USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 691 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 62 THR OG1 : rot -38:sc= 2.08 USER MOD Set 1.2: A 95 CYS SG : rot -135:sc= 0.507 USER MOD Set 2.1: A 48 ASN :FLIP amide:sc= 0 F(o=-5.3,f=-4.1) USER MOD Set 2.2: A 73 ASN :FLIP amide:sc= -4.1! C(o=-6.1!,f=-4.1!) USER MOD Set 3.1: A 32 CYS SG : rot 180:sc= 1.01 USER MOD Set 3.2: A 44 CYS SG : rot -81:sc= -5.17! USER MOD Set 3.3: A 55 ASN :FLIP amide:sc= -1.23 F(o=-6.9,f=-5.4) USER MOD Set 4.1: A 52 CYS SG : rot 111:sc= 0.764 USER MOD Set 4.2: A 56 ASN : amide:sc= -2.06 K(o=-5.5,f=-6.8) USER MOD Set 4.3: A 65 CYS SG : rot -125:sc= -4.17! USER MOD Set 5.1: A 8 CYS SG : rot -55:sc= 1.62 USER MOD Set 5.2: A 20 CYS SG : rot 21:sc= 0.177 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -125:sc= 0.56 (180deg=0) USER MOD Single : A 6 HIS : no HE2:sc= -5.81 K(o=-5.8,f=-9.1!) USER MOD Single : A 11 THR OG1 : rot 15:sc= 0.784 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.19! X(o=-1.2!,f=-1.6) USER MOD Single : A 27 THR OG1 : rot 100:sc= 1.29 USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= 1.16 (180deg=0.727) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -151:sc= -0.0911 (180deg=-0.703) USER MOD Single : A 42 ASN : amide:sc= -0.206 K(o=-0.21,f=-2!) USER MOD Single : A 43 THR OG1 : rot -140:sc= -2.74! USER MOD Single : A 47 ASN : amide:sc= -3.27! C(o=-3.3!,f=-4.8!) USER MOD Single : A 49 ASN : amide:sc= -0.0433 K(o=-0.043,f=-1.2!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -6.12! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -2.76! C(o=-2.8!,f=-2.5!) USER MOD Single : A 67 ASN : amide:sc= -1.6! C(o=-1.6!,f=-3.4!) USER MOD Single : A 70 SER OG : rot -172:sc= -1.63 USER MOD Single : A 71 THR OG1 : rot 45:sc= 1.38 USER MOD Single : A 74 SER OG : rot -27:sc= 0.0301 USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= 1.29 (180deg=1.21) USER MOD Single : A 76 LYS NZ :NH3+ -138:sc= 0.546 (180deg=-0.02) USER MOD Single : A 79 CYS SG : rot 84:sc= -2.32 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -80:sc= -1.23 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -18:sc= 0.598 USER MOD Single : A 87 ASN : amide:sc= -1.08! C(o=-1.1!,f=-9.9!) USER MOD Single : A 89 TYR OH : rot -118:sc= 0.432 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -126:sc= 1.29 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -66:sc= 0.943 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.469 -11.788 8.019 1.00 0.00 N ATOM 2 CA GLY A 1 -7.410 -12.200 6.950 1.00 0.00 C ATOM 3 C GLY A 1 -8.552 -11.219 6.785 1.00 0.00 C ATOM 4 O GLY A 1 -9.552 -11.299 7.495 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.704 -12.488 8.097 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.065 -10.858 7.787 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.977 -11.728 8.925 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.870 -12.289 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.811 -13.187 7.182 1.00 0.00 H new ATOM 10 N VAL A 2 -8.405 -10.290 5.851 1.00 0.00 N ATOM 11 CA VAL A 2 -9.421 -9.277 5.607 1.00 0.00 C ATOM 12 C VAL A 2 -10.004 -9.454 4.214 1.00 0.00 C ATOM 13 O VAL A 2 -9.439 -10.160 3.376 1.00 0.00 O ATOM 14 CB VAL A 2 -8.834 -7.848 5.738 1.00 0.00 C ATOM 15 CG1 VAL A 2 -9.916 -6.778 5.694 1.00 0.00 C ATOM 16 CG2 VAL A 2 -8.034 -7.721 7.014 1.00 0.00 C ATOM 0 H VAL A 2 -7.587 -10.217 5.247 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.203 -9.400 6.356 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.178 -7.690 4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.458 -5.793 5.789 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.450 -6.840 4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.615 -6.934 6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.629 -6.712 7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.680 -7.919 7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.215 -8.441 7.003 1.00 0.00 H new ATOM 26 N ASP A 3 -11.129 -8.811 3.988 1.00 0.00 N ATOM 27 CA ASP A 3 -11.792 -8.804 2.700 1.00 0.00 C ATOM 28 C ASP A 3 -11.645 -7.434 2.061 1.00 0.00 C ATOM 29 O ASP A 3 -12.362 -6.512 2.407 1.00 0.00 O ATOM 30 CB ASP A 3 -13.277 -9.137 2.854 1.00 0.00 C ATOM 31 CG ASP A 3 -13.559 -10.623 2.855 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.507 -11.245 3.937 1.00 0.00 O ATOM 33 OD2 ASP A 3 -13.861 -11.167 1.772 1.00 0.00 O ATOM 0 H ASP A 3 -11.616 -8.271 4.703 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.329 -9.560 2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.645 -8.704 3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.833 -8.669 2.042 1.00 0.00 H new ATOM 38 N PRO A 4 -10.668 -7.300 1.158 1.00 0.00 N ATOM 39 CA PRO A 4 -10.413 -6.114 0.321 1.00 0.00 C ATOM 40 C PRO A 4 -11.637 -5.328 -0.186 1.00 0.00 C ATOM 41 O PRO A 4 -11.466 -4.194 -0.591 1.00 0.00 O ATOM 42 CB PRO A 4 -9.723 -6.769 -0.869 1.00 0.00 C ATOM 43 CG PRO A 4 -8.933 -7.880 -0.302 1.00 0.00 C ATOM 44 CD PRO A 4 -9.596 -8.283 0.977 1.00 0.00 C ATOM 0 HA PRO A 4 -9.874 -5.356 0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.451 -7.134 -1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -9.083 -6.058 -1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.894 -8.719 -0.997 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.904 -7.568 -0.121 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.992 -9.297 0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.895 -8.264 1.811 1.00 0.00 H new ATOM 52 N LYS A 5 -12.842 -5.911 -0.148 1.00 0.00 N ATOM 53 CA LYS A 5 -14.129 -5.259 -0.559 1.00 0.00 C ATOM 54 C LYS A 5 -14.348 -3.791 -0.075 1.00 0.00 C ATOM 55 O LYS A 5 -15.427 -3.228 -0.257 1.00 0.00 O ATOM 56 CB LYS A 5 -15.277 -6.110 -0.042 1.00 0.00 C ATOM 57 CG LYS A 5 -15.135 -6.384 1.437 1.00 0.00 C ATOM 58 CD LYS A 5 -15.805 -5.324 2.298 1.00 0.00 C ATOM 59 CE LYS A 5 -17.320 -5.351 2.169 1.00 0.00 C ATOM 60 NZ LYS A 5 -17.976 -4.432 3.138 1.00 0.00 N ATOM 0 H LYS A 5 -12.971 -6.870 0.174 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.085 -5.195 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.223 -5.602 -0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.308 -7.053 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.568 -7.358 1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.077 -6.438 1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.528 -5.478 3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.435 -4.339 2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.603 -5.071 1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.680 -6.367 2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.668 -4.962 3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.257 -4.019 3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.461 -3.671 2.621 1.00 0.00 H new ATOM 74 N HIS A 6 -13.346 -3.215 0.553 1.00 0.00 N ATOM 75 CA HIS A 6 -13.356 -1.852 1.087 1.00 0.00 C ATOM 76 C HIS A 6 -13.502 -0.832 -0.031 1.00 0.00 C ATOM 77 O HIS A 6 -13.901 0.304 0.213 1.00 0.00 O ATOM 78 CB HIS A 6 -12.028 -1.592 1.806 1.00 0.00 C ATOM 79 CG HIS A 6 -11.647 -2.590 2.848 1.00 0.00 C ATOM 80 ND1 HIS A 6 -10.713 -2.349 3.832 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.031 -3.859 3.012 1.00 0.00 C ATOM 82 CE1 HIS A 6 -10.549 -3.439 4.550 1.00 0.00 C ATOM 83 NE2 HIS A 6 -11.345 -4.373 4.077 1.00 0.00 N ATOM 0 H HIS A 6 -12.461 -3.695 0.717 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.199 -1.754 1.771 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.234 -1.553 1.060 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.076 -0.608 2.273 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -10.226 -1.465 3.980 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.756 -4.386 2.409 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.875 -3.548 5.386 1.00 0.00 H new ATOM 92 N VAL A 7 -13.173 -1.281 -1.245 1.00 0.00 N ATOM 93 CA VAL A 7 -13.220 -0.470 -2.485 1.00 0.00 C ATOM 94 C VAL A 7 -12.515 0.866 -2.363 1.00 0.00 C ATOM 95 O VAL A 7 -11.811 1.130 -1.399 1.00 0.00 O ATOM 96 CB VAL A 7 -14.674 -0.231 -2.981 1.00 0.00 C ATOM 97 CG1 VAL A 7 -15.488 -1.501 -2.902 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.363 0.878 -2.208 1.00 0.00 C ATOM 0 H VAL A 7 -12.859 -2.238 -1.407 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.682 -1.069 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.606 0.081 -4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.501 -1.306 -3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.028 -2.268 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.524 -1.847 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.376 1.011 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.403 0.614 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.805 1.807 -2.329 1.00 0.00 H new ATOM 108 N CYS A 8 -12.629 1.655 -3.420 1.00 0.00 N ATOM 109 CA CYS A 8 -12.210 3.035 -3.397 1.00 0.00 C ATOM 110 C CYS A 8 -12.972 3.824 -4.455 1.00 0.00 C ATOM 111 O CYS A 8 -13.144 3.364 -5.584 1.00 0.00 O ATOM 112 CB CYS A 8 -10.704 3.120 -3.604 1.00 0.00 C ATOM 113 SG CYS A 8 -10.138 2.683 -5.265 1.00 0.00 S ATOM 0 H CYS A 8 -13.015 1.351 -4.314 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.438 3.475 -2.426 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.378 4.136 -3.380 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.215 2.463 -2.885 1.00 0.00 H new ATOM 0 HG CYS A 8 -10.564 1.493 -5.570 1.00 0.00 H new ATOM 119 N VAL A 9 -13.460 4.997 -4.082 1.00 0.00 N ATOM 120 CA VAL A 9 -14.268 5.798 -4.992 1.00 0.00 C ATOM 121 C VAL A 9 -13.651 7.174 -5.226 1.00 0.00 C ATOM 122 O VAL A 9 -13.501 7.615 -6.365 1.00 0.00 O ATOM 123 CB VAL A 9 -15.708 5.975 -4.458 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.561 6.763 -5.442 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.344 4.626 -4.163 1.00 0.00 C ATOM 0 H VAL A 9 -13.313 5.414 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.300 5.258 -5.938 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.653 6.540 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.569 6.873 -5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.122 7.749 -5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.604 6.232 -6.393 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.357 4.775 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.379 4.033 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.753 4.102 -3.412 1.00 0.00 H new ATOM 135 N ASP A 10 -13.284 7.837 -4.142 1.00 0.00 N ATOM 136 CA ASP A 10 -12.802 9.215 -4.211 1.00 0.00 C ATOM 137 C ASP A 10 -11.283 9.249 -4.197 1.00 0.00 C ATOM 138 O ASP A 10 -10.657 9.580 -5.201 1.00 0.00 O ATOM 139 CB ASP A 10 -13.370 10.015 -3.037 1.00 0.00 C ATOM 140 CG ASP A 10 -12.841 11.432 -2.954 1.00 0.00 C ATOM 141 OD1 ASP A 10 -11.703 11.622 -2.475 1.00 0.00 O ATOM 142 OD2 ASP A 10 -13.578 12.365 -3.327 1.00 0.00 O ATOM 0 H ASP A 10 -13.309 7.446 -3.200 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.140 9.665 -5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.456 