USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 690 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 59 LYS NZ :NH3+ 180:sc= -0.0523 (180deg=0) USER MOD Set 1.2: A 85 MET CE :methyl -138:sc= -0.275 (180deg=-1.25) USER MOD Set 2.1: A 50 ASN :FLIP amide:sc= -7.88! C(o=-9.6!,f=-7.9!) USER MOD Set 2.2: A 53 HIS : no HD1:sc= 0 K(o=-7.9,f=-8.7) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -125:sc= -2.81! (180deg=0) USER MOD Set 3.2: A 45 LYS NZ :NH3+ -148:sc= -6.83! (180deg=-2.82!) USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0308) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 127:sc= -1.92! USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 0.268 (180deg=0.257) USER MOD Single : A 31 ASN : amide:sc= -0.322 K(o=-0.32,f=-1.8!) USER MOD Single : A 36 THR OG1 : rot 51:sc= 1.18 USER MOD Single : A 42 THR OG1 : rot -19:sc= -1.17! USER MOD Single : A 57 THR OG1 : rot -62:sc= 0.771 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.15) USER MOD Single : A 65 LYS NZ :NH3+ -143:sc= -2.18 (180deg=-3.99) USER MOD Single : A 68 SER OG : rot 180:sc= -0.398 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= -0.174 (180deg=-0.211) USER MOD Single : A 79 SER OG : rot -90:sc= -1.22 USER MOD Single : A 80 ASN :FLIP amide:sc= -2.25! C(o=-3.7!,f=-2.3!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 173:sc= -3.44! (180deg=-3.64!) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 5 -11.106 1.892 -6.513 1.00 1.58 N ATOM 47 CA GLU A 5 -11.858 0.971 -5.619 1.00 1.64 C ATOM 48 C GLU A 5 -10.841 0.177 -4.779 1.00 1.26 C ATOM 49 O GLU A 5 -9.648 0.367 -4.894 1.00 1.71 O ATOM 50 CB GLU A 5 -12.799 0.050 -6.413 1.00 2.56 C ATOM 51 CG GLU A 5 -12.053 -1.123 -7.040 1.00 3.25 C ATOM 52 CD GLU A 5 -13.029 -1.921 -7.911 1.00 4.18 C ATOM 53 OE1 GLU A 5 -14.189 -1.549 -7.956 1.00 4.68 O ATOM 54 OE2 GLU A 5 -12.606 -2.907 -8.491 1.00 4.72 O ATOM 0 HA GLU A 5 -12.502 1.547 -4.954 1.00 1.64 H new ATOM 0 HB2 GLU A 5 -13.579 -0.328 -5.752 1.00 2.56 H new ATOM 0 HB3 GLU A 5 -13.294 0.625 -7.195 1.00 2.56 H new ATOM 0 HG2 GLU A 5 -11.219 -0.762 -7.642 1.00 3.25 H new ATOM 0 HG3 GLU A 5 -11.632 -1.761 -6.263 1.00 3.25 H new ATOM 61 N VAL A 6 -11.302 -0.730 -3.970 1.00 1.37 N ATOM 62 CA VAL A 6 -10.393 -1.566 -3.152 1.00 1.13 C ATOM 63 C VAL A 6 -9.527 -2.386 -4.102 1.00 0.99 C ATOM 64 O VAL A 6 -9.912 -2.655 -5.217 1.00 1.03 O ATOM 65 CB VAL A 6 -11.216 -2.497 -2.258 1.00 1.36 C ATOM 66 CG1 VAL A 6 -12.229 -1.674 -1.461 1.00 2.38 C ATOM 67 CG2 VAL A 6 -11.959 -3.515 -3.128 1.00 1.54 C ATOM 0 H VAL A 6 -12.294 -0.930 -3.840 1.00 1.37 H new ATOM 0 HA VAL A 6 -9.766 -0.941 -2.516 1.00 1.13 H new ATOM 0 HB VAL A 6 -10.552 -3.021 -1.571 1.00 1.36 H new ATOM 0 HG11 VAL A 6 -12.815 -2.336 -0.824 1.00 2.38 H new ATOM 0 HG12 VAL A 6 -11.702 -0.948 -0.842 1.00 2.38 H new ATOM 0 HG13 VAL A 6 -12.893 -1.150 -2.148 1.00 2.38 H new ATOM 0 HG21 VAL A 6 -12.545 -4.178 -2.492 1.00 1.54 H new ATOM 0 HG22 VAL A 6 -12.623 -2.991 -3.815 1.00 1.54 H new ATOM 0 HG23 VAL A 6 -11.238 -4.102 -3.697 1.00 1.54 H new ATOM 77 N GLY A 7 -8.379 -2.810 -3.686 1.00 0.95 N ATOM 78 CA GLY A 7 -7.539 -3.629 -4.595 1.00 0.96 C ATOM 79 C GLY A 7 -6.557 -2.775 -5.408 1.00 0.91 C ATOM 80 O GLY A 7 -6.142 -3.172 -6.478 1.00 1.47 O ATOM 0 H GLY A 7 -7.984 -2.629 -2.763 1.00 0.95 H new ATOM 0 HA2 GLY A 7 -6.982 -4.361 -4.010 1.00 0.96 H new ATOM 0 HA3 GLY A 7 -8.182 -4.187 -5.276 1.00 0.96 H new ATOM 84 N ARG A 8 -6.208 -1.604 -4.938 1.00 0.62 N ATOM 85 CA ARG A 8 -5.278 -0.723 -5.718 1.00 0.60 C ATOM 86 C ARG A 8 -4.055 -0.354 -4.886 1.00 0.52 C ATOM 87 O ARG A 8 -3.962 -0.673 -3.716 1.00 0.57 O ATOM 88 CB ARG A 8 -5.968 0.559 -6.147 1.00 0.67 C ATOM 89 CG ARG A 8 -6.321 1.405 -4.925 1.00 1.19 C ATOM 90 CD ARG A 8 -7.211 2.563 -5.368 1.00 1.16 C ATOM 91 NE ARG A 8 -7.472 3.468 -4.211 1.00 1.98 N ATOM 92 CZ ARG A 8 -8.233 3.076 -3.225 1.00 2.55 C ATOM 93 NH1 ARG A 8 -8.759 1.885 -3.238 1.00 2.63 N ATOM 94 NH2 ARG A 8 -8.459 3.877 -2.220 1.00 3.56 N ATOM 0 H ARG A 8 -6.525 -1.218 -4.049 1.00 0.62 H new ATOM 0 HA ARG A 8 -4.971 -1.285 -6.600 1.00 0.60 H new ATOM 0 HB2 ARG A 8 -5.317 1.125 -6.814 1.00 0.67 H new ATOM 0 HB3 ARG A 8 -6.872 0.323 -6.708 1.00 0.67 H new ATOM 0 HG2 ARG A 8 -6.836 0.797 -4.181 1.00 1.19 H new ATOM 0 HG3 ARG A 8 -5.414 1.785 -4.454 1.00 1.19 H new ATOM 0 HD2 ARG A 8 -6.729 3.117 -6.174 1.00 1.16 H new ATOM 0 HD3 ARG A 8 -8.152 2.181 -5.762 1.00 1.16 H new ATOM 0 HE ARG A 8 -7.054 4.398 -4.190 1.00 1.98 H new ATOM 0 HH11 ARG A 8 -8.577 1.256 -4.020 1.00 2.63 H new ATOM 0 HH12 ARG A 8 -9.353 1.581 -2.466 1.00 2.63 H new ATOM 0 HH21 ARG A 8 -8.041 4.808 -2.206 1.00 3.56 H new ATOM 0 HH22 ARG A 8 -9.053 3.573 -1.449 1.00 3.56 H new ATOM 108 N ILE A 9 -3.074 0.255 -5.513 1.00 0.50 N ATOM 109 CA ILE A 9 -1.801 0.576 -4.796 1.00 0.51 C ATOM 110 C ILE A 9 -1.791 2.048 -4.400 1.00 0.41 C ATOM 111 O ILE A 9 -2.307 2.905 -5.103 1.00 0.39 O ATOM 112 CB ILE A 9 -0.618 0.323 -5.720 1.00 0.64 C ATOM 113 CG1 ILE A 9 -0.696 -1.089 -6.317 1.00 1.05 C ATOM 114 CG2 ILE A 9 0.682 0.463 -4.926 1.00 0.92 C ATOM 115 CD1 ILE A 9 -1.061 -2.114 -5.250 1.00 1.43 C ATOM 0 H ILE A 9 -3.102 0.543 -6.491 1.00 0.50 H new ATOM 0 HA ILE A 9 -1.729 -0.052 -3.908 1.00 0.51 H new ATOM 0 HB ILE A 9 -0.642 1.051 -6.531 1.00 0.64 H new ATOM 0 HG12 ILE A 9 -1.438 -1.110 -7.115 1.00 1.05 H new ATOM 0 HG13 ILE A 9 0.262 -1.351 -6.766 1.00 1.05 H new ATOM 0 HG21 ILE A 9 1.532 0.282 -5.584 1.00 0.92 H new ATOM 0 HG22 ILE A 9 0.750 1.470 -4.514 1.00 0.92 H new ATOM 0 HG23 ILE A 9 0.692 -0.263 -4.113 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -1.110 -3.106 -5.700 1.00 1.43 H new ATOM 0 HD12 ILE A 9 -0.304 -2.108 -4.466 1.00 1.43 H new ATOM 0 HD13 ILE A 9 -2.031 -1.863 -4.820 1.00 1.43 H new ATOM 127 N CYS A 10 -1.284 2.326 -3.227 1.00 0.40 N ATOM 128 CA CYS A 10 -1.290 3.710 -2.680 1.00 0.35 C ATOM 129 C CYS A 10 0.114 4.258 -2.456 1.00 0.35 C ATOM 130 O CYS A 10 1.076 3.547 -2.298 1.00 0.40 O ATOM 131 CB CYS A 10 -1.958 3.644 -1.310 1.00 0.36 C ATOM 132 SG CYS A 10 -0.936 4.443 -0.023 1.00 1.19 S ATOM 0 H CYS A 10 -0.857 1.633 -2.613 1.00 0.40 H new ATOM 0 HA CYS A 10 -1.803 4.356 -3.393 1.00 0.35 H new ATOM 0 HB2 CYS A 10 -2.932 4.131 -1.356 1.00 0.36 H new ATOM 0 HB3 CYS A 10 -2.134 2.603 -1.041 1.00 0.36 H new ATOM 137 N VAL A 11 0.190 5.540 -2.460 1.00 0.34 N ATOM 138 CA VAL A 11 1.485 6.268 -2.236 1.00 0.41 C ATOM 139 C VAL A 11 1.281 7.150 -1.003 1.00 0.41 C ATOM 140 O VAL A 11 0.208 7.669 -0.832 1.00 0.39 O ATOM 141 CB VAL A 11 1.808 7.139 -3.451 1.00 0.53 C ATOM 142 CG1 VAL A 11 3.179 7.791 -3.262 1.00 0.79 C ATOM 143 CG2 VAL A 11 1.828 6.269 -4.710 1.00 0.95 C ATOM 0 H VAL A 11 -0.611 6.153 -2.613 1.00 0.34 H new ATOM 0 HA VAL A 11 2.311 5.571 -2.091 1.00 0.41 H new ATOM 0 HB VAL A 11 1.048 7.914 -3.555 1.00 0.53 H new ATOM 0 HG11 VAL A 11 3.409 8.412 -4.128 1.00 0.79 H new ATOM 0 HG12 VAL A 11 3.167 8.410 -2.365 1.00 0.79 H new ATOM 0 HG13 VAL A 11 3.939 7.017 -3.158 1.00 0.79 H new ATOM 0 HG21 VAL A 11 2.058 6.889 -5.577 1.00 0.95 H new ATOM 0 HG22 VAL A 11 2.588 5.495 -4.605 1.00 0.95 H new ATOM 0 HG23 VAL A 11 0.852 5.803 -4.846 1.00 0.95 H new ATOM 153 N LYS A 12 2.186 7.295 -0.064 1.00 0.50 N ATOM 154 CA LYS A 12 1.807 8.102 1.140 1.00 0.58 C ATOM 155 C LYS A 12 1.984 9.597 0.853 1.00 0.66 C ATOM 156 O LYS A 12 3.004 10.008 0.337 1.00 0.86 O ATOM 157 CB LYS A 12 2.823 7.768 2.248 1.00 0.77 C ATOM 158 CG LYS A 12 2.326 8.264 3.606 1.00 1.44 C ATOM 159 CD LYS A 12 3.395 7.957 4.662 1.00 1.81 C ATOM 160 CE LYS A 12 2.867 8.267 6.066 1.00 2.64 C ATOM 161 NZ LYS A 12 3.277 7.177 6.997 1.00 3.12 N ATOM 0 H LYS A 12 3.130 6.909 -0.073 1.00 0.50 H new ATOM 0 HA LYS A 12 0.775 7.881 1.412 1.00 0.58 H new ATOM 0 HB2 LYS A 12 2.986 6.691 2.286 1.00 0.77 H new ATOM 0 HB3 LYS A 12 3.784 8.227 2.017 1.00 0.77 H new ATOM 0 HG2 LYS A 12 2.129 9.335 3.568 1.00 1.44 H new ATOM 0 HG3 LYS A 12 1.387 7.776 3.866 1.00 1.44 H new ATOM 0 HD2 LYS A 12 3.685 6.908 4.600 1.00 1.81 H new ATOM 0 HD3 LYS A 12 4.290 8.548 4.465 1.00 1.81 H new ATOM 0 HE2 LYS A 12 3.259 9.223 6.412 1.00 2.64 H new ATOM 0 HE3 LYS A 12 1.781 8.356 6.047 1.00 2.64 H new ATOM 0 HZ1 LYS A 12 2.823 7.321 7.921 1.00 3.12 H new ATOM 0 HZ2 LYS A 12 2.984 6.259 6.607 1.00 3.12 H new ATOM 0 HZ3 LYS A 12 4.310 7.190 7.113 1.00 3.12 H new ATOM 175 N VAL A 13 1.020 10.423 1.224 1.00 0.63 N ATOM 176 CA VAL A 13 1.197 11.890 1.003 1.00 0.80 C ATOM 177 C VAL A 13 1.387 12.577 2.360 1.00 0.93 C ATOM 178 O VAL A 13 0.486 13.175 2.913 1.00 0.88 O ATOM 179 CB VAL A 13 -0.061 12.448 0.335 1.00 0.82 C ATOM 180 CG1 VAL A 13 -1.259 12.206 1.246 1.00 1.69 C ATOM 181 CG2 VAL A 13 0.107 13.950 0.096 1.00 1.27 C ATOM 0 H VAL A 13 0.141 10.145 1.660 1.00 0.63 H new ATOM 0 HA VAL A 13 2.065 12.070 0.369 1.00 0.80 H new ATOM 0 HB VAL A 13 -0.220 11.949 -0.621 1.00 0.82 H new ATOM 0 HG11 VAL A 13 -2.159 12.601 0.776 1.00 1.69 H new ATOM 0 HG12 VAL A 13 -1.378 11.136 1.414 1.00 1.69 H new ATOM 0 HG13 VAL A 13 -1.098 12.708 2.200 1.00 1.69 H new ATOM 0 HG21 VAL A 13 -0.790 14.345 -0.380 1.00 1.27 H new ATOM 0 HG22 VAL A 13 0.265 14.455 1.049 1.00 1.27 H new ATOM 0 HG23 VAL A 13 0.967 14.121 -0.552 1.00 1.27 H new ATOM 191 N LYS A 14 2.588 12.542 2.852 1.00 1.19 N ATOM 192 CA LYS A 14 2.950 13.225 4.129 1.00 1.42 C ATOM 193 C LYS A 14 4.446 13.492 4.067 1.00 1.67 C ATOM 194 O LYS A 14 5.123 12.913 