 C ATOM 1158 C ARG A 75 5.893 -9.228 -1.088 1.00 0.00 C ATOM 1159 O ARG A 75 5.590 -10.268 -0.504 1.00 0.00 O ATOM 1160 CB ARG A 75 6.842 -9.114 -3.441 1.00 0.00 C ATOM 1161 CG ARG A 75 6.635 -9.722 -4.826 1.00 0.00 C ATOM 1162 CD ARG A 75 5.470 -9.079 -5.566 1.00 0.00 C ATOM 1163 NE ARG A 75 5.330 -9.577 -6.933 1.00 0.00 N ATOM 1164 CZ ARG A 75 4.303 -9.285 -7.736 1.00 0.00 C ATOM 1165 NH1 ARG A 75 3.295 -8.538 -7.295 1.00 0.00 N ATOM 1166 NH2 ARG A 75 4.288 -9.740 -8.981 1.00 0.00 N ATOM 0 H ARG A 75 5.249 -7.180 -3.416 1.00 0.00 H new ATOM 0 HA ARG A 75 4.963 -9.941 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.219 -8.098 -3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.610 -9.683 -2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.546 -9.604 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.455 -10.793 -4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.547 -9.268 -5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.611 -7.998 -5.589 1.00 0.00 H new ATOM 0 HE ARG A 75 6.063 -10.186 -7.297 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.303 -8.184 -6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.514 -8.319 -7.913 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.060 -10.312 -9.324 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.505 -9.518 -9.596 1.00 0.00 H new ATOM 1180 N PRO A 76 6.505 -8.217 -0.430 1.00 0.00 N ATOM 1181 CA PRO A 76 6.707 -8.267 1.021 1.00 0.00 C ATOM 1182 C PRO A 76 5.378 -8.322 1.768 1.00 0.00 C ATOM 1183 O PRO A 76 5.258 -9.002 2.781 1.00 0.00 O ATOM 1184 CB PRO A 76 7.459 -6.972 1.352 1.00 0.00 C ATOM 1185 CG PRO A 76 7.291 -6.097 0.164 1.00 0.00 C ATOM 1186 CD PRO A 76 7.099 -7.006 -1.020 1.00 0.00 C ATOM 0 HA PRO A 76 7.256 -9.159 1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.052 -6.500 2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.513 -7.170 1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.433 -5.437 0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.165 -5.461 0.025 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.442 -6.560 -1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.045 -7.224 -1.517 1.00 0.00 H new ATOM 1194 N MET A 77 4.376 -7.634 1.229 1.00 0.00 N ATOM 1195 CA MET A 77 3.043 -7.584 1.829 1.00 0.00 C ATOM 1196 C MET A 77 2.390 -8.966 1.884 1.00 0.00 C ATOM 1197 O MET A 77 1.366 -9.142 2.541 1.00 0.00 O ATOM 1198 CB MET A 77 2.144 -6.620 1.053 1.00 0.00 C ATOM 1199 CG MET A 77 1.669 -5.425 1.866 1.00 0.00 C ATOM 1200 SD MET A 77 3.028 -4.397 2.460 1.00 0.00 S ATOM 1201 CE MET A 77 2.120 -3.054 3.221 1.00 0.00 C ATOM 0 H MET A 77 4.463 -7.096 0.367 1.00 0.00 H new ATOM 0 HA MET A 77 3.163 -7.227 2.852 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.685 -6.259 0.179 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.274 -7.166 0.687 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.001 -4.818 1.255 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.088 -5.779 2.718 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.729 -2.600 4.002 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.879 -2.305 2.467 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.199 -3.439 3.658 1.00 0.00 H new ATOM 1211 N SER A 78 2.961 -9.930 1.164 1.00 0.00 N ATOM 1212 CA SER A 78 2.468 -11.305 1.186 1.00 0.00 C ATOM 1213 C SER A 78 2.584 -11.892 2.592 1.00 0.00 C ATOM 1214 O SER A 78 1.824 -12.782 2.977 1.00 0.00 O ATOM 1215 CB SER A 78 3.256 -12.161 0.187 1.00 0.00 C ATOM 1216 OG SER A 78 2.733 -13.478 0.092 1.00 0.00 O ATOM 0 H SER A 78 3.767 -9.783 0.557 1.00 0.00 H new ATOM 0 HA SER A 78 1.417 -11.304 0.898 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.231 -11.689 -0.795 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.301 -12.206 0.493 1.00 0.00 H new ATOM 0 HG SER A 78 1.934 -13.473 -0.476 1.00 0.00 H new ATOM 1222 N VAL A 79 3.526 -11.371 3.358 