10.046 -3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.138 9.495 -2.108 1.00 0.00 H new ATOM 147 N THR A 11 -10.701 8.904 -3.056 1.00 0.00 N ATOM 148 CA THR A 11 -9.251 8.793 -2.901 1.00 0.00 C ATOM 149 C THR A 11 -8.499 10.055 -3.348 1.00 0.00 C ATOM 150 O THR A 11 -7.398 9.979 -3.894 1.00 0.00 O ATOM 151 CB THR A 11 -8.709 7.540 -3.625 1.00 0.00 C ATOM 152 OG1 THR A 11 -9.045 7.557 -5.018 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.283 6.285 -2.982 1.00 0.00 C ATOM 0 H THR A 11 -11.222 8.691 -2.205 1.00 0.00 H new ATOM 0 HA THR A 11 -9.065 8.686 -1.832 1.00 0.00 H new ATOM 0 HB THR A 11 -7.623 7.542 -3.533 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.339 8.456 -5.273 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.898 5.404 -3.496 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.992 6.249 -1.932 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.370 6.302 -3.057 1.00 0.00 H new ATOM 161 N ARG A 12 -9.106 11.219 -3.127 1.00 0.00 N ATOM 162 CA ARG A 12 -8.418 12.486 -3.328 1.00 0.00 C ATOM 163 C ARG A 12 -7.677 12.894 -2.065 1.00 0.00 C ATOM 164 O ARG A 12 -6.936 13.875 -2.044 1.00 0.00 O ATOM 165 CB ARG A 12 -9.401 13.559 -3.771 1.00 0.00 C ATOM 166 CG ARG A 12 -9.899 13.309 -5.175 1.00 0.00 C ATOM 167 CD ARG A 12 -10.936 14.322 -5.603 1.00 0.00 C ATOM 168 NE ARG A 12 -12.280 13.960 -5.167 1.00 0.00 N ATOM 169 CZ ARG A 12 -13.387 14.346 -5.794 1.00 0.00 C ATOM 170 NH1 ARG A 12 -13.313 15.115 -6.873 1.00 0.00 N ATOM 171 NH2 ARG A 12 -14.566 13.954 -5.339 1.00 0.00 N ATOM 0 H ARG A 12 -10.071 11.308 -2.809 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.680 12.365 -4.121 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.246 13.585 -3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.920 14.536 -3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.058 13.338 -5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.326 12.308 -5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.676 15.299 -5.196 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.922 14.416 -6.689 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.376 13.378 -4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.403 15.413 -7.225 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.166 15.408 -7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.622 13.359 -4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.419 14.246 -5.815 1.00 0.00 H new ATOM 185 N ASP A 13 -7.901 12.125 -1.010 1.00 0.00 N ATOM 186 CA ASP A 13 -7.120 12.246 0.225 1.00 0.00 C ATOM 187 C ASP A 13 -5.750 11.611 0.027 1.00 0.00 C ATOM 188 O ASP A 13 -4.872 11.701 0.880 1.00 0.00 O ATOM 189 CB ASP A 13 -7.823 11.533 1.389 1.00 0.00 C ATOM 190 CG ASP A 13 -9.145 12.165 1.769 1.00 0.00 C ATOM 191 OD1 ASP A 13 -9.137 13.315 2.257 1.00 0.00 O ATOM 192 OD2 ASP A 13 -10.199 11.515 1.592 1.00 0.00 O ATOM 0 H ASP A 13 -8.621 11.404 -0.979 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.020 13.306 0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.991 10.491 1.119 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.165 11.535 2.258 1.00 0.00 H new ATOM 197 N ILE A 14 -5.594 10.979 -1.124 1.00 0.00 N ATOM 198 CA ILE A 14 -4.454 10.128 -1.413 1.00 0.00 C ATOM 199 C ILE A 14 -3.332 10.925 -2.101 1.00 0.00 C ATOM 200 O ILE A 14 -3.504 11.450 -3.202 1.00 0.00 O ATOM 201 CB ILE A 14 -4.919 8.927 -2.291 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.672 7.857 -1.459 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.741 8.283 -3.009 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.786 8.375 -0.564 1.00 0.00 C ATOM 0 H ILE A 14 -6.263 11.044 -1.892 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.046 9.744 -0.478 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.610 9.331 -3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.095 7.123 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.947 7.332 -0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.096 7.448 -3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.261 9.020 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.022 7.919 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.242 7.541 -0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.375 9.084 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.541 8.872 -1.173 1.00 0.00 H new ATOM 216 N PRO A 15 -2.188 11.067 -1.406 1.00 0.00 N ATOM 217 CA PRO A 15 -0.996 11.794 -1.894 1.00 0.00 C ATOM 218 C PRO A 15 -0.296 11.138 -3.083 1.00 0.00 C ATOM 219 O PRO A 15 -0.749 10.123 -3.613 1.00 0.00 O ATOM 220 CB PRO A 15 -0.050 11.786 -0.695 1.00 0.00 C ATOM 221 CG PRO A 15 -0.887 11.422 0.475 1.00 0.00 C ATOM 222 CD PRO A 15 -1.990 10.562 -0.045 1.00 0.00 C ATOM 0 HA PRO A 15 -1.286 12.782 -2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.757 11.067 -0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.414 12.763 -0.556 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.299 10.889 1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.285 12.313 0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.715 9.507 -0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.894 10.658 0.556 1.00 0.00 H new ATOM 230 N LYS A 16 0.822 11.737 -3.499 1.00 0.00 N ATOM 231 CA LYS A 16 1.644 11.174 -4.567 1.00 0.00 C ATOM 232 C LYS A 16 2.419 9.969 -4.051 1.00 0.00 C ATOM 233 O LYS A 16 2.605 9.808 -2.840 1.00 0.00 O ATOM 234 CB LYS A 16 2.639 12.195 -5.126 1.00 0.00 C ATOM 235 CG LYS A 16 3.985 12.154 -4.440 1.00 0.00 C ATOM 236 CD LYS A 16 4.995 13.072 -5.101 1.00 0.00 C ATOM 237 CE LYS A 16 5.389 12.576 -6.484 1.00 0.00 C ATOM 238 NZ LYS A 16 6.497 13.379 -7.065 1.00 0.00 N ATOM 0 H LYS A 16 1.177 12.611 -3.111 1.00 0.00 H new ATOM 0 HA LYS A 16 0.967 10.878 -5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.776 12.013 -6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.218 13.195 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.867 12.440 -3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.365 11.132 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.577 14.075 -5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.884 13.146 -4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.692 11.531 -6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.524 12.619 -7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.736 13.010 -8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.200 14.372 -7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.331 13.318 -6.447 1.00 0.00 H new ATOM 252 N ASN A 17 2.892 9.157 -4.993 1.00 0.00 N ATOM 253 CA ASN A 17 3.612 7.908 -4.704 1.00 0.00 C ATOM 254 C ASN A 17 2.824 7.008 -3.757 1.00 0.00 C ATOM 255 O ASN A 17 3.348 6.032 -3.211 1.00 0.00 O ATOM 256 CB ASN A 17 4.980 8.216 -4.109 1.00 0.00 C ATOM 257 CG ASN A 17 5.824 9.079 -5.020 1.00 0.00 C ATOM 258 OD1 ASN A 17 5.903 8.848 -6.226 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.417 10.113 -4.452 1.00 0.00 N ATOM 0 H ASN A 17 2.788 9.345 -5.990 1.00 0.00 H new ATOM 0 HA ASN A 17 3.737 7.374 -5.646 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.851 8.721 -3.151 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.505 7.282 -3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.968 10.759 -5.017 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.324 10.266 -3.448 1.00 0.00 H new ATOM 266 N ALA A 18 1.562 7.345 -3.578 1.00 0.00 N ATOM 267 CA ALA A 18 0.691 6.633 -2.680 1.00 0.00 C ATOM 268 C ALA A 18 -0.456 6.028 -3.463 1.00 0.00 C ATOM 269 O ALA A 18 -1.027 6.666 -4.348 1.00 0.00 O ATOM 270 CB ALA A 18 0.171 7.575 -1.591 1.00 0.00 C ATOM 0 H ALA A 18 1.115 8.126 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 18 1.246 5.830 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.487 7.025 -0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.012 7.979 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.383 8.393 -2.052 1.00 0.00 H new ATOM 276 N GLY A 19 -0.764 4.788 -3.156 1.00 0.00 N ATOM 277 CA GLY A 19 -1.870 4.121 -3.797 1.00 0.00 C ATOM 278 C GLY A 19 -3.183 4.531 -3.168 1.00 0.00 C ATOM 279 O GLY A 19 -3.203 5.015 -2.036 1.00 0.00 O ATOM 0 H GLY A 19 -0.265 4.224 -2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.880 4.363 -4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.745 3.041 -3.717 1.00 0.00 H new ATOM 283 N CYS A 20 -4.274 4.349 -3.881 1.00 0.00 N ATOM 284 CA CYS A 20 -5.554 4.816 -3.400 1.00 0.00 C ATOM 285 C CYS A 20 -6.400 3.665 -2.867 1.00 0.00 C ATOM 286 O CYS A 20 -6.548 2.636 -3.528 1.00 0.00 O ATOM 287 CB CYS A 20 -6.281 5.537 -4.529 1.00 0.00 C ATOM 288 SG CYS A 20 -6.657 4.492 -5.958 1.00 0.00 S ATOM 0 H CYS A 20 -4.300 3.885 -4.789 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.387 5.507 -2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.212 5.950 -4.141 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.672 6.378 -4.859 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.650 3.243 -5.596 1.00 0.00 H new ATOM 294 N PHE A 21 -6.942 3.835 -1.665 1.00 0.00 N ATOM 295 CA PHE A 21 -7.764 2.808 -1.051 1.00 0.00 C ATOM 296 C PHE A 21 -8.878 3.446 -0.223 1.00 0.00 C ATOM 297 O PHE A 21 -8.773 4.598 0.174 1.00 0.00 O ATOM 298 CB PHE A 21 -6.861 1.940 -0.172 1.00 0.00 C ATOM 299 CG PHE A 21 -7.523 0.759 0.473 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.191 -0.192 -0.284 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.450 0.589 1.845 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.775 -1.287 0.323 1.00 0.00 C ATOM 303 CE2 PHE A 21 -8.033 -0.502 2.454 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.693 -1.440 1.690 1.00 0.00 C ATOM 0 H PHE A 21 -6.824 4.676 -1.100 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.236 2.192 -1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.030 1.581 -0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.435 2.567 0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.255 -0.076 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.930 1.320 2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.295 -2.022 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.973 -0.621 3.526 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.147 -2.298 2.164 1.00 0.00 H new ATOM 314 N ARG A 22 -9.982 2.745 -0.056 1.00 0.00 N ATOM 315 CA ARG A 22 -10.942 3.070 0.979 1.00 0.00 C ATOM 316 C ARG A 22 -10.940 1.923 1.954 1.00 0.00 C ATOM 317 O ARG A 22 -10.752 0.798 1.544 1.00 0.00 O ATOM 318 CB ARG A 22 -12.350 3.251 0.414 1.00 0.00 C ATOM 319 CG ARG A 22 -13.303 3.896 1.400 1.00 0.00 C ATOM 320 CD ARG A 22 -14.230 4.886 0.720 1.00 0.00 C ATOM 321 NE ARG A 22 -15.001 5.664 1.688 1.00 0.00 N ATOM 322 CZ ARG A 22 -16.208 6.180 1.461 1.00 0.00 C ATOM 323 NH1 ARG A 22 -16.867 5.883 0.348 1.00 0.00 N ATOM 324 NH2 ARG A 22 -16.773 6.951 2.375 1.00 0.00 N ATOM 0 H ARG A 22 -10.237 1.941 -0.629 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.663 4.011 1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.299 3.862 -0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.745 2.279 0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.894 