3.248 1.00 1.73 O ATOM 195 CB LYS A 14 2.616 12.373 5.366 1.00 1.43 C ATOM 196 CG LYS A 14 1.100 12.167 5.480 1.00 1.52 C ATOM 197 CD LYS A 14 0.782 11.380 6.757 1.00 1.56 C ATOM 198 CE LYS A 14 1.091 12.232 7.994 1.00 2.28 C ATOM 199 NZ LYS A 14 0.196 11.821 9.113 1.00 2.43 N ATOM 0 H LYS A 14 3.365 12.051 2.409 1.00 1.19 H new ATOM 0 HA LYS A 14 2.373 14.144 4.231 1.00 1.42 H new ATOM 0 HB2 LYS A 14 3.116 11.407 5.296 1.00 1.43 H new ATOM 0 HB3 LYS A 14 2.992 12.862 6.265 1.00 1.43 H new ATOM 0 HG2 LYS A 14 0.592 13.131 5.499 1.00 1.52 H new ATOM 0 HG3 LYS A 14 0.729 11.629 4.607 1.00 1.52 H new ATOM 0 HD2 LYS A 14 -0.268 11.087 6.761 1.00 1.56 H new ATOM 0 HD3 LYS A 14 1.369 10.462 6.783 1.00 1.56 H new ATOM 0 HE2 LYS A 14 2.134 12.108 8.284 1.00 2.28 H new ATOM 0 HE3 LYS A 14 0.947 13.288 7.767 1.00 2.28 H new ATOM 0 HZ1 LYS A 14 0.404 12.398 9.953 1.00 2.43 H new ATOM 0 HZ2 LYS A 14 -0.796 11.961 8.834 1.00 2.43 H new ATOM 0 HZ3 LYS A 14 0.355 10.817 9.334 1.00 2.43 H new ATOM 213 N GLY A 15 5.001 14.328 4.894 1.00 1.91 N ATOM 214 CA GLY A 15 6.471 14.521 4.771 1.00 2.20 C ATOM 215 C GLY A 15 7.139 13.389 5.554 1.00 2.22 C ATOM 216 O GLY A 15 6.481 12.666 6.271 1.00 2.26 O ATOM 0 H GLY A 15 4.528 14.866 5.620 1.00 1.91 H new ATOM 0 HA2 GLY A 15 6.776 14.499 3.725 1.00 2.20 H new ATOM 0 HA3 GLY A 15 6.767 15.492 5.169 1.00 2.20 H new ATOM 220 N ARG A 16 8.419 13.188 5.355 1.00 2.31 N ATOM 221 CA ARG A 16 9.120 12.027 6.001 1.00 2.37 C ATOM 222 C ARG A 16 8.375 10.733 5.600 1.00 2.28 C ATOM 223 O ARG A 16 7.165 10.673 5.596 1.00 2.27 O ATOM 224 CB ARG A 16 9.121 12.184 7.526 1.00 2.49 C ATOM 225 CG ARG A 16 9.919 13.432 7.910 1.00 2.87 C ATOM 226 CD ARG A 16 10.013 13.529 9.433 1.00 3.02 C ATOM 227 NE ARG A 16 10.610 14.841 9.813 1.00 3.63 N ATOM 228 CZ ARG A 16 11.894 15.035 9.682 1.00 4.15 C ATOM 229 NH1 ARG A 16 12.654 14.080 9.217 1.00 4.18 N ATOM 230 NH2 ARG A 16 12.418 16.182 10.015 1.00 4.93 N ATOM 0 H ARG A 16 9.013 13.778 4.772 1.00 2.31 H new ATOM 0 HA ARG A 16 10.157 11.985 5.667 1.00 2.37 H new ATOM 0 HB2 ARG A 16 8.098 12.266 7.895 1.00 2.49 H new ATOM 0 HB3 ARG A 16 9.559 11.302 7.993 1.00 2.49 H new ATOM 0 HG2 ARG A 16 10.918 13.386 7.476 1.00 2.87 H new ATOM 0 HG3 ARG A 16 9.437 14.323 7.507 1.00 2.87 H new ATOM 0 HD2 ARG A 16 9.022 13.426 9.876 1.00 3.02 H new ATOM 0 HD3 ARG A 16 10.623 12.714 9.823 1.00 3.02 H new ATOM 0 HE ARG A 16 10.015 15.587 10.175 1.00 3.63 H new ATOM 0 HH11 ARG A 16 12.244 13.183 8.956 1.00 4.18 H new ATOM 0 HH12 ARG A 16 13.658 14.231 9.114 1.00 4.18 H new ATOM 0 HH21 ARG A 16 11.824 16.928 10.378 1.00 4.93 H new ATOM 0 HH22 ARG A 16 13.422 16.333 9.912 1.00 4.93 H new ATOM 244 N GLU A 17 9.090 9.701 5.220 1.00 2.28 N ATOM 245 CA GLU A 17 8.411 8.436 4.773 1.00 2.23 C ATOM 246 C GLU A 17 7.327 8.853 3.752 1.00 1.93 C ATOM 247 O GLU A 17 6.355 8.177 3.501 1.00 2.50 O ATOM 248 CB GLU A 17 7.789 7.745 6.000 1.00 2.57 C ATOM 249 CG GLU A 17 7.256 6.349 5.639 1.00 2.68 C ATOM 250 CD GLU A 17 6.566 5.740 6.860 1.00 2.78 C ATOM 251 OE1 GLU A 17 6.511 6.408 7.879 1.00 3.04 O ATOM 252 OE2 GLU A 17 6.103 4.616 6.756 1.00 3.13 O ATOM 0 H GLU A 17 10.109 9.676 5.199 1.00 2.28 H new ATOM 0 HA GLU A 17 9.105 7.733 4.312 1.00 2.23 H new ATOM 0 HB2 GLU A 17 8.535 7.660 6.790 1.00 2.57 H new ATOM 0 HB3 GLU A 17 6.977 8.357 6.393 1.00 2.57 H new ATOM 0 HG2 GLU A 17 6.554 6.419 4.808 1.00 2.68 H new ATOM 0 HG3 GLU A 17 8.075 5.708 5.312 1.00 2.68 H new ATOM 259 N ALA A 18 7.508 10.022 3.212 1.00 1.46 N ATOM 260 CA ALA A 18 6.496 10.562 2.260 1.00 1.34 C ATOM 261 C ALA A 18 6.321 9.573 1.115 1.00 1.18 C ATOM 262 O ALA A 18 5.226 9.298 0.681 1.00 1.77 O ATOM 263 CB ALA A 18 6.978 11.905 1.705 1.00 1.78 C ATOM 0 H ALA A 18 8.310 10.628 3.386 1.00 1.46 H new ATOM 0 HA ALA A 18 5.546 10.707 2.774 1.00 1.34 H new ATOM 0 HB1 ALA A 18 6.237 12.298 1.009 1.00 1.78 H new ATOM 0 HB2 ALA A 18 7.115 12.609 2.525 1.00 1.78 H new ATOM 0 HB3 ALA A 18 7.926 11.765 1.185 1.00 1.78 H new ATOM 269 N GLY A 19 7.386 9.094 0.580 1.00 1.06 N ATOM 270 CA GLY A 19 7.290 8.173 -0.579 1.00 1.02 C ATOM 271 C GLY A 19 7.285 6.725 -0.109 1.00 0.78 C ATOM 272 O GLY A 19 8.309 6.146 0.193 1.00 0.90 O ATOM 0 H GLY A 19 8.335 9.298 0.893 1.00 1.06 H new ATOM 0 HA2 GLY A 19 6.381 8.382 -1.143 1.00 1.02 H new ATOM 0 HA3 GLY A 19 8.129 8.340 -1.254 1.00 1.02 H new ATOM 276 N SER A 20 6.138 6.121 -0.120 1.00 0.62 N ATOM 277 CA SER A 20 6.032 4.689 0.242 1.00 0.54 C ATOM 278 C SER A 20 4.914 4.103 -0.576 1.00 0.48 C ATOM 279 O SER A 20 3.860 4.702 -0.666 1.00 0.53 O ATOM 280 CB SER A 20 5.636 4.541 1.702 1.00 0.71 C ATOM 281 OG SER A 20 5.597 3.161 2.035 1.00 1.36 O ATOM 0 H SER A 20 5.255 6.566 -0.369 1.00 0.62 H new ATOM 0 HA SER A 20 6.988 4.197 0.065 1.00 0.54 H new ATOM 0 HB2 SER A 20 6.350 5.062 2.340 1.00 0.71 H new ATOM 0 HB3 SER A 20 4.661 4.997 1.875 1.00 0.71 H new ATOM 0 HG SER A 20 6.146 3.001 2.831 1.00 1.36 H new ATOM 287 N LYS A 21 5.089 2.951 -1.151 1.00 0.45 N ATOM 288 CA LYS A 21 3.981 2.376 -1.932 1.00 0.44 C ATOM 289 C LYS A 21 3.183 1.466 -1.009 1.00 0.39 C ATOM 290 O LYS A 21 3.743 0.774 -0.181 1.00 0.39 O ATOM 291 CB LYS A 21 4.531 1.557 -3.093 1.00 0.51 C ATOM 292 CG LYS A 21 5.095 2.467 -4.195 1.00 1.45 C ATOM 293 CD LYS A 21 6.500 2.956 -3.822 1.00 1.74 C ATOM 294 CE LYS A 21 7.082 3.764 -4.983 1.00 2.27 C ATOM 295 NZ LYS A 21 7.741 2.841 -5.949 1.00 3.16 N ATOM 0 H LYS A 21 5.942 2.393 -1.112 1.00 0.45 H new ATOM 0 HA LYS A 21 3.352 3.171 -2.332 1.00 0.44 H new ATOM 0 HB2 LYS A 21 5.314 0.890 -2.732 1.00 0.51 H new ATOM 0 HB3 LYS A 21 3.741 0.929 -3.505 1.00 0.51 H new ATOM 0 HG2 LYS A 21 5.131 1.924 -5.140 1.00 1.45 H new ATOM 0 HG3 LYS A 21 4.434 3.321 -4.343 1.00 1.45 H new ATOM 0 HD2 LYS A 21 6.456 3.571 -2.923 1.00 1.74 H new ATOM 0 HD3 LYS A 21 7.145 2.107 -3.597 1.00 1.74 H new ATOM 0 HE2 LYS A 21 6.292 4.326 -5.481 1.00 2.27 H new ATOM 0 HE3 LYS A 21 7.803 4.491 -4.609 1.00 2.27 H new ATOM 0 HZ1 LYS A 21 8.062 3.379 -6.779 1.00 3.16 H new ATOM 0 HZ2 LYS A 21 8.558 2.387 -5.493 1.00 3.16 H new ATOM 0 HZ3 LYS A 21 7.063 2.112 -6.250 1.00 3.16 H new ATOM 309 N CYS A 22 1.886 1.492 -1.114 1.00 0.39 N ATOM 310 CA CYS A 22 1.048 0.665 -0.208 1.00 0.38 C ATOM 311 C CYS A 22 0.029 -0.139 -1.010 1.00 0.36 C ATOM 312 O CYS A 22 -0.563 0.361 -1.935 1.00 0.39 O ATOM 313 CB CYS A 22 0.290 1.634 0.714 1.00 0.46 C ATOM 314 SG CYS A 22 0.756 3.336 0.273 1.00 0.78 S ATOM 0 H CYS A 22 1.369 2.053 -1.791 1.00 0.39 H new ATOM 0 HA CYS A 22 1.674 -0.028 0.354 1.00 0.38 H new ATOM 0 HB2 CYS A 22 -0.786 1.496 0.606 1.00 0.46 H new ATOM 0 HB3 CYS A 22 0.534 1.433 1.757 1.00 0.46 H new ATOM 319 N VAL A 23 -0.218 -1.367 -0.635 1.00 0.34 N ATOM 320 CA VAL A 23 -1.242 -2.170 -1.350 1.00 0.35 C ATOM 321 C VAL A 23 -2.451 -2.161 -0.424 1.00 0.37 C ATOM 322 O VAL A 23 -2.302 -2.283 0.768 1.00 0.39 O ATOM 323 CB VAL A 23 -0.719 -3.593 -1.552 1.00 0.39 C ATOM 324 CG1 VAL A 23 -1.704 -4.407 -2.404 1.00 0.43 C ATOM 325 CG2 VAL A 23 0.639 -3.513 -2.252 1.00 0.41 C ATOM 0 H VAL A 23 0.248 -1.845 0.136 1.00 0.34 H new ATOM 0 HA VAL A 23 -1.487 -1.775 -2.336 1.00 0.35 H new ATOM 0 HB VAL A 23 -0.614 -4.089 -0.587 1.00 0.39 H new ATOM 0 HG11 VAL A 23 -1.319 -5.418 -2.540 1.00 0.43 H new ATOM 0 HG12 VAL A 23 -2.670 -4.451 -1.901 1.00 0.43 H new ATOM 0 HG13 VAL A 23 -1.823 -3.931 -3.377 1.00 0.43 H new ATOM 0 HG21 VAL A 23 1.029 -4.519 -2.405 1.00 0.41 H new ATOM 0 HG22 VAL A 23 0.523 -3.018 -3.216 1.00 0.41 H new ATOM 0 HG23 VAL A 23 1.334 -2.945 -1.634 1.00 0.41 H new ATOM 335 N ILE A 24 -3.631 -1.952 -0.945 1.00 0.37 N ATOM 336 CA ILE A 24 -4.822 -1.849 -0.042 1.00 0.41 C ATOM 337 C ILE A 24 -5.638 -3.130 -0.076 1.00 0.41 C ATOM 338 O ILE A 24 -6.012 -3.602 -1.128 1.00 0.41 O ATOM 339 CB ILE A 24 -5.707 -0.698 -0.535 1.00 0.44 C ATOM 340 CG1 ILE A 24 -4.882 0.589 -0.590 1.00 0.45 C ATOM 341 CG2 ILE A 24 -6.876 -0.504 0.433 1.00 0.48 C ATOM 342 CD1 ILE A 24 -5.714 1.711 -1.215 1.00 0.51 C ATOM 0 H ILE A 24 -3.824 -1.849 -1.941 1.00 0.37 H new ATOM 0 HA ILE A 24 -4.478 -1.675 0.978 1.00 0.41 H new ATOM 0 HB ILE A 24 -6.088 -0.933 -1.529 1.00 0.44 H new ATOM 0 HG12 ILE A 24 -4.567 0.873 0.414 1.00 0.45 H new ATOM 0 HG13 ILE A 24 -3.976 0.427 -1.174 1.00 0.45 H new ATOM 0 HG21 ILE A 24 -7.506 0.314 0.084 1.00 0.48 H new ATOM 0 HG22 ILE A 24 -7.465 -1.420 0.481 1.00 0.48 H new ATOM 0 HG23 ILE A 24 -6.491 -0.267 1.425 1.00 0.48 H new ATOM 0 HD11 ILE A 24 -5.122 2.626 -1.252 1.00 0.51 H new ATOM 0 HD12 ILE A 24 -6.007 1.427 -2.226 1.00 0.51 H new ATOM 0 HD13 ILE A 24 -6.607 1.881 -0.613 1.00 0.51 H new ATOM 354 N VAL A 25 -6.000 -3.642 1.083 1.00 0.44 N ATOM 355 CA VAL A 25 -6.880 -4.840 1.083 1.00 0.45 C ATOM 356 C VAL A 25 -7.759 -4.901 2.347 1.00 0.65 C ATOM 357 O VAL A 25 -7.615 -5.796 3.149 1.00 1.30 O ATOM 358 CB VAL A 25 -5.939 -6.062 1.077 1.00 0.65 C ATOM 359 CG1 VAL A 25 -5.773 -6.628 -0.331 1.00 1.10 C ATOM 360 CG2 VAL A 25 -4.568 -5.635 1.602 1.00 0.68 C ATOM 0 H VAL A 25 -5.728 -3.287 2.000 1.00 0.44 H new ATOM 0 HA VAL A 25 -7.547 -4.813 0.221 1.00 0.45 H new ATOM 0 HB VAL A 25 -6.375 -6.834 1.711 1.00 0.65 H new ATOM 0 HG11 VAL A 25 -5.104 -7.488 -0.301 1.00 1.10 H new ATOM 0 HG12 VAL A 25 -6.745 -6.937 -0.716 1.00 1.10 H new ATOM 0 HG13 VAL A 25 -5.351 -5.863 -0.983 1.00 1.10 H new ATOM 0 HG21 VAL A 25 -3.895 -6.492 1.602 1.00 0.68 H new ATOM 0 HG22 VAL A 25 -4.160 -4.853 0.961 1.00 