USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 608 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 60 MET CE :methyl -166:sc= 0 (180deg=-0.245) USER MOD Set 1.2: A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 13 THR OG1 : rot 118:sc= -0.377 USER MOD Single : A 16 GLN : amide:sc= -0.513 K(o=-0.51,f=-4.1!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -172:sc= -3.35 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0435 USER MOD Single : A 39 LYS NZ :NH3+ 154:sc=-0.00695 (180deg=-0.446) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -164:sc= 0 (180deg=-0.202) USER MOD Single : A 47 MET CE :methyl 173:sc= -0.0925 (180deg=-0.271) USER MOD Single : A 50 GLN : amide:sc= -0.647 K(o=-0.65,f=-1.9) USER MOD Single : A 51 ASN : amide:sc= -0.556! C(o=-0.56!,f=-8.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 58 GLN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 69 SER OG : rot 13:sc= 0.786 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -174:sc= -1.36 (180deg=-1.47) USER MOD Single : A 81 MET CE :methyl -113:sc= -1.23 (180deg=-5.26!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 83.688 2.949 2.859 1.00 0.90 N ATOM 45 CA ILE A 4 83.569 1.694 3.657 1.00 0.89 C ATOM 46 C ILE A 4 82.333 0.904 3.220 1.00 0.82 C ATOM 47 O ILE A 4 82.211 -0.275 3.489 1.00 0.85 O ATOM 48 CB ILE A 4 83.425 2.159 5.107 1.00 0.85 C ATOM 49 CG1 ILE A 4 82.019 2.726 5.324 1.00 1.02 C ATOM 50 CG2 ILE A 4 84.459 3.247 5.400 1.00 0.75 C ATOM 51 CD1 ILE A 4 81.213 1.770 6.206 1.00 1.74 C ATOM 0 HA ILE A 4 84.428 1.037 3.524 1.00 0.89 H new ATOM 0 HB ILE A 4 83.586 1.313 5.776 1.00 0.85 H new ATOM 0 HG12 ILE A 4 82.080 3.707 5.794 1.00 1.02 H new ATOM 0 HG13 ILE A 4 81.519 2.862 4.365 1.00 1.02 H new ATOM 0 HG21 ILE A 4 84.356 3.578 6.433 1.00 0.75 H new ATOM 0 HG22 ILE A 4 85.461 2.848 5.245 1.00 0.75 H new ATOM 0 HG23 ILE A 4 84.298 4.092 4.731 1.00 0.75 H new ATOM 0 HD11 ILE A 4 80.212 2.174 6.360 1.00 1.74 H new ATOM 0 HD12 ILE A 4 81.141 0.798 5.718 1.00 1.74 H new ATOM 0 HD13 ILE A 4 81.711 1.656 7.169 1.00 1.74 H new ATOM 63 N TYR A 5 81.414 1.544 2.551 1.00 0.78 N ATOM 64 CA TYR A 5 80.187 0.827 2.101 1.00 0.78 C ATOM 65 C TYR A 5 80.524 -0.133 0.959 1.00 0.92 C ATOM 66 O TYR A 5 79.878 -1.146 0.776 1.00 0.99 O ATOM 67 CB TYR A 5 79.239 1.927 1.621 1.00 0.78 C ATOM 68 CG TYR A 5 78.882 2.819 2.785 1.00 0.92 C ATOM 69 CD1 TYR A 5 77.886 2.425 3.689 1.00 1.77 C ATOM 70 CD2 TYR A 5 79.544 4.039 2.964 1.00 1.31 C ATOM 71 CE1 TYR A 5 77.556 3.250 4.770 1.00 2.00 C ATOM 72 CE2 TYR A 5 79.213 4.865 4.044 1.00 1.36 C ATOM 73 CZ TYR A 5 78.219 4.470 4.947 1.00 1.35 C ATOM 74 OH TYR A 5 77.892 5.283 6.012 1.00 1.60 O ATOM 0 H TYR A 5 81.459 2.531 2.297 1.00 0.78 H new ATOM 0 HA TYR A 5 79.743 0.227 2.896 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.711 2.511 0.831 1.00 0.78 H new ATOM 0 HB3 TYR A 5 78.337 1.486 1.196 1.00 0.78 H new ATOM 0 HD1 TYR A 5 77.373 1.485 3.551 1.00 1.77 H new ATOM 0 HD2 TYR A 5 80.311 4.343 2.268 1.00 1.31 H new ATOM 0 HE1 TYR A 5 76.790 2.945 5.468 1.00 2.00 H new ATOM 0 HE2 TYR A 5 79.724 5.807 4.181 1.00 1.36 H new ATOM 0 HH TYR A 5 78.446 6.091 5.989 1.00 1.60 H new ATOM 84 N LYS A 6 81.535 0.170 0.191 1.00 1.02 N ATOM 85 CA LYS A 6 81.910 -0.736 -0.932 1.00 1.19 C ATOM 86 C LYS A 6 81.902 -2.188 -0.449 1.00 1.15 C ATOM 87 O LYS A 6 81.662 -3.106 -1.207 1.00 1.19 O ATOM 88 CB LYS A 6 83.323 -0.309 -1.334 1.00 1.38 C ATOM 89 CG LYS A 6 83.586 -0.720 -2.784 1.00 1.86 C ATOM 90 CD LYS A 6 82.900 0.269 -3.729 1.00 1.94 C ATOM 91 CE LYS A 6 83.247 -0.085 -5.177 1.00 2.16 C ATOM 92 NZ LYS A 6 82.406 0.822 -6.008 1.00 2.91 N ATOM 0 H LYS A 6 82.116 1.003 0.292 1.00 1.02 H new ATOM 0 HA LYS A 6 81.216 -0.671 -1.770 1.00 1.19 H new ATOM 0 HB2 LYS A 6 83.433 0.770 -1.225 1.00 1.38 H new ATOM 0 HB3 LYS A 6 84.056 -0.773 -0.674 1.00 1.38 H new ATOM 0 HG2 LYS A 6 84.658 -0.740 -2.978 1.00 1.86 H new ATOM 0 HG3 LYS A 6 83.211 -1.728 -2.961 1.00 1.86 H new ATOM 0 HD2 LYS A 6 81.820 0.237 -3.584 1.00 1.94 H new ATOM 0 HD3 LYS A 6 83.222 1.286 -3.505 1.00 1.94 H new ATOM 0 HE2 LYS A 6 84.308 0.067 -5.377 1.00 2.16 H new ATOM 0 HE3 LYS A 6 83.029 -1.131 -5.391 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 