3.124 1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.733 4.406 2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.645 5.561 0.095 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.912 4.350 0.059 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.584 5.824 2.605 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.450 5.256 -0.340 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.791 6.282 0.181 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.285 7.148 3.249 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.697 7.349 2.206 1.00 0.00 H new ATOM 338 N ASP A 23 -11.098 2.187 3.230 1.00 0.00 N ATOM 339 CA ASP A 23 -11.115 1.108 4.200 1.00 0.00 C ATOM 340 C ASP A 23 -12.552 0.723 4.527 1.00 0.00 C ATOM 341 O ASP A 23 -13.487 1.461 4.219 1.00 0.00 O ATOM 342 CB ASP A 23 -10.363 1.516 5.467 1.00 0.00 C ATOM 343 CG ASP A 23 -10.262 0.382 6.462 1.00 0.00 C ATOM 344 OD1 ASP A 23 -9.959 -0.750 6.036 1.00 0.00 O ATOM 345 OD2 ASP A 23 -10.528 0.610 7.656 1.00 0.00 O ATOM 0 H ASP A 23 -11.215 3.122 3.620 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.612 0.241 3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.361 1.853 5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.870 2.361 5.932 1.00 0.00 H new ATOM 350 N ASP A 24 -12.713 -0.434 5.162 1.00 0.00 N ATOM 351 CA ASP A 24 -14.029 -0.979 5.483 1.00 0.00 C ATOM 352 C ASP A 24 -14.726 -0.089 6.510 1.00 0.00 C ATOM 353 O ASP A 24 -15.940 -0.154 6.694 1.00 0.00 O ATOM 354 CB ASP A 24 -13.879 -2.408 6.017 1.00 0.00 C ATOM 355 CG ASP A 24 -15.164 -3.212 5.964 1.00 0.00 C ATOM 356 OD1 ASP A 24 -15.756 -3.324 4.871 1.00 0.00 O ATOM 357 OD2 ASP A 24 -15.566 -3.772 7.006 1.00 0.00 O ATOM 0 H ASP A 24 -11.936 -1.020 5.468 1.00 0.00 H new ATOM 0 HA ASP A 24 -14.640 -1.006 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -13.113 -2.925 5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.528 -2.367 7.048 1.00 0.00 H new ATOM 362 N ASP A 25 -13.929 0.748 7.169 1.00 0.00 N ATOM 363 CA ASP A 25 -14.436 1.759 8.094 1.00 0.00 C ATOM 364 C ASP A 25 -15.236 2.824 7.346 1.00 0.00 C ATOM 365 O ASP A 25 -16.143 3.444 7.899 1.00 0.00 O ATOM 366 CB ASP A 25 -13.262 2.420 8.829 1.00 0.00 C ATOM 367 CG ASP A 25 -13.694 3.535 9.765 1.00 0.00 C ATOM 368 OD1 ASP A 25 -14.059 3.235 10.922 1.00 0.00 O ATOM 369 OD2 ASP A 25 -13.652 4.717 9.352 1.00 0.00 O ATOM 0 H ASP A 25 -12.913 0.745 7.077 1.00 0.00 H new ATOM 0 HA ASP A 25 -15.094 1.272 8.814 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.726 1.662 9.400 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.562 2.821 8.096 1.00 0.00 H new ATOM 374 N GLY A 26 -14.908 3.011 6.074 1.00 0.00 N ATOM 375 CA GLY A 26 -15.516 4.071 5.292 1.00 0.00 C ATOM 376 C GLY A 26 -14.548 5.211 5.082 1.00 0.00 C ATOM 377 O GLY A 26 -14.816 6.151 4.335 1.00 0.00 O ATOM 0 H GLY A 26 -14.228 2.444 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.836 3.678 4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.409 4.436 5.799 1.00 0.00 H new ATOM 381 N THR A 27 -13.416 5.116 5.749 1.00 0.00 N ATOM 382 CA THR A 27 -12.348 6.080 5.599 1.00 0.00 C ATOM 383 C THR A 27 -11.459 5.704 4.425 1.00 0.00 C ATOM 384 O THR A 27 -10.996 4.572 4.337 1.00 0.00 O ATOM 385 CB THR A 27 -11.507 6.146 6.882 1.00 0.00 C ATOM 386 OG1 THR A 27 -12.320 6.595 7.975 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.308 7.069 6.712 1.00 0.00 C ATOM 0 H THR A 27 -13.211 4.367 6.411 1.00 0.00 H new ATOM 0 HA THR A 27 -12.791 7.058 5.412 1.00 0.00 H new ATOM 0 HB THR A 27 -11.133 5.144 7.094 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.600 5.825 8.512 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.734 7.094 7.638 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.677 6.701 5.903 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.654 8.075 6.473 1.00 0.00 H new ATOM 395 N LYS A 28 -11.239 6.634 3.504 1.00 0.00 N ATOM 396 CA LYS A 28 -10.334 6.365 2.401 1.00 0.00 C ATOM 397 C LYS A 28 -8.914 6.460 2.904 1.00 0.00 C ATOM 398 O LYS A 28 -8.530 7.437 3.548 1.00 0.00 O ATOM 399 CB LYS A 28 -10.505 7.339 1.237 1.00 0.00 C ATOM 400 CG LYS A 28 -11.892 7.918 1.101 1.00 0.00 C ATOM 401 CD LYS A 28 -11.893 9.075 0.128 1.00 0.00 C ATOM 402 CE LYS A 28 -13.024 10.044 0.413 1.00 0.00 C ATOM 403 NZ LYS A 28 -12.833 10.746 1.709 1.00 0.00 N ATOM 0 H LYS A 28 -11.666 7.561 3.499 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.565 5.367 2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.794 8.157 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.247 6.826 0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.582 7.147 0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.249 8.254 2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.940 9.600 0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.986 8.695 -0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.087 10.776 -0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.971 9.504 0.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.266 11.690 1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.283 10.198 2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.816 10.842 1.905 1.00 0.00 H new ATOM 417 N GLU A 29 -8.145 5.450 2.614 1.00 0.00 N ATOM 418 CA GLU A 29 -6.788 5.389 3.061 1.00 0.00 C ATOM 419 C GLU A 29 -5.820 5.497 1.912 1.00 0.00 C ATOM 420 O GLU A 29 -6.185 5.381 0.743 1.00 0.00 O ATOM 421 CB GLU A 29 -6.525 4.092 3.786 1.00 0.00 C ATOM 422 CG GLU A 29 -7.313 3.946 5.071 1.00 0.00 C ATOM 423 CD GLU A 29 -6.948 2.698 5.850 1.00 0.00 C ATOM 424 OE1 GLU A 29 -6.801 1.623 5.233 1.00 0.00 O ATOM 425 OE2 GLU A 29 -6.815 2.792 7.089 1.00 0.00 O ATOM 0 H GLU A 29 -8.443 4.647 2.061 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.639 6.233 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.767 3.260 3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.461 4.021 4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.142 4.822 5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.377 3.924 4.838 1.00 0.00 H new ATOM 432 N TRP A 30 -4.584 5.711 2.272 1.00 0.00 N ATOM 433 CA TRP A 30 -3.503 5.736 1.332 1.00 0.00 C ATOM 434 C TRP A 30 -2.274 5.159 1.987 1.00 0.00 C ATOM 435 O TRP A 30 -2.066 5.290 3.196 1.00 0.00 O ATOM 436 CB TRP A 30 -3.229 7.151 0.858 1.00 0.00 C ATOM 437 CG TRP A 30 -3.054 8.104 1.985 1.00 0.00 C ATOM 438 CD1 TRP A 30 -4.035 8.668 2.736 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.819 8.585 2.499 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.480 9.512 3.664 1.00 0.00 N ATOM 441 CE2 TRP A 30 -2.126 9.473 3.540 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.485 8.362 2.169 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -1.150 10.138 4.257 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.489 9.024 2.885 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.145 9.904 3.920 1.00 0.00 C ATOM 0 H TRP A 30 -4.299 5.874 3.238 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.773 5.140 0.461 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.332 7.156 0.239 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.053 7.486 0.228 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.092 8.480 2.620 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.998 10.077 4.337 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.219 7.686 1.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.407 10.818 5.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.530 8.863 2.646 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.930 10.409 4.464 1.00 0.00 H new ATOM 456 N ARG A 31 -1.485 4.506 1.188 1.00 0.00 N ATOM 457 CA ARG A 31 -0.301 3.840 1.648 1.00 0.00 C ATOM 458 C ARG A 31 0.798 4.134 0.685 1.00 0.00 C ATOM 459 O ARG A 31 0.569 4.676 -0.394 1.00 0.00 O ATOM 460 CB ARG A 31 -0.512 2.330 1.791 1.00 0.00 C ATOM 461 CG ARG A 31 -1.649 1.988 2.726 1.00 0.00 C ATOM 462 CD ARG A 31 -1.939 0.500 2.766 1.00 0.00 C ATOM 463 NE ARG A 31 -3.022 0.182 3.700 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.835 -0.181 4.969 1.00 0.00 C ATOM 465 NH1 ARG A 31 -1.604 -0.315 5.450 1.00 0.00 N ATOM 466 NH2 ARG A 31 -3.882 -0.421 5.752 1.00 0.00 N ATOM 0 H ARG A 31 -1.647 4.419 0.185 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.044 4.209 2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.712 1.900 0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.406 1.872 2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.406 2.335 3.730 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.546 2.522 2.413 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.207 0.155 1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.037 -0.038 3.058 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.981 0.242 3.357 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.799 -0.140 4.848 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.463 -0.593 6.421 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.828 -0.327 5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.740 -0.699 6.723 1.00 0.00 H new ATOM 480 N CYS A 32 1.974 3.753 1.055 1.00 0.00 N ATOM 481 CA CYS A 32 3.139 4.137 0.315 1.00 0.00 C ATOM 482 C CYS A 32 3.613 2.917 -0.408 1.00 0.00 C ATOM 483 O CYS A 32 3.735 1.856 0.186 1.00 0.00 O ATOM 484 CB CYS A 32 4.215 4.640 1.271 1.00 0.00 C ATOM 485 SG CYS A 32 3.597 5.058 2.922 1.00 0.00 S ATOM 0 H CYS A 32 2.159 3.171 1.872 1.00 0.00 H new ATOM 0 HA CYS A 32 2.916 4.940 -0.388 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.988 3.877 1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.688 5.521 0.838 1.00 0.00 H new ATOM 0 HG CYS A 32 4.582 5.473 3.662 1.00 0.00 H new ATOM 491 N LEU A 33 3.783 3.092 -1.711 1.00 0.00 N ATOM 492 CA LEU A 33 4.065 2.011 -2.651 1.00 0.00 C ATOM 493 C LEU A 33 5.150 1.048 -2.180 1.00 0.00 C ATOM 494 O LEU A 33 5.796 1.257 -1.163 1.00 0.00 O ATOM 495 CB LEU A 33 4.426 2.623 -3.994 1.00 0.00 C ATOM 496 CG LEU A 33 3.307 2.578 -5.037 1.00 0.00 C ATOM 497 CD1 LEU A 33 1.938 2.747 -4.384 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.527 3.664 -6.068 1.00 0.00 C ATOM 0 H LEU A 33 3.728 4.008 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 33 3.165 1.402 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.718 3.662 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.297 2.103 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 33 3.330 1.603 -5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.163 2.711 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.776 1.944 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.896 3.707 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.729 3.629 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.525 4.637 -5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.487 3.509 -6.561 1.00 0.00 H new ATOM 510 N LEU A 34 5.353 -0.011 -2.939 1.00 0.00 N ATOM 511 CA LEU A 34 6.257 -1.070 -2.530 1.00 0.00 C ATOM 512 C LEU A 34 7.679 -0.563 -2.361 1.00 0.00 C ATOM 513 O LEU A 34 8.324 -0.143 -3.321 1.00 0.00 O ATOM 514 CB LEU A 34 6.199 -2.214 -3.527 1.00 0.00 