0.68 H new ATOM 0 HG23 VAL A 25 -4.670 -5.254 2.618 1.00 0.68 H new ATOM 370 N ASP A 26 -8.758 -4.054 2.463 1.00 0.41 N ATOM 371 CA ASP A 26 -9.732 -4.175 3.604 1.00 0.53 C ATOM 372 C ASP A 26 -10.640 -2.954 3.661 1.00 0.43 C ATOM 373 O ASP A 26 -10.166 -1.841 3.493 1.00 0.45 O ATOM 374 CB ASP A 26 -9.056 -4.255 4.964 1.00 0.76 C ATOM 375 CG ASP A 26 -10.092 -4.671 6.009 1.00 0.99 C ATOM 376 OD1 ASP A 26 -11.231 -4.889 5.631 1.00 1.48 O ATOM 377 OD2 ASP A 26 -9.726 -4.783 7.166 1.00 1.56 O ATOM 0 H ASP A 26 -8.942 -3.285 1.819 1.00 0.41 H new ATOM 0 HA ASP A 26 -10.282 -5.096 3.411 1.00 0.53 H new ATOM 0 HB2 ASP A 26 -8.238 -4.975 4.937 1.00 0.76 H new ATOM 0 HB3 ASP A 26 -8.622 -3.290 5.227 1.00 0.76 H new ATOM 382 N ILE A 27 -11.866 -3.129 4.078 1.00 0.57 N ATOM 383 CA ILE A 27 -12.756 -1.959 4.349 1.00 0.65 C ATOM 384 C ILE A 27 -13.130 -2.101 5.829 1.00 0.63 C ATOM 385 O ILE A 27 -13.546 -3.171 6.230 1.00 0.79 O ATOM 386 CB ILE A 27 -14.014 -2.024 3.479 1.00 0.94 C ATOM 387 CG1 ILE A 27 -13.614 -2.081 2.004 1.00 1.59 C ATOM 388 CG2 ILE A 27 -14.868 -0.781 3.729 1.00 1.36 C ATOM 389 CD1 ILE A 27 -14.864 -2.272 1.144 1.00 1.80 C ATOM 0 H ILE A 27 -12.294 -4.040 4.244 1.00 0.57 H new ATOM 0 HA ILE A 27 -12.269 -1.009 4.126 1.00 0.65 H new ATOM 0 HB ILE A 27 -14.586 -2.916 3.733 1.00 0.94 H new ATOM 0 HG12 ILE A 27 -13.101 -1.162 1.720 1.00 1.59 H new ATOM 0 HG13 ILE A 27 -12.916 -2.901 1.837 1.00 1.59 H new ATOM 0 HG21 ILE A 27 -15.764 -0.825 3.110 1.00 1.36 H new ATOM 0 HG22 ILE A 27 -15.154 -0.741 4.780 1.00 1.36 H new ATOM 0 HG23 ILE A 27 -14.295 0.111 3.475 1.00 1.36 H new ATOM 0 HD11 ILE A 27 -14.580 -2.313 0.093 1.00 1.80 H new ATOM 0 HD12 ILE A 27 -15.358 -3.203 1.422 1.00 1.80 H new ATOM 0 HD13 ILE A 27 -15.546 -1.437 1.303 1.00 1.80 H new ATOM 401 N ILE A 28 -12.968 -1.105 6.674 1.00 0.57 N ATOM 402 CA ILE A 28 -13.301 -1.331 8.120 1.00 0.58 C ATOM 403 C ILE A 28 -14.682 -0.751 8.464 1.00 0.66 C ATOM 404 O ILE A 28 -15.700 -1.295 8.084 1.00 0.71 O ATOM 405 CB ILE A 28 -12.246 -0.603 8.948 1.00 0.57 C ATOM 406 CG1 ILE A 28 -10.838 -0.982 8.485 1.00 0.68 C ATOM 407 CG2 ILE A 28 -12.378 -0.937 10.430 1.00 0.61 C ATOM 408 CD1 ILE A 28 -10.713 -2.490 8.337 1.00 0.77 C ATOM 0 H ILE A 28 -12.630 -0.173 6.435 1.00 0.57 H new ATOM 0 HA ILE A 28 -13.317 -2.401 8.330 1.00 0.58 H new ATOM 0 HB ILE A 28 -12.407 0.465 8.805 1.00 0.57 H new ATOM 0 HG12 ILE A 28 -10.619 -0.498 7.533 1.00 0.68 H new ATOM 0 HG13 ILE A 28 -10.103 -0.619 9.203 1.00 0.68 H new ATOM 0 HG21 ILE A 28 -11.612 -0.403 10.993 1.00 0.61 H new ATOM 0 HG22 ILE A 28 -13.364 -0.637 10.784 1.00 0.61 H new ATOM 0 HG23 ILE A 28 -12.252 -2.010 10.574 1.00 0.61 H new ATOM 0 HD11 ILE A 28 -9.705 -2.741 8.007 1.00 0.77 H new ATOM 0 HD12 ILE A 28 -10.910 -2.967 9.297 1.00 0.77 H new ATOM 0 HD13 ILE A 28 -11.434 -2.844 7.601 1.00 0.77 H new ATOM 420 N ASP A 29 -14.728 0.374 9.149 1.00 1.01 N ATOM 421 CA ASP A 29 -16.044 0.988 9.462 1.00 1.18 C ATOM 422 C ASP A 29 -16.726 1.402 8.165 1.00 1.33 C ATOM 423 O ASP A 29 -17.901 1.182 7.981 1.00 2.10 O ATOM 424 CB ASP A 29 -15.839 2.219 10.347 1.00 1.03 C ATOM 425 CG ASP A 29 -17.195 2.720 10.849 1.00 1.72 C ATOM 426 OD1 ASP A 29 -18.184 2.056 10.585 1.00 2.40 O ATOM 427 OD2 ASP A 29 -17.221 3.760 11.487 1.00 2.26 O ATOM 0 H ASP A 29 -13.914 0.881 9.497 1.00 1.01 H new ATOM 0 HA ASP A 29 -16.667 0.266 9.989 1.00 1.18 H new ATOM 0 HB2 ASP A 29 -15.196 1.970 11.191 1.00 1.03 H new ATOM 0 HB3 ASP A 29 -15.335 3.005 9.784 1.00 1.03 H new ATOM 432 N ASP A 30 -15.952 1.978 7.263 1.00 1.29 N ATOM 433 CA ASP A 30 -16.429 2.430 5.935 1.00 1.39 C ATOM 434 C ASP A 30 -15.387 3.399 5.319 1.00 1.13 C ATOM 435 O ASP A 30 -15.031 3.281 4.163 1.00 1.20 O ATOM 436 CB ASP A 30 -17.807 3.101 6.010 1.00 1.64 C ATOM 437 CG ASP A 30 -17.812 4.324 6.940 1.00 1.90 C ATOM 438 OD1 ASP A 30 -16.756 4.750 7.358 1.00 2.55 O ATOM 439 OD2 ASP A 30 -18.896 4.793 7.248 1.00 2.09 O ATOM 0 H ASP A 30 -14.959 2.155 7.418 1.00 1.29 H new ATOM 0 HA ASP A 30 -16.540 1.552 5.299 1.00 1.39 H new ATOM 0 HB2 ASP A 30 -18.114 3.407 5.010 1.00 1.64 H new ATOM 0 HB3 ASP A 30 -18.542 2.377 6.362 1.00 1.64 H new ATOM 444 N ASN A 31 -14.893 4.351 6.088 1.00 0.91 N ATOM 445 CA ASN A 31 -13.876 5.322 5.561 1.00 0.77 C ATOM 446 C ASN A 31 -12.443 4.883 5.907 1.00 0.58 C ATOM 447 O ASN A 31 -11.493 5.596 5.639 1.00 0.53 O ATOM 448 CB ASN A 31 -14.138 6.700 6.169 1.00 0.86 C ATOM 449 CG ASN A 31 -15.520 7.193 5.735 1.00 1.29 C ATOM 450 OD1 ASN A 31 -16.082 6.696 4.780 1.00 2.10 O ATOM 451 ND2 ASN A 31 -16.094 8.157 6.401 1.00 1.60 N ATOM 0 H ASN A 31 -15.154 4.495 7.063 1.00 0.91 H new ATOM 0 HA ASN A 31 -13.969 5.356 4.475 1.00 0.77 H new ATOM 0 HB2 ASN A 31 -14.084 6.646 7.256 1.00 0.86 H new ATOM 0 HB3 ASN A 31 -13.371 7.404 5.846 1.00 0.86 H new ATOM 0 HD21 ASN A 31 -17.015 8.493 6.120 1.00 1.60 H new ATOM 0 HD22 ASN A 31 -15.622 8.574 7.203 1.00 1.60 H new ATOM 458 N PHE A 32 -12.282 3.732 6.501 1.00 0.56 N ATOM 459 CA PHE A 32 -10.915 3.238 6.875 1.00 0.45 C ATOM 460 C PHE A 32 -10.549 2.017 6.026 1.00 0.45 C ATOM 461 O PHE A 32 -11.378 1.175 5.746 1.00 0.52 O ATOM 462 CB PHE A 32 -10.916 2.875 8.362 1.00 0.48 C ATOM 463 CG PHE A 32 -11.114 4.106 9.213 1.00 0.54 C ATOM 464 CD1 PHE A 32 -10.009 4.853 9.637 1.00 1.52 C ATOM 465 CD2 PHE A 32 -12.404 4.483 9.601 1.00 1.09 C ATOM 466 CE1 PHE A 32 -10.196 5.982 10.446 1.00 1.60 C ATOM 467 CE2 PHE A 32 -12.592 5.610 10.409 1.00 1.13 C ATOM 468 CZ PHE A 32 -11.488 6.359 10.832 1.00 0.80 C ATOM 0 H PHE A 32 -13.045 3.102 6.748 1.00 0.56 H new ATOM 0 HA PHE A 32 -10.174 4.015 6.690 1.00 0.45 H new ATOM 0 HB2 PHE A 32 -11.709 2.155 8.565 1.00 0.48 H new ATOM 0 HB3 PHE A 32 -9.974 2.393 8.624 1.00 0.48 H new ATOM 0 HD1 PHE A 32 -9.013 4.560 9.341 1.00 1.52 H new ATOM 0 HD2 PHE A 32 -13.256 3.904 9.277 1.00 1.09 H new ATOM 0 HE1 PHE A 32 -9.344 6.561 10.771 1.00 1.60 H new ATOM 0 HE2 PHE A 32 -13.589 5.902 10.706 1.00 1.13 H new ATOM 0 HZ PHE A 32 -11.633 7.228 11.456 1.00 0.80 H new ATOM 478 N VAL A 33 -9.309 1.930 5.614 1.00 0.40 N ATOM 479 CA VAL A 33 -8.860 0.778 4.773 1.00 0.42 C ATOM 480 C VAL A 33 -7.583 0.165 5.363 1.00 0.39 C ATOM 481 O VAL A 33 -6.870 0.813 6.098 1.00 0.36 O ATOM 482 CB VAL A 33 -8.594 1.252 3.346 1.00 0.44 C ATOM 483 CG1 VAL A 33 -9.850 1.923 2.788 1.00 0.49 C ATOM 484 CG2 VAL A 33 -7.434 2.251 3.343 1.00 0.42 C ATOM 0 H VAL A 33 -8.582 2.614 5.826 1.00 0.40 H new ATOM 0 HA VAL A 33 -9.644 0.021 4.759 1.00 0.42 H new ATOM 0 HB VAL A 33 -8.333 0.396 2.724 1.00 0.44 H new ATOM 0 HG11 VAL A 33 -9.660 2.261 1.769 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -10.673 1.209 2.785 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.113 2.778 3.411 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -7.246 2.588 2.323 1.00 0.42 H new ATOM 0 HG22 VAL A 33 -7.690 3.108 3.967 1.00 0.42 H new ATOM 0 HG23 VAL A 33 -6.539 1.770 3.737 1.00 0.42 H new ATOM 494 N LEU A 34 -7.264 -1.056 4.992 1.00 0.43 N ATOM 495 CA LEU A 34 -5.980 -1.682 5.494 1.00 0.44 C ATOM 496 C LEU A 34 -4.924 -1.589 4.389 1.00 0.43 C ATOM 497 O LEU A 34 -5.198 -1.926 3.254 1.00 0.47 O ATOM 498 CB LEU A 34 -6.179 -3.164 5.857 1.00 0.55 C ATOM 499 CG LEU A 34 -4.937 -3.711 6.587 1.00 0.62 C ATOM 500 CD1 LEU A 34 -5.349 -4.915 7.436 1.00 0.93 C ATOM 501 CD2 LEU A 34 -3.843 -4.144 5.592 1.00 0.73 C ATOM 0 H LEU A 34 -7.823 -1.643 4.373 1.00 0.43 H new ATOM 0 HA LEU A 34 -5.665 -1.146 6.389 1.00 0.44 H new ATOM 0 HB2 LEU A 34 -7.059 -3.275 6.491 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -6.362 -3.745 4.953 1.00 0.55 H new ATOM 0 HG LEU A 34 -4.531 -2.918 7.215 1.00 0.62 H new ATOM 0 HD11 LEU A 34 -4.476 -5.309 7.957 1.00 0.93 H new ATOM 0 HD12 LEU A 34 -6.098 -4.607 8.165 1.00 0.93 H new ATOM 0 HD13 LEU A 34 -5.767 -5.689 6.792 1.00 0.93 H new ATOM 0 HD21 LEU A 34 -2.982 -4.525 6.141 1.00 0.73 H new ATOM 0 HD22 LEU A 34 -4.233 -4.926 4.941 1.00 0.73 H new ATOM 0 HD23 LEU A 34 -3.540 -3.288 4.989 1.00 0.73 H new ATOM 513 N VAL A 35 -3.717 -1.149 4.700 1.00 0.42 N ATOM 514 CA VAL A 35 -2.670 -1.065 3.630 1.00 0.43 C ATOM 515 C VAL A 35 -1.386 -1.782 4.074 1.00 0.44 C ATOM 516 O VAL A 35 -1.067 -1.831 5.243 1.00 0.46 O ATOM 517 CB VAL A 35 -2.354 0.408 3.328 1.00 0.47 C ATOM 518 CG1 VAL A 35 -3.649 1.146 2.991 1.00 0.46 C ATOM 519 CG2 VAL A 35 -1.688 1.081 4.533 1.00 0.52 C ATOM 0 H VAL A 35 -3.421 -0.852 5.630 1.00 0.42 H new ATOM 0 HA VAL A 35 -3.052 -1.551 2.732 1.00 0.43 H new ATOM 0 HB VAL A 35 -1.668 0.449 2.482 1.00 0.47 H new ATOM 0 HG11 VAL A 35 -3.427 2.191 2.776 1.00 0.46 H new ATOM 0 HG12 VAL A 35 -4.113 0.687 2.118 1.00 0.46 H new ATOM 0 HG13 VAL A 35 -4.332 1.087 3.838 1.00 0.46 H new ATOM 0 HG21 VAL A 35 -1.474 2.123 4.295 1.00 0.52 H new ATOM 0 HG22 VAL A 35 -2.358 1.035 5.392 1.00 0.52 H new ATOM 0 HG23 VAL A 35 -0.758 0.564 4.770 1.00 0.52 H new ATOM 529 N THR A 36 -0.624 -2.300 3.136 1.00 0.45 N ATOM 530 CA THR A 36 0.667 -2.961 3.512 1.00 0.48 C ATOM 531 C THR A 36 1.735 -2.745 2.429 1.00 0.48 C ATOM 532 O THR A 36 1.431 -2.612 1.260 1.00 0.48 O ATOM 533 CB THR A 36 0.429 -4.462 3.698 1.00 0.56 C ATOM 534 OG1 THR A 36 1.530 -5.030 4.395 1.00 0.63 O ATOM 535 CG2 THR A 36 0.285 -5.132 2.332 1.00 0.60 C ATOM 0 H THR A 36 -0.838 -2.294 2.139 1.00 0.45 H new ATOM 0 HA THR A 36 1.025 -2.517 4.441 1.00 0.48 H new ATOM 0 HB THR A 36 -0.485 -4.618 4.272 1.00 0.56 H new ATOM 0 HG1 THR