82.588 0.639 -7.015 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 81.401 0.650 -5.801 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 82.640 1.811 -5.788 1.00 2.91 H new ATOM 106 N ALA A 7 82.158 -2.400 0.814 1.00 1.13 N ATOM 107 CA ALA A 7 82.162 -3.789 1.352 1.00 1.14 C ATOM 108 C ALA A 7 80.725 -4.276 1.556 1.00 1.06 C ATOM 109 O ALA A 7 80.443 -5.456 1.485 1.00 1.10 O ATOM 110 CB ALA A 7 82.891 -3.691 2.693 1.00 1.20 C ATOM 0 H ALA A 7 82.365 -1.670 1.496 1.00 1.13 H new ATOM 0 HA ALA A 7 82.646 -4.495 0.677 1.00 1.14 H new ATOM 0 HB1 ALA A 7 82.936 -4.677 3.155 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.903 -3.319 2.531 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.354 -3.007 3.350 1.00 1.20 H new ATOM 116 N ALA A 8 79.813 -3.375 1.807 1.00 0.99 N ATOM 117 CA ALA A 8 78.395 -3.785 2.014 1.00 0.95 C ATOM 118 C ALA A 8 77.956 -4.743 0.903 1.00 0.95 C ATOM 119 O ALA A 8 77.293 -5.731 1.147 1.00 1.02 O ATOM 120 CB ALA A 8 77.590 -2.485 1.949 1.00 0.91 C ATOM 0 H ALA A 8 79.989 -2.373 1.878 1.00 0.99 H new ATOM 0 HA ALA A 8 78.250 -4.306 2.961 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.532 -2.705 2.093 1.00 0.91 H new ATOM 0 HB2 ALA A 8 77.930 -1.807 2.732 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.734 -2.016 0.976 1.00 0.91 H new ATOM 126 N VAL A 9 78.325 -4.459 -0.317 1.00 0.97 N ATOM 127 CA VAL A 9 77.930 -5.353 -1.442 1.00 1.07 C ATOM 128 C VAL A 9 78.880 -6.551 -1.520 1.00 1.16 C ATOM 129 O VAL A 9 78.489 -7.643 -1.885 1.00 1.18 O ATOM 130 CB VAL A 9 78.052 -4.489 -2.697 1.00 1.21 C ATOM 131 CG1 VAL A 9 77.994 -5.382 -3.939 1.00 1.89 C ATOM 132 CG2 VAL A 9 76.901 -3.484 -2.739 1.00 1.49 C ATOM 0 H VAL A 9 78.882 -3.647 -0.583 1.00 0.97 H new ATOM 0 HA VAL A 9 76.923 -5.752 -1.320 1.00 1.07 H new ATOM 0 HB VAL A 9 79.001 -3.954 -2.678 1.00 1.21 H new ATOM 0 HG11 VAL A 9 78.081 -4.766 -4.834 1.00 1.89 H new ATOM 0 HG12 VAL A 9 78.815 -6.099 -3.910 1.00 1.89 H new ATOM 0 HG13 VAL A 9 77.045 -5.918 -3.958 1.00 1.89 H new ATOM 0 HG21 VAL A 9 76.988 -2.868 -3.634 1.00 1.49 H new ATOM 0 HG22 VAL A 9 75.951 -4.019 -2.758 1.00 1.49 H new ATOM 0 HG23 VAL A 9 76.941 -2.847 -1.855 1.00 1.49 H new ATOM 142 N GLU A 10 80.125 -6.357 -1.180 1.00 1.28 N ATOM 143 CA GLU A 10 81.097 -7.486 -1.234 1.00 1.44 C ATOM 144 C GLU A 10 80.556 -8.684 -0.450 1.00 1.41 C ATOM 145 O GLU A 10 80.810 -9.824 -0.784 1.00 1.54 O ATOM 146 CB GLU A 10 82.367 -6.944 -0.580 1.00 1.68 C ATOM 147 CG GLU A 10 83.471 -8.000 -0.658 1.00 2.16 C ATOM 148 CD GLU A 10 84.629 -7.467 -1.502 1.00 2.64 C ATOM 149 OE1 GLU A 10 84.537 -7.545 -2.715 1.00 3.13 O ATOM 150 OE2 GLU A 10 85.590 -6.991 -0.919 1.00 3.13 O ATOM 0 H GLU A 10 80.511 -5.466 -0.867 1.00 1.28 H new ATOM 0 HA GLU A 10 81.279 -7.829 -2.252 1.00 1.44 H new ATOM 0 HB2 GLU A 10 82.686 -6.031 -1.082 1.00 1.68 H new ATOM 0 HB3 GLU A 10 82.171 -6.684 0.460 1.00 1.68 H new ATOM 0 HG2 GLU A 10 83.822 -8.249 0.343 1.00 2.16 H new ATOM 0 HG3 GLU A 10 83.080 -8.918 -1.096 1.00 2.16 H new ATOM 157 N GLN A 11 79.809 -8.433 0.591 1.00 1.37 N ATOM 158 CA GLN A 11 79.249 -9.557 1.395 1.00 1.43 C ATOM 159 C GLN A 11 77.964 -10.076 0.746 1.00 1.24 C ATOM 160 O GLN A 11 77.713 -11.264 0.706 1.00 1.31 O ATOM 161 CB GLN A 11 78.951 -8.951 2.767 1.00 1.58 C ATOM 162 CG GLN A 11 79.915 -9.535 3.802 1.00 1.88 C ATOM 163 CD GLN A 11 81.137 -8.623 3.935 1.00 2.09 C ATOM 164 OE1 GLN A 11 81.735 -8.243 2.948 1.00 2.64 O ATOM 165 NE2 GLN A 11 81.535 -8.254 5.121 1.00 2.48 N ATOM 0 H GLN A 11 79.563 -7.499 0.919 1.00 1.37 H new ATOM 0 HA GLN A 11 79.935 -10.401 1.464 1.00 1.43 H new ATOM 0 HB2 GLN A 11 79.055 -7.867 2.728 1.00 1.58 H new ATOM 0 HB3 GLN A 11 77.921 -9.162 3.054 1.00 1.58 H new ATOM 0 HG2 GLN A 11 79.415 -9.633 4.765 1.00 1.88 H new ATOM 0 HG3 GLN A 11 80.226 -10.535 3.501 1.00 1.88 H new ATOM 0 HE21 GLN A 11 81.033 -8.573 5.950 1.00 2.48 H new ATOM 0 HE22 GLN A 11 82.348 -7.646 5.220 1.00 2.48 H new ATOM 174 N LEU A 12 77.148 -9.195 0.235 1.00 1.24 N ATOM 175 CA LEU A 12 75.881 -9.638 -0.413 1.00 1.13 C ATOM 176 C LEU A 12 76.190 -10.532 -1.617 1.00 1.02 C ATOM 177 O LEU A 12 77.111 -10.281 -2.368 1.00 1.28 O ATOM 178 CB LEU A 12 75.196 -8.347 -0.865 1.00 1.12 C ATOM 179 CG LEU A 12 74.804 -7.521 0.361 1.00 1.28 C ATOM 180 CD1 LEU A 12 74.371 -6.122 -0.081 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.642 -8.205 1.086 1.00 1.49 C ATOM 0 H LEU A 12 77.304 -8.187 0.238 1.00 1.24 H new ATOM 0 HA LEU A 12 75.251 -10.219 0.261 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.866 -7.772 -1.505 1.00 1.12 H new ATOM 0 HB3 LEU A 12 74.311 -8.580 -1.457 1.00 1.12 H new ATOM 0 HG LEU A 12 75.659 -7.442 1.032 1.00 1.28 H new ATOM 0 HD11 LEU A 12 74.092 -5.534 0.793 1.00 2.02 H new ATOM 0 HD12 LEU A 12 75.196 -5.633 -0.599 1.00 2.02 H new ATOM 0 HD13 LEU A 12 73.516 -6.201 -0.753 1.00 2.02 H new ATOM 0 HD21 LEU A 12 73.362 -7.617 1.960 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.789 -8.283 0.413 1.00 1.49 H new ATOM 0 HD23 LEU A 12 73.947 -9.202 1.402 1.00 1.49 H new ATOM 193 N THR A 13 75.429 -11.575 -1.804 1.00 0.93 N ATOM 194 CA THR A 13 75.683 -12.484 -2.958 1.00 0.93 C ATOM 195 C THR A 13 74.610 -12.288 -4.033 1.00 0.88 C ATOM 196 O THR A 13 73.770 -11.415 -3.936 1.00 0.86 O ATOM 197 CB THR A 13 75.605 -13.895 -2.376 1.00 1.03 C ATOM 198 OG1 THR A 13 74.398 -14.036 -1.640 1.00 1.13 O ATOM 199 CG2 THR A 13 76.800 -14.133 -1.451 1.00 1.20 C ATOM 0 H THR A 13 74.643 -11.837 -1.209 1.00 0.93 H new ATOM 0 HA THR A 13 76.646 -12.290 -3.431 1.00 0.93 H new ATOM 0 HB THR A 13 75.624 -14.624 -3.186 1.00 1.03 H new ATOM 0 HG1 THR A 13 73.842 -14.730 -2.053 1.00 1.13 H new ATOM 0 HG21 THR A 13 76.744 -15.139 -1.036 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.725 -14.025 -2.017 1.00 1.20 H new ATOM 0 HG23 THR A 13 76.783 -13.405 -0.640 1.00 1.20 H new ATOM 207 N GLU A 14 74.632 -13.096 -5.058 1.00 0.88 N ATOM 208 CA GLU A 14 73.613 -12.958 -6.139 1.00 0.87 C ATOM 209 C GLU A 14 72.204 -13.091 -5.556 1.00 0.82 C ATOM 210 O GLU A 14 71.317 -12.320 -5.867 1.00 0.79 O ATOM 211 CB GLU A 14 73.905 -14.107 -7.105 1.00 0.99 C ATOM 212 CG GLU A 14 73.134 -13.888 -8.408 1.00 1.98 C ATOM 213 CD GLU A 14 74.057 -13.252 -9.449 1.00 2.36 C ATOM 214 OE1 GLU A 14 74.849 -13.976 -10.031 1.00 2.36 O ATOM 215 OE2 GLU A 14 73.957 -12.053 -9.646 1.00 3.17 O ATOM 0 H GLU A 14 75.311 -13.845 -5.194 1.00 0.88 H new ATOM 0 HA GLU A 14 73.662 -11.988 -6.633 1.00 0.87 H new ATOM 0 HB2 GLU A 14 74.974 -14.162 -7.308 1.00 0.99 H new ATOM 0 HB3 GLU A 14 73.616 -15.057 -6.655 1.00 0.99 H new ATOM 0 HG2 GLU A 14 72.750 -14.838 -8.779 1.00 1.98 H new ATOM 0 HG3 GLU A 14 72.273 -13.244 -8.229 1.00 1.98 H new ATOM 222 N GLU A 15 71.991 -14.064 -4.712 1.00 0.85 N ATOM 223 CA GLU A 15 70.639 -14.246 -4.110 1.00 0.84 C ATOM 224 C GLU A 15 70.280 -13.039 -3.239 1.00 0.76 C ATOM 225 O GLU A 15 69.148 -12.598 -3.209 1.00 0.70 O ATOM 226 CB GLU A 15 70.752 -15.510 -3.256 1.00 0.92 C ATOM 227 CG GLU A 15 71.154 -16.690 -4.141 1.00 1.49 C ATOM 228 CD GLU A 15 72.560 -17.158 -3.764 1.00 1.88 C ATOM 229 OE1 GLU A 15 73.458 -16.333 -3.767 1.00 2.62 O ATOM 230 OE2 GLU A 15 72.715 -18.334 -3.478 1.00 2.07 O ATOM 0 H GLU A 15 72.694 -14.740 -4.414 1.00 0.85 H new ATOM 0 HA GLU A 15 69.859 -14.334 -4.866 1.00 0.84 H new ATOM 0 HB2 GLU A 15 71.491 -15.364 -2.468 1.00 0.92 H new ATOM 0 HB3 GLU A 15 69.801 -15.717 -2.766 1.00 0.92 H new ATOM 0 HG2 GLU A 15 70.443 -17.507 -4.020 1.00 1.49 H new ATOM 0 HG3 GLU A 15 71.127 -16.397 -5.190 1.00 1.49 H new ATOM 237 N GLN A 16 71.236 -12.499 -2.533 1.00 0.79 N ATOM 238 CA GLN A 16 70.949 -11.318 -1.667 1.00 0.74 C ATOM 239 C GLN A 16 70.715 -10.076 -2.530 1.00 0.68 C ATOM 240 O GLN A 16 69.945 -9.203 -2.184 1.00 0.67 O ATOM 241 CB GLN A 16 72.198 -11.146 -0.803 1.00 0.79 C ATOM 242 CG GLN A 16 72.476 -12.444 -0.041 1.00 0.88 C ATOM 243 CD GLN A 16 71.556 -12.525 1.180 1.00 1.70 C ATOM 244 OE1 GLN A 16 70.356 -12.384 1.061 1.00 2.53 O ATOM 245 NE2 GLN A 16 72.074 -12.747 2.357 1.00 2.20 N ATOM 0 H GLN A 16 72.203 -12.824 -2.518 1.00 0.79 H new ATOM 0 HA GLN A 16 70.053 -11.457 -1.062 1.00 0.74 H new ATOM 0 HB2 GLN A 16 73.053 -10.889 -1.428 1.00 0.79 H new ATOM 0 HB3 GLN A 16 72.057 -10.323 -0.102 1.00 0.79 H new ATOM 0 HG2 GLN A 16 72.311 -13.303 -0.692 1.00 0.88 H new ATOM 0 HG3 GLN A 16 73.519 -12.478 0.273 1.00 0.88 H new ATOM 0 HE21 GLN A 16 73.082 -12.865 