1.00 0.00 N ATOM 1223 CA VAL A 79 3.756 -11.832 4.711 1.00 0.00 C ATOM 1224 C VAL A 79 3.643 -10.648 5.669 1.00 0.00 C ATOM 1225 O VAL A 79 3.845 -9.503 5.267 1.00 0.00 O ATOM 1226 CB VAL A 79 5.149 -12.502 4.831 1.00 0.00 C ATOM 1227 CG1 VAL A 79 6.269 -11.479 4.723 1.00 0.00 C ATOM 1228 CG2 VAL A 79 5.270 -13.306 6.115 1.00 0.00 C ATOM 0 H VAL A 79 4.149 -10.620 3.060 1.00 0.00 H new ATOM 0 HA VAL A 79 3.005 -12.578 4.970 1.00 0.00 H new ATOM 0 HB VAL A 79 5.248 -13.194 3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.232 -11.983 4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.210 -10.975 3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.169 -10.745 5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.259 -13.762 6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.129 -12.647 6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.509 -14.086 6.129 1.00 0.00 H new ATOM 1238 N HIS A 80 3.275 -10.915 6.918 1.00 0.00 N ATOM 1239 CA HIS A 80 3.202 -9.862 7.927 1.00 0.00 C ATOM 1240 C HIS A 80 4.567 -9.198 8.054 1.00 0.00 C ATOM 1241 O HIS A 80 5.557 -9.858 8.368 1.00 0.00 O ATOM 1242 CB HIS A 80 2.729 -10.432 9.267 1.00 0.00 C ATOM 1243 CG HIS A 80 1.348 -11.013 9.202 1.00 0.00 C ATOM 1244 ND1 HIS A 80 1.067 -12.334 9.479 1.00 0.00 N ATOM 1245 CD2 HIS A 80 0.166 -10.443 8.870 1.00 0.00 C ATOM 1246 CE1 HIS A 80 -0.226 -12.551 9.318 1.00 0.00 C ATOM 1247 NE2 HIS A 80 -0.794 -11.420 8.950 1.00 0.00 N ATOM 0 H HIS A 80 3.024 -11.844 7.255 1.00 0.00 H new ATOM 0 HA HIS A 80 2.474 -9.111 7.621 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.427 -11.203 9.594 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.750 -9.643 10.019 1.00 0.00 H new ATOM 0 HD1 HIS A 80 1.751 -13.035 9.764 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.008 -9.411 8.594 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.732 -13.494 9.463 1.00 0.00 H new ATOM 1256 N MET A 81 4.616 -7.898 7.800 1.00 0.00 N ATOM 1257 CA MET A 81 5.880 -7.237 7.504 1.00 0.00 C ATOM 1258 C MET A 81 6.187 -6.038 8.397 1.00 0.00 C ATOM 1259 O MET A 81 5.296 -5.349 8.896 1.00 0.00 O ATOM 1260 CB MET A 81 5.881 -6.780 6.043 1.00 0.00 C ATOM 1261 CG MET A 81 6.642 -7.702 5.105 1.00 0.00 C ATOM 1262 SD MET A 81 8.430 -7.484 5.202 1.00 0.00 S ATOM 1263 CE MET A 81 8.985 -8.669 3.982 1.00 0.00 C ATOM 0 H MET A 81 3.802 -7.283 7.793 1.00 0.00 H new ATOM 0 HA MET A 81 6.659 -7.974 7.698 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.850 -6.699 5.698 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.316 -5.782 5.986 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.394 -8.737 5.341 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.314 -7.521 4.081 1.00 0.00 H new ATOM 0 HE1 MET A 81 9.524 -9.476 4.478 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.124 -9.078 3.454 1.00 0.00 H new ATOM 0 HE3 MET A 81 9.646 -8.175 3.270 1.00 0.00 H new ATOM 1273 N PRO A 82 7.500 -5.832 8.596 1.00 0.00 N ATOM 1274 CA PRO A 82 8.144 -4.615 9.137 1.00 0.00 C ATOM 1275 C PRO A 82 7.631 -3.272 8.595 1.00 0.00 C ATOM 1276 O PRO A 82 8.206 -2.254 8.936 1.00 0.00 O ATOM 1277 CB PRO A 82 9.606 -4.793 8.743 1.00 0.00 C ATOM 1278 CG PRO A 82 9.815 -6.258 8.785 1.00 0.00 C ATOM 1279 CD PRO A 82 8.523 -6.870 8.323 1.00 0.00 C ATOM 0 HA PRO A 82 7.937 -4.544 10.205 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.803 -4.390 7.749 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.271 -4.275 9.434 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.641 -6.554 8.138 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.066 -6.588 9.793 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.560 -7.121 7.263 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.306 -7.792 8.862 1.00 0.00 H new ATOM 1287 N ALA A 83 6.616 -3.294 7.714 1.00 0.00 N ATOM 1288 CA ALA A 83 6.280 -2.213 6.752 1.00 0.00 C ATOM 1289 C ALA