C ATOM 515 CG LEU A 34 4.805 -2.805 -3.691 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.848 -4.031 -4.561 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.206 -3.128 -2.337 1.00 0.00 C ATOM 0 H LEU A 34 4.904 -0.162 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 34 5.933 -1.435 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.551 -1.860 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.883 -3.000 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 34 4.171 -2.065 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.842 -4.438 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.236 -3.766 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.496 -4.779 -4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.210 -3.550 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.839 -3.850 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.137 -2.217 -1.743 1.00 0.00 H new ATOM 529 N GLY A 35 8.143 -0.602 -1.120 1.00 0.00 N ATOM 530 CA GLY A 35 9.458 -0.091 -0.792 1.00 0.00 C ATOM 531 C GLY A 35 9.452 1.408 -0.563 1.00 0.00 C ATOM 532 O GLY A 35 10.494 2.056 -0.600 1.00 0.00 O ATOM 0 H GLY A 35 7.626 -0.983 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.827 -0.592 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.150 -0.330 -1.599 1.00 0.00 H new ATOM 536 N TYR A 36 8.272 1.957 -0.339 1.00 0.00 N ATOM 537 CA TYR A 36 8.100 3.380 -0.111 1.00 0.00 C ATOM 538 C TYR A 36 7.800 3.679 1.359 1.00 0.00 C ATOM 539 O TYR A 36 7.644 2.767 2.174 1.00 0.00 O ATOM 540 CB TYR A 36 6.958 3.906 -0.977 1.00 0.00 C ATOM 541 CG TYR A 36 7.283 4.024 -2.452 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.802 2.957 -3.176 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.076 5.218 -3.114 1.00 0.00 C ATOM 544 CE1 TYR A 36 8.099 3.081 -4.519 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.371 5.358 -4.450 1.00 0.00 C ATOM 546 CZ TYR A 36 7.881 4.287 -5.153 1.00 0.00 C ATOM 547 OH TYR A 36 8.179 4.421 -6.491 1.00 0.00 O ATOM 0 H TYR A 36 7.402 1.426 -0.310 1.00 0.00 H new ATOM 0 HA TYR A 36 9.032 3.877 -0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.098 3.246 -0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.660 4.886 -0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.976 2.014 -2.679 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.674 6.060 -2.571 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.498 2.241 -5.068 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.204 6.303 -4.946 1.00 0.00 H new ATOM 0 HH TYR A 36 7.966 5.332 -6.784 1.00 0.00 H new ATOM 557 N LYS A 37 7.725 4.967 1.683 1.00 0.00 N ATOM 558 CA LYS A 37 7.449 5.426 3.030 1.00 0.00 C ATOM 559 C LYS A 37 6.921 6.850 2.949 1.00 0.00 C ATOM 560 O LYS A 37 6.824 7.397 1.858 1.00 0.00 O ATOM 561 CB LYS A 37 8.738 5.413 3.837 1.00 0.00 C ATOM 562 CG LYS A 37 9.748 6.428 3.335 1.00 0.00 C ATOM 563 CD LYS A 37 10.931 6.551 4.277 1.00 0.00 C ATOM 564 CE LYS A 37 11.835 7.711 3.899 1.00 0.00 C ATOM 565 NZ LYS A 37 13.057 7.757 4.743 1.00 0.00 N ATOM 0 H LYS A 37 7.856 5.722 1.010 1.00 0.00 H new ATOM 0 HA LYS A 37 6.716 4.777 3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.510 5.619 4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.178 4.417 3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.099 6.134 2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.266 7.399 3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.571 6.688 5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.504 5.624 4.263 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.121 7.622 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.287 8.647 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.648 8.562 4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.786 7.867 5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.594 6.874 4.625 1.00 0.00 H new ATOM 579 N LYS A 38 6.587 7.453 4.077 1.00 0.00 N ATOM 580 CA LYS A 38 6.236 8.857 4.090 1.00 0.00 C ATOM 581 C LYS A 38 7.483 9.725 4.160 1.00 0.00 C ATOM 582 O LYS A 38 8.359 9.510 4.999 1.00 0.00 O ATOM 583 CB LYS A 38 5.316 9.162 5.256 1.00 0.00 C ATOM 584 CG LYS A 38 4.041 8.349 5.222 1.00 0.00 C ATOM 585 CD LYS A 38 2.894 9.162 5.740 1.00 0.00 C ATOM 586 CE LYS A 38 2.178 8.481 6.889 1.00 0.00 C ATOM 587 NZ LYS A 38 1.781 7.084 6.563 1.00 0.00 N ATOM 0 H LYS A 38 6.552 6.994 4.987 1.00 0.00 H new ATOM 0 HA LYS A 38 5.712 9.085 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.843 8.965 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.066 10.223 5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.835 8.025 4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.159 7.449 5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.260 10.135 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.186 9.344 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.826 8.476 7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.290 9.056 7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.928 6.831 7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.583 7.008 5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.554 6.436 6.815 1.00 0.00 H new ATOM 601 N GLY A 39 7.568 10.692 3.259 1.00 0.00 N ATOM 602 CA GLY A 39 8.730 11.554 3.209 1.00 0.00 C ATOM 603 C GLY A 39 8.371 13.022 3.224 1.00 0.00 C ATOM 604 O GLY A 39 8.867 13.781 4.059 1.00 0.00 O ATOM 0 H GLY A 39 6.852 10.895 2.561 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.377 11.334 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.302 11.334 2.308 1.00 0.00 H new ATOM 608 N GLU A 40 7.507 13.415 2.297 1.00 0.00 N ATOM 609 CA GLU A 40 7.125 14.812 2.136 1.00 0.00 C ATOM 610 C GLU A 40 6.416 15.331 3.392 1.00 0.00 C ATOM 611 O GLU A 40 7.013 16.001 4.236 1.00 0.00 O ATOM 612 CB GLU A 40 6.195 14.968 0.925 1.00 0.00 C ATOM 613 CG GLU A 40 6.539 14.071 -0.259 1.00 0.00 C ATOM 614 CD GLU A 40 7.797 14.508 -0.982 1.00 0.00 C ATOM 615 OE1 GLU A 40 8.905 14.149 -0.534 1.00 0.00 O ATOM 616 OE2 GLU A 40 7.682 15.221 -1.998 1.00 0.00 O ATOM 0 H GLU A 40 7.054 12.780 1.640 1.00 0.00 H new ATOM 0 HA GLU A 40 8.032 15.395 1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.173 14.757 1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.219 16.007 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.664 13.047 0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.705 14.068 -0.961 1.00 0.00 H new ATOM 623 N GLY A 41 5.139 14.994 3.497 1.00 0.00 N ATOM 624 CA GLY A 41 4.320 15.388 4.628 1.00 0.00 C ATOM 625 C GLY A 41 2.886 14.995 4.377 1.00 0.00 C ATOM 626 O GLY A 41 2.163 15.705 3.679 1.00 0.00 O ATOM 0 H GLY A 41 4.644 14.439 2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.684 14.910 5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.391 16.465 4.783 1.00 0.00 H new ATOM 630 N ASN A 42 2.480 13.860 4.940 1.00 0.00 N ATOM 631 CA ASN A 42 1.276 13.167 4.499 1.00 0.00 C ATOM 632 C ASN A 42 1.423 12.846 3.027 1.00 0.00 C ATOM 633 O ASN A 42 0.689 13.355 2.184 1.00 0.00 O ATOM 634 CB ASN A 42 0.006 13.987 4.733 1.00 0.00 C ATOM 635 CG ASN A 42 -0.552 13.811 6.130 1.00 0.00 C ATOM 636 OD1 ASN A 42 -0.352 12.771 6.765 1.00 0.00 O ATOM 637 ND2 ASN A 42 -1.270 14.813 6.614 1.00 0.00 N ATOM 0 H ASN A 42 2.971 13.400 5.706 1.00 0.00 H new ATOM 0 HA ASN A 42 1.170 12.256 5.088 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.222 15.042 4.562 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.750 13.695 4.004 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.682 14.742 7.544 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.411 15.655 6.056 1.00 0.00 H new ATOM 644 N THR A 43 2.412 12.016 2.726 1.00 0.00 N ATOM 645 CA THR A 43 2.788 11.723 1.349 1.00 0.00 C ATOM 646 C THR A 43 3.689 10.503 1.333 1.00 0.00 C ATOM 647 O THR A 43 4.078 10.011 2.390 1.00 0.00 O ATOM 648 CB THR A 43 3.553 12.889 0.703 1.00 0.00 C ATOM 649 OG1 THR A 43 3.353 14.102 1.436 1.00 0.00 O ATOM 650 CG2 THR A 43 3.109 13.096 -0.732 1.00 0.00 C ATOM 0 H THR A 43 2.974 11.529 3.424 1.00 0.00 H new ATOM 0 HA THR A 43 1.872 11.552 0.784 1.00 0.00 H new ATOM 0 HB THR A 43 4.612 12.632 0.719 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.250 14.849 0.810 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.664 13.926 -1.168 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.301 12.190 -1.306 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.043 13.321 -0.754 1.00 0.00 H new ATOM 658 N CYS A 44 4.048 10.033 0.149 1.00 0.00 N ATOM 659 CA CYS A 44 4.888 8.859 0.030 1.00 0.00 C ATOM 660 C CYS A 44 6.072 9.129 -0.888 1.00 0.00 C ATOM 661 O CYS A 44 5.994 9.957 -1.792 1.00 0.00 O ATOM 662 CB CYS A 44 4.054 7.689 -0.478 1.00 0.00 C ATOM 663 SG CYS A 44 2.589 7.372 0.531 1.00 0.00 S ATOM 0 H CYS A 44 3.770 10.448 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 44 5.289 8.606 1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.745 7.889 -1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.673 6.792 -0.501 1.00 0.00 H new ATOM 0 HG CYS A 44 2.925 6.678 1.578 1.00 0.00 H new ATOM 669 N VAL A 45 7.166 8.440 -0.608 1.00 0.00 N ATOM 670 CA VAL A 45 8.411 8.549 -1.347 1.00 0.00 C ATOM 671 C VAL A 45 9.113 7.207 -1.299 1.00 0.00 C ATOM 672 O VAL A 45 8.798 6.378 -0.445 1.00 0.00 O ATOM 673 CB VAL A 45 9.359 9.604 -0.737 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.811 11.008 -0.924 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.610 9.314 0.739 1.00 0.00 C ATOM 0 H VAL A 45 7.213 7.771 0.161 1.00 0.00 H new ATOM 0 HA VAL A 45 8.172 8.851 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 45 10.311 9.544 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.500 11.729 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.698 11.216 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.841 11.088 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.280 10.069 1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.664 9.336 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.065 8.329 0.844 1.00 0.00 H new ATOM 685 N GLU A 46 10.052 6.994 -2.199 1.00 0.00 N ATOM 686 CA GLU A 46 10.807 5.754 -2.228 1.00 0.00 C ATOM 687 C GLU A 46 11.674 5.630 -0.982 1.00 0.00 C ATOM 688 O GLU A 46 12.596 6.418 -0.768 1.00 0.00 O ATOM 689 CB GLU A 46 11.657 5.693 -3.492 1.00 0.00 C ATOM 690 CG GLU A 46 11.350 4.488 -4.356 1.00 0.00 C ATOM 691 CD GLU A 46 11.908 4.605 -5.756 1.00 0.00 C ATOM 692 OE1 GLU A 46 11.624 5.618 -6.424 1.00 0.00 O ATOM 693 OE2 GLU A 46 12.606 3.675 -6.211 1.00 0.00 O ATOM 0 H GLU A 46 10.312 7.664 -2.922 1.00 0.00 H new ATOM 0 HA GLU A 46 10.112 4.915 -2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.497 6.600 -4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.711 5.674 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.758 3.595 -3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.270 4.354 -4.412 1.00 0.00 H new ATOM 700 N ASN A 47 11.363 4.643 -0.155 1.00 0.00 N ATOM 701 CA ASN A 47 12.079 4.437 1.092 1.00 0.00 C ATOM 702 C ASN A 47 13.343 3.648 0.833 1.00 0.00 C ATOM 703 O ASN A 47 13.302 2.492 0.423 1.00 0.00 O