A 36 1.714 -4.503 5.201 1.00 0.63 H new ATOM 0 HG21 THR A 36 0.116 -6.200 2.467 1.00 0.60 H new ATOM 0 HG22 THR A 36 -0.560 -4.695 1.800 1.00 0.60 H new ATOM 0 HG23 THR A 36 1.196 -4.979 1.754 1.00 0.60 H new ATOM 543 N GLY A 37 2.989 -2.756 2.809 1.00 0.52 N ATOM 544 CA GLY A 37 4.089 -2.603 1.804 1.00 0.55 C ATOM 545 C GLY A 37 5.409 -3.023 2.454 1.00 0.70 C ATOM 546 O GLY A 37 5.555 -2.929 3.644 1.00 0.84 O ATOM 0 H GLY A 37 3.300 -2.865 3.774 1.00 0.52 H new ATOM 0 HA2 GLY A 37 3.887 -3.218 0.927 1.00 0.55 H new ATOM 0 HA3 GLY A 37 4.148 -1.570 1.463 1.00 0.55 H new ATOM 550 N PRO A 38 6.389 -3.456 1.715 1.00 0.74 N ATOM 551 CA PRO A 38 7.680 -3.804 2.343 1.00 0.93 C ATOM 552 C PRO A 38 8.240 -2.596 3.097 1.00 0.99 C ATOM 553 O PRO A 38 8.694 -1.640 2.508 1.00 0.94 O ATOM 554 CB PRO A 38 8.607 -4.168 1.182 1.00 0.94 C ATOM 555 CG PRO A 38 7.800 -4.082 -0.072 1.00 0.82 C ATOM 556 CD PRO A 38 6.369 -3.680 0.278 1.00 0.69 C ATOM 0 HA PRO A 38 7.578 -4.619 3.059 1.00 0.93 H new ATOM 0 HB2 PRO A 38 9.457 -3.487 1.140 1.00 0.94 H new ATOM 0 HB3 PRO A 38 9.010 -5.172 1.312 1.00 0.94 H new ATOM 0 HG2 PRO A 38 8.239 -3.352 -0.752 1.00 0.82 H new ATOM 0 HG3 PRO A 38 7.805 -5.042 -0.588 1.00 0.82 H new ATOM 0 HD2 PRO A 38 6.068 -2.780 -0.259 1.00 0.69 H new ATOM 0 HD3 PRO A 38 5.661 -4.464 0.009 1.00 0.69 H new ATOM 564 N LYS A 39 8.240 -2.644 4.395 1.00 1.20 N ATOM 565 CA LYS A 39 8.786 -1.507 5.185 1.00 1.37 C ATOM 566 C LYS A 39 10.218 -1.245 4.769 1.00 1.39 C ATOM 567 O LYS A 39 10.703 -0.132 4.797 1.00 1.45 O ATOM 568 CB LYS A 39 8.796 -1.853 6.674 1.00 1.66 C ATOM 569 CG LYS A 39 9.267 -0.635 7.484 1.00 2.17 C ATOM 570 CD LYS A 39 9.359 -1.004 8.961 1.00 2.45 C ATOM 571 CE LYS A 39 9.676 0.246 9.784 1.00 3.15 C ATOM 572 NZ LYS A 39 8.406 0.928 10.162 1.00 3.44 N ATOM 0 H LYS A 39 7.884 -3.424 4.948 1.00 1.20 H new ATOM 0 HA LYS A 39 8.160 -0.633 5.005 1.00 1.37 H new ATOM 0 HB2 LYS A 39 7.798 -2.152 6.995 1.00 1.66 H new ATOM 0 HB3 LYS A 39 9.456 -2.701 6.856 1.00 1.66 H new ATOM 0 HG2 LYS A 39 10.239 -0.299 7.122 1.00 2.17 H new ATOM 0 HG3 LYS A 39 8.573 0.194 7.349 1.00 2.17 H new ATOM 0 HD2 LYS A 39 8.419 -1.443 9.296 1.00 2.45 H new ATOM 0 HD3 LYS A 39 10.134 -1.756 9.111 1.00 2.45 H new ATOM 0 HE2 LYS A 39 10.235 -0.027 10.679 1.00 3.15 H new ATOM 0 HE3 LYS A 39 10.307 0.923 9.208 1.00 3.15 H new ATOM 0 HZ1 LYS A 39 8.437 1.918 9.846 1.00 3.44 H new ATOM 0 HZ2 LYS A 39 7.604 0.445 9.709 1.00 3.44 H new ATOM 0 HZ3 LYS A 39 8.290 0.897 11.195 1.00 3.44 H new ATOM 586 N ASP A 40 10.923 -2.281 4.475 1.00 1.42 N ATOM 587 CA ASP A 40 12.353 -2.112 4.162 1.00 1.48 C ATOM 588 C ASP A 40 12.512 -1.119 3.029 1.00 1.35 C ATOM 589 O ASP A 40 13.412 -0.303 3.058 1.00 1.42 O ATOM 590 CB ASP A 40 12.947 -3.459 3.746 1.00 1.59 C ATOM 591 CG ASP A 40 12.961 -4.406 4.947 1.00 1.79 C ATOM 592 OD1 ASP A 40 12.741 -3.934 6.051 1.00 2.01 O ATOM 593 OD2 ASP A 40 13.192 -5.585 4.742 1.00 2.27 O ATOM 0 H ASP A 40 10.574 -3.239 4.437 1.00 1.42 H new ATOM 0 HA ASP A 40 12.874 -1.741 5.044 1.00 1.48 H new ATOM 0 HB2 ASP A 40 12.361 -3.892 2.936 1.00 1.59 H new ATOM 0 HB3 ASP A 40 13.960 -3.320 3.368 1.00 1.59 H new ATOM 598 N ILE A 41 11.645 -1.141 2.046 1.00 1.20 N ATOM 599 CA ILE A 41 11.774 -0.151 0.941 1.00 1.13 C ATOM 600 C ILE A 41 10.592 0.818 0.915 1.00 1.03 C ATOM 601 O ILE A 41 10.754 1.996 0.668 1.00 1.27 O ATOM 602 CB ILE A 41 11.792 -0.890 -0.383 1.00 1.10 C ATOM 603 CG1 ILE A 41 12.907 -1.959 -0.410 1.00 1.29 C ATOM 604 CG2 ILE A 41 12.004 0.114 -1.510 1.00 1.11 C ATOM 605 CD1 ILE A 41 14.235 -1.382 0.076 1.00 2.05 C ATOM 0 H ILE A 41 10.865 -1.793 1.964 1.00 1.20 H new ATOM 0 HA ILE A 41 12.694 0.411 1.102 1.00 1.13 H new ATOM 0 HB ILE A 41 10.838 -1.400 -0.514 1.00 1.10 H new ATOM 0 HG12 ILE A 41 12.622 -2.802 0.219 1.00 1.29 H new ATOM 0 HG13 ILE A 41 13.023 -2.342 -1.424 1.00 1.29 H new ATOM 0 HG21 ILE A 41 12.018 -0.410 -2.466 1.00 1.11 H new ATOM 0 HG22 ILE A 41 11.192 0.841 -1.507 1.00 1.11 H new ATOM 0 HG23 ILE A 41 12.953 0.629 -1.364 1.00 1.11 H new ATOM 0 HD11 ILE A 41 15.001 -2.157 0.046 1.00 2.05 H new ATOM 0 HD12 ILE A 41 14.530 -0.555 -0.569 1.00 2.05 H new ATOM 0 HD13 ILE A 41 14.123 -1.022 1.099 1.00 2.05 H new ATOM 617 N THR A 42 9.403 0.344 1.176 1.00 0.78 N ATOM 618 CA THR A 42 8.241 1.270 1.163 1.00 0.75 C ATOM 619 C THR A 42 8.160 2.032 2.489 1.00 0.90 C ATOM 620 O THR A 42 7.805 3.190 2.549 1.00 1.07 O ATOM 621 CB THR A 42 6.968 0.458 0.936 1.00 0.56 C ATOM 622 OG1 THR A 42 6.785 -0.472 1.992 1.00 1.03 O ATOM 623 CG2 THR A 42 7.063 -0.260 -0.407 1.00 1.10 C ATOM 0 H THR A 42 9.191 -0.629 1.394 1.00 0.78 H new ATOM 0 HA THR A 42 8.357 1.998 0.360 1.00 0.75 H new ATOM 0 HB THR A 42 6.106 1.125 0.922 1.00 0.56 H new ATOM 0 HG1 THR A 42 7.634 -0.604 2.462 1.00 1.03 H new ATOM 0 HG21 THR A 42 6.156 -0.841 -0.574 1.00 1.10 H new ATOM 0 HG22 THR A 42 7.175 0.474 -1.205 1.00 1.10 H new ATOM 0 HG23 THR A 42 7.926 -0.926 -0.403 1.00 1.10 H new ATOM 631 N GLY A 43 8.539 1.380 3.542 1.00 0.93 N ATOM 632 CA GLY A 43 8.534 2.027 4.891 1.00 1.12 C ATOM 633 C GLY A 43 7.244 1.689 5.671 1.00 0.97 C ATOM 634 O GLY A 43 7.157 1.953 6.854 1.00 1.10 O ATOM 0 H GLY A 43 8.858 0.411 3.534 1.00 0.93 H new ATOM 0 HA2 GLY A 43 9.403 1.695 5.459 1.00 1.12 H new ATOM 0 HA3 GLY A 43 8.621 3.108 4.779 1.00 1.12 H new ATOM 638 N VAL A 44 6.233 1.135 5.034 1.00 0.78 N ATOM 639 CA VAL A 44 4.965 0.819 5.760 1.00 0.70 C ATOM 640 C VAL A 44 4.891 -0.685 6.047 1.00 0.72 C ATOM 641 O VAL A 44 5.097 -1.474 5.170 1.00 0.80 O ATOM 642 CB VAL A 44 3.799 1.207 4.828 1.00 0.61 C ATOM 643 CG1 VAL A 44 3.718 2.730 4.715 1.00 0.79 C ATOM 644 CG2 VAL A 44 4.035 0.631 3.422 1.00 1.06 C ATOM 0 H VAL A 44 6.236 0.890 4.044 1.00 0.78 H new ATOM 0 HA VAL A 44 4.919 1.361 6.704 1.00 0.70 H new ATOM 0 HB VAL A 44 2.874 0.808 5.243 1.00 0.61 H new ATOM 0 HG11 VAL A 44 2.894 3.003 4.056 1.00 0.79 H new ATOM 0 HG12 VAL A 44 3.551 3.160 5.703 1.00 0.79 H new ATOM 0 HG13 VAL A 44 4.652 3.115 4.306 1.00 0.79 H new ATOM 0 HG21 VAL A 44 3.207 0.910 2.771 1.00 1.06 H new ATOM 0 HG22 VAL A 44 4.965 1.030 3.017 1.00 1.06 H new ATOM 0 HG23 VAL A 44 4.101 -0.455 3.480 1.00 1.06 H new ATOM 654 N LYS A 45 4.556 -1.112 7.244 1.00 0.80 N ATOM 655 CA LYS A 45 4.446 -2.595 7.447 1.00 0.91 C ATOM 656 C LYS A 45 3.036 -2.996 7.039 1.00 0.78 C ATOM 657 O LYS A 45 2.773 -3.448 5.938 1.00 0.83 O ATOM 658 CB LYS A 45 4.623 -2.963 8.933 1.00 1.14 C ATOM 659 CG LYS A 45 6.021 -2.619 9.435 1.00 1.87 C ATOM 660 CD LYS A 45 6.157 -3.126 10.877 1.00 2.04 C ATOM 661 CE LYS A 45 7.504 -2.704 11.470 1.00 2.84 C ATOM 662 NZ LYS A 45 7.591 -1.218 11.509 1.00 3.49 N ATOM 0 H LYS A 45 4.361 -0.528 8.057 1.00 0.80 H new ATOM 0 HA LYS A 45 5.215 -3.101 6.863 1.00 0.91 H new ATOM 0 HB2 LYS A 45 3.881 -2.433 9.530 1.00 1.14 H new ATOM 0 HB3 LYS A 45 4.439 -4.029 9.069 1.00 1.14 H new ATOM 0 HG2 LYS A 45 6.776 -3.080 8.798 1.00 1.87 H new ATOM 0 HG3 LYS A 45 6.184 -1.542 9.395 1.00 1.87 H new ATOM 0 HD2 LYS A 45 5.345 -2.729 11.486 1.00 2.04 H new ATOM 0 HD3 LYS A 45 6.069 -4.212 10.896 1.00 2.04 H new ATOM 0 HE2 LYS A 45 7.613 -3.111 12.475 1.00 2.84 H new ATOM 0 HE3 LYS A 45 8.319 -3.110 10.871 1.00 2.84 H new ATOM 0 HZ1 LYS A 45 8.580 -0.925 11.377 1.00 3.49 H new ATOM 0 HZ2 LYS A 45 7.006 -0.816 10.749 1.00 3.49 H new ATOM 0 HZ3 LYS A 45 7.248 -0.874 12.429 1.00 3.49 H new ATOM 676 N ARG A 46 2.129 -2.733 7.932 1.00 0.67 N ATOM 677 CA ARG A 46 0.699 -2.958 7.714 1.00 0.59 C ATOM 678 C ARG A 46 0.008 -1.897 8.554 1.00 0.54 C ATOM 679 O ARG A 46 0.269 -1.805 9.738 1.00 0.59 O ATOM 680 CB ARG A 46 0.343 -4.334 8.247 1.00 0.62 C ATOM 681 CG ARG A 46 -1.113 -4.626 7.957 1.00 0.62 C ATOM 682 CD ARG A 46 -1.443 -6.008 8.491 1.00 0.73 C ATOM 683 NE ARG A 46 -1.395 -5.991 9.980 1.00 1.39 N ATOM 684 CZ ARG A 46 -2.353 -5.421 10.656 1.00 1.89 C ATOM 685 NH1 ARG A 46 -3.356 -4.867 10.029 1.00 2.10 N ATOM 686 NH2 ARG A 46 -2.310 -5.402 11.960 1.00 2.78 N ATOM 0 H ARG A 46 2.347 -2.350 8.852 1.00 0.67 H new ATOM 0 HA ARG A 46 0.412 -2.904 6.664 1.00 0.59 H new ATOM 0 HB2 ARG A 46 0.976 -5.090 7.783 1.00 0.62 H new ATOM 0 HB3 ARG A 46 0.527 -4.379 9.320 1.00 0.62 H new ATOM 0 HG2 ARG A 46 -1.750 -3.877 8.426 1.00 0.62 H new ATOM 0 HG3 ARG A 46 -1.302 -4.579 6.885 1.00 0.62 H new ATOM 0 HD2 ARG A 46 -2.433 -6.313 8.152 1.00 0.73 H new ATOM 0 HD3 ARG A 46 -0.734 -6.739 8.102 1.00 0.73 H new ATOM 0 HE ARG A 46 -0.613 -6.425 10.470 1.00 1.39 H new ATOM 0 HH11 ARG A 46 -3.390 -4.880 9.010 1.00 2.10 H new ATOM 0 HH12 ARG A 46 -4.105 -4.421 10.559 1.00 2.10 H new ATOM 0 HH21 ARG A 46 -1.527 -5.833 12.451 1.00 2.78 H new ATOM 0 HH22 ARG A 46 -3.060 -4.956 12.489 1.00 2.78 H new ATOM 700 N ARG A 47 -0.838 -1.079 8.016 1.00 0.50 N ATOM 701 CA ARG A 47 -1.466 -0.049 8.875 1.00 0.51 C ATOM 702 C ARG A 47 -2.801 0.385 8.275 1.00 0.43 C ATOM 703 O ARG A 47 -3.112 0.061 7.149 1.00 0.40 O ATOM 704 CB ARG A 47 -0.497 1.129 9.026 1.00 0.65 C ATOM 705 CG ARG A 47 -0.266 1.796 7.670 1.00 0.69 C ATOM 706 CD ARG A 47 0.883 2.799 7.788 1.00 0.88 C ATOM 707 NE ARG A 47 1.029 3.541 6.504 1.00 1.51 N ATOM 708 CZ ARG A 47 0.235 4.539 6.232 1.00 2.07 C ATOM 709 NH1 ARG A 47 -0.691 4.886 7.083 1.00 2.26 N ATOM 710 NH2 ARG A 47 0.366 5.190 5.108 1.00 3.10 N ATOM 0 H ARG A 47 -1.120 -1.075 7.036 1.00 0.50 H new ATOM 0 HA ARG A 47 -1.672 -0.454 9.866 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -0.901 