A 83 6.442 -0.767 7.236 1.00 0.00 C ATOM 1290 O ALA A 83 6.598 0.130 6.405 1.00 0.00 O ATOM 1291 CB ALA A 83 4.861 -2.420 6.242 1.00 0.00 C ATOM 0 H ALA A 83 5.981 -4.089 7.644 1.00 0.00 H new ATOM 0 HA ALA A 83 7.030 -2.312 5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.609 -1.629 5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.791 -3.387 5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.165 -2.392 7.081 1.00 0.00 H new ATOM 1297 N MET A 84 6.420 -0.531 8.531 1.00 0.00 N ATOM 1298 CA MET A 84 6.885 0.740 9.081 1.00 0.00 C ATOM 1299 C MET A 84 8.254 1.110 8.482 1.00 0.00 C ATOM 1300 O MET A 84 8.509 2.261 8.133 1.00 0.00 O ATOM 1301 CB MET A 84 6.936 0.618 10.614 1.00 0.00 C ATOM 1302 CG MET A 84 7.943 1.515 11.326 1.00 0.00 C ATOM 1303 SD MET A 84 9.633 0.879 11.251 1.00 0.00 S ATOM 1304 CE MET A 84 9.335 -0.883 11.414 1.00 0.00 C ATOM 0 H MET A 84 6.087 -1.197 9.228 1.00 0.00 H new ATOM 0 HA MET A 84 6.199 1.545 8.819 1.00 0.00 H new ATOM 0 HB2 MET A 84 5.944 0.836 11.009 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.160 -0.418 10.868 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.915 2.509 10.880 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.648 1.626 12.370 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.255 -1.381 11.722 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.562 -1.053 12.163 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.007 -1.287 10.456 1.00 0.00 H new ATOM 1314 N LYS A 85 9.114 0.110 8.340 1.00 0.00 N ATOM 1315 CA LYS A 85 10.448 0.295 7.788 1.00 0.00 C ATOM 1316 C LYS A 85 10.436 0.183 6.262 1.00 0.00 C ATOM 1317 O LYS A 85 11.311 0.718 5.583 1.00 0.00 O ATOM 1318 CB LYS A 85 11.404 -0.733 8.404 1.00 0.00 C ATOM 1319 CG LYS A 85 12.847 -0.597 7.951 1.00 0.00 C ATOM 1320 CD LYS A 85 13.784 -1.424 8.821 1.00 0.00 C ATOM 1321 CE LYS A 85 13.383 -2.891 8.853 1.00 0.00 C ATOM 1322 NZ LYS A 85 14.332 -3.706 9.653 1.00 0.00 N ATOM 0 H LYS A 85 8.905 -0.853 8.605 1.00 0.00 H new ATOM 0 HA LYS A 85 10.794 1.298 8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.366 -0.641 9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.051 -1.734 8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.935 -0.917 6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.144 0.451 7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.803 -1.334 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.783 -1.025 9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.381 -2.985 9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.340 -3.278 7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.024 -4.699 9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.283 -3.637 9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.354 -3.353 10.631 1.00 0.00 H new ATOM 1336 N ILE A 86 9.438 -0.503 5.717 1.00 0.00 N ATOM 1337 CA ILE A 86 9.334 -0.665 4.267 1.00 0.00 C ATOM 1338 C ILE A 86 9.110 0.688 3.596 1.00 0.00 C ATOM 1339 O ILE A 86 9.608 0.941 2.500 1.00 0.00 O ATOM 1340 CB ILE A 86 8.206 -1.649 3.870 1.00 0.00 C ATOM 1341 CG1 ILE A 86 8.553 -3.064 4.346 1.00 0.00 C ATOM 1342 CG2 ILE A 86 7.973 -1.637 2.364 1.00 0.00 C ATOM 1343 CD1 ILE A 86 7.507 -4.102 3.992 1.00 0.00 C ATOM 0 H ILE A 86 8.694 -0.953 6.250 1.00 0.00 H new ATOM 0 HA ILE A 86 10.277 -1.089 3.921 1.00 0.00 H new ATOM 0 HB ILE A 86 7.284 -1.327 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.507 -3.360 3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.687 -3.051 5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.176 -2.337 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.687 -0.634 2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.889 -1.932 1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.823 -5.078 4.362 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.556 -3.831 4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.389 -4.145 