2.456 1.00 2.20 H new ATOM 0 HE22 GLN A 16 71.471 -12.802 3.178 1.00 2.20 H new ATOM 254 N LYS A 17 71.375 -9.991 -3.653 1.00 0.69 N ATOM 255 CA LYS A 17 71.190 -8.807 -4.539 1.00 0.68 C ATOM 256 C LYS A 17 69.959 -9.001 -5.429 1.00 0.62 C ATOM 257 O LYS A 17 69.288 -8.055 -5.794 1.00 0.57 O ATOM 258 CB LYS A 17 72.462 -8.745 -5.388 1.00 0.79 C ATOM 259 CG LYS A 17 73.303 -7.540 -4.963 1.00 1.01 C ATOM 260 CD LYS A 17 73.545 -6.634 -6.172 1.00 1.53 C ATOM 261 CE LYS A 17 74.673 -7.214 -7.029 1.00 1.70 C ATOM 262 NZ LYS A 17 75.792 -6.239 -6.901 1.00 2.33 N ATOM 0 H LYS A 17 72.034 -10.690 -3.995 1.00 0.69 H new ATOM 0 HA LYS A 17 71.032 -7.888 -3.974 1.00 0.68 H new ATOM 0 HB2 LYS A 17 73.037 -9.663 -5.268 1.00 0.79 H new ATOM 0 HB3 LYS A 17 72.203 -8.667 -6.444 1.00 0.79 H new ATOM 0 HG2 LYS A 17 72.791 -6.985 -4.176 1.00 1.01 H new ATOM 0 HG3 LYS A 17 74.255 -7.875 -4.550 1.00 1.01 H new ATOM 0 HD2 LYS A 17 72.633 -6.547 -6.763 1.00 1.53 H new ATOM 0 HD3 LYS A 17 73.806 -5.629 -5.840 1.00 1.53 H new ATOM 0 HE2 LYS A 17 74.968 -8.203 -6.677 1.00 1.70 H new ATOM 0 HE3 LYS A 17 74.363 -7.325 -8.068 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 76.604 -6.567 -7.462 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 75.484 -5.309 -7.250 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 76.070 -6.159 -5.902 1.00 2.33 H new ATOM 276 N ASN A 18 69.660 -10.220 -5.782 1.00 0.65 N ATOM 277 CA ASN A 18 68.475 -10.479 -6.650 1.00 0.64 C ATOM 278 C ASN A 18 67.185 -10.368 -5.831 1.00 0.58 C ATOM 279 O ASN A 18 66.190 -9.845 -6.291 1.00 0.56 O ATOM 280 CB ASN A 18 68.671 -11.908 -7.162 1.00 0.73 C ATOM 281 CG ASN A 18 67.341 -12.463 -7.672 1.00 0.91 C ATOM 282 OD1 ASN A 18 66.652 -11.816 -8.435 1.00 1.55 O ATOM 283 ND2 ASN A 18 66.948 -13.644 -7.280 1.00 1.35 N ATOM 0 H ASN A 18 70.185 -11.050 -5.507 1.00 0.65 H new ATOM 0 HA ASN A 18 68.391 -9.761 -7.466 1.00 0.64 H new ATOM 0 HB2 ASN A 18 69.411 -11.919 -7.962 1.00 0.73 H new ATOM 0 HB3 ASN A 18 69.057 -12.541 -6.363 1.00 0.73 H new ATOM 0 HD21 ASN A 18 66.062 -14.024 -7.614 1.00 1.35 H new ATOM 0 HD22 ASN A 18 67.527 -14.187 -6.639 1.00 1.35 H new ATOM 290 N GLU A 19 67.194 -10.858 -4.622 1.00 0.62 N ATOM 291 CA GLU A 19 65.966 -10.782 -3.779 1.00 0.64 C ATOM 292 C GLU A 19 65.541 -9.323 -3.585 1.00 0.58 C ATOM 293 O GLU A 19 64.381 -9.029 -3.380 1.00 0.61 O ATOM 294 CB GLU A 19 66.364 -11.412 -2.442 1.00 0.75 C ATOM 295 CG GLU A 19 67.272 -10.453 -1.670 1.00 1.47 C ATOM 296 CD GLU A 19 66.438 -9.660 -0.662 1.00 2.01 C ATOM 297 OE1 GLU A 19 65.925 -8.619 -1.035 1.00 2.50 O ATOM 298 OE2 GLU A 19 66.325 -10.109 0.467 1.00 2.64 O ATOM 0 H GLU A 19 67.997 -11.307 -4.181 1.00 0.62 H new ATOM 0 HA GLU A 19 65.120 -11.296 -4.235 1.00 0.64 H new ATOM 0 HB2 GLU A 19 65.473 -11.636 -1.855 1.00 0.75 H new ATOM 0 HB3 GLU A 19 66.879 -12.357 -2.613 1.00 0.75 H new ATOM 0 HG2 GLU A 19 68.052 -11.011 -1.153 1.00 1.47 H new ATOM 0 HG3 GLU A 19 67.771 -9.773 -2.360 1.00 1.47 H new ATOM 305 N PHE A 20 66.470 -8.408 -3.647 1.00 0.58 N ATOM 306 CA PHE A 20 66.113 -6.971 -3.464 1.00 0.59 C ATOM 307 C PHE A 20 65.557 -6.386 -4.766 1.00 0.53 C ATOM 308 O PHE A 20 64.623 -5.610 -4.759 1.00 0.54 O ATOM 309 CB PHE A 20 67.423 -6.282 -3.082 1.00 0.67 C ATOM 310 CG PHE A 20 67.400 -5.947 -1.611 1.00 1.04 C ATOM 311 CD1 PHE A 20 66.324 -5.231 -1.072 1.00 1.87 C ATOM 312 CD2 PHE A 20 68.454 -6.352 -0.784 1.00 1.85 C ATOM 313 CE1 PHE A 20 66.300 -4.922 0.292 1.00 2.57 C ATOM 314 CE2 PHE A 20 68.432 -6.043 0.581 1.00 2.52 C ATOM 315 CZ PHE A 20 67.355 -5.328 1.119 1.00 2.67 C ATOM 0 H PHE A 20 67.459 -8.592 -3.816 1.00 0.58 H new ATOM 0 HA PHE A 20 65.343 -6.834 -2.705 1.00 0.59 H new ATOM 0 HB2 PHE A 20 68.268 -6.933 -3.305 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.555 -5.375 -3.671 1.00 0.67 H new ATOM 0 HD1 PHE A 20 65.511 -4.917 -1.710 1.00 1.87 H new ATOM 0 HD2 PHE A 20 69.285 -6.903 -1.199 1.00 1.85 H new ATOM 0 HE1 PHE A 20 65.469 -4.371 0.707 1.00 2.57 H new ATOM 0 HE2 PHE A 20 69.245 -6.356 1.219 1.00 2.52 H new ATOM 0 HZ PHE A 20 67.338 -5.089 2.172 1.00 2.67 H new ATOM 325 N LYS A 21 66.128 -6.749 -5.883 1.00 0.53 N ATOM 326 CA LYS A 21 65.632 -6.209 -7.181 1.00 0.53 C ATOM 327 C