1.854 9.733 1.00 0.65 H new ATOM 0 HB3 ARG A 47 0.451 0.780 9.435 1.00 0.65 H new ATOM 0 HG2 ARG A 47 -0.031 1.044 6.917 1.00 0.69 H new ATOM 0 HG3 ARG A 47 -1.174 2.303 7.342 1.00 0.69 H new ATOM 0 HD2 ARG A 47 0.689 3.496 8.603 1.00 0.88 H new ATOM 0 HD3 ARG A 47 1.811 2.279 8.027 1.00 0.88 H new ATOM 0 HE ARG A 47 1.751 3.268 5.837 1.00 1.51 H new ATOM 0 HH11 ARG A 47 -0.794 4.377 7.961 1.00 2.26 H new ATOM 0 HH12 ARG A 47 -1.312 5.667 6.871 1.00 2.26 H new ATOM 0 HH21 ARG A 47 1.089 4.918 4.442 1.00 3.10 H new ATOM 0 HH22 ARG A 47 -0.255 5.971 4.895 1.00 3.10 H new ATOM 724 N ARG A 48 -3.609 1.078 9.032 1.00 0.46 N ATOM 725 CA ARG A 48 -4.941 1.492 8.504 1.00 0.40 C ATOM 726 C ARG A 48 -4.944 3.006 8.277 1.00 0.40 C ATOM 727 O ARG A 48 -4.377 3.754 9.049 1.00 0.49 O ATOM 728 CB ARG A 48 -5.994 1.125 9.547 1.00 0.44 C ATOM 729 CG ARG A 48 -5.989 -0.393 9.734 1.00 1.30 C ATOM 730 CD ARG A 48 -7.095 -0.802 10.709 1.00 1.32 C ATOM 731 NE ARG A 48 -6.925 -2.235 11.093 1.00 1.71 N ATOM 732 CZ ARG A 48 -7.069 -3.184 10.206 1.00 2.17 C ATOM 733 NH1 ARG A 48 -7.401 -2.895 8.980 1.00 2.17 N ATOM 734 NH2 ARG A 48 -6.893 -4.430 10.555 1.00 3.00 N ATOM 0 H ARG A 48 -3.406 1.374 9.987 1.00 0.46 H new ATOM 0 HA ARG A 48 -5.155 0.992 7.560 1.00 0.40 H new ATOM 0 HB2 ARG A 48 -5.779 1.623 10.492 1.00 0.44 H new ATOM 0 HB3 ARG A 48 -6.979 1.463 9.225 1.00 0.44 H new ATOM 0 HG2 ARG A 48 -6.138 -0.887 8.774 1.00 1.30 H new ATOM 0 HG3 ARG A 48 -5.020 -0.718 10.113 1.00 1.30 H new ATOM 0 HD2 ARG A 48 -7.061 -0.171 11.597 1.00 1.32 H new ATOM 0 HD3 ARG A 48 -8.072 -0.652 10.249 1.00 1.32 H new ATOM 0 HE ARG A 48 -6.694 -2.476 12.057 1.00 1.71 H new ATOM 0 HH11 ARG A 48 -7.550 -1.923 8.708 1.00 2.17 H new ATOM 0 HH12 ARG A 48 -7.512 -3.640 8.292 1.00 2.17 H new ATOM 0 HH21 ARG A 48 -6.644 -4.660 11.517 1.00 3.00 H new ATOM 0 HH22 ARG A 48 -7.005 -5.173 9.866 1.00 3.00 H new ATOM 748 N VAL A 49 -5.568 3.463 7.212 1.00 0.35 N ATOM 749 CA VAL A 49 -5.596 4.932 6.925 1.00 0.41 C ATOM 750 C VAL A 49 -7.014 5.375 6.549 1.00 0.38 C ATOM 751 O VAL A 49 -7.741 4.668 5.878 1.00 0.37 O ATOM 752 CB VAL A 49 -4.646 5.239 5.766 1.00 0.50 C ATOM 753 CG1 VAL A 49 -5.159 4.567 4.491 1.00 1.63 C ATOM 754 CG2 VAL A 49 -4.578 6.752 5.551 1.00 1.04 C ATOM 0 H VAL A 49 -6.057 2.881 6.532 1.00 0.35 H new ATOM 0 HA VAL A 49 -5.282 5.473 7.818 1.00 0.41 H new ATOM 0 HB VAL A 49 -3.652 4.859 6.002 1.00 0.50 H new ATOM 0 HG11 VAL A 49 -4.481 4.787 3.666 1.00 1.63 H new ATOM 0 HG12 VAL A 49 -5.209 3.489 4.643 1.00 1.63 H new ATOM 0 HG13 VAL A 49 -6.153 4.946 4.255 1.00 1.63 H new ATOM 0 HG21 VAL A 49 -3.901 6.972 4.725 1.00 1.04 H new ATOM 0 HG22 VAL A 49 -5.573 7.131 5.316 1.00 1.04 H new ATOM 0 HG23 VAL A 49 -4.212 7.232 6.458 1.00 1.04 H new ATOM 764 N ASN A 50 -7.405 6.546 6.974 1.00 0.39 N ATOM 765 CA ASN A 50 -8.767 7.055 6.643 1.00 0.42 C ATOM 766 C ASN A 50 -8.771 7.774 5.282 1.00 0.42 C ATOM 767 O ASN A 50 -7.739 8.088 4.723 1.00 0.39 O ATOM 768 CB ASN A 50 -9.226 8.011 7.745 1.00 0.48 C ATOM 769 CG ASN A 50 -8.447 9.323 7.662 1.00 1.38 C ATOM 770 OD1 ASN A 50 -8.840 10.341 8.377 1.00 2.28 O flip ATOM 771 ND2 ASN A 50 -7.461 9.417 6.957 1.00 1.90 N flip ATOM 0 H ASN A 50 -6.836 7.176 7.540 1.00 0.39 H new ATOM 0 HA ASN A 50 -9.453 6.211 6.577 1.00 0.42 H new ATOM 0 HB2 ASN A 50 -10.294 8.206 7.646 1.00 0.48 H new ATOM 0 HB3 ASN A 50 -9.076 7.551 8.722 1.00 0.48 H new ATOM 0 HD21 ASN A 50 -7.155 8.620 6.399 1.00 1.90 H new ATOM 0 HD22 ASN A 50 -6.939 10.293 6.924 1.00 1.90 H new ATOM 778 N ILE A 51 -9.943 8.039 4.762 1.00 0.51 N ATOM 779 CA ILE A 51 -10.085 8.747 3.444 1.00 0.56 C ATOM 780 C ILE A 51 -9.424 10.134 3.488 1.00 0.57 C ATOM 781 O ILE A 51 -9.046 10.682 2.471 1.00 0.59 O ATOM 782 CB ILE A 51 -11.569 8.922 3.102 1.00 0.73 C ATOM 783 CG1 ILE A 51 -12.230 7.545 2.972 1.00 0.81 C ATOM 784 CG2 ILE A 51 -11.690 9.684 1.778 1.00 0.81 C ATOM 785 CD1 ILE A 51 -13.743 7.709 2.793 1.00 1.41 C ATOM 0 H ILE A 51 -10.829 7.790 5.202 1.00 0.51 H new ATOM 0 HA ILE A 51 -9.592 8.140 2.685 1.00 0.56 H new ATOM 0 HB ILE A 51 -12.068 9.483 3.892 1.00 0.73 H new ATOM 0 HG12 ILE A 51 -11.810 7.009 2.121 1.00 0.81 H new ATOM 0 HG13 ILE A 51 -12.022 6.947 3.859 1.00 0.81 H new ATOM 0 HG21 ILE A 51 -12.743 9.813 1.527 1.00 0.81 H new ATOM 0 HG22 ILE A 51 -11.218 10.662 1.876 1.00 0.81 H new ATOM 0 HG23 ILE A 51 -11.195 9.120 0.987 1.00 0.81 H new ATOM 0 HD11 ILE A 51 -14.207 6.727 2.701 1.00 1.41 H new ATOM 0 HD12 ILE A 51 -14.158 8.227 3.658 1.00 1.41 H new ATOM 0 HD13 ILE A 51 -13.942 8.290 1.892 1.00 1.41 H new ATOM 797 N LEU A 52 -9.332 10.728 4.643 1.00 0.61 N ATOM 798 CA LEU A 52 -8.761 12.104 4.746 1.00 0.70 C ATOM 799 C LEU A 52 -7.368 12.150 4.120 1.00 0.64 C ATOM 800 O LEU A 52 -7.016 13.134 3.500 1.00 0.75 O ATOM 801 CB LEU A 52 -8.665 12.512 6.218 1.00 0.76 C ATOM 802 CG LEU A 52 -10.045 12.430 6.884 1.00 0.85 C ATOM 803 CD1 LEU A 52 -9.943 12.932 8.324 1.00 1.25 C ATOM 804 CD2 LEU A 52 -11.046 13.307 6.125 1.00 1.08 C ATOM 0 H LEU A 52 -9.629 10.319 5.529 1.00 0.61 H new ATOM 0 HA LEU A 52 -9.415 12.794 4.213 1.00 0.70 H new ATOM 0 HB2 LEU A 52 -7.963 11.860 6.738 1.00 0.76 H new ATOM 0 HB3 LEU A 52 -8.275 13.527 6.297 1.00 0.76 H new ATOM 0 HG LEU A 52 -10.384 11.394 6.870 1.00 0.85 H new ATOM 0 HD11 LEU A 52 -10.922 12.875 8.799 1.00 1.25 H new ATOM 0 HD12 LEU A 52 -9.235 12.313 8.876 1.00 1.25 H new ATOM 0 HD13 LEU A 52 -9.599 13.966 8.325 1.00 1.25 H new ATOM 0 HD21 LEU A 52 -12.023 13.243 6.605 1.00 1.08 H new ATOM 0 HD22 LEU A 52 -10.704 14.342 6.135 1.00 1.08 H new ATOM 0 HD23 LEU A 52 -11.124 12.961 5.094 1.00 1.08 H new ATOM 816 N HIS A 53 -6.603 11.088 4.195 1.00 0.52 N ATOM 817 CA HIS A 53 -5.278 11.098 3.503 1.00 0.55 C ATOM 818 C HIS A 53 -5.270 9.934 2.517 1.00 0.45 C ATOM 819 O HIS A 53 -4.887 8.828 2.848 1.00 0.50 O ATOM 820 CB HIS A 53 -4.161 10.909 4.532 1.00 0.70 C ATOM 821 CG HIS A 53 -4.144 12.079 5.476 1.00 0.84 C ATOM 822 ND1 HIS A 53 -4.857 12.080 6.667 1.00 1.50 N ATOM 823 CD2 HIS A 53 -3.506 13.295 5.419 1.00 1.35 C ATOM 824 CE1 HIS A 53 -4.632 13.261 7.273 1.00 1.35 C ATOM 825 NE2 HIS A 53 -3.817 14.034 6.554 1.00 1.20 N ATOM 0 H HIS A 53 -6.833 10.230 4.696 1.00 0.52 H new ATOM 0 HA HIS A 53 -5.118 12.044 2.985 1.00 0.55 H new ATOM 0 HB2 HIS A 53 -4.316 9.983 5.086 1.00 0.70 H new ATOM 0 HB3 HIS A 53 -3.199 10.821 4.028 1.00 0.70 H new ATOM 0 HD2 HIS A 53 -2.863 13.625 4.617 1.00 1.35 H new ATOM 0 HE1 HIS A 53 -5.058 13.547 8.223 1.00 1.35 H new ATOM 0 HE2 HIS A 53 -3.490 14.971 6.788 1.00 1.20 H new ATOM 834 N LEU A 54 -5.695 10.182 1.308 1.00 0.42 N ATOM 835 CA LEU A 54 -5.733 9.121 0.268 1.00 0.43 C ATOM 836 C LEU A 54 -4.829 9.495 -0.905 1.00 0.36 C ATOM 837 O LEU A 54 -4.945 10.564 -1.470 1.00 0.39 O ATOM 838 CB LEU A 54 -7.176 8.974 -0.217 1.00 0.59 C ATOM 839 CG LEU A 54 -7.294 7.781 -1.171 1.00 0.92 C ATOM 840 CD1 LEU A 54 -7.154 6.468 -0.391 1.00 1.56 C ATOM 841 CD2 LEU A 54 -8.664 7.824 -1.846 1.00 1.29 C ATOM 0 H LEU A 54 -6.024 11.095 0.994 1.00 0.42 H new ATOM 0 HA LEU A 54 -5.377 8.180 0.688 1.00 0.43 H new ATOM 0 HB2 LEU A 54 -7.841 8.835 0.635 1.00 0.59 H new ATOM 0 HB3 LEU A 54 -7.492 9.886 -0.723 1.00 0.59 H new ATOM 0 HG LEU A 54 -6.503 7.835 -1.919 1.00 0.92 H new ATOM 0 HD11 LEU A 54 -7.239 5.626 -1.078 1.00 1.56 H new ATOM 0 HD12 LEU A 54 -6.181 6.439 0.100 1.00 1.56 H new ATOM 0 HD13 LEU A 54 -7.942 6.405 0.360 1.00 1.56 H new ATOM 0 HD21 LEU A 54 -8.760 6.979 -2.528 1.00 1.29 H new ATOM 0 HD22 LEU A 54 -9.445 7.769 -1.088 1.00 1.29 H new ATOM 0 HD23 LEU A 54 -8.765 8.755 -2.404 1.00 1.29 H new ATOM 853 N GLU A 55 -4.008 8.585 -1.335 1.00 0.39 N ATOM 854 CA GLU A 55 -3.172 8.816 -2.543 1.00 0.38 C ATOM 855 C GLU A 55 -3.368 7.561 -3.397 1.00 0.43 C ATOM 856 O GLU A 55 -2.677 6.577 -3.218 1.00 0.50 O ATOM 857 CB GLU A 55 -1.705 8.985 -2.168 1.00 0.44 C ATOM 858 CG GLU A 55 -1.170 10.285 -2.775 1.00 0.85 C ATOM 859 CD GLU A 55 0.346 10.351 -2.581 1.00 1.55 C ATOM 860 OE1 GLU A 55 0.804 9.978 -1.513 1.00 2.20 O ATOM 861 OE2 GLU A 55 1.023 10.772 -3.505 1.00 2.28 O ATOM 0 H GLU A 55 -3.877 7.675 -0.894 1.00 0.39 H new ATOM 0 HA GLU A 55 -3.459 9.726 -3.070 1.00 0.38 H new ATOM 0 HB2 GLU A 55 -1.596 9.005 -1.084 1.00 0.44 H new ATOM 0 HB3 GLU A 55 -1.126 8.136 -2.531 1.00 0.44 H new ATOM 0 HG2 GLU A 55 -1.414 10.331 -3.836 1.00 0.85 H new ATOM 0 HG3 GLU A 55 -1.646 11.143 -2.301 1.00 0.85 H new ATOM 868 N PRO A 56 -4.345 7.542 -4.262 1.00 0.46 N ATOM 869 CA PRO A 56 -4.647 6.335 -5.059 1.00 0.52 C ATOM 870 C PRO A 56 -3.869 6.235 -6.363 1.00 0.50 C ATOM 871 O PRO A 56 -3.529 7.223 -6.985 1.00 0.53 O ATOM 872 CB PRO A 56 -6.137 6.497 -5.351 1.00 0.66 C ATOM 873 CG PRO A 56 -6.375 7.974 -5.402 1.00 0.69 C ATOM 874 CD PRO A 56 -5.266 8.643 -4.588 1.00 0.56 C ATOM 0 HA PRO A 56 -4.372 5.428 -4.521 1.00 0.52 H new ATOM 0 HB2 PRO A 56 -6.406 6.023 -6.295 1.00 0.66 H new ATOM 0 HB3 PRO A 56 -6.742 6.028 -4.575 1.00 0.66 H new ATOM 0 HG2 PRO A 56 -6.363 8.330 -6.432 1.00 0.69 H new ATOM 0 HG3 PRO A 56 -7.354 8.220 -4.991 1.00 0.69 H new ATOM 0 HD2 PRO A 56 -4.766 9.424 -5.161 1.00 0.56 H new ATOM 0 HD3 PRO A 56 -5.661 9.112 -3.687 1.00 0.56 H new ATOM 882 N THR A 57 -3.613 5.026 -6.778 1.00 0.56 N ATOM 883 CA THR A 57 -2.884 4.788 -8.048 1.00 0.63 C ATOM 884 C THR A 57 -3.872 4.196 -9.046 1.00 0.66 C ATOM 885 O THR A 57 -4.967 3.804 -8.695 1.00 0.71 O ATOM 886 CB THR