2.909 1.00 0.00 H new ATOM 1355 N CYS A 87 8.390 1.566 4.277 1.00 0.00 N ATOM 1356 CA CYS A 87 8.174 2.914 3.776 1.00 0.00 C ATOM 1357 C CYS A 87 9.488 3.675 3.710 1.00 0.00 C ATOM 1358 O CYS A 87 9.691 4.530 2.849 1.00 0.00 O ATOM 1359 CB CYS A 87 7.171 3.658 4.655 1.00 0.00 C ATOM 1360 SG CYS A 87 6.838 5.370 4.130 1.00 0.00 S ATOM 0 H CYS A 87 7.947 1.370 5.175 1.00 0.00 H new ATOM 0 HA CYS A 87 7.764 2.844 2.768 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.232 3.104 4.663 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.543 3.671 5.680 1.00 0.00 H new ATOM 1365 N GLU A 88 10.388 3.326 4.607 1.00 0.00 N ATOM 1366 CA GLU A 88 11.699 3.933 4.651 1.00 0.00 C ATOM 1367 C GLU A 88 12.547 3.423 3.491 1.00 0.00 C ATOM 1368 O GLU A 88 13.378 4.149 2.948 1.00 0.00 O ATOM 1369 CB GLU A 88 12.346 3.611 5.984 1.00 0.00 C ATOM 1370 CG GLU A 88 11.594 4.195 7.169 1.00 0.00 C ATOM 1371 CD GLU A 88 12.365 4.081 8.465 1.00 0.00 C ATOM 1372 OE1 GLU A 88 12.711 2.951 8.863 1.00 0.00 O ATOM 1373 OE2 GLU A 88 12.644 5.128 9.085 1.00 0.00 O ATOM 0 H GLU A 88 10.230 2.616 5.322 1.00 0.00 H new ATOM 0 HA GLU A 88 11.614 5.015 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.408 2.529 6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.367 3.991 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.375 5.245 6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.637 3.684 7.274 1.00 0.00 H new ATOM 1380 N LYS A 89 12.321 2.170 3.107 1.00 0.00 N ATOM 1381 CA LYS A 89 12.961 1.605 1.924 1.00 0.00 C ATOM 1382 C LYS A 89 12.559 2.405 0.691 1.00 0.00 C ATOM 1383 O LYS A 89 13.380 2.696 -0.181 1.00 0.00 O ATOM 1384 CB LYS A 89 12.558 0.142 1.727 1.00 0.00 C ATOM 1385 CG LYS A 89 12.971 -0.779 2.848 1.00 0.00 C ATOM 1386 CD LYS A 89 12.451 -2.182 2.596 1.00 0.00 C ATOM 1387 CE LYS A 89 12.254 -2.929 3.893 1.00 0.00 C ATOM 1388 NZ LYS A 89 13.543 -3.258 4.558 1.00 0.00 N ATOM 0 H LYS A 89 11.700 1.527 3.598 1.00 0.00 H new ATOM 0 HA LYS A 89 14.041 1.654 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.475 0.089 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 89 12.996 -0.220 0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.058 -0.796 2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.584 -0.405 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.506 -2.131 2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.153 -2.725 1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.644 -2.328 4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.703 -3.849 3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.356 -3.770 5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.117 -3.854 3.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.059 -2.380 4.768 1.00 0.00 H new ATOM 1402 N LEU A 90 11.286 2.777 0.649 1.00 0.00 N ATOM 1403 CA LEU A 90 10.731 3.520 -0.473 1.00 0.00 C ATOM 1404 C LEU A 90 11.285 4.941 -0.528 1.00 0.00 C ATOM 1405 O LEU A 90 11.220 5.596 -1.570 1.00 0.00 O ATOM 1406 CB LEU A 90 9.204 3.552 -0.382 1.00 0.00 C ATOM 1407 CG LEU A 90 8.526 2.180 -0.426 1.00 0.00 C ATOM 1408 CD1 LEU A 90 7.020 2.323 -0.278 1.00 0.00 C ATOM 1409 CD2 LEU A 90 8.865 1.455 -1.720 1.00 0.00 C ATOM 0 H LEU A 90 10.613 2.573 1.388 1.00 0.00 H new ATOM 0 HA LEU A 90 11.024 3.010 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.920 4.052 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.818 4.158 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 90 8.901 1.588 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.556 1.337 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.792 2.799 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.631 2.935 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.373 0.482 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.521 2.046 -2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.944 1.317 -1.788 1.00 0.00 H new ATOM 