ATOM 704 CB ASN A 47 11.191 3.733 2.128 1.00 0.00 C ATOM 705 CG ASN A 47 11.908 3.456 3.437 1.00 0.00 C ATOM 706 OD1 ASN A 47 12.946 4.041 3.731 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.324 2.599 4.256 1.00 0.00 N ATOM 0 H ASN A 47 10.616 3.970 -0.327 1.00 0.00 H new ATOM 0 HA ASN A 47 12.352 5.409 1.503 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.314 4.349 2.325 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.832 2.792 1.711 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.736 2.404 5.169 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.461 2.132 3.976 1.00 0.00 H new ATOM 714 N ASN A 48 14.468 4.282 1.096 1.00 0.00 N ATOM 715 CA ASN A 48 15.757 3.749 0.745 1.00 0.00 C ATOM 716 C ASN A 48 16.214 2.688 1.735 1.00 0.00 C ATOM 717 O ASN A 48 17.399 2.368 1.813 1.00 0.00 O ATOM 718 CB ASN A 48 16.752 4.897 0.684 1.00 0.00 C ATOM 719 CG ASN A 48 16.341 5.979 -0.303 1.00 0.00 C ATOM 720 OD1 ASN A 48 15.639 5.591 -1.363 1.00 0.00 O flip ATOM 721 ND2 ASN A 48 16.646 7.155 -0.108 1.00 0.00 N flip ATOM 0 H ASN A 48 14.507 5.188 1.563 1.00 0.00 H new ATOM 0 HA ASN A 48 15.690 3.262 -0.228 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.855 5.336 1.676 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.731 4.509 0.404 1.00 0.00 H new ATOM 0 HD21 ASN A 48 17.186 7.412 0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.359 7.873 -0.773 1.00 0.00 H new ATOM 728 N ASN A 49 15.262 2.140 2.471 1.00 0.00 N ATOM 729 CA ASN A 49 15.521 1.092 3.438 1.00 0.00 C ATOM 730 C ASN A 49 14.188 0.518 3.917 1.00 0.00 C ATOM 731 O ASN A 49 13.820 0.675 5.082 1.00 0.00 O ATOM 732 CB ASN A 49 16.302 1.662 4.623 1.00 0.00 C ATOM 733 CG ASN A 49 16.997 0.602 5.443 1.00 0.00 C ATOM 734 OD1 ASN A 49 17.401 -0.439 4.929 1.00 0.00 O ATOM 735 ND2 ASN A 49 17.154 0.870 6.724 1.00 0.00 N ATOM 0 H ASN A 49 14.281 2.413 2.412 1.00 0.00 H new ATOM 0 HA ASN A 49 16.113 0.302 2.976 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.043 2.371 4.254 1.00 0.00 H new ATOM 0 HB3 ASN A 49 15.620 2.220 5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.627 0.200 7.331 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.803 1.747 7.108 1.00 0.00 H new ATOM 742 N PRO A 50 13.430 -0.151 3.024 1.00 0.00 N ATOM 743 CA PRO A 50 12.090 -0.602 3.336 1.00 0.00 C ATOM 744 C PRO A 50 12.096 -1.869 4.173 1.00 0.00 C ATOM 745 O PRO A 50 12.724 -2.865 3.818 1.00 0.00 O ATOM 746 CB PRO A 50 11.447 -0.852 1.972 1.00 0.00 C ATOM 747 CG PRO A 50 12.537 -0.786 0.954 1.00 0.00 C ATOM 748 CD PRO A 50 13.830 -0.568 1.677 1.00 0.00 C ATOM 0 HA PRO A 50 11.546 0.132 3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.958 -1.826 1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.681 -0.105 1.765 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.575 -1.709 0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.352 0.025 0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.428 -1.479 1.704 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.435 0.196 1.188 1.00 0.00 H new ATOM 756 N THR A 51 11.411 -1.801 5.292 1.00 0.00 N ATOM 757 CA THR A 51 11.326 -2.907 6.217 1.00 0.00 C ATOM 758 C THR A 51 9.868 -3.300 6.395 1.00 0.00 C ATOM 759 O THR A 51 8.971 -2.470 6.241 1.00 0.00 O ATOM 760 CB THR A 51 11.952 -2.551 7.585 1.00 0.00 C ATOM 761 OG1 THR A 51 12.014 -3.713 8.421 1.00 0.00 O ATOM 762 CG2 THR A 51 11.150 -1.471 8.288 1.00 0.00 C ATOM 0 H THR A 51 10.895 -0.972 5.587 1.00 0.00 H new ATOM 0 HA THR A 51 11.889 -3.745 5.806 1.00 0.00 H new ATOM 0 HB THR A 51 12.960 -2.178 7.402 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.414 -3.475 9.283 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.613 -1.240 9.247 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.129 -0.573 7.670 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.131 -1.823 8.452 1.00 0.00 H new ATOM 770 N CYS A 52 9.630 -4.557 6.710 1.00 0.00 N ATOM 771 CA CYS A 52 8.278 -5.030 6.949 1.00 0.00 C ATOM 772 C CYS A 52 7.853 -4.628 8.362 1.00 0.00 C ATOM 773 O CYS A 52 8.678 -4.127 9.125 1.00 0.00 O ATOM 774 CB CYS A 52 8.231 -6.551 6.769 1.00 0.00 C ATOM 775 SG CYS A 52 6.607 -7.305 7.037 1.00 0.00 S ATOM 0 H CYS A 52 10.353 -5.270 6.807 1.00 0.00 H new ATOM 0 HA CYS A 52 7.587 -4.581 6.236 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.565 -6.793 5.760 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.944 -7.005 7.458 1.00 0.00 H new ATOM 0 HG CYS A 52 6.141 -7.746 5.906 1.00 0.00 H new ATOM 781 N ASP A 53 6.563 -4.809 8.675 1.00 0.00 N ATOM 782 CA ASP A 53 5.947 -4.326 9.924 1.00 0.00 C ATOM 783 C ASP A 53 5.632 -2.844 9.823 1.00 0.00 C ATOM 784 O ASP A 53 4.532 -2.400 10.150 1.00 0.00 O ATOM 785 CB ASP A 53 6.825 -4.583 11.159 1.00 0.00 C ATOM 786 CG ASP A 53 6.698 -5.997 11.682 1.00 0.00 C ATOM 787 OD1 ASP A 53 5.623 -6.349 12.209 1.00 0.00 O ATOM 788 OD2 ASP A 53 7.679 -6.763 11.581 1.00 0.00 O ATOM 0 H ASP A 53 5.909 -5.299 8.064 1.00 0.00 H new ATOM 0 HA ASP A 53 5.025 -4.893 10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.867 -4.386 10.906 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.550 -3.882 11.947 1.00 0.00 H new ATOM 793 N ILE A 54 6.595 -2.092 9.334 1.00 0.00 N ATOM 794 CA ILE A 54 6.462 -0.651 9.198 1.00 0.00 C ATOM 795 C ILE A 54 5.998 -0.323 7.804 1.00 0.00 C ATOM 796 O ILE A 54 6.760 -0.451 6.841 1.00 0.00 O ATOM 797 CB ILE A 54 7.794 0.061 9.494 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.258 -0.305 10.907 1.00 0.00 C ATOM 799 CG2 ILE A 54 7.640 1.570 9.339 1.00 0.00 C ATOM 800 CD1 ILE A 54 9.647 0.181 11.248 1.00 0.00 C ATOM 0 H ILE A 54 7.493 -2.459 9.019 1.00 0.00 H new ATOM 0 HA ILE A 54 5.728 -0.299 9.923 1.00 0.00 H new ATOM 0 HB ILE A 54 8.549 -0.267 8.779 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.553 0.110 11.628 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.227 -1.389 11.018 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.592 2.057 9.552 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.335 1.802 8.319 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.883 1.932 10.035 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.898 -0.120 12.265 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.365 -0.254 10.553 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.681 1.268 11.172 1.00 0.00 H new ATOM 812 N ASN A 55 4.719 0.040 7.701 1.00 0.00 N ATOM 813 CA ASN A 55 4.091 0.294 6.411 1.00 0.00 C ATOM 814 C ASN A 55 4.001 -1.015 5.635 1.00 0.00 C ATOM 815 O ASN A 55 3.659 -1.039 4.458 1.00 0.00 O ATOM 816 CB ASN A 55 4.910 1.330 5.636 1.00 0.00 C ATOM 817 CG ASN A 55 4.210 1.865 4.399 1.00 0.00 C ATOM 818 OD1 ASN A 55 4.988 2.157 3.371 1.00 0.00 O flip ATOM 819 ND2 ASN A 55 2.989 2.015 4.364 1.00 0.00 N flip ATOM 0 H ASN A 55 4.098 0.164 8.501 1.00 0.00 H new ATOM 0 HA ASN A 55 3.085 0.689 6.555 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.144 2.163 6.298 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.858 0.882 5.340 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.423 1.778 5.178 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.544 2.376 3.521 1.00 0.00 H new ATOM 826 N ASN A 56 4.319 -2.106 6.337 1.00 0.00 N ATOM 827 CA ASN A 56 4.426 -3.434 5.741 1.00 0.00 C ATOM 828 C ASN A 56 5.416 -3.393 4.573 1.00 0.00 C ATOM 829 O ASN A 56 5.275 -4.117 3.595 1.00 0.00 O ATOM 830 CB ASN A 56 3.050 -3.928 5.271 1.00 0.00 C ATOM 831 CG ASN A 56 2.945 -5.441 5.185 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.567 -6.170 5.958 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.157 -5.919 4.233 1.00 0.00 N ATOM 0 H ASN A 56 4.510 -2.089 7.339 1.00 0.00 H new ATOM 0 HA ASN A 56 4.793 -4.133 6.492 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.287 -3.557 5.955 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.835 -3.501 4.292 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.048 -6.927 4.120 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.660 -5.279 3.614 1.00 0.00 H new ATOM 840 N GLY A 57 6.412 -2.510 4.685 1.00 0.00 N ATOM 841 CA GLY A 57 7.391 -2.321 3.626 1.00 0.00 C ATOM 842 C GLY A 57 6.791 -1.677 2.392 1.00 0.00 C ATOM 843 O GLY A 57 7.371 -1.721 1.310 1.00 0.00 O ATOM 0 H GLY A 57 6.557 -1.917 5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.207 -1.700 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.821 -3.286 3.356 1.00 0.00 H new ATOM 847 N GLY A 58 5.630 -1.069 2.559 1.00 0.00 N ATOM 848 CA GLY A 58 4.940 -0.458 1.447 1.00 0.00 C ATOM 849 C GLY A 58 3.840 -1.355 0.927 1.00 0.00 C ATOM 850 O GLY A 58 3.337 -1.171 -0.174 1.00 0.00 O ATOM 0 H GLY A 58 5.149 -0.987 3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.517 0.497 1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.650 -0.247 0.647 1.00 0.00 H new ATOM 854 N CYS A 59 3.473 -2.323 1.744 1.00 0.00 N ATOM 855 CA CYS A 59 2.495 -3.332 1.377 1.00 0.00 C ATOM 856 C CYS A 59 1.239 -3.206 2.235 1.00 0.00 C ATOM 857 O CYS A 59 1.162 -2.364 3.131 1.00 0.00 O ATOM 858 CB CYS A 59 3.103 -4.724 1.535 1.00 0.00 C ATOM 859 SG CYS A 59 4.488 -5.059 0.429 1.00 0.00 S ATOM 0 H CYS A 59 3.846 -2.433 2.687 1.00 0.00 H new ATOM 0 HA CYS A 59 2.213 -3.180 0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.438 -4.847 2.565 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.326 -5.469 1.362 1.00 0.00 H new ATOM 0 HG CYS A 59 4.933 -6.262 0.643 1.00 0.00 H new ATOM 865 N ASP A 60 0.264 -4.055 1.956 1.00 0.00 N ATOM 866 CA ASP A 60 -1.001 -4.049 2.687 1.00 0.00 C ATOM 867 C ASP A 60 -0.993 -5.143 3.740 1.00 0.00 C ATOM 868 O ASP A 60 -0.412 -6.187 3.500 1.00 0.00 O ATOM 869 CB ASP A 60 -2.156 -4.315 1.721 1.00 0.00 C ATOM 870 CG ASP A 60 -3.510 -4.336 2.402 1.00 0.00 C ATOM 871 OD1 ASP A 60 -4.139 -3.266 2.524 1.00 0.00 O ATOM 872 OD2 ASP A 60 -3.952 -5.428 2.819 1.00 0.00 O ATOM 0 H ASP A 60 0.321 -4.763 1.224 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.126 -3.076 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.158 -3.548 0.947 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.992 -5.271 1.223 1.00 0.00 H new ATOM 877 N PRO A 61 -1.595 -4.925 4.923 1.00 0.00 N ATOM 878 CA PRO A 61 -1.584 -5.912 6.001 1.00 0.00 C ATOM 879 C PRO A 61 -1.935 -7.330 5.533 1.00 0.00 C ATOM 880 O PRO A 61 -1.345 -8.311 6.003 1.00 0.00 O ATOM 881 CB PRO A 61 -2.650 -5.387 6.956 1.00 0.00 C ATOM 882 CG PRO A 61 -2.663 -3.924 6.754 1.00 0.00 C ATOM 883 CD PRO A 61 -2.301 -3.695 5.320 1.00 0.00 C ATOM 0 HA PRO A 61 -0.592 -6.013 6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.624 -5.824 6.737 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.412 -5.640 7.989 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.646 -3.509 6.978 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.951 -3.433 7.418 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.187 -3.529 4.707 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.666 -2.817 5.205 1.00 0.00 H new ATOM 891 N THR A 62 -2.877 -7.439 4.599 1.00 0.00 N ATOM 892 CA THR A 62 -3.258 -8.739 4.065 1.00 0.00 C ATOM 893 C THR A 62 -2.168 -9.262 3.139 1.00 0.00 C