A 57 -1.711 3.825 -7.828 1.00 0.78 C ATOM 887 OG1 THR A 57 -2.209 2.531 -7.518 1.00 0.88 O ATOM 888 CG2 THR A 57 -0.805 4.331 -6.699 1.00 0.78 C ATOM 0 H THR A 57 -3.885 4.179 -6.279 1.00 0.56 H new ATOM 0 HA THR A 57 -2.474 5.725 -8.425 1.00 0.63 H new ATOM 0 HB THR A 57 -1.120 3.772 -8.742 1.00 0.78 H new ATOM 0 HG1 THR A 57 -2.723 2.569 -6.684 1.00 0.88 H new ATOM 0 HG21 THR A 57 0.022 3.635 -6.557 1.00 0.78 H new ATOM 0 HG22 THR A 57 -0.412 5.313 -6.961 1.00 0.78 H new ATOM 0 HG23 THR A 57 -1.380 4.404 -5.776 1.00 0.78 H new ATOM 896 N ASP A 58 -3.517 4.176 -10.289 1.00 0.71 N ATOM 897 CA ASP A 58 -4.446 3.669 -11.330 1.00 0.78 C ATOM 898 C ASP A 58 -4.368 2.152 -11.407 1.00 0.87 C ATOM 899 O ASP A 58 -4.824 1.540 -12.354 1.00 1.59 O ATOM 900 CB ASP A 58 -4.077 4.274 -12.678 1.00 0.88 C ATOM 901 CG ASP A 58 -4.318 5.784 -12.643 1.00 1.77 C ATOM 902 OD1 ASP A 58 -4.938 6.242 -11.698 1.00 2.57 O ATOM 903 OD2 ASP A 58 -3.867 6.458 -13.554 1.00 2.16 O ATOM 0 H ASP A 58 -2.612 4.492 -10.637 1.00 0.71 H new ATOM 0 HA ASP A 58 -5.465 3.956 -11.070 1.00 0.78 H new ATOM 0 HB2 ASP A 58 -3.032 4.067 -12.907 1.00 0.88 H new ATOM 0 HB3 ASP A 58 -4.673 3.818 -13.469 1.00 0.88 H new ATOM 908 N LYS A 59 -3.779 1.542 -10.427 1.00 0.69 N ATOM 909 CA LYS A 59 -3.652 0.074 -10.446 1.00 0.63 C ATOM 910 C LYS A 59 -4.840 -0.553 -9.737 1.00 0.92 C ATOM 911 O LYS A 59 -5.141 -0.223 -8.619 1.00 1.56 O ATOM 912 CB LYS A 59 -2.411 -0.268 -9.633 1.00 0.62 C ATOM 913 CG LYS A 59 -1.157 0.277 -10.316 1.00 1.23 C ATOM 914 CD LYS A 59 0.080 -0.162 -9.527 1.00 1.26 C ATOM 915 CE LYS A 59 1.328 0.475 -10.139 1.00 2.14 C ATOM 916 NZ LYS A 59 1.923 1.436 -9.169 1.00 2.90 N ATOM 0 H LYS A 59 -3.379 2.003 -9.610 1.00 0.69 H new ATOM 0 HA LYS A 59 -3.598 -0.289 -11.472 1.00 0.63 H new ATOM 0 HB2 LYS A 59 -2.498 0.152 -8.631 1.00 0.62 H new ATOM 0 HB3 LYS A 59 -2.330 -1.349 -9.519 1.00 0.62 H new ATOM 0 HG2 LYS A 59 -1.098 -0.090 -11.341 1.00 1.23 H new ATOM 0 HG3 LYS A 59 -1.201 1.365 -10.369 1.00 1.23 H new ATOM 0 HD2 LYS A 59 -0.018 0.134 -8.483 1.00 1.26 H new ATOM 0 HD3 LYS A 59 0.168 -1.248 -9.543 1.00 1.26 H new ATOM 0 HE2 LYS A 59 2.054 -0.296 -10.395 1.00 2.14 H new ATOM 0 HE3 LYS A 59 1.070 0.989 -11.065 1.00 2.14 H new ATOM 0 HZ1 LYS A 59 2.772 1.869 -9.586 1.00 2.90 H new ATOM 0 HZ2 LYS A 59 1.230 2.178 -8.946 1.00 2.90 H new ATOM 0 HZ3 LYS A 59 2.184 0.933 -8.297 1.00 2.90 H new ATOM 930 N LYS A 60 -5.527 -1.439 -10.389 1.00 0.91 N ATOM 931 CA LYS A 60 -6.712 -2.082 -9.749 1.00 1.21 C ATOM 932 C LYS A 60 -6.695 -3.586 -9.987 1.00 0.55 C ATOM 933 O LYS A 60 -6.691 -4.054 -11.108 1.00 1.43 O ATOM 934 CB LYS A 60 -7.955 -1.466 -10.388 1.00 2.34 C ATOM 935 CG LYS A 60 -9.227 -1.996 -9.737 1.00 2.82 C ATOM 936 CD LYS A 60 -10.428 -1.282 -10.369 1.00 3.96 C ATOM 937 CE LYS A 60 -10.573 -1.690 -11.840 1.00 4.45 C ATOM 938 NZ LYS A 60 -12.018 -1.859 -12.165 1.00 5.03 N ATOM 0 H LYS A 60 -5.324 -1.750 -11.339 1.00 0.91 H new ATOM 0 HA LYS A 60 -6.703 -1.917 -8.672 1.00 1.21 H new ATOM 0 HB2 LYS A 60 -7.918 -0.381 -10.291 1.00 2.34 H new ATOM 0 HB3 LYS A 60 -7.968 -1.690 -11.455 1.00 2.34 H new ATOM 0 HG2 LYS A 60 -9.307 -3.073 -9.882 1.00 2.82 H new ATOM 0 HG3 LYS A 60 -9.204 -1.820 -8.662 1.00 2.82 H new ATOM 0 HD2 LYS A 60 -11.338 -1.533 -9.823 1.00 3.96 H new ATOM 0 HD3 LYS A 60 -10.299 -0.202 -10.295 1.00 3.96 H new ATOM 0 HE2 LYS A 60 -10.130 -0.931 -12.485 1.00 4.45 H new ATOM 0 HE3 LYS A 60 -10.036 -2.620 -12.026 1.00 4.45 H new ATOM 0 HZ1 LYS A 60 -12.119 -2.136 -13.162 1.00 5.03 H new ATOM 0 HZ2 LYS A 60 -12.426 -2.598 -11.557 1.00 5.03 H new ATOM 0 HZ3 LYS A 60 -12.518 -0.962 -12.002 1.00 5.03 H new ATOM 952 N ILE A 61 -6.703 -4.341 -8.922 1.00 0.90 N ATOM 953 CA ILE A 61 -6.707 -5.821 -9.023 1.00 1.43 C ATOM 954 C ILE A 61 -7.801 -6.355 -8.094 1.00 0.99 C ATOM 955 O ILE A 61 -8.167 -5.710 -7.132 1.00 1.45 O ATOM 956 CB ILE A 61 -5.334 -6.376 -8.621 1.00 2.80 C ATOM 957 CG1 ILE A 61 -5.239 -7.859 -8.995 1.00 3.66 C ATOM 958 CG2 ILE A 61 -5.138 -6.231 -7.110 1.00 3.54 C ATOM 959 CD1 ILE A 61 -3.771 -8.283 -8.990 1.00 4.81 C ATOM 0 H ILE A 61 -6.707 -3.982 -7.967 1.00 0.90 H new ATOM 0 HA ILE A 61 -6.907 -6.135 -10.047 1.00 1.43 H new ATOM 0 HB ILE A 61 -4.562 -5.816 -9.148 1.00 2.80 H new ATOM 0 HG12 ILE A 61 -5.807 -8.462 -8.287 1.00 3.66 H new ATOM 0 HG13 ILE A 61 -5.676 -8.027 -9.979 1.00 3.66 H new ATOM 0 HG21 ILE A 61 -4.162 -6.627 -6.830 1.00 3.54 H new ATOM 0 HG22 ILE A 61 -5.195 -5.178 -6.835 1.00 3.54 H new ATOM 0 HG23 ILE A 61 -5.917 -6.785 -6.587 1.00 3.54 H new ATOM 0 HD11 ILE A 61 -3.696 -9.338 -9.255 1.00 4.81 H new ATOM 0 HD12 ILE A 61 -3.217 -7.686 -9.715 1.00 4.81 H new ATOM 0 HD13 ILE A 61 -3.351 -8.128 -7.996 1.00 4.81 H new ATOM 971 N ASP A 62 -8.353 -7.493 -8.379 1.00 1.05 N ATOM 972 CA ASP A 62 -9.452 -8.005 -7.509 1.00 0.82 C ATOM 973 C ASP A 62 -8.871 -8.734 -6.283 1.00 0.92 C ATOM 974 O ASP A 62 -7.931 -9.500 -6.356 1.00 1.22 O ATOM 975 CB ASP A 62 -10.365 -8.932 -8.325 1.00 1.33 C ATOM 976 CG ASP A 62 -9.602 -10.167 -8.822 1.00 1.56 C ATOM 977 OD1 ASP A 62 -8.509 -10.409 -8.346 1.00 2.14 O ATOM 978 OD2 ASP A 62 -10.132 -10.854 -9.679 1.00 2.06 O ATOM 0 H ASP A 62 -8.099 -8.090 -9.166 1.00 1.05 H new ATOM 0 HA ASP A 62 -10.045 -7.166 -7.145 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -11.210 -9.246 -7.712 1.00 1.33 H new ATOM 0 HB3 ASP A 62 -10.774 -8.387 -9.176 1.00 1.33 H new ATOM 983 N ILE A 63 -9.410 -8.405 -5.136 1.00 0.75 N ATOM 984 CA ILE A 63 -8.914 -8.965 -3.839 1.00 0.87 C ATOM 985 C ILE A 63 -10.035 -9.630 -3.035 1.00 0.70 C ATOM 986 O ILE A 63 -11.199 -9.346 -3.243 1.00 0.66 O ATOM 987 CB ILE A 63 -8.344 -7.782 -3.072 1.00 1.06 C ATOM 988 CG1 ILE A 63 -9.480 -6.808 -2.701 1.00 0.94 C ATOM 989 CG2 ILE A 63 -7.309 -7.077 -3.948 1.00 1.72 C ATOM 990 CD1 ILE A 63 -8.923 -5.641 -1.897 1.00 1.64 C ATOM 0 H ILE A 63 -10.192 -7.756 -5.041 1.00 0.75 H new ATOM 0 HA ILE A 63 -8.169 -9.741 -4.015 1.00 0.87 H new ATOM 0 HB ILE A 63 -7.868 -8.128 -2.154 1.00 1.06 H new ATOM 0 HG12 ILE A 63 -9.964 -6.439 -3.605 1.00 0.94 H new ATOM 0 HG13 ILE A 63 -10.242 -7.329 -2.121 1.00 0.94 H new ATOM 0 HG21 ILE A 63 -6.894 -6.227 -3.407 1.00 1.72 H new ATOM 0 HG22 ILE A 63 -6.509 -7.774 -4.198 1.00 1.72 H new ATOM 0 HG23 ILE A 63 -7.785 -6.727 -4.864 1.00 1.72 H new ATOM 0 HD11 ILE A 63 -9.732 -4.958 -1.639 1.00 1.64 H new ATOM 0 HD12 ILE A 63 -8.460 -6.016 -0.984 1.00 1.64 H new ATOM 0 HD13 ILE A 63 -8.178 -5.113 -2.491 1.00 1.64 H new ATOM 1002 N GLN A 64 -9.714 -10.517 -2.113 1.00 0.71 N ATOM 1003 CA GLN A 64 -10.825 -11.149 -1.349 1.00 0.66 C ATOM 1004 C GLN A 64 -11.550 -10.076 -0.522 1.00 0.61 C ATOM 1005 O GLN A 64 -12.759 -10.018 -0.569 1.00 1.32 O ATOM 1006 CB GLN A 64 -10.252 -12.221 -0.416 1.00 0.77 C ATOM 1007 CG GLN A 64 -11.391 -13.003 0.245 1.00 1.23 C ATOM 1008 CD GLN A 64 -12.045 -13.920 -0.790 1.00 1.77 C ATOM 1009 OE1 GLN A 64 -11.417 -14.828 -1.298 1.00 2.17 O ATOM 1010 NE2 GLN A 64 -13.290 -13.720 -1.128 1.00 2.59 N ATOM 0 H GLN A 64 -8.769 -10.815 -1.870 1.00 0.71 H new ATOM 0 HA GLN A 64 -11.531 -11.610 -2.040 1.00 0.66 H new ATOM 0 HB2 GLN A 64 -9.612 -12.901 -0.979 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -9.629 -11.755 0.347 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -11.007 -13.592 1.078 1.00 1.23 H new ATOM 0 HG3 GLN A 64 -12.130 -12.314 0.655 1.00 1.23 H new ATOM 0 HE21 GLN A 64 -13.818 -12.958 -0.702 1.00 2.59 H new ATOM 0 HE22 GLN A 64 -13.735 -14.326 -1.818 1.00 2.59 H new ATOM 1019 N LYS A 65 -10.833 -9.234 0.232 1.00 0.80 N ATOM 1020 CA LYS A 65 -11.475 -8.149 1.073 1.00 0.78 C ATOM 1021 C LYS A 65 -11.557 -8.580 2.554 1.00 0.69 C ATOM 1022 O LYS A 65 -12.474 -9.277 2.941 1.00 0.82 O ATOM 1023 CB LYS A 65 -12.877 -7.775 0.589 1.00 1.04 C ATOM 1024 CG LYS A 65 -13.272 -6.434 1.218 1.00 1.72 C ATOM 1025 CD LYS A 65 -14.772 -6.187 1.029 1.00 1.99 C ATOM 1026 CE LYS A 65 -15.077 -5.931 -0.449 1.00 2.85 C ATOM 1027 NZ LYS A 65 -14.158 -4.887 -0.985 1.00 3.48 N ATOM 0 H LYS A 65 -9.815 -9.261 0.295 1.00 0.80 H new ATOM 0 HA LYS A 65 -10.837 -7.271 0.971 1.00 0.78 H new ATOM 0 HB2 LYS A 65 -12.895 -7.702 -0.498 1.00 1.04 H new ATOM 0 HB3 LYS A 65 -13.592 -8.549 0.868 1.00 1.04 H new ATOM 0 HG2 LYS A 65 -13.026 -6.435 2.280 1.00 1.72 H new ATOM 0 HG3 LYS A 65 -12.702 -5.626 0.760 1.00 1.72 H new ATOM 0 HD2 LYS A 65 -15.338 -7.049 1.382 1.00 1.99 H new ATOM 0 HD3 LYS A 65 -15.087 -5.332 1.627 1.00 1.99 H new ATOM 0 HE2 LYS A 65 -14.963 -6.854 -1.018 1.00 2.85 H new ATOM 0 HE3 LYS A 65 -16.112 -5.610 -0.565 1.00 2.85 H new ATOM 0 HZ1 LYS A 65 -14.672 -4.285 -1.659 1.00 3.48 H new ATOM 0 HZ2 LYS A 65 -13.801 -4.303 -0.202 1.00 3.48 H new ATOM 0 HZ3 LYS A 65 -13.358 -5.343 -1.468 1.00 3.48 H new ATOM 1041 N GLY A 66 -10.635 -8.154 3.398 1.00 0.59 N ATOM 1042 CA GLY A 66 -10.721 -8.533 4.853 1.00 0.60 C ATOM 1043 C GLY A 66 -9.923 -9.815 5.158 1.00 0.55 C ATOM 1044 O GLY A 66 -9.993 -10.352 6.245 1.00 0.64 O ATOM 0 H GLY A 66 -9.838 -7.569 3.146 1.00 0.59 H new ATOM 0 HA2 GLY A 66 -10.342 -7.715 5.465 1.00 0.60 H new ATOM 0 HA3 GLY A 66 -11.765 -8.680 5.129 1.00 0.60 H new ATOM 1048 N ALA A 67 -9.188 -10.316 4.210 1.00 0.50 N ATOM 1049 CA ALA A 67 -8.398 -11.579 4.430 1.00 0.56 C ATOM 1050 C ALA A 67 -7.421 -11.476 5.628 1.00 0.56 C ATOM 1051 O ALA A 67 -6.952 -10.412 5.976 1.00 0.54 O ATOM 1052 CB ALA A 67 -7.623 -11.906 3.163 1.00 0.62 