1421 N LYS A 91 11.857 5.404 0.584 1.00 0.00 N ATOM 1422 CA LYS A 91 12.447 6.741 0.645 1.00 0.00 C ATOM 1423 C LYS A 91 13.649 6.841 -0.285 1.00 0.00 C ATOM 1424 O LYS A 91 14.044 7.934 -0.695 1.00 0.00 O ATOM 1425 CB LYS A 91 12.871 7.083 2.076 1.00 0.00 C ATOM 1426 CG LYS A 91 11.710 7.223 3.046 1.00 0.00 C ATOM 1427 CD LYS A 91 10.841 8.421 2.705 1.00 0.00 C ATOM 1428 CE LYS A 91 11.587 9.736 2.884 1.00 0.00 C ATOM 1429 NZ LYS A 91 11.990 9.971 4.298 1.00 0.00 N ATOM 0 H LYS A 91 11.924 4.874 1.453 1.00 0.00 H new ATOM 0 HA LYS A 91 11.690 7.455 0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.544 6.307 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.436 8.015 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.106 6.316 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.093 7.327 4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.496 8.337 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.954 8.418 3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.474 9.736 2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.955 10.558 2.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.308 10.955 4.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.178 9.797 4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.766 9.326 4.550 1.00 0.00 H new ATOM 1443 N LYS A 92 14.226 5.691 -0.613 1.00 0.00 N ATOM 1444 CA LYS A 92 15.358 5.636 -1.522 1.00 0.00 C ATOM 1445 C LYS A 92 14.884 5.795 -2.962 1.00 0.00 C ATOM 1446 O LYS A 92 15.616 6.284 -3.822 1.00 0.00 O ATOM 1447 CB LYS A 92 16.114 4.325 -1.341 1.00 0.00 C ATOM 1448 CG LYS A 92 17.410 4.261 -2.127 1.00 0.00 C ATOM 1449 CD LYS A 92 18.367 3.268 -1.503 1.00 0.00 C ATOM 1450 CE LYS A 92 18.931 3.788 -0.188 1.00 0.00 C ATOM 1451 NZ LYS A 92 19.727 5.032 -0.377 1.00 0.00 N ATOM 0 H LYS A 92 13.925 4.783 -0.260 1.00 0.00 H new ATOM 0 HA LYS A 92 16.037 6.457 -1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.333 4.184 -0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.472 3.499 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.202 3.974 -3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.871 5.248 -2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 92 17.852 2.323 -1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 92 19.184 3.064 -2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 92 18.113 3.983 0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 92 19.559 3.021 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 20.359 5.167 0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 20.294 4.953 -1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 19.085 5.846 -0.456 1.00 0.00 H new ATOM 1465 N LEU A 93 13.644 5.397 -3.215 1.00 0.00 N ATOM 1466 CA LEU A 93 13.053 5.546 -4.537 1.00 0.00 C ATOM 1467 C LEU A 93 12.495 6.954 -4.698 1.00 0.00 C ATOM 1468 O LEU A 93 12.719 7.609 -5.715 1.00 0.00 O ATOM 1469 CB LEU A 93 11.943 4.511 -4.781 1.00 0.00 C ATOM 1470 CG LEU A 93 12.402 3.049 -4.863 1.00 0.00 C ATOM 1471 CD1 LEU A 93 12.665 2.479 -3.479 1.00 0.00 C ATOM 1472 CD2 LEU A 93 11.370 2.209 -5.596 1.00 0.00 C ATOM 0 H LEU A 93 13.029 4.969 -2.523 1.00 0.00 H new ATOM 0 HA LEU A 93 13.836 5.375 -5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.209 4.598 -3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.433 4.765 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 93 13.337 3.020 -5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.989 1.442 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.444 3.062 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.751 2.524 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.711 1.175 -5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.420 2.253 -5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.237 2.596 -6.606 1.00 0.00 H new ATOM 1484 N ASP A 94 11.778 7.415 -3.682 1.00 0.00 N ATOM 1485 CA ASP A 94 11.234 8.767 -3.675 1.00 0.00 C ATOM 1486 C ASP A 94 11.045 9.233 -2.237 1.00 0.00 C ATOM 1487 O ASP A 94 10.465 8.527 -1.416 1.00 0.00 O ATOM 1488 CB ASP A 94 9.899 8.821 -4.424 1.00 0.00 C ATOM 1489 CG ASP A 94 9.418 10.242 -4.657 1.00 0.00 C ATOM 1490 OD1 ASP A 94 9.051 10.926 -3.686 1.00 0.00 O ATOM 1491 OD2 ASP A 94 9.407 10.687 -5.823 1.00 0.00 O ATOM 0 H ASP A 94 11.559 6.870 -2.848 1.00 0.00 H new ATOM 0 HA ASP A 94 11.936 9.429 -4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.004 8.315 -5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.146 8.275 -3.856 1.00 0.00 H new ATOM 1496 N SER A 95 11.551 10.417 -1.938 1.00 0.00 N ATOM 1497 CA SER A 95 11.514 10.943 -0.582 1.00 0.00 C ATOM 1498 C SER A 95 10.161 11.589 -0.281 1.00 0.00 C ATOM 1499 O SER A 95 9.637 11.475 0.827 1.00 0.00 O ATOM 1500 CB SER A 95 12.643 11.962 -0.400 1.00 0.00 C ATOM 1501 OG SER A 95 12.819 12.311 0.963 1.00 0.00 O ATOM 0 H SER A 95 11.994 11.035 -2.618 1.00 0.00 H new ATOM 0 HA SER A 95 11.653 10.119 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.572 11.550 -0.793 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.421 12.858 -0.980 1.00 0.00 H new ATOM 0 HG SER A 95 12.133 12.959 1.226 1.00 0.00 H new ATOM 1507 N GLN A 96 9.583 12.227 -1.293 1.00 0.00 N ATOM 1508 CA GLN A 96 8.350 12.990 -1.131 1.00 0.00 C ATOM 1509 C GLN A 96 7.157 12.068 -0.877 1.00 0.00 C ATOM 1510 O GLN A 96 6.087 12.530 -0.488 1.00 0.00 O ATOM 1511 CB GLN A 96 8.101 13.866 -2.364 1.00 0.00 C ATOM 1512 CG GLN A 96 6.968 14.865 -2.191 1.00 0.00 C ATOM 1513 CD GLN A 96 6.798 15.771 -3.393 1.00 0.00 C ATOM 1514 OE1 GLN A 96 7.416 16.832 -3.473 1.00 0.00 O ATOM 1515 NE2 GLN A 96 5.953 15.369 -4.328 1.00 0.00 N ATOM 0 H GLN A 96 9.953 12.230 -2.244 1.00 0.00 H new ATOM 0 HA GLN A 96 8.464 13.635 -0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.016 14.407 -2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.879 13.223 -3.216 1.00 0.00 H new ATOM 0 HG2 GLN A 96 6.038 14.326 -2.013 1.00 0.00 H new ATOM 0 HG3 GLN A 96 7.158 15.473 -1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 96 5.460 14.482 -4.223 1.00 0.00 H new ATOM 0 HE22 GLN A 96 5.794 15.946 -5.154 1.00 0.00 H new ATOM 1524 N ILE A 97 7.355 10.770 -1.105 1.00 0.00 N ATOM 1525 CA ILE A 97 6.320 9.760 -0.869 1.00 0.00 C ATOM 1526 C ILE A 97 5.599 9.993 0.457 1.00 0.00 C ATOM 1527 O ILE A 97 4.379 10.133 0.495 1.00 0.00 O ATOM 1528 CB ILE A 97 6.928 8.335 -0.870 1.00 0.00 C ATOM 1529 CG1 ILE A 97 7.272 7.914 -2.294 1.00 0.00 C ATOM 1530 CG2 ILE A 97 5.979 7.330 -0.229 1.00 0.00 C ATOM 1531 CD1 ILE A 97 7.891 6.539 -2.403 1.00 0.00 C ATOM 0 H ILE A 97 8.233 10.389 -1.457 1.00 0.00 H new ATOM 0 HA ILE A 97 5.599 9.850 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 97 7.842 8.354 -0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.365 7.940 -2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.960 8.644 -2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 97 6.433 6.339 -0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.782 7.623 0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.042 7.308 -0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.105 6.318 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.817 6.511 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.198 5.796 -2.009 1.00 0.00 H new ATOM 1543 N CYS A 98 6.352 10.064 1.535 1.00 0.00 N ATOM 1544 CA CYS A 98 5.756 10.254 2.842 1.00 0.00 C ATOM 1545 C CYS A 98 5.676 11.735 3.186 1.00 0.00 C ATOM 1546 O CYS A 98 4.882 12.146 4.033 1.00 0.00 O ATOM 1547 CB CYS A 98 6.562 9.505 3.895 1.00 0.00 C ATOM 1548 SG CYS A 98 8.299 10.021 4.006 1.00 0.00 S ATOM 0 H CYS A 98 7.370 9.994 1.534 1.00 0.00 H new ATOM 0 HA CYS A 98 4.742 9.855 2.824 1.00 0.00 H new ATOM 0 HB2 CYS A 98 6.090 9.646 4.867 1.00 0.00 H new ATOM 0 HB3 CYS A 98 6.525 8.438 3.675 1.00 0.00 H new ATOM 1553 N GLU A 99 6.471 