LYS A 21 64.155 -6.562 -7.375 1.00 0.50 C ATOM 328 O LYS A 21 63.367 -5.752 -7.821 1.00 0.63 O ATOM 329 CB LYS A 21 66.492 -6.890 -8.246 1.00 0.61 C ATOM 330 CG LYS A 21 65.918 -6.593 -9.632 1.00 0.68 C ATOM 331 CD LYS A 21 65.310 -7.870 -10.217 1.00 1.26 C ATOM 332 CE LYS A 21 64.029 -7.525 -10.979 1.00 1.85 C ATOM 333 NZ LYS A 21 64.122 -8.294 -12.251 1.00 1.94 N ATOM 0 H LYS A 21 66.915 -7.395 -5.953 1.00 0.53 H new ATOM 0 HA LYS A 21 65.705 -5.123 -7.231 1.00 0.53 H new ATOM 0 HB2 LYS A 21 67.520 -6.532 -8.182 1.00 0.61 H new ATOM 0 HB3 LYS A 21 66.518 -7.966 -8.074 1.00 0.61 H new ATOM 0 HG2 LYS A 21 65.158 -5.814 -9.564 1.00 0.68 H new ATOM 0 HG3 LYS A 21 66.702 -6.217 -10.289 1.00 0.68 H new ATOM 0 HD2 LYS A 21 66.024 -8.352 -10.885 1.00 1.26 H new ATOM 0 HD3 LYS A 21 65.091 -8.579 -9.419 1.00 1.26 H new ATOM 0 HE2 LYS A 21 63.143 -7.807 -10.410 1.00 1.85 H new ATOM 0 HE3 LYS A 21 63.958 -6.454 -11.169 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 63.278 -8.110 -12.830 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 64.972 -7.999 -12.773 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 64.181 -9.310 -12.039 1.00 1.94 H new ATOM 347 N ALA A 22 63.776 -7.765 -7.044 1.00 0.51 N ATOM 348 CA ALA A 22 62.350 -8.169 -7.212 1.00 0.60 C ATOM 349 C ALA A 22 61.450 -7.338 -6.292 1.00 0.51 C ATOM 350 O ALA A 22 60.278 -7.154 -6.557 1.00 0.50 O ATOM 351 CB ALA A 22 62.309 -9.644 -6.813 1.00 0.76 C ATOM 0 H ALA A 22 64.390 -8.486 -6.665 1.00 0.51 H new ATOM 0 HA ALA A 22 61.993 -8.011 -8.230 1.00 0.60 H new ATOM 0 HB1 ALA A 22 61.290 -10.019 -6.909 1.00 0.76 H new ATOM 0 HB2 ALA A 22 62.969 -10.216 -7.465 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.639 -9.751 -5.780 1.00 0.76 H new ATOM 357 N ALA A 23 61.986 -6.836 -5.213 1.00 0.51 N ATOM 358 CA ALA A 23 61.156 -6.021 -4.279 1.00 0.47 C ATOM 359 C ALA A 23 61.463 -4.530 -4.452 1.00 0.43 C ATOM 360 O ALA A 23 60.816 -3.682 -3.869 1.00 0.46 O ATOM 361 CB ALA A 23 61.558 -6.490 -2.881 1.00 0.58 C ATOM 0 H ALA A 23 62.961 -6.954 -4.938 1.00 0.51 H new ATOM 0 HA ALA A 23 60.089 -6.147 -4.463 1.00 0.47 H new ATOM 0 HB1 ALA A 23 60.990 -5.936 -2.134 1.00 0.58 H new ATOM 0 HB2 ALA A 23 61.349 -7.555 -2.780 1.00 0.58 H new ATOM 0 HB3 ALA A 23 62.623 -6.314 -2.730 1.00 0.58 H new ATOM 367 N PHE A 24 62.445 -4.202 -5.246 1.00 0.54 N ATOM 368 CA PHE A 24 62.790 -2.765 -5.450 1.00 0.56 C ATOM 369 C PHE A 24 62.375 -2.312 -6.852 1.00 0.56 C ATOM 370 O PHE A 24 61.835 -1.240 -7.034 1.00 0.60 O ATOM 371 CB PHE A 24 64.309 -2.697 -5.289 1.00 0.66 C ATOM 372 CG PHE A 24 64.807 -1.348 -5.751 1.00 0.60 C ATOM 373 CD1 PHE A 24 65.094 -1.133 -7.104 1.00 1.24 C ATOM 374 CD2 PHE A 24 64.984 -0.312 -4.825 1.00 1.45 C ATOM 375 CE1 PHE A 24 65.558 0.117 -7.531 1.00 1.24 C ATOM 376 CE2 PHE A 24 65.447 0.938 -5.253 1.00 1.61 C ATOM 377 CZ PHE A 24 65.735 1.152 -6.606 1.00 0.94 C ATOM 0 H PHE A 24 63.023 -4.865 -5.762 1.00 0.54 H new ATOM 0 HA PHE A 24 62.276 -2.113 -4.744 1.00 0.56 H new ATOM 0 HB2 PHE A 24 64.582 -2.859 -4.246 1.00 0.66 H new ATOM 0 HB3 PHE A 24 64.782 -3.489 -5.869 1.00 0.66 H new ATOM 0 HD1 PHE A 24 64.958 -1.931 -7.818 1.00 1.24 H new ATOM 0 HD2 PHE A 24 64.763 -0.478 -3.781 1.00 1.45 H new ATOM 0 HE1 PHE A 24 65.779 0.283 -8.575 1.00 1.24 H new ATOM 0 HE2 PHE A 24 65.582 1.737 -4.539 1.00 1.61 H new ATOM 0 HZ PHE A 24 66.094 2.116 -6.936 1.00 0.94 H new ATOM 387 N ASP A 25 62.624 -3.120 -7.846 1.00 0.58 N ATOM 388 CA ASP A 25 62.242 -2.732 -9.234 1.00 0.64 C ATOM 389 C ASP A 25 60.722 -2.596 -9.348 1.00 0.66 C ATOM 390 O ASP A 25 60.207 -2.067 -10.315 1.00 0.76 O ATOM 391 CB ASP A 25 62.746 -3.870 -10.120 1.00 0.68 C ATOM 392 CG ASP A 25 63.032 -3.336 -11.524 1.00 1.05 C ATOM 393 OD1 ASP A 25 62.082 -3.066 -12.239 1.00 1.78 O ATOM 394 OD2 ASP A 25 64.198 -3.202 -11.859 1.00 1.58 O ATOM 0 H ASP A 25 63.075 -4.031 -7.758 1.00 0.58 H new ATOM 0 HA ASP A 25 62.669 -1.772 -9.524 1.00 0.64 H new ATOM 0 HB2 ASP A 25 63.650 -4.304 -9.693 1.00 0.68 H new ATOM 0 HB3 ASP A 25 62.002 -4.665 -10.167 1.00 0.68 H new ATOM 399 N ILE A 26 59.998 -3.070 -8.372 1.00 0.61 N ATOM 400 CA ILE A 26 58.512 -2.969 -8.428 1.00 0.67 C ATOM 401 C ILE A 26 58.059 -1.540 -8.115 1.00 0.73 C