C ATOM 0 H ALA A 67 -9.093 -9.909 3.280 1.00 0.50 H new ATOM 0 HA ALA A 67 -9.106 -12.373 4.667 1.00 0.56 H new ATOM 0 HB1 ALA A 67 -7.048 -12.820 3.314 1.00 0.62 H new ATOM 0 HB2 ALA A 67 -8.320 -12.048 2.337 1.00 0.62 H new ATOM 0 HB3 ALA A 67 -6.945 -11.085 2.929 1.00 0.62 H new ATOM 1058 N SER A 68 -7.109 -12.607 6.245 1.00 0.63 N ATOM 1059 CA SER A 68 -6.154 -12.645 7.415 1.00 0.65 C ATOM 1060 C SER A 68 -4.778 -12.177 6.928 1.00 0.60 C ATOM 1061 O SER A 68 -4.568 -12.048 5.740 1.00 0.56 O ATOM 1062 CB SER A 68 -6.053 -14.071 7.954 1.00 0.73 C ATOM 1063 OG SER A 68 -5.296 -14.863 7.049 1.00 0.73 O ATOM 0 H SER A 68 -7.483 -13.518 5.981 1.00 0.63 H new ATOM 0 HA SER A 68 -6.512 -11.994 8.213 1.00 0.65 H new ATOM 0 HB2 SER A 68 -5.580 -14.068 8.936 1.00 0.73 H new ATOM 0 HB3 SER A 68 -7.049 -14.495 8.081 1.00 0.73 H new ATOM 0 HG SER A 68 -5.228 -15.778 7.393 1.00 0.73 H new ATOM 1069 N ASP A 69 -3.830 -11.885 7.800 1.00 0.64 N ATOM 1070 CA ASP A 69 -2.524 -11.401 7.276 1.00 0.60 C ATOM 1071 C ASP A 69 -1.866 -12.392 6.335 1.00 0.57 C ATOM 1072 O ASP A 69 -1.373 -12.007 5.301 1.00 0.51 O ATOM 1073 CB ASP A 69 -1.569 -11.201 8.451 1.00 0.66 C ATOM 1074 CG ASP A 69 -2.039 -10.026 9.310 1.00 1.15 C ATOM 1075 OD1 ASP A 69 -2.919 -9.307 8.866 1.00 1.69 O ATOM 1076 OD2 ASP A 69 -1.512 -9.866 10.399 1.00 2.02 O ATOM 0 H ASP A 69 -3.908 -11.960 8.814 1.00 0.64 H new ATOM 0 HA ASP A 69 -2.722 -10.478 6.731 1.00 0.60 H new ATOM 0 HB2 ASP A 69 -1.525 -12.108 9.053 1.00 0.66 H new ATOM 0 HB3 ASP A 69 -0.560 -11.013 8.083 1.00 0.66 H new ATOM 1081 N GLU A 70 -1.812 -13.656 6.651 1.00 0.64 N ATOM 1082 CA GLU A 70 -1.113 -14.547 5.700 1.00 0.64 C ATOM 1083 C GLU A 70 -1.851 -14.485 4.377 1.00 0.59 C ATOM 1084 O GLU A 70 -1.264 -14.432 3.315 1.00 0.57 O ATOM 1085 CB GLU A 70 -1.102 -15.973 6.240 1.00 0.75 C ATOM 1086 CG GLU A 70 -0.224 -16.825 5.335 1.00 1.34 C ATOM 1087 CD GLU A 70 -0.266 -18.283 5.796 1.00 1.66 C ATOM 1088 OE1 GLU A 70 -0.973 -18.562 6.750 1.00 1.89 O ATOM 1089 OE2 GLU A 70 0.411 -19.096 5.187 1.00 2.30 O ATOM 0 H GLU A 70 -2.203 -14.091 7.487 1.00 0.64 H new ATOM 0 HA GLU A 70 -0.079 -14.230 5.565 1.00 0.64 H new ATOM 0 HB2 GLU A 70 -0.721 -15.988 7.261 1.00 0.75 H new ATOM 0 HB3 GLU A 70 -2.115 -16.374 6.272 1.00 0.75 H new ATOM 0 HG2 GLU A 70 -0.568 -16.750 4.304 1.00 1.34 H new ATOM 0 HG3 GLU A 70 0.802 -16.457 5.356 1.00 1.34 H new ATOM 1096 N GLU A 71 -3.145 -14.458 4.449 1.00 0.59 N ATOM 1097 CA GLU A 71 -3.929 -14.360 3.204 1.00 0.57 C ATOM 1098 C GLU A 71 -3.622 -13.009 2.563 1.00 0.51 C ATOM 1099 O GLU A 71 -3.516 -12.894 1.362 1.00 0.51 O ATOM 1100 CB GLU A 71 -5.420 -14.474 3.517 1.00 0.64 C ATOM 1101 CG GLU A 71 -5.720 -15.867 4.074 1.00 0.90 C ATOM 1102 CD GLU A 71 -7.223 -16.003 4.326 1.00 1.19 C ATOM 1103 OE1 GLU A 71 -7.913 -15.002 4.228 1.00 1.96 O ATOM 1104 OE2 GLU A 71 -7.657 -17.107 4.613 1.00 1.50 O ATOM 0 H GLU A 71 -3.688 -14.499 5.311 1.00 0.59 H new ATOM 0 HA GLU A 71 -3.665 -15.167 2.521 1.00 0.57 H new ATOM 0 HB2 GLU A 71 -5.710 -13.712 4.240 1.00 0.64 H new ATOM 0 HB3 GLU A 71 -6.006 -14.297 2.615 1.00 0.64 H new ATOM 0 HG2 GLU A 71 -5.388 -16.631 3.371 1.00 0.90 H new ATOM 0 HG3 GLU A 71 -5.169 -16.026 5.001 1.00 0.90 H new ATOM 1111 N VAL A 72 -3.432 -11.989 3.367 1.00 0.49 N ATOM 1112 CA VAL A 72 -3.084 -10.657 2.796 1.00 0.46 C ATOM 1113 C VAL A 72 -1.729 -10.735 2.118 1.00 0.41 C ATOM 1114 O VAL A 72 -1.531 -10.210 1.040 1.00 0.43 O ATOM 1115 CB VAL A 72 -3.011 -9.611 3.903 1.00 0.48 C ATOM 1116 CG1 VAL A 72 -2.507 -8.288 3.329 1.00 0.46 C ATOM 1117 CG2 VAL A 72 -4.399 -9.410 4.517 1.00 0.59 C ATOM 0 H VAL A 72 -3.503 -12.024 4.384 1.00 0.49 H new ATOM 0 HA VAL A 72 -3.853 -10.375 2.076 1.00 0.46 H new ATOM 0 HB VAL A 72 -2.323 -9.954 4.675 1.00 0.48 H new ATOM 0 HG11 VAL A 72 -2.456 -7.543 4.123 1.00 0.46 H new ATOM 0 HG12 VAL A 72 -1.515 -8.431 2.902 1.00 0.46 H new ATOM 0 HG13 VAL A 72 -3.190 -7.945 2.552 1.00 0.46 H new ATOM 0 HG21 VAL A 72 -4.342 -8.662 5.308 1.00 0.59 H new ATOM 0 HG22 VAL A 72 -5.092 -9.072 3.747 1.00 0.59 H new ATOM 0 HG23 VAL A 72 -4.752 -10.353 4.935 1.00 0.59 H new ATOM 1127 N LYS A 73 -0.784 -11.387 2.742 1.00 0.40 N ATOM 1128 CA LYS A 73 0.546 -11.474 2.106 1.00 0.43 C ATOM 1129 C LYS A 73 0.370 -12.169 0.763 1.00 0.47 C ATOM 1130 O LYS A 73 0.941 -11.779 -0.234 1.00 0.51 O ATOM 1131 CB LYS A 73 1.478 -12.274 3.018 1.00 0.48 C ATOM 1132 CG LYS A 73 1.685 -11.517 4.330 1.00 0.50 C ATOM 1133 CD LYS A 73 2.705 -12.274 5.178 1.00 0.59 C ATOM 1134 CE LYS A 73 2.819 -11.597 6.534 1.00 0.76 C ATOM 1135 NZ LYS A 73 3.694 -12.408 7.428 1.00 0.79 N ATOM 0 H LYS A 73 -0.879 -11.851 3.645 1.00 0.40 H new ATOM 0 HA LYS A 73 0.982 -10.487 1.951 1.00 0.43 H new ATOM 0 HB2 LYS A 73 1.052 -13.258 3.217 1.00 0.48 H new ATOM 0 HB3 LYS A 73 2.436 -12.435 2.524 1.00 0.48 H new ATOM 0 HG2 LYS A 73 2.037 -10.505 4.130 1.00 0.50 H new ATOM 0 HG3 LYS A 73 0.741 -11.426 4.867 1.00 0.50 H new ATOM 0 HD2 LYS A 73 2.397 -13.312 5.300 1.00 0.59 H new ATOM 0 HD3 LYS A 73 3.675 -12.286 4.680 1.00 0.59 H new ATOM 0 HE2 LYS A 73 3.231 -10.595 6.417 1.00 0.76 H new ATOM 0 HE3 LYS A 73 1.831 -11.485 6.980 1.00 0.76 H new ATOM 0 HZ1 LYS A 73 3.770 -11.942 8.355 1.00 0.79 H new ATOM 0 HZ2 LYS A 73 3.283 -13.356 7.549 1.00 0.79 H new ATOM 0 HZ3 LYS A 73 4.640 -12.492 7.004 1.00 0.79 H new ATOM 1149 N LYS A 74 -0.435 -13.197 0.729 1.00 0.49 N ATOM 1150 CA LYS A 74 -0.650 -13.892 -0.557 1.00 0.57 C ATOM 1151 C LYS A 74 -1.212 -12.880 -1.546 1.00 0.58 C ATOM 1152 O LYS A 74 -0.781 -12.790 -2.679 1.00 0.63 O ATOM 1153 CB LYS A 74 -1.651 -15.020 -0.346 1.00 0.63 C ATOM 1154 CG LYS A 74 -1.767 -15.832 -1.627 1.00 1.16 C ATOM 1155 CD LYS A 74 -2.808 -16.926 -1.425 1.00 1.19 C ATOM 1156 CE LYS A 74 -2.831 -17.847 -2.646 1.00 2.01 C ATOM 1157 NZ LYS A 74 -3.687 -19.032 -2.359 1.00 2.33 N ATOM 0 H LYS A 74 -0.943 -13.576 1.528 1.00 0.49 H new ATOM 0 HA LYS A 74 0.282 -14.309 -0.937 1.00 0.57 H new ATOM 0 HB2 LYS A 74 -1.329 -15.659 0.476 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -2.624 -14.612 -0.070 1.00 0.63 H new ATOM 0 HG2 LYS A 74 -2.054 -15.187 -2.457 1.00 1.16 H new ATOM 0 HG3 LYS A 74 -0.803 -16.272 -1.883 1.00 1.16 H new ATOM 0 HD2 LYS A 74 -2.576 -17.501 -0.528 1.00 1.19 H new ATOM 0 HD3 LYS A 74 -3.792 -16.482 -1.274 1.00 1.19 H new ATOM 0 HE2 LYS A 74 -3.215 -17.309 -3.513 1.00 2.01 H new ATOM 0 HE3 LYS A 74 -1.819 -18.167 -2.892 1.00 2.01 H new ATOM 0 HZ1 LYS A 74 -3.703 -19.658 -3.189 1.00 2.33 H new ATOM 0 HZ2 LYS A 74 -3.302 -19.549 -1.543 1.00 2.33 H new ATOM 0 HZ3 LYS A 74 -4.655 -18.717 -2.144 1.00 2.33 H new ATOM 1171 N LYS A 75 -2.145 -12.078 -1.102 1.00 0.55 N ATOM 1172 CA LYS A 75 -2.704 -11.025 -1.985 1.00 0.59 C ATOM 1173 C LYS A 75 -1.619 -10.034 -2.399 1.00 0.55 C ATOM 1174 O LYS A 75 -1.644 -9.511 -3.494 1.00 0.59 O ATOM 1175 CB LYS A 75 -3.880 -10.308 -1.321 1.00 0.62 C ATOM 1176 CG LYS A 75 -5.031 -11.309 -1.126 1.00 1.06 C ATOM 1177 CD LYS A 75 -6.322 -10.579 -0.734 1.00 1.32 C ATOM 1178 CE LYS A 75 -6.200 -9.955 0.654 1.00 1.88 C ATOM 1179 NZ LYS A 75 -7.502 -9.333 1.028 1.00 2.62 N ATOM 0 H LYS A 75 -2.541 -12.111 -0.163 1.00 0.55 H new ATOM 0 HA LYS A 75 -3.082 -11.510 -2.885 1.00 0.59 H new ATOM 0 HB2 LYS A 75 -3.574 -9.894 -0.360 1.00 0.62 H new ATOM 0 HB3 LYS A 75 -4.209 -9.472 -1.939 1.00 0.62 H new ATOM 0 HG2 LYS A 75 -5.190 -11.872 -2.046 1.00 1.06 H new ATOM 0 HG3 LYS A 75 -4.766 -12.030 -0.353 1.00 1.06 H new ATOM 0 HD2 LYS A 75 -6.542 -9.803 -1.467 1.00 1.32 H new ATOM 0 HD3 LYS A 75 -7.158 -11.278 -0.750 1.00 1.32 H new ATOM 0 HE2 LYS A 75 -5.923 -10.715 1.385 1.00 1.88 H new ATOM 0 HE3 LYS A 75 -5.410 -9.204 0.660 1.00 1.88 H new ATOM 0 HZ1 LYS A 75 -7.388 -8.791 1.908 1.00 2.62 H new ATOM 0 HZ2 LYS A 75 -7.814 -8.696 0.267 1.00 2.62 H new ATOM 0 HZ3 LYS A 75 -8.214 -10.077 1.169 1.00 2.62 H new ATOM 1193 N LEU A 76 -0.664 -9.748 -1.547 1.00 0.51 N ATOM 1194 CA LEU A 76 0.387 -8.773 -1.948 1.00 0.52 C ATOM 1195 C LEU A 76 1.024 -9.256 -3.234 1.00 0.54 C ATOM 1196 O LEU A 76 1.307 -8.496 -4.136 1.00 0.59 O ATOM 1197 CB LEU A 76 1.439 -8.729 -0.834 1.00 0.58 C ATOM 1198 CG LEU A 76 2.528 -7.708 -1.166 1.00 0.76 C ATOM 1199 CD1 LEU A 76 1.948 -6.303 -1.139 1.00 1.30 C ATOM 1200 CD2 LEU A 76 3.639 -7.810 -0.119 1.00 1.28 C ATOM 0 H LEU A 76 -0.570 -10.141 -0.610 1.00 0.51 H new ATOM 0 HA LEU A 76 -0.034 -7.780 -2.102 1.00 0.52 H new ATOM 0 HB2 LEU A 76 0.965 -8.469 0.112 1.00 0.58 H new ATOM 0 HB3 LEU A 76 1.884 -9.716 -0.707 1.00 0.58 H new ATOM 0 HG LEU A 76 2.925 -7.913 -2.160 1.00 0.76 H new ATOM 0 HD11 LEU A 76 2.730 -5.582 -1.376 1.00 1.30 H new ATOM 0 HD12 LEU A 76 1.148 -6.226 -1.875 1.00 1.30 H new ATOM 0 HD13 LEU A 76 1.550 -6.093 -0.146 1.00 1.30 H new ATOM 0 HD21 LEU A 76 4.421 -7.086 -0.347 1.00 1.28 H new ATOM 0 HD22 LEU A 76 3.228 -7.602 0.869 1.00 1.28 H new ATOM 0 HD23 LEU A 76 4.060 -8.815 -0.132 1.00 1.28 H new ATOM 1212 N GLU A 77 1.256 -10.518 -3.322 1.00 0.54 N ATOM 1213 CA GLU A 77 1.877 -11.054 -4.548 1.00 0.62 C ATOM 1214 C GLU A 77 0.959 -10.780 -5.731 1.00 0.66 C ATOM 1215 O GLU A 77 1.416 -10.531 -6.823 1.00 0.72 O ATOM 1216 CB GLU A 77 2.073 -12.545 -4.409 1.00 0.67 C ATOM 1217 CG GLU A 77 3.076 -12.838 -3.292 1.00 0.65 C ATOM 1218 CD GLU A 77 3.317 -14.345 -3.205 1.00 1.04 C ATOM 1219 OE1 GLU A 77 2.601 -15.079 -3.867 1.00 1.47 O ATOM 1220 OE2 GLU A 77 4.213 -14.742 -2.478 