12.536 2.493 1.00 0.00 N ATOM 1554 CA GLU A 99 6.571 13.958 2.783 1.00 0.00 C ATOM 1555 C GLU A 99 5.530 14.759 2.005 1.00 0.00 C ATOM 1556 O GLU A 99 5.660 15.975 1.853 1.00 0.00 O ATOM 1557 CB GLU A 99 7.971 14.466 2.443 1.00 0.00 C ATOM 1558 CG GLU A 99 9.085 13.707 3.141 1.00 0.00 C ATOM 1559 CD GLU A 99 10.456 14.229 2.771 1.00 0.00 C ATOM 1560 OE1 GLU A 99 10.912 13.973 1.641 1.00 0.00 O ATOM 1561 OE2 GLU A 99 11.083 14.911 3.608 1.00 0.00 O ATOM 0 H GLU A 99 7.060 12.223 1.721 1.00 0.00 H new ATOM 0 HA GLU A 99 6.382 14.095 3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.119 14.400 1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.040 15.520 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.950 13.780 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.019 12.650 2.882 1.00 0.00 H new ATOM 1568 N LEU A 100 4.511 14.074 1.501 1.00 0.00 N ATOM 1569 CA LEU A 100 3.390 14.744 0.853 1.00 0.00 C ATOM 1570 C LEU A 100 2.676 15.646 1.848 1.00 0.00 C ATOM 1571 O LEU A 100 2.314 16.777 1.520 1.00 0.00 O ATOM 1572 CB LEU A 100 2.406 13.722 0.281 1.00 0.00 C ATOM 1573 CG LEU A 100 2.915 12.927 -0.921 1.00 0.00 C ATOM 1574 CD1 LEU A 100 1.865 11.928 -1.376 1.00 0.00 C ATOM 1575 CD2 LEU A 100 3.286 13.863 -2.062 1.00 0.00 C ATOM 0 H LEU A 100 4.437 13.057 1.528 1.00 0.00 H new ATOM 0 HA LEU A 100 3.779 15.349 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.135 13.021 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.494 14.243 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 100 3.809 12.380 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.242 11.369 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.642 11.238 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.957 12.459 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.646 13.279 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.409 14.436 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.069 14.546 -1.733 1.00 0.00 H new ATOM 1587 N LYS A 101 2.496 15.126 3.065 1.00 0.00 N ATOM 1588 CA LYS A 101 1.871 15.857 4.174 1.00 0.00 C ATOM 1589 C LYS A 101 0.381 16.093 3.924 1.00 0.00 C ATOM 1590 O LYS A 101 -0.045 16.366 2.800 1.00 0.00 O ATOM 1591 CB LYS A 101 2.582 17.194 4.414 1.00 0.00 C ATOM 1592 CG LYS A 101 4.080 17.051 4.628 1.00 0.00 C ATOM 1593 CD LYS A 101 4.400 16.298 5.907 1.00 0.00 C ATOM 1594 CE LYS A 101 5.888 16.012 6.013 1.00 0.00 C ATOM 1595 NZ LYS A 101 6.314 15.761 7.414 1.00 0.00 N ATOM 0 H LYS A 101 2.782 14.178 3.312 1.00 0.00 H new ATOM 0 HA LYS A 101 1.970 15.239 5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.405 17.849 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.143 17.679 5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.520 16.528 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.537 18.040 4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.076 16.883 6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.843 15.361 5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.134 15.145 5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.448 16.856 5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.103 15.083 7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.621 16.654 7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.516 15.369 7.954 1.00 0.00 H new ATOM 1609 N TYR A 102 -0.415 15.974 4.979 1.00 0.00 N ATOM 1610 CA TYR A 102 -1.844 16.241 4.890 1.00 0.00 C ATOM 1611 C TYR A 102 -2.091 17.742 4.860 1.00 0.00 C ATOM 1612 O TYR A 102 -2.585 18.321 5.828 1.00 0.00 O ATOM 1613 CB TYR A 102 -2.596 15.599 6.059 1.00 0.00 C ATOM 1614 CG TYR A 102 -2.672 14.091 5.977 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -3.629 13.471 5.186 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -1.790 13.287 6.692 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -3.707 12.094 5.106 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -1.862 