ATOM 402 O ILE A 26 56.929 -1.169 -8.363 1.00 0.99 O ATOM 403 CB ILE A 26 58.014 -3.934 -7.357 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.315 -5.368 -7.795 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.504 -3.759 -7.175 1.00 0.83 C ATOM 406 CD1 ILE A 26 57.556 -6.343 -6.897 1.00 0.84 C ATOM 0 H ILE A 26 60.371 -3.523 -7.538 1.00 0.61 H new ATOM 0 HA ILE A 26 58.120 -3.212 -9.416 1.00 0.67 H new ATOM 0 HB ILE A 26 58.517 -3.727 -6.412 1.00 0.70 H new ATOM 0 HG12 ILE A 26 58.022 -5.511 -8.835 1.00 0.66 H new ATOM 0 HG13 ILE A 26 59.386 -5.561 -7.736 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.147 -4.448 -6.410 1.00 0.83 H new ATOM 0 HG22 ILE A 26 56.291 -2.735 -6.869 1.00 0.83 H new ATOM 0 HG23 ILE A 26 55.997 -3.969 -8.117 1.00 0.83 H new ATOM 0 HD11 ILE A 26 57.770 -7.366 -7.208 1.00 0.84 H new ATOM 0 HD12 ILE A 26 57.871 -6.205 -5.863 1.00 0.84 H new ATOM 0 HD13 ILE A 26 56.485 -6.155 -6.979 1.00 0.84 H new ATOM 418 N PHE A 27 58.929 -0.736 -7.568 1.00 0.57 N ATOM 419 CA PHE A 27 58.541 0.665 -7.238 1.00 0.63 C ATOM 420 C PHE A 27 59.534 1.655 -7.854 1.00 0.59 C ATOM 421 O PHE A 27 59.865 2.665 -7.264 1.00 0.67 O ATOM 422 CB PHE A 27 58.583 0.734 -5.712 1.00 0.70 C ATOM 423 CG PHE A 27 57.803 -0.424 -5.137 1.00 0.67 C ATOM 424 CD1 PHE A 27 56.425 -0.522 -5.366 1.00 1.44 C ATOM 425 CD2 PHE A 27 58.457 -1.401 -4.377 1.00 1.17 C ATOM 426 CE1 PHE A 27 55.702 -1.597 -4.835 1.00 1.65 C ATOM 427 CE2 PHE A 27 57.733 -2.475 -3.845 1.00 1.20 C ATOM 428 CZ PHE A 27 56.355 -2.573 -4.074 1.00 1.09 C ATOM 0 H PHE A 27 59.890 -0.988 -7.336 1.00 0.57 H new ATOM 0 HA PHE A 27 57.559 0.926 -7.632 1.00 0.63 H new ATOM 0 HB2 PHE A 27 59.615 0.700 -5.364 1.00 0.70 H new ATOM 0 HB3 PHE A 27 58.161 1.678 -5.368 1.00 0.70 H new ATOM 0 HD1 PHE A 27 55.920 0.232 -5.952 1.00 1.44 H new ATOM 0 HD2 PHE A 27 59.520 -1.326 -4.201 1.00 1.17 H new ATOM 0 HE1 PHE A 27 54.639 -1.673 -5.013 1.00 1.65 H new ATOM 0 HE2 PHE A 27 58.238 -3.228 -3.258 1.00 1.20 H new ATOM 0 HZ PHE A 27 55.797 -3.401 -3.664 1.00 1.09 H new ATOM 438 N VAL A 28 60.007 1.377 -9.038 1.00 0.58 N ATOM 439 CA VAL A 28 60.974 2.305 -9.694 1.00 0.59 C ATOM 440 C VAL A 28 60.264 3.124 -10.775 1.00 0.64 C ATOM 441 O VAL A 28 60.873 3.578 -11.724 1.00 0.73 O ATOM 442 CB VAL A 28 62.033 1.400 -10.322 1.00 0.60 C ATOM 443 CG1 VAL A 28 63.082 2.257 -11.030 1.00 1.41 C ATOM 444 CG2 VAL A 28 62.708 0.569 -9.229 1.00 1.37 C ATOM 0 H VAL A 28 59.766 0.547 -9.580 1.00 0.58 H new ATOM 0 HA VAL A 28 61.410 3.012 -8.988 1.00 0.59 H new ATOM 0 HB VAL A 28 61.559 0.735 -11.044 1.00 0.60 H new ATOM 0 HG11 VAL A 28 63.837 1.611 -11.478 1.00 1.41 H new ATOM 0 HG12 VAL A 28 62.602 2.849 -11.809 1.00 1.41 H new ATOM 0 HG13 VAL A 28 63.555 2.923 -10.308 1.00 1.41 H new ATOM 0 HG21 VAL A 28 63.463 -0.077 -9.677 1.00 1.37 H new ATOM 0 HG22 VAL A 28 63.181 1.234 -8.506 1.00 1.37 H new ATOM 0 HG23 VAL A 28 61.961 -0.043 -8.724 1.00 1.37 H new ATOM 454 N LEU A 29 58.980 3.312 -10.642 1.00 0.75 N ATOM 455 CA LEU A 29 58.229 4.097 -11.663 1.00 0.91 C ATOM 456 C LEU A 29 58.988 5.380 -12.012 1.00 1.10 C ATOM 457 O LEU A 29 58.887 6.378 -11.327 1.00 1.54 O ATOM 458 CB LEU A 29 56.891 4.429 -11.004 1.00 1.17 C ATOM 459 CG LEU A 29 57.138 5.052 -9.630 1.00 1.49 C ATOM 460 CD1 LEU A 29 56.418 6.398 -9.542 1.00 2.09 C ATOM 461 CD2 LEU A 29 56.601 4.115 -8.544 1.00 1.73 C ATOM 0 H LEU A 29 58.417 2.956 -9.869 1.00 0.75 H new ATOM 0 HA LEU A 29 58.099 3.543 -12.593 1.00 0.91 H new ATOM 0 HB2 LEU A 29 56.326 5.119 -11.631 1.00 1.17 H new ATOM 0 HB3 LEU A 29 56.290 3.525 -10.902 1.00 1.17 H new ATOM 0 HG LEU A 29 58.208 5.203 -9.486 1.00 1.49 H new ATOM 0 HD11 LEU A 29 56.594 6.842 -8.562 1.00 2.09 H new ATOM 0 HD12 LEU A 29 56.798 7.065 -10.316 1.00 2.09 H new ATOM 0 HD13 LEU A 29 55.348 6.248 -9.685 1.00 2.09 H new ATOM 0 HD21 LEU A 29 56.776 4.557 -7.563 1.00 1.73 H new ATOM 0 HD22 LEU A 29 55.531 3.965 -8.689 1.00 1.73 H new ATOM 0 HD23 LEU A 29 57.113 3.155 -8.606 1.00 1.73 H new ATOM 473 N GLY A 30 59.745 5.361 -13.075 1.00 1.47 N ATOM 474 CA GLY A 30 60.506 6.579 -13.470 1.00 1.89 C ATOM 475 C GLY A 30 61.575 6.882 -12.418 1.00 1.94 C ATOM 476 O GLY A 30 62.529 6.145 -12.258 1.00 2.46 O ATOM 0 H