ATOM 894 O THR A 62 -1.903 -10.466 3.090 1.00 0.00 O ATOM 895 CB THR A 62 -4.593 -8.684 3.296 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.469 -7.849 2.142 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.711 -8.163 4.183 1.00 0.00 C ATOM 0 H THR A 62 -3.385 -6.649 4.201 1.00 0.00 H new ATOM 0 HA THR A 62 -3.386 -9.410 4.914 1.00 0.00 H new ATOM 0 HB THR A 62 -4.840 -9.698 2.982 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.906 -7.076 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.642 -8.134 3.616 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.830 -8.822 5.043 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.464 -7.159 4.527 1.00 0.00 H new ATOM 905 N ALA A 63 -1.531 -8.341 2.421 1.00 0.00 N ATOM 906 CA ALA A 63 -0.445 -8.673 1.531 1.00 0.00 C ATOM 907 C ALA A 63 0.765 -9.156 2.317 1.00 0.00 C ATOM 908 O ALA A 63 1.431 -8.375 2.995 1.00 0.00 O ATOM 909 CB ALA A 63 -0.089 -7.469 0.674 1.00 0.00 C ATOM 0 H ALA A 63 -1.760 -7.347 2.446 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.763 -9.484 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.732 -7.728 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.957 -7.172 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.214 -6.642 1.316 1.00 0.00 H new ATOM 915 N SER A 64 1.026 -10.454 2.238 1.00 0.00 N ATOM 916 CA SER A 64 2.171 -11.050 2.900 1.00 0.00 C ATOM 917 C SER A 64 3.457 -10.437 2.349 1.00 0.00 C ATOM 918 O SER A 64 3.926 -10.797 1.266 1.00 0.00 O ATOM 919 CB SER A 64 2.159 -12.568 2.697 1.00 0.00 C ATOM 920 OG SER A 64 3.110 -13.211 3.532 1.00 0.00 O ATOM 0 H SER A 64 0.452 -11.117 1.716 1.00 0.00 H new ATOM 0 HA SER A 64 2.121 -10.848 3.970 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.163 -12.957 2.911 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.374 -12.799 1.654 1.00 0.00 H new ATOM 0 HG SER A 64 3.077 -14.179 3.381 1.00 0.00 H new ATOM 926 N CYS A 65 3.993 -9.492 3.099 1.00 0.00 N ATOM 927 CA CYS A 65 5.167 -8.746 2.699 1.00 0.00 C ATOM 928 C CYS A 65 6.459 -9.515 2.942 1.00 0.00 C ATOM 929 O CYS A 65 6.554 -10.359 3.839 1.00 0.00 O ATOM 930 CB CYS A 65 5.196 -7.412 3.443 1.00 0.00 C ATOM 931 SG CYS A 65 6.847 -6.742 3.743 1.00 0.00 S ATOM 0 H CYS A 65 3.622 -9.220 4.009 1.00 0.00 H new ATOM 0 HA CYS A 65 5.102 -8.575 1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.622 -6.682 2.872 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.691 -7.536 4.401 1.00 0.00 H new ATOM 0 HG CYS A 65 6.995 -6.505 5.013 1.00 0.00 H new ATOM 937 N GLN A 66 7.441 -9.207 2.116 1.00 0.00 N ATOM 938 CA GLN A 66 8.782 -9.716 2.265 1.00 0.00 C ATOM 939 C GLN A 66 9.723 -8.559 2.549 1.00 0.00 C ATOM 940 O GLN A 66 9.723 -7.557 1.833 1.00 0.00 O ATOM 941 CB GLN A 66 9.216 -10.472 1.005 1.00 0.00 C ATOM 942 CG GLN A 66 10.610 -10.113 0.512 1.00 0.00 C ATOM 943 CD GLN A 66 11.250 -11.182 -0.358 1.00 0.00 C ATOM 944 OE1 GLN A 66 12.013 -10.871 -1.272 1.00 0.00 O ATOM 945 NE2 GLN A 66 10.996 -12.447 -0.058 1.00 0.00 N ATOM 0 H GLN A 66 7.323 -8.588 1.314 1.00 0.00 H new ATOM 0 HA GLN A 66 8.812 -10.418 3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.178 -11.543 1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.498 -10.272 0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.556 -9.183 -0.053 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.252 -9.926 1.373 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.359 -12.672 0.706 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.438 -13.196 -0.591 1.00 0.00 H new ATOM 954 N ASN A 67 10.503 -8.703 3.600 1.00 0.00 N ATOM 955 CA ASN A 67 11.476 -7.694 3.989 1.00 0.00 C ATOM 956 C ASN A 67 12.823 -8.036 3.374 1.00 0.00 C ATOM 957 O ASN A 67 13.399 -9.084 3.670 1.00 0.00 O ATOM 958 CB ASN A 67 11.579 -7.624 5.515 1.00 0.00 C ATOM 959 CG ASN A 67 12.580 -6.595 5.998 1.00 0.00 C ATOM 960 OD1 ASN A 67 12.841 -5.599 5.328 1.00 0.00 O ATOM 961 ND2 ASN A 67 13.136 -6.822 7.177 1.00 0.00 N ATOM 0 H ASN A 67 10.483 -9.520 4.210 1.00 0.00 H new ATOM 0 HA ASN A 67 11.157 -6.717 3.626 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.598 -7.390 5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.861 -8.604 5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.808 -6.157 7.560 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.892 -7.662 7.703 1.00 0.00 H new ATOM 968 N ALA A 68 13.318 -7.165 2.512 1.00 0.00 N ATOM 969 CA ALA A 68 14.514 -7.463 1.749 1.00 0.00 C ATOM 970 C ALA A 68 15.305 -6.203 1.435 1.00 0.00 C ATOM 971 O ALA A 68 14.782 -5.091 1.519 1.00 0.00 O ATOM 972 CB ALA A 68 14.127 -8.179 0.465 1.00 0.00 C ATOM 0 H ALA A 68 12.911 -6.249 2.324 1.00 0.00 H new ATOM 0 HA ALA A 68 15.155 -8.108 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.025 -8.404 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.609 -9.107 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.469 -7.540 -0.124 1.00 0.00 H new ATOM 978 N GLU A 69 16.569 -6.388 1.078 1.00 0.00 N ATOM 979 CA GLU A 69 17.441 -5.286 0.718 1.00 0.00 C ATOM 980 C GLU A 69 17.839 -5.363 -0.755 1.00 0.00 C ATOM 981 O GLU A 69 18.014 -6.448 -1.314 1.00 0.00 O ATOM 982 CB GLU A 69 18.704 -5.293 1.578 1.00 0.00 C ATOM 983 CG GLU A 69 19.698 -4.206 1.197 1.00 0.00 C ATOM 984 CD GLU A 69 21.060 -4.408 1.824 1.00 0.00 C ATOM 985 OE1 GLU A 69 21.909 -5.087 1.206 1.00 0.00 O ATOM 986 OE2 GLU A 69 21.288 -3.888 2.934 1.00 0.00 O ATOM 0 H GLU A 69 17.014 -7.304 1.031 1.00 0.00 H new ATOM 0 HA GLU A 69 16.890 -4.362 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.424 -5.169 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 69 19.189 -6.265 1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.803 -4.181 0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 69 19.303 -3.237 1.502 1.00 0.00 H new ATOM 993 N SER A 70 17.959 -4.198 -1.364 1.00 0.00 N ATOM 994 CA SER A 70 18.438 -4.051 -2.719 1.00 0.00 C ATOM 995 C SER A 70 18.912 -2.616 -2.888 1.00 0.00 C ATOM 996 O SER A 70 18.950 -1.863 -1.911 1.00 0.00 O ATOM 997 CB SER A 70 17.303 -4.334 -3.696 1.00 0.00 C ATOM 998 OG SER A 70 16.484 -3.206 -3.839 1.00 0.00 O ATOM 0 H SER A 70 17.721 -3.312 -0.919 1.00 0.00 H new ATOM 0 HA SER A 70 19.251 -4.749 -2.917 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.712 -4.618 -4.665 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.711 -5.177 -3.340 1.00 0.00 H new ATOM 0 HG SER A 70 15.692 -3.442 -4.365 1.00 0.00 H new ATOM 1004 N THR A 71 19.263 -2.232 -4.098 1.00 0.00 N ATOM 1005 CA THR A 71 19.464 -0.828 -4.399 1.00 0.00 C ATOM 1006 C THR A 71 18.140 -0.196 -4.821 1.00 0.00 C ATOM 1007 O THR A 71 17.837 0.946 -4.474 1.00 0.00 O ATOM 1008 CB THR A 71 20.536 -0.627 -5.482 1.00 0.00 C ATOM 1009 OG1 THR A 71 20.497 -1.712 -6.422 1.00 0.00 O ATOM 1010 CG2 THR A 71 21.916 -0.545 -4.852 1.00 0.00 C ATOM 0 H THR A 71 19.414 -2.865 -4.883 1.00 0.00 H new ATOM 0 HA THR A 71 19.824 -0.334 -3.497 1.00 0.00 H new ATOM 0 HB THR A 71 20.330 0.307 -6.004 1.00 0.00 H new ATOM 0 HG1 THR A 71 19.567 -1.902 -6.664 1.00 0.00 H new ATOM 0 HG21 THR A 71 22.664 -0.403 -5.632 1.00 0.00 H new ATOM 0 HG22 THR A 71 21.950 0.295 -4.159 1.00 0.00 H new ATOM 0 HG23 THR A 71 22.125 -1.469 -4.313 1.00 0.00 H new ATOM 1018 N GLU A 72 17.347 -0.968 -5.550 1.00 0.00 N ATOM 1019 CA GLU A 72 16.015 -0.557 -5.945 1.00 0.00 C ATOM 1020 C GLU A 72 15.031 -0.717 -4.802 1.00 0.00 C ATOM 1021 O GLU A 72 14.513 -1.810 -4.567 1.00 0.00 O ATOM 1022 CB GLU A 72 15.516 -1.396 -7.103 1.00 0.00 C ATOM 1023 CG GLU A 72 16.295 -1.243 -8.383 1.00 0.00 C ATOM 1024 CD GLU A 72 17.425 -2.241 -8.532 1.00 0.00 C ATOM 1025 OE1 GLU A 72 18.340 -2.254 -7.684 1.00 0.00 O ATOM 1026 OE2 GLU A 72 17.393 -3.026 -9.501 1.00 0.00 O ATOM 0 H GLU A 72 17.612 -1.895 -5.882 1.00 0.00 H new ATOM 0 HA GLU A 72 16.080 0.491 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 72 15.535 -2.445 -6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.475 -1.139 -7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.614 -1.350 -9.227 1.00 0.00 H new ATOM 0 HG3 GLU A 72 16.705 -0.234 -8.430 1.00 0.00 H new ATOM 1033 N ASN A 73 14.733 0.378 -4.137 1.00 0.00 N ATOM 1034 CA ASN A 73 13.859 0.368 -2.973 1.00 0.00 C ATOM 1035 C ASN A 73 12.518 -0.279 -3.292 1.00 0.00 C ATOM 1036 O ASN A 73 11.918 -0.930 -2.438 1.00 0.00 O ATOM 1037 CB ASN A 73 13.631 1.798 -2.486 1.00 0.00 C ATOM 1038 CG ASN A 73 14.798 2.707 -2.826 1.00 0.00 C ATOM 1039 OD1 ASN A 73 15.840 2.679 -2.015 1.00 0.00 O flip ATOM 1040 ND2 ASN A 73 14.780 3.402 -3.836 1.00 0.00 N flip ATOM 0 H ASN A 73 15.087 1.302 -4.384 1.00 0.00 H new ATOM 0 HA ASN A 73 14.345 -0.218 -2.192 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.720 2.193 -2.936 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.477 1.793 -1.407 1.00 0.00 H new ATOM 0 HD21 ASN A 73 13.959 3.401 -4.441 1.00 0.00 H new ATOM 0 HD22 ASN A 73 15.586 3.981 -4.071 1.00 0.00 H new ATOM 1047 N SER A 74 12.080 -0.142 -4.536 1.00 0.00 N ATOM 1048 CA SER A 74 10.767 -0.613 -4.929 1.00 0.00 C ATOM 1049 C SER A 74 10.787 -2.109 -5.255 1.00 0.00 C ATOM 1050 O SER A 74 9.744 -2.759 -5.287 1.00 0.00 O ATOM 1051 CB SER A 74 10.266 0.201 -6.125 1.00 0.00 C ATOM 1052 OG SER A 74 8.961 -0.192 -6.517 1.00 0.00 O ATOM 0 H SER A 74 12.617 0.292 -5.287 1.00 0.00 H new ATOM 0 HA SER A 74 10.082 -0.474 -4.093 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.266 1.261 -5.870 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.951 0.075 -6.963 1.00 0.00 H new ATOM 0 HG SER A 74 8.812 -1.127 -6.266 1.00 0.00 H new ATOM 1058 N LYS A 75 11.977 -2.660 -5.474 1.00 0.00 N ATOM 1059 CA LYS A 75 12.097 -4.071 -5.831 1.00 0.00 C ATOM 1060 C LYS A 75 12.341 -4.925 -4.592 1.00 0.00 C ATOM 1061 O LYS A 75 12.303 -6.152 -4.663 1.00 0.00 O ATOM 1062 CB LYS A 75 13.248 -4.302 -6.816 1.00 0.00 C ATOM 1063 CG LYS A 75 13.194 -3.465 -8.086 1.00 0.00 C ATOM 1064 CD LYS A 75 14.219 -3.953 -9.093 1.00 0.00 C ATOM 1065 CE LYS A 75 14.176 -3.156 -10.385 1.00 0.00 C ATOM 1066 NZ LYS A 75 15.331 -3.481 -11.261 1.00 0.00 N ATOM 0 H LYS A 75 12.863 -2.159 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 75 11.157 -4.360 -6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.189 -4.097 -6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.260 -5.356 -7.095 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.196 -3.518 -8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.382 -2.418 -7.846 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.216 -3.883 -8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.039 -5.006 -9.311 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.246 -3.366 -10.913 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.179 -2.090 -10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.388 -2.786 -12.