1.00 1.70 O ATOM 0 H GLU A 77 1.044 -11.206 -2.600 1.00 0.54 H new ATOM 0 HA GLU A 77 2.843 -10.574 -4.706 1.00 0.62 H new ATOM 0 HB2 GLU A 77 1.120 -13.027 -4.189 1.00 0.67 H new ATOM 0 HB3 GLU A 77 2.432 -12.962 -5.350 1.00 0.67 H new ATOM 0 HG2 GLU A 77 4.015 -12.320 -3.487 1.00 0.65 H new ATOM 0 HG3 GLU A 77 2.697 -12.464 -2.341 1.00 0.65 H new ATOM 1227 N GLU A 78 -0.333 -10.803 -5.542 1.00 0.65 N ATOM 1228 CA GLU A 78 -1.192 -10.514 -6.715 1.00 0.71 C ATOM 1229 C GLU A 78 -0.799 -9.119 -7.162 1.00 0.67 C ATOM 1230 O GLU A 78 -0.643 -8.837 -8.333 1.00 0.72 O ATOM 1231 CB GLU A 78 -2.662 -10.538 -6.296 1.00 0.74 C ATOM 1232 CG GLU A 78 -3.036 -11.950 -5.849 1.00 1.38 C ATOM 1233 CD GLU A 78 -4.520 -11.996 -5.483 1.00 1.60 C ATOM 1234 OE1 GLU A 78 -5.129 -10.940 -5.427 1.00 1.85 O ATOM 1235 OE2 GLU A 78 -5.022 -13.086 -5.265 1.00 2.29 O ATOM 0 H GLU A 78 -0.812 -11.001 -4.663 1.00 0.65 H new ATOM 0 HA GLU A 78 -1.065 -11.247 -7.512 1.00 0.71 H new ATOM 0 HB2 GLU A 78 -2.833 -9.830 -5.485 1.00 0.74 H new ATOM 0 HB3 GLU A 78 -3.294 -10.228 -7.128 1.00 0.74 H new ATOM 0 HG2 GLU A 78 -2.826 -12.663 -6.647 1.00 1.38 H new ATOM 0 HG3 GLU A 78 -2.430 -12.243 -4.992 1.00 1.38 H new ATOM 1242 N SER A 79 -0.544 -8.273 -6.206 1.00 0.62 N ATOM 1243 CA SER A 79 -0.048 -6.916 -6.528 1.00 0.62 C ATOM 1244 C SER A 79 1.363 -7.069 -7.091 1.00 0.68 C ATOM 1245 O SER A 79 1.840 -6.252 -7.850 1.00 0.74 O ATOM 1246 CB SER A 79 -0.068 -5.984 -5.294 1.00 0.59 C ATOM 1247 OG SER A 79 -1.393 -5.910 -4.789 1.00 1.41 O ATOM 0 H SER A 79 -0.660 -8.468 -5.211 1.00 0.62 H new ATOM 0 HA SER A 79 -0.702 -6.446 -7.262 1.00 0.62 H new ATOM 0 HB2 SER A 79 0.607 -6.363 -4.526 1.00 0.59 H new ATOM 0 HB3 SER A 79 0.286 -4.990 -5.568 1.00 0.59 H new ATOM 0 HG SER A 79 -1.867 -5.168 -5.220 1.00 1.41 H new ATOM 1253 N ASN A 80 2.044 -8.101 -6.649 1.00 0.72 N ATOM 1254 CA ASN A 80 3.462 -8.332 -7.047 1.00 0.85 C ATOM 1255 C ASN A 80 4.219 -7.114 -6.559 1.00 0.84 C ATOM 1256 O ASN A 80 5.105 -6.600 -7.204 1.00 0.95 O ATOM 1257 CB ASN A 80 3.611 -8.448 -8.576 1.00 0.98 C ATOM 1258 CG ASN A 80 2.720 -9.567 -9.119 1.00 1.05 C ATOM 1259 OD1 ASN A 80 2.866 -10.781 -8.664 1.00 1.40 O flip ATOM 1260 ND2 ASN A 80 1.912 -9.342 -9.997 1.00 1.53 N flip ATOM 0 H ASN A 80 1.664 -8.805 -6.016 1.00 0.72 H new ATOM 0 HA ASN A 80 3.836 -9.263 -6.622 1.00 0.85 H new ATOM 0 HB2 ASN A 80 3.343 -7.502 -9.046 1.00 0.98 H new ATOM 0 HB3 ASN A 80 4.652 -8.648 -8.832 1.00 0.98 H new ATOM 0 HD21 ASN A 80 1.797 -8.393 -10.353 1.00 1.53 H new ATOM 0 HD22 ASN A 80 1.348 -10.102 -10.378 1.00 1.53 H new ATOM 1267 N LEU A 81 3.837 -6.644 -5.409 1.00 0.80 N ATOM 1268 CA LEU A 81 4.492 -5.435 -4.838 1.00 0.88 C ATOM 1269 C LEU A 81 5.574 -5.809 -3.844 1.00 1.17 C ATOM 1270 O LEU A 81 6.341 -4.966 -3.425 1.00 1.25 O ATOM 1271 CB LEU A 81 3.447 -4.604 -4.109 1.00 1.13 C ATOM 1272 CG LEU A 81 3.157 -3.299 -4.861 1.00 1.49 C ATOM 1273 CD1 LEU A 81 4.407 -2.417 -4.876 1.00 1.87 C ATOM 1274 CD2 LEU A 81 2.744 -3.617 -6.295 1.00 2.46 C ATOM 0 H LEU A 81 3.096 -7.046 -4.835 1.00 0.80 H new ATOM 0 HA LEU A 81 4.943 -4.876 -5.658 1.00 0.88 H new ATOM 0 HB2 LEU A 81 2.527 -5.180 -4.005 1.00 1.13 H new ATOM 0 HB3 LEU A 81 3.796 -4.377 -3.102 1.00 1.13 H new ATOM 0 HG LEU A 81 2.349 -2.769 -4.356 1.00 1.49 H new ATOM 0 HD11 LEU A 81 4.193 -1.492 -5.412 1.00 1.87 H new ATOM 0 HD12 LEU A 81 4.700 -2.184 -3.852 1.00 1.87 H new ATOM 0 HD13 LEU A 81 5.219 -2.946 -5.375 1.00 1.87 H new ATOM 0 HD21 LEU A 81 2.538 -2.689 -6.829 1.00 2.46 H new ATOM 0 HD22 LEU A 81 3.551 -4.152 -6.796 1.00 2.46 H new ATOM 0 HD23 LEU A 81 1.848 -4.237 -6.286 1.00 2.46 H new ATOM 1286 N THR A 82 5.658 -7.038 -3.427 1.00 1.41 N ATOM 1287 CA THR A 82 6.696 -7.392 -2.439 1.00 1.79 C ATOM 1288 C THR A 82 8.063 -7.030 -2.970 1.00 1.79 C ATOM 1289 O THR A 82 8.941 -6.652 -2.232 1.00 1.97 O ATOM 1290 CB THR A 82 6.657 -8.897 -2.236 1.00 2.11 C ATOM 1291 OG1 THR A 82 5.340 -9.293 -1.879 1.00 2.13 O ATOM 1292 CG2 THR A 82 7.639 -9.300 -1.137 1.00 2.54 C ATOM 0 H THR A 82 5.056 -7.804 -3.728 1.00 1.41 H new ATOM 0 HA THR A 82 6.511 -6.856 -1.508 1.00 1.79 H new ATOM 0 HB THR A 82 6.943 -9.394 -3.163 1.00 2.11 H new ATOM 0 HG1 THR A 82 5.314 -10.264 -1.750 1.00 2.13 H new ATOM 0 HG21 THR A 82 7.605 -10.380 -0.997 1.00 2.54 H new ATOM 0 HG22 THR A 82 8.648 -9.002 -1.423 1.00 2.54 H new ATOM 0 HG23 THR A 82 7.365 -8.805 -0.205 1.00 2.54 H new ATOM 1300 N GLU A 83 8.287 -7.253 -4.225 1.00 1.69 N ATOM 1301 CA GLU A 83 9.637 -7.017 -4.745 1.00 1.83 C ATOM 1302 C GLU A 83 9.640 -6.750 -6.236 1.00 1.73 C ATOM 1303 O GLU A 83 10.644 -6.313 -6.761 1.00 1.85 O ATOM 1304 CB GLU A 83 10.494 -8.252 -4.418 1.00 2.32 C ATOM 1305 CG GLU A 83 11.963 -8.041 -4.816 1.00 2.54 C ATOM 1306 CD GLU A 83 12.750 -9.324 -4.542 1.00 2.96 C ATOM 1307 OE1 GLU A 83 12.142 -10.284 -4.098 1.00 3.53 O ATOM 1308 OE2 GLU A 83 13.946 -9.323 -4.778 1.00 3.13 O ATOM 0 H GLU A 83 7.599 -7.584 -4.902 1.00 1.69 H new ATOM 0 HA GLU A 83 10.047 -6.125 -4.272 1.00 1.83 H new ATOM 0 HB2 GLU A 83 10.432 -8.466 -3.351 1.00 2.32 H new ATOM 0 HB3 GLU A 83 10.096 -9.121 -4.941 1.00 2.32 H new ATOM 0 HG2 GLU A 83 12.032 -7.777 -5.871 1.00 2.54 H new ATOM 0 HG3 GLU A 83 12.389 -7.212 -4.252 1.00 2.54 H new ATOM 1315 N TYR A 84 8.573 -6.957 -6.963 1.00 1.58 N ATOM 1316 CA TYR A 84 8.736 -6.627 -8.396 1.00 1.68 C ATOM 1317 C TYR A 84 9.119 -5.159 -8.436 1.00 1.53 C ATOM 1318 O TYR A 84 10.018 -4.749 -9.144 1.00 1.85 O ATOM 1319 CB TYR A 84 7.431 -6.829 -9.151 1.00 1.54 C ATOM 1320 CG TYR A 84 7.661 -6.585 -10.624 1.00 1.85 C ATOM 1321 CD1 TYR A 84 8.138 -7.619 -11.440 1.00 2.50 C ATOM 1322 CD2 TYR A 84 7.400 -5.324 -11.172 1.00 2.10 C ATOM 1323 CE1 TYR A 84 8.354 -7.389 -12.804 1.00 2.86 C ATOM 1324 CE2 TYR A 84 7.615 -5.095 -12.537 1.00 2.45 C ATOM 1325 CZ TYR A 84 8.092 -6.127 -13.353 1.00 2.63 C ATOM 1326 OH TYR A 84 8.305 -5.901 -14.698 1.00 3.06 O ATOM 0 H TYR A 84 7.667 -7.311 -6.655 1.00 1.58 H new ATOM 0 HA TYR A 84 9.485 -7.267 -8.863 1.00 1.68 H new ATOM 0 HB2 TYR A 84 7.059 -7.841 -8.992 1.00 1.54 H new ATOM 0 HB3 TYR A 84 6.670 -6.147 -8.773 1.00 1.54 H new ATOM 0 HD1 TYR A 84 8.339 -8.592 -11.017 1.00 2.50 H new ATOM 0 HD2 TYR A 84 7.033 -4.527 -10.542 1.00 2.10 H new ATOM 0 HE1 TYR A 84 8.723 -8.185 -13.434 1.00 2.86 H new ATOM 0 HE2 TYR A 84 7.413 -4.122 -12.960 1.00 2.45 H new ATOM 0 HH TYR A 84 8.073 -4.974 -14.915 1.00 3.06 H new ATOM 1336 N MET A 85 8.399 -4.355 -7.703 1.00 1.09 N ATOM 1337 CA MET A 85 8.660 -2.902 -7.711 1.00 1.02 C ATOM 1338 C MET A 85 9.675 -2.488 -6.617 1.00 0.89 C ATOM 1339 O MET A 85 10.860 -2.727 -6.732 1.00 1.10 O ATOM 1340 CB MET A 85 7.308 -2.197 -7.522 1.00 0.95 C ATOM 1341 CG MET A 85 7.449 -0.695 -7.761 1.00 1.24 C ATOM 1342 SD MET A 85 5.900 0.136 -7.330 1.00 1.93 S ATOM 1343 CE MET A 85 4.856 -0.657 -8.577 1.00 2.45 C ATOM 0 H MET A 85 7.636 -4.653 -7.096 1.00 1.09 H new ATOM 0 HA MET A 85 9.115 -2.609 -8.657 1.00 1.02 H new ATOM 0 HB2 MET A 85 6.574 -2.614 -8.212 1.00 0.95 H new ATOM 0 HB3 MET A 85 6.935 -2.377 -6.514 1.00 0.95 H new ATOM 0 HG2 MET A 85 8.267 -0.296 -7.161 1.00 1.24 H new ATOM 0 HG3 MET A 85 7.698 -0.504 -8.805 1.00 1.24 H new ATOM 0 HE1 MET A 85 4.191 0.085 -9.020 1.00 2.45 H new ATOM 0 HE2 MET A 85 5.484 -1.092 -9.354 1.00 2.45 H new ATOM 0 HE3 MET A 85 4.263 -1.442 -8.109 1.00 2.45 H new ATOM 1353 N LYS A 86 9.207 -1.780 -5.617 1.00 0.69 N ATOM 1354 CA LYS A 86 10.100 -1.232 -4.558 1.00 0.66 C ATOM 1355 C LYS A 86 11.095 -0.284 -5.232 1.00 0.77 C ATOM 1356 O LYS A 86 12.253 -0.214 -4.872 1.00 0.83 O ATOM 1357 CB LYS A 86 10.868 -2.315 -3.806 1.00 0.81 C ATOM 1358 CG LYS A 86 9.885 -3.248 -3.138 1.00 0.90 C ATOM 1359 CD LYS A 86 10.602 -4.105 -2.070 1.00 1.28 C ATOM 1360 CE LYS A 86 11.713 -4.990 -2.649 1.00 1.33 C ATOM 1361 NZ LYS A 86 11.485 -6.399 -2.214 1.00 1.49 N ATOM 0 H LYS A 86 8.220 -1.556 -5.492 1.00 0.69 H new ATOM 0 HA LYS A 86 9.481 -0.720 -3.822 1.00 0.66 H new ATOM 0 HB2 LYS A 86 11.505 -2.871 -4.494 1.00 0.81 H new ATOM 0 HB3 LYS A 86 11.522 -1.863 -3.061 1.00 0.81 H new ATOM 0 HG2 LYS A 86 9.084 -2.672 -2.675 1.00 0.90 H new ATOM 0 HG3 LYS A 86 9.423 -3.895 -3.883 1.00 0.90 H new ATOM 0 HD2 LYS A 86 11.028 -3.447 -1.313 1.00 1.28 H new ATOM 0 HD3 LYS A 86 9.869 -4.736 -1.568 1.00 1.28 H new ATOM 0 HE2 LYS A 86 11.716 -4.927 -3.737 1.00 1.33 H new ATOM 0 HE3 LYS A 86 12.688 -4.643 -2.307 1.00 1.33 H new ATOM 0 HZ1 LYS A 86 12.162 -7.025 -2.696 1.00 1.49 H new ATOM 0 HZ2 LYS A 86 11.619 -6.471 -1.185 1.00 1.49 H new ATOM 0 HZ3 LYS A 86 10.515 -6.685 -2.457 1.00 1.49 H new ATOM 1375 N GLU A 87 10.640 0.445 -6.214 1.00 0.95 N ATOM 1376 CA GLU A 87 11.554 1.393 -6.922 1.00 1.19 C ATOM 1377 C GLU A 87 11.981 2.545 -6.004 1.00 1.21 C ATOM 1378 O GLU A 87 13.072 3.047 -6.128 1.00 1.60 O ATOM 1379 CB GLU A 87 10.846 1.966 -8.152 1.00 1.64 C ATOM 1380 CG GLU A 87 10.581 0.844 -9.159 1.00 1.85 C ATOM 1381 CD GLU A 87 9.929 1.426 -10.414 1.00 2.10 C ATOM 1382 OE1 GLU A 87 9.565 2.590 -10.383 1.00 2.30 O ATOM 1383 OE2 GLU A 87 9.805 0.698 -11.386 1.00 2.69 O ATOM 0 H GLU A 87 9.680 0.427 -6.557 1.00 0.95 H new ATOM 0 HA GLU A 87 12.445 0.842 -7.223 1.00 1.19 H new ATOM 0 HB2 GLU A 87 9.907 2.435 -7.858 1.00 1.64 H new ATOM 0 HB3 GLU A 87 11.460 2.742 -8.609 1.00 1.64 H new ATOM 0 HG2 GLU A 87 11.515 0.347 -9.419 1.00 1.85 H new ATOM 0 HG3 GLU A 87 9.931 0.089 -8.716 1.00 1.85 H new