GLY A 30 59.869 4.554 -13.687 1.00 1.47 H new ATOM 0 HA2 GLY A 30 60.972 6.429 -14.444 1.00 1.89 H new ATOM 0 HA3 GLY A 30 59.828 7.427 -13.569 1.00 1.89 H new ATOM 480 N ALA A 31 61.426 7.962 -11.702 1.00 1.89 N ATOM 481 CA ALA A 31 62.437 8.312 -10.664 1.00 2.14 C ATOM 482 C ALA A 31 63.818 8.458 -11.307 1.00 2.28 C ATOM 483 O ALA A 31 64.725 7.696 -11.035 1.00 2.46 O ATOM 484 CB ALA A 31 62.422 7.138 -9.684 1.00 1.97 C ATOM 0 H ALA A 31 60.649 8.617 -11.790 1.00 1.89 H new ATOM 0 HA ALA A 31 62.214 9.257 -10.168 1.00 2.14 H new ATOM 0 HB1 ALA A 31 63.143 7.320 -8.887 1.00 1.97 H new ATOM 0 HB2 ALA A 31 61.425 7.035 -9.255 1.00 1.97 H new ATOM 0 HB3 ALA A 31 62.687 6.221 -10.210 1.00 1.97 H new ATOM 490 N GLU A 32 63.984 9.431 -12.161 1.00 2.73 N ATOM 491 CA GLU A 32 65.306 9.626 -12.824 1.00 2.98 C ATOM 492 C GLU A 32 65.609 8.449 -13.755 1.00 2.33 C ATOM 493 O GLU A 32 65.625 8.588 -14.961 1.00 2.34 O ATOM 494 CB GLU A 32 66.320 9.683 -11.680 1.00 3.71 C ATOM 495 CG GLU A 32 67.167 10.950 -11.812 1.00 4.48 C ATOM 496 CD GLU A 32 68.038 11.115 -10.565 1.00 5.14 C ATOM 497 OE1 GLU A 32 67.547 10.843 -9.482 1.00 5.38 O ATOM 498 OE2 GLU A 32 69.183 11.510 -10.714 1.00 5.71 O ATOM 0 H GLU A 32 63.262 10.100 -12.429 1.00 2.73 H new ATOM 0 HA GLU A 32 65.333 10.528 -13.435 1.00 2.98 H new ATOM 0 HB2 GLU A 32 65.803 9.677 -10.721 1.00 3.71 H new ATOM 0 HB3 GLU A 32 66.960 8.801 -11.703 1.00 3.71 H new ATOM 0 HG2 GLU A 32 67.794 10.890 -12.701 1.00 4.48 H new ATOM 0 HG3 GLU A 32 66.522 11.820 -11.936 1.00 4.48 H new ATOM 505 N ASP A 33 65.848 7.290 -13.203 1.00 2.13 N ATOM 506 CA ASP A 33 66.148 6.106 -14.059 1.00 2.25 C ATOM 507 C ASP A 33 66.566 4.917 -13.190 1.00 1.67 C ATOM 508 O ASP A 33 67.709 4.796 -12.794 1.00 2.00 O ATOM 509 CB ASP A 33 67.305 6.548 -14.955 1.00 3.20 C ATOM 510 CG ASP A 33 66.866 6.489 -16.420 1.00 3.87 C ATOM 511 OD1 ASP A 33 65.802 7.004 -16.721 1.00 4.49 O ATOM 512 OD2 ASP A 33 67.603 5.930 -17.216 1.00 4.16 O ATOM 0 H ASP A 33 65.849 7.112 -12.199 1.00 2.13 H new ATOM 0 HA ASP A 33 65.282 5.786 -14.639 1.00 2.25 H new ATOM 0 HB2 ASP A 33 67.613 7.561 -14.697 1.00 3.20 H new ATOM 0 HB3 ASP A 33 68.169 5.903 -14.797 1.00 3.20 H new ATOM 517 N GLY A 34 65.650 4.037 -12.891 1.00 1.10 N ATOM 518 CA GLY A 34 65.994 2.856 -12.049 1.00 1.18 C ATOM 519 C GLY A 34 66.127 3.289 -10.589 1.00 0.92 C ATOM 520 O GLY A 34 66.980 2.814 -9.865 1.00 1.03 O ATOM 0 H GLY A 34 64.677 4.085 -13.194 1.00 1.10 H new ATOM 0 HA2 GLY A 34 65.222 2.092 -12.143 1.00 1.18 H new ATOM 0 HA3 GLY A 34 66.927 2.411 -12.393 1.00 1.18 H new ATOM 524 N CYS A 35 65.289 4.187 -10.148 1.00 0.78 N ATOM 525 CA CYS A 35 65.364 4.649 -8.733 1.00 0.68 C ATOM 526 C CYS A 35 63.957 4.752 -8.138 1.00 0.69 C ATOM 527 O CYS A 35 62.970 4.701 -8.844 1.00 0.89 O ATOM 528 CB CYS A 35 66.020 6.028 -8.801 1.00 0.78 C ATOM 529 SG CYS A 35 67.531 5.932 -9.793 1.00 1.27 S ATOM 0 H CYS A 35 64.555 4.621 -10.707 1.00 0.78 H new ATOM 0 HA CYS A 35 65.927 3.961 -8.102 1.00 0.68 H new ATOM 0 HB2 CYS A 35 65.330 6.749 -9.239 1.00 0.78 H new ATOM 0 HB3 CYS A 35 66.254 6.381 -7.797 1.00 0.78 H new ATOM 0 HG CYS A 35 68.175 7.058 -9.712 1.00 1.27 H new ATOM 535 N ILE A 36 63.856 4.897 -6.844 1.00 0.57 N ATOM 536 CA ILE A 36 62.509 5.003 -6.212 1.00 0.57 C ATOM 537 C ILE A 36 62.429 6.257 -5.338 1.00 0.50 C ATOM 538 O ILE A 36 63.426 6.891 -5.055 1.00 0.60 O ATOM 539 CB ILE A 36 62.371 3.743 -5.358 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.352 3.812 -4.185 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.684 2.512 -6.210 1.00 0.72 C ATOM 542 CD1 ILE A 36 63.003 2.728 -3.164 1.00 0.75 C ATOM 0 H ILE A 36 64.645 4.947 -6.199 1.00 0.57 H new ATOM 0 HA ILE A 36 61.712 5.083 -6.952 1.00 0.57 H new ATOM 0 HB ILE A 36 61.352 3.673 -4.977 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.373 3.675 -4.542 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.307 4.795 -3.717 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.586 1.613 -5.601 1.00 0.72 H new ATOM 0 HG22 ILE A 36 61.987 2.462 -7.046 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.703 2.582 -6.591 1.00 0.72 H new ATOM 0 HD11 ILE A 36 63.701 2.777 -2.329 1.00 0.75 H new ATOM 0 HD12 ILE