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.208 -3.452 -10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.206 -4.433 -11.661 1.00 0.00 H new ATOM 1080 N LYS A 76 12.597 -4.272 -3.466 1.00 0.00 N ATOM 1081 CA LYS A 76 12.974 -4.979 -2.246 1.00 0.00 C ATOM 1082 C LYS A 76 11.799 -5.715 -1.632 1.00 0.00 C ATOM 1083 O LYS A 76 11.853 -6.923 -1.422 1.00 0.00 O ATOM 1084 CB LYS A 76 13.530 -4.017 -1.206 1.00 0.00 C ATOM 1085 CG LYS A 76 14.772 -3.286 -1.645 1.00 0.00 C ATOM 1086 CD LYS A 76 15.410 -2.563 -0.486 1.00 0.00 C ATOM 1087 CE LYS A 76 16.055 -1.262 -0.914 1.00 0.00 C ATOM 1088 NZ LYS A 76 17.106 -0.816 0.044 1.00 0.00 N ATOM 0 H LYS A 76 12.551 -3.258 -3.371 1.00 0.00 H new ATOM 0 HA LYS A 76 13.738 -5.701 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.761 -3.286 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.751 -4.573 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.483 -3.993 -2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.520 -2.572 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.656 -2.361 0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.161 -3.206 -0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.495 -1.384 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.291 -0.489 -0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.026 0.210 0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.981 -1.309 0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.045 -1.037 -0.343 1.00 0.00 H new ATOM 1102 N ILE A 77 10.746 -4.975 -1.327 1.00 0.00 N ATOM 1103 CA ILE A 77 9.619 -5.538 -0.613 1.00 0.00 C ATOM 1104 C ILE A 77 8.657 -6.208 -1.576 1.00 0.00 C ATOM 1105 O ILE A 77 8.355 -5.684 -2.654 1.00 0.00 O ATOM 1106 CB ILE A 77 8.863 -4.471 0.205 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.839 -3.667 1.070 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.803 -5.112 1.081 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.630 -4.515 2.047 1.00 0.00 C ATOM 0 H ILE A 77 10.651 -3.987 -1.563 1.00 0.00 H new ATOM 0 HA ILE A 77 10.020 -6.278 0.079 1.00 0.00 H new ATOM 0 HB ILE A 77 8.372 -3.796 -0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.533 -3.135 0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.282 -2.913 1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.284 -4.339 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.088 -5.646 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.275 -5.812 1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.299 -3.877 2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.945 -5.027 2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.216 -5.252 1.498 1.00 0.00 H new ATOM 1121 N ILE A 78 8.193 -7.372 -1.180 1.00 0.00 N ATOM 1122 CA ILE A 78 7.245 -8.143 -1.988 1.00 0.00 C ATOM 1123 C ILE A 78 5.932 -8.331 -1.237 1.00 0.00 C ATOM 1124 O ILE A 78 5.931 -8.715 -0.077 1.00 0.00 O ATOM 1125 CB ILE A 78 7.810 -9.529 -2.405 1.00 0.00 C ATOM 1126 CG1 ILE A 78 8.821 -9.384 -3.546 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.693 -10.483 -2.815 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.189 -8.916 -3.106 1.00 0.00 C ATOM 0 H ILE A 78 8.452 -7.817 -0.299 1.00 0.00 H new ATOM 0 HA ILE A 78 7.070 -7.569 -2.898 1.00 0.00 H new ATOM 0 HB ILE A 78 8.318 -9.950 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.923 -10.345 -4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.427 -8.680 -4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.122 -11.444 -3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.010 -10.625 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.148 -10.063 -3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.844 -8.840 -3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.104 -7.940 -2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.608 -9.631 -2.397 1.00 0.00 H new ATOM 1140 N CYS A 79 4.822 -8.048 -1.900 1.00 0.00 N ATOM 1141 CA CYS A 79 3.502 -8.189 -1.296 1.00 0.00 C ATOM 1142 C CYS A 79 2.776 -9.420 -1.833 1.00 0.00 C ATOM 1143 O CYS A 79 2.985 -9.821 -2.979 1.00 0.00 O ATOM 1144 CB CYS A 79 2.674 -6.951 -1.603 1.00 0.00 C ATOM 1145 SG CYS A 79 2.893 -6.376 -3.295 1.00 0.00 S ATOM 0 H CYS A 79 4.807 -7.716 -2.865 1.00 0.00 H new ATOM 0 HA CYS A 79 3.630 -8.305 -0.220 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.620 -7.171 -1.431 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.950 -6.153 -0.913 1.00 0.00 H new ATOM 0 HG CYS A 79 2.106 -7.043 -4.085 1.00 0.00 H new ATOM 1151 N THR A 80 1.929 -10.012 -1.001 1.00 0.00 N ATOM 1152 CA THR A 80 1.082 -11.112 -1.422 1.00 0.00 C ATOM 1153 C THR A 80 -0.343 -10.952 -0.907 1.00 0.00 C ATOM 1154 O THR A 80 -0.619 -11.200 0.267 1.00 0.00 O ATOM 1155 CB THR A 80 1.618 -12.465 -0.927 1.00 0.00 C ATOM 1156 OG1 THR A 80 2.796 -12.828 -1.656 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.551 -13.540 -1.074 1.00 0.00 C ATOM 0 H THR A 80 1.813 -9.744 -0.024 1.00 0.00 H new ATOM 0 HA THR A 80 1.085 -11.093 -2.512 1.00 0.00 H new ATOM 0 HB THR A 80 1.876 -12.374 0.128 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.129 -13.690 -1.331 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.944 -14.493 -0.720 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.324 -13.267 -0.485 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.268 -13.631 -2.123 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.247 -10.563 -1.775 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.649 -10.604 -1.437 1.00 0.00 C ATOM 1167 C CYS A 81 -3.179 -11.972 -1.817 1.00 0.00 C ATOM 1168 O CYS A 81 -2.832 -12.526 -2.863 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.425 -9.486 -2.128 1.00 0.00 C ATOM 1170 SG CYS A 81 -2.953 -7.826 -1.575 1.00 0.00 S ATOM 0 H CYS A 81 -1.039 -10.218 -2.712 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.779 -10.442 -0.367 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.270 -9.559 -3.204 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.490 -9.630 -1.949 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.540 -7.562 -0.445 1.00 0.00 H new ATOM 1176 N LYS A 82 -3.997 -12.511 -0.945 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.351 -13.917 -0.975 1.00 0.00 C ATOM 1178 C LYS A 82 -5.523 -14.189 -1.907 1.00 0.00 C ATOM 1179 O LYS A 82 -5.972 -13.313 -2.642 1.00 0.00 O ATOM 1180 CB LYS A 82 -4.689 -14.383 0.434 1.00 0.00 C ATOM 1181 CG LYS A 82 -3.665 -13.966 1.473 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.458 -14.882 1.488 1.00 0.00 C ATOM 1183 CE LYS A 82 -2.826 -16.267 1.995 1.00 0.00 C ATOM 1184 NZ LYS A 82 -1.626 -17.108 2.233 1.00 0.00 N ATOM 0 H LYS A 82 -4.440 -11.988 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.494 -14.472 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.663 -13.984 0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.776 -15.470 0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.341 -12.945 1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.130 -13.965 2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.043 -14.958 0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.681 -14.454 2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.394 -16.175 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.475 -16.758 1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.921 -18.044 2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.097 -17.217 1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.018 -16.653 2.944 1.00 0.00 H new ATOM 1198 N GLU A 83 -6.000 -15.414 -1.891 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.164 -15.777 -2.686 1.00 0.00 C ATOM 1200 C GLU A 83 -8.454 -15.243 -2.045 1.00 0.00 C ATOM 1201 O GLU A 83 -9.301 -14.679 -2.743 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.241 -17.293 -2.882 1.00 0.00 C ATOM 1203 CG GLU A 83 -7.996 -17.706 -4.133 1.00 0.00 C ATOM 1204 CD GLU A 83 -7.337 -17.176 -5.390 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -6.156 -17.506 -5.626 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -7.986 -16.411 -6.132 1.00 0.00 O ATOM 0 H GLU A 83 -5.605 -16.177 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.058 -15.315 -3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.230 -17.697 -2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.723 -17.739 -2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.050 -18.794 -4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.020 -17.338 -4.077 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.631 -15.400 -0.710 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.764 -14.809 0.018 1.00 0.00 C ATOM 1215 C PRO A 84 -9.805 -13.283 -0.045 1.00 0.00 C ATOM 1216 O PRO A 84 -10.672 -12.663 0.563 1.00 0.00 O ATOM 1217 CB PRO A 84 -9.533 -15.235 1.471 1.00 0.00 C ATOM 1218 CG PRO A 84 -8.113 -15.663 1.537 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.793 -16.211 0.188 1.00 0.00 C ATOM 0 HA PRO A 84 -10.706 -15.145 -0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.727 -14.411 2.157 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.202 -16.048 1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.462 -14.824 1.783 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.967 -16.417 2.310 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.734 -16.109 -0.048 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.035 -17.271 0.116 1.00 0.00 H new ATOM 1227 N THR A 85 -8.879 -12.669 -0.763 1.00 0.00 N ATOM 1228 CA THR A 85 -8.829 -11.217 -0.808 1.00 0.00 C ATOM 1229 C THR A 85 -9.218 -10.676 -2.190 1.00 0.00 C ATOM 1230 O THR A 85 -8.512 -10.895 -3.171 1.00 0.00 O ATOM 1231 CB THR A 85 -7.441 -10.690 -0.377 1.00 0.00 C ATOM 1232 OG1 THR A 85 -6.417 -11.207 -1.218 1.00 0.00 O ATOM 1233 CG2 THR A 85 -7.149 -11.073 1.065 1.00 0.00 C ATOM 0 H THR A 85 -8.163 -13.143 -1.314 1.00 0.00 H new ATOM 0 HA THR A 85 -9.566 -10.848 -0.094 1.00 0.00 H new ATOM 0 HB THR A 85 -7.457 -9.604 -0.466 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.754 -11.991 -1.700 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.168 -10.694 1.351 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.909 -10.642 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.161 -12.159 1.163 1.00 0.00 H new ATOM 1241 N PRO A 86 -10.384 -9.992 -2.261 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.930 -9.362 -3.483 1.00 0.00 C ATOM 1243 C PRO A 86 -9.913 -8.670 -4.428 1.00 0.00 C ATOM 1244 O PRO A 86 -10.124 -8.665 -5.641 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.922 -8.348 -2.878 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.495 -9.090 -1.732 1.00 0.00 C ATOM 1247 CD PRO A 86 -11.331 -9.823 -1.125 1.00 0.00 C ATOM 0 HA PRO A 86 -11.351 -10.110 -4.155 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.421 -7.434 -2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.689 -8.056 -3.595 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.954 -8.412 -1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -13.271 -9.782 -2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.881 -9.255 -0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.636 -10.785 -0.712 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.827 -8.088 -3.909 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.913 -7.311 -4.752 1.00 0.00 C ATOM 1257 C ASN A 87 -6.511 -7.177 -4.162 1.00 0.00 C ATOM 1258 O ASN A 87 -6.287 -7.456 -2.989 1.00 0.00 O ATOM 