11.910 6.616 1.00 0.00 C ATOM 1619 CZ TYR A 102 -2.822 11.320 5.823 1.00 0.00 C ATOM 1620 OH TYR A 102 -2.896 9.950 5.744 1.00 0.00 O ATOM 0 H TYR A 102 -0.095 15.694 5.906 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.220 15.801 3.967 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.107 15.879 6.992 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.607 16.004 6.095 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.325 14.075 4.623 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.038 13.747 7.316 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.457 11.627 4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.169 11.299 7.175 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.120 9.608 5.253 1.00 0.00 H new ATOM 1630 N GLU A 103 -1.723 18.353 3.736 1.00 0.00 N ATOM 1631 CA GLU A 103 -1.820 19.794 3.537 1.00 0.00 C ATOM 1632 C GLU A 103 -0.827 20.541 4.415 1.00 0.00 C ATOM 1633 O GLU A 103 -0.996 20.665 5.631 1.00 0.00 O ATOM 1634 CB GLU A 103 -3.247 20.301 3.742 1.00 0.00 C ATOM 1635 CG GLU A 103 -4.157 19.970 2.571 1.00 0.00 C ATOM 1636 CD GLU A 103 -3.633 20.538 1.266 1.00 0.00 C ATOM 1637 OE1 GLU A 103 -3.983 21.687 0.930 1.00 0.00 O ATOM 1638 OE2 GLU A 103 -2.849 19.843 0.578 1.00 0.00 O ATOM 0 H GLU A 103 -1.345 17.855 2.930 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.557 19.997 2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.657 19.863 4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.228 21.381 3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.255 18.888 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.154 20.365 2.764 1.00 0.00 H new ATOM 1645 N LYS A 104 0.222 21.024 3.774 1.00 0.00 N ATOM 1646 CA LYS A 104 1.293 21.733 4.451 1.00 0.00 C ATOM 1647 C LYS A 104 0.910 23.196 4.658 1.00 0.00 C ATOM 1648 O LYS A 104 1.356 24.081 3.926 1.00 0.00 O ATOM 1649 CB LYS A 104 2.570 21.633 3.622 1.00 0.00 C ATOM 1650 CG LYS A 104 3.806 22.186 4.312 1.00 0.00 C ATOM 1651 CD LYS A 104 5.025 22.097 3.409 1.00 0.00 C ATOM 1652 CE LYS A 104 5.358 20.656 3.058 1.00 0.00 C ATOM 1653 NZ LYS A 104 6.429 20.571 2.033 1.00 0.00 N ATOM 0 H LYS A 104 0.356 20.935 2.767 1.00 0.00 H new ATOM 0 HA LYS A 104 1.462 21.281 5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.745 20.587 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.423 22.166 2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.634 23.225 4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.991 21.632 5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.843 22.662 2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.880 22.558 3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.673 20.126 3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.462 20.155 2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.628 19.573 1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.119 21.055 1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.292 21.026 2.394 1.00 0.00 H new ATOM 1667 N THR A 105 0.063 23.431 5.642 1.00 0.00 N ATOM 1668 CA THR A 105 -0.402 24.765 5.953 1.00 0.00 C ATOM 1669 C THR A 105 -0.797 24.846 7.426 1.00 0.00 C ATOM 1670 O THR A 105 -0.076 25.522 8.193 1.00 0.00 O ATOM 1671 CB THR A 105 -1.573 25.181 5.028 1.00 0.00 C ATOM 1672 OG1 THR A 105 -2.257 26.333 5.544 1.00 0.00 O ATOM 1673 CG2 THR A 105 -2.555 24.032 4.830 1.00 0.00 C ATOM 1674 OXT THR A 105 -1.779 24.188 7.828 1.00 0.00 O ATOM 0 H THR A 105 -0.320 22.703 6.246 1.00 0.00 H new ATOM 0 HA THR A 105 0.411 25.469 5.774 1.00 0.00 H new ATOM 0 HB THR A 105 -1.145 25.439 4.059 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.990 26.575 4.941 1.00 0.00 H new ATOM 0 HG21 THR A 105 -3.365 24.355 4.176 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.038 23.186 4.377 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.964 23.733 5.795 1.00 0.00 H new TER 1682 THR A 105