1259 CB ASN A 87 -8.536 -5.938 -4.953 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.607 -4.831 -5.433 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.866 -4.250 -4.644 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -7.709 -4.462 -6.692 1.00 0.00 N ATOM 0 H ASN A 87 -8.562 -8.138 -2.925 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.782 -7.836 -5.698 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.350 -6.035 -5.672 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.980 -5.624 -4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.163 -3.673 -7.038 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.334 -4.965 -7.322 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.582 -6.776 -5.023 1.00 0.00 N ATOM 1270 CA ALA A 88 -4.264 -6.296 -4.621 1.00 0.00 C ATOM 1271 C ALA A 88 -3.961 -5.020 -5.390 1.00 0.00 C ATOM 1272 O ALA A 88 -3.661 -5.057 -6.586 1.00 0.00 O ATOM 1273 CB ALA A 88 -3.195 -7.335 -4.894 1.00 0.00 C ATOM 0 H ALA A 88 -5.725 -6.775 -6.033 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.266 -6.101 -3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.224 -6.948 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.419 -8.243 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.172 -7.562 -5.960 1.00 0.00 H new ATOM 1279 N TYR A 89 -4.045 -3.891 -4.705 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.833 -2.607 -5.336 1.00 0.00 C ATOM 1281 C TYR A 89 -2.371 -2.259 -5.303 1.00 0.00 C ATOM 1282 O TYR A 89 -1.728 -2.404 -4.262 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.605 -1.515 -4.620 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.617 -0.827 -5.475 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -5.242 0.090 -6.448 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.950 -1.081 -5.290 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -6.188 0.731 -7.218 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.899 -0.448 -6.045 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.519 0.459 -7.013 1.00 0.00 C ATOM 1290 OH TYR A 89 -8.469 1.095 -7.779 1.00 0.00 O ATOM 0 H TYR A 89 -4.259 -3.842 -3.709 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.184 -2.677 -6.366 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.108 -1.947 -3.755 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.900 -0.775 -4.241 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.195 0.304 -6.603 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.257 -1.792 -4.537 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.886 1.440 -7.975 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.946 -0.658 -5.883 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.050 1.631 -7.200 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.852 -1.794 -6.429 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.451 -1.431 -6.512 1.00 0.00 C ATOM 1302 C TYR A 90 0.388 -2.616 -6.096 1.00 0.00 C ATOM 1303 O TYR A 90 1.234 -2.528 -5.211 1.00 0.00 O ATOM 1304 CB TYR A 90 -0.179 -0.181 -5.663 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.799 1.055 -6.277 1.00 0.00 C ATOM 1306 CD1 TYR A 90 -2.096 1.438 -5.962 1.00 0.00 C ATOM 1307 CD2 TYR A 90 -0.099 1.818 -7.204 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -2.677 2.544 -6.549 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -0.672 2.931 -7.789 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.962 3.287 -7.459 1.00 0.00 C ATOM 1311 OH TYR A 90 -2.543 4.381 -8.050 1.00 0.00 O ATOM 0 H TYR A 90 -2.379 -1.661 -7.292 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.181 -1.176 -7.537 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.578 -0.328 -4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.897 -0.037 -5.561 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.660 0.860 -5.245 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.909 1.537 -7.471 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.688 2.825 -6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.112 3.519 -8.501 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.905 4.797 -8.667 1.00 0.00 H new ATOM 1321 N GLU A 91 0.091 -3.746 -6.746 1.00 0.00 N ATOM 1322 CA GLU A 91 0.818 -4.997 -6.578 1.00 0.00 C ATOM 1323 C GLU A 91 0.479 -5.686 -5.259 1.00 0.00 C ATOM 1324 O GLU A 91 0.668 -6.897 -5.110 1.00 0.00 O ATOM 1325 CB GLU A 91 2.312 -4.728 -6.696 1.00 0.00 C ATOM 1326 CG GLU A 91 2.649 -3.796 -7.852 1.00 0.00 C ATOM 1327 CD GLU A 91 2.588 -4.480 -9.200 1.00 0.00 C ATOM 1328 OE1 GLU A 91 3.595 -5.086 -9.605 1.00 0.00 O ATOM 1329 OE2 GLU A 91 1.528 -4.412 -9.861 1.00 0.00 O ATOM 0 H GLU A 91 -0.676 -3.812 -7.415 1.00 0.00 H new ATOM 0 HA GLU A 91 0.512 -5.684 -7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.674 -4.292 -5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.838 -5.673 -6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 91 1.957 -2.954 -7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.649 -3.388 -7.703 1.00 0.00 H new ATOM 1336 N GLY A 92 -0.048 -4.923 -4.323 1.00 0.00 N ATOM 1337 CA GLY A 92 -0.350 -5.439 -3.004 1.00 0.00 C ATOM 1338 C GLY A 92 -0.061 -4.428 -1.913 1.00 0.00 C ATOM 1339 O GLY A 92 0.118 -4.791 -0.753 1.00 0.00 O ATOM 0 H GLY A 92 -0.277 -3.938 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.400 -5.728 -2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.236 -6.341 -2.826 1.00 0.00 H new ATOM 1343 N VAL A 93 0.012 -3.157 -2.290 1.00 0.00 N ATOM 1344 CA VAL A 93 0.098 -2.079 -1.314 1.00 0.00 C ATOM 1345 C VAL A 93 -1.220 -1.983 -0.561 1.00 0.00 C ATOM 1346 O VAL A 93 -1.279 -1.508 0.572 1.00 0.00 O ATOM 1347 CB VAL A 93 0.424 -0.722 -1.981 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.611 0.376 -0.949 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.666 -0.845 -2.840 1.00 0.00 C ATOM 0 H VAL A 93 0.013 -2.849 -3.262 1.00 0.00 H new ATOM 0 HA VAL A 93 0.911 -2.307 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.423 -0.450 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.839 1.315 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.304 0.489 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.433 0.113 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.884 0.117 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.509 -1.148 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.499 -1.592 -3.616 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.284 -2.440 -1.217 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.610 -2.507 -0.597 1.00 0.00 C ATOM 1361 C PHE A 94 -4.371 -3.687 -1.140 1.00 0.00 C ATOM 1362 O PHE A 94 -3.859 -4.455 -1.957 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.469 -1.271 -0.900 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.715 -0.003 -1.014 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.973 0.245 -2.141 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.749 0.934 -0.010 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.269 1.401 -2.271 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -3.049 2.103 -0.132 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.306 2.338 -1.263 1.00 0.00 C ATOM 0 H PHE A 94 -2.256 -2.771 -2.181 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.435 -2.580 0.476 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.009 -1.441 -1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.216 -1.164 -0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.948 -0.487 -2.935 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.331 0.747 0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.684 1.583 -3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.081 2.838 0.658 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.750 3.259 -1.362 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.605 -3.804 -0.695 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.519 -4.748 -1.265 1.00 0.00 C ATOM 1381 C CYS A 95 -7.937 -4.163 -1.297 1.00 0.00 C ATOM 1382 O CYS A 95 -8.540 -3.914 -0.263 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.469 -6.018 -0.432 1.00 0.00 C ATOM 1384 SG CYS A 95 -6.573 -5.742 1.352 1.00 0.00 S ATOM 0 H CYS A 95 -5.992 -3.248 0.067 1.00 0.00 H new ATOM 0 HA CYS A 95 -6.238 -4.975 -2.293 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.288 -6.670 -0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.542 -6.547 -0.653 1.00 0.00 H new ATOM 0 HG CYS A 95 -5.676 -6.463 1.956 1.00 0.00 H new ATOM 1390 N SER A 96 -8.474 -4.041 -2.499 1.00 0.00 N ATOM 1391 CA SER A 96 -9.771 -3.397 -2.767 1.00 0.00 C ATOM 1392 C SER A 96 -10.845 -4.408 -3.188 1.00 0.00 C ATOM 1393 O SER A 96 -10.595 -5.596 -3.283 1.00 0.00 O ATOM 1394 CB SER A 96 -9.602 -2.379 -3.887 1.00 0.00 C ATOM 1395 OG SER A 96 -9.741 -1.055 -3.407 1.00 0.00 O ATOM 0 H SER A 96 -8.019 -4.391 -3.342 1.00 0.00 H new ATOM 0 HA SER A 96 -10.096 -2.919 -1.843 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.621 -2.500 -4.346 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.343 -2.565 -4.665 1.00 0.00 H new ATOM 0 HG SER A 96 -10.421 -0.586 -3.934 1.00 0.00 H new ATOM 1401 N SER A 97 -12.071 -3.950 -3.383 1.00 0.00 N ATOM 1402 CA SER A 97 -13.086 -4.815 -3.961 1.00 0.00 C ATOM 1403 C SER A 97 -12.896 -4.795 -5.468 1.00 0.00 C ATOM 1404 O SER A 97 -13.774 -4.353 -6.203 1.00 0.00 O ATOM 1405 CB SER A 97 -14.497 -4.359 -3.598 1.00 0.00 C ATOM 1406 OG SER A 97 -15.472 -5.300 -4.012 1.00 0.00 O ATOM 0 H SER A 97 -12.383 -3.006 -3.156 1.00 0.00 H new ATOM 0 HA SER A 97 -12.974 -5.824 -3.564 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.567 -4.212 -2.520 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.700 -3.395 -4.065 1.00 0.00 H new ATOM 0 HG SER A 97 -16.364 -4.978 -3.763 1.00 0.00 H new ATOM 1412 N SER A 98 -11.711 -5.245 -5.886 1.00 0.00 N ATOM 1413 CA SER A 98 -11.199 -5.133 -7.264 1.00 0.00 C ATOM 1414 C SER A 98 -10.922 -3.668 -7.643 1.00 0.00 C ATOM 1415 O SER A 98 -9.904 -3.360 -8.258 1.00 0.00 O ATOM 1416 CB SER A 98 -12.106 -5.830 -8.301 1.00 0.00 C ATOM 1417 OG SER A 98 -13.351 -5.175 -8.490 1.00 0.00 O ATOM 0 H SER A 98 -11.057 -5.713 -5.259 1.00 0.00 H new ATOM 0 HA SER A 98 -10.249 -5.668 -7.285 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.582 -5.881 -9.255 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.288 -6.856 -7.982 1.00 0.00 H new ATOM 0 HG SER A 98 -13.877 -5.228 -7.665 1.00 0.00 H new ATOM 1423 N SER A 99 -11.824 -2.777 -7.271 1.00 0.00 N ATOM 1424 CA SER A 99 -11.618 -1.345 -7.439 1.00 0.00 C ATOM 1425 C SER A 99 -12.093 -0.598 -6.196 1.00 0.00 C ATOM 1426 O SER A 99 -11.237 -0.146 -5.410 1.00 0.00 O ATOM 1427 CB SER A 99 -12.359 -0.840 -8.675 1.00 0.00 C ATOM 1428 OG SER A 99 -11.878 -1.472 -9.851 1.00 0.00 O ATOM 1429 OXT SER A 99 -13.319 -0.503 -5.995 1.00 0.00 O ATOM 0 H SER A 99 -12.718 -3.022 -6.845 1.00 0.00 H new ATOM 0 HA SER A 99 -10.553 -1.160 -7.576 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.427 -1.031 -8.566 1.00 0.00 H new ATOM 0 HB3 SER A 99 -12.235 0.239 -8.762 1.00 0.00 H new ATOM 0 HG SER A 99 -12.369 -1.133 -10.629 1.00 0.00 H new TER 1435 SER A 99