A 36 61.988 2.886 -2.798 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.070 1.748 -3.636 1.00 0.75 H new ATOM 554 N SER A 37 61.252 6.619 -4.910 1.00 0.54 N ATOM 555 CA SER A 37 61.110 7.832 -4.056 1.00 0.50 C ATOM 556 C SER A 37 61.459 7.497 -2.603 1.00 0.48 C ATOM 557 O SER A 37 61.559 6.346 -2.229 1.00 0.60 O ATOM 558 CB SER A 37 59.641 8.234 -4.176 1.00 0.55 C ATOM 559 OG SER A 37 59.435 9.467 -3.500 1.00 1.02 O ATOM 0 H SER A 37 60.382 6.128 -5.114 1.00 0.54 H new ATOM 0 HA SER A 37 61.777 8.636 -4.367 1.00 0.50 H new ATOM 0 HB2 SER A 37 59.363 8.331 -5.226 1.00 0.55 H new ATOM 0 HB3 SER A 37 59.004 7.460 -3.747 1.00 0.55 H new ATOM 0 HG SER A 37 58.494 9.729 -3.577 1.00 1.02 H new ATOM 565 N THR A 38 61.646 8.495 -1.781 1.00 0.48 N ATOM 566 CA THR A 38 61.989 8.229 -0.355 1.00 0.53 C ATOM 567 C THR A 38 60.752 7.751 0.408 1.00 0.53 C ATOM 568 O THR A 38 60.850 7.014 1.370 1.00 0.59 O ATOM 569 CB THR A 38 62.473 9.572 0.196 1.00 0.64 C ATOM 570 OG1 THR A 38 61.533 10.584 -0.137 1.00 0.62 O ATOM 571 CG2 THR A 38 63.832 9.917 -0.413 1.00 0.85 C ATOM 0 H THR A 38 61.576 9.480 -2.035 1.00 0.48 H new ATOM 0 HA THR A 38 62.745 7.451 -0.253 1.00 0.53 H new ATOM 0 HB THR A 38 62.570 9.506 1.280 1.00 0.64 H new ATOM 0 HG1 THR A 38 61.840 11.445 0.216 1.00 0.62 H new ATOM 0 HG21 THR A 38 64.175 10.874 -0.019 1.00 0.85 H new ATOM 0 HG22 THR A 38 64.553 9.140 -0.158 1.00 0.85 H new ATOM 0 HG23 THR A 38 63.739 9.983 -1.497 1.00 0.85 H new ATOM 579 N LYS A 39 59.587 8.163 -0.011 1.00 0.60 N ATOM 580 CA LYS A 39 58.345 7.730 0.690 1.00 0.73 C ATOM 581 C LYS A 39 57.915 6.345 0.199 1.00 0.66 C ATOM 582 O LYS A 39 56.987 5.754 0.714 1.00 0.87 O ATOM 583 CB LYS A 39 57.294 8.779 0.321 1.00 0.90 C ATOM 584 CG LYS A 39 57.753 10.155 0.808 1.00 1.78 C ATOM 585 CD LYS A 39 56.875 10.601 1.980 1.00 2.12 C ATOM 586 CE LYS A 39 57.764 11.020 3.153 1.00 2.70 C ATOM 587 NZ LYS A 39 58.496 12.225 2.669 1.00 2.96 N ATOM 0 H LYS A 39 59.441 8.781 -0.809 1.00 0.60 H new ATOM 0 HA LYS A 39 58.485 7.655 1.768 1.00 0.73 H new ATOM 0 HB2 LYS A 39 57.144 8.795 -0.759 1.00 0.90 H new ATOM 0 HB3 LYS A 39 56.335 8.523 0.772 1.00 0.90 H new ATOM 0 HG2 LYS A 39 58.797 10.113 1.117 1.00 1.78 H new ATOM 0 HG3 LYS A 39 57.690 10.880 -0.004 1.00 1.78 H new ATOM 0 HD2 LYS A 39 56.240 11.433 1.676 1.00 2.12 H new ATOM 0 HD3 LYS A 39 56.214 9.789 2.283 1.00 2.12 H new ATOM 0 HE2 LYS A 39 57.169 11.248 4.038 1.00 2.70 H new ATOM 0 HE3 LYS A 39 58.454 10.223 3.430 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 58.766 12.817 3.481 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 59.351 11.929 2.157 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 57.882 12.771 2.031 1.00 2.96 H new ATOM 601 N GLU A 40 58.582 5.824 -0.794 1.00 0.52 N ATOM 602 CA GLU A 40 58.210 4.479 -1.318 1.00 0.56 C ATOM 603 C GLU A 40 59.144 3.410 -0.745 1.00 0.52 C ATOM 604 O GLU A 40 58.721 2.323 -0.403 1.00 0.59 O ATOM 605 CB GLU A 40 58.377 4.584 -2.835 1.00 0.71 C ATOM 606 CG GLU A 40 57.155 5.285 -3.433 1.00 1.06 C ATOM 607 CD GLU A 40 57.094 5.011 -4.937 1.00 1.41 C ATOM 608 OE1 GLU A 40 57.043 3.850 -5.306 1.00 1.60 O ATOM 609 OE2 GLU A 40 57.097 5.968 -5.694 1.00 2.23 O ATOM 0 H GLU A 40 59.368 6.271 -1.265 1.00 0.52 H new ATOM 0 HA GLU A 40 57.196 4.194 -1.040 1.00 0.56 H new ATOM 0 HB2 GLU A 40 59.283 5.141 -3.075 1.00 0.71 H new ATOM 0 HB3 GLU A 40 58.489 3.591 -3.269 1.00 0.71 H new ATOM 0 HG2 GLU A 40 56.245 4.928 -2.950 1.00 1.06 H new ATOM 0 HG3 GLU A 40 57.212 6.358 -3.250 1.00 1.06 H new ATOM 616 N LEU A 41 60.410 3.706 -0.634 1.00 0.51 N ATOM 617 CA LEU A 41 61.362 2.701 -0.080 1.00 0.54 C ATOM 618 C LEU A 41 60.929 2.284 1.328 1.00 0.56 C ATOM 619 O LEU A 41 61.356 1.272 1.846 1.00 0.70 O ATOM 620 CB LEU A 41 62.715 3.415 -0.036 1.00 0.62 C ATOM 621 CG LEU A 41 62.650 4.583 0.948 1.00 0.64 C ATOM 622 CD1 LEU A 41 62.835 4.061 2.373 1.00 1.18 C ATOM 623 CD2 LEU A 41 63.763 5.583 0.624 1.00 1.40 C ATOM 0 H LEU A 41 60.826 4.598 -0.902 1.00 0.51 H new ATOM 0 HA LEU A 41 61.401 1.794 -0.683 1.00 0.54 H new ATOM 0 HB2 LEU A 41 63.496 2.717 0.265 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.978 3.778 -1.030 1.00 0.62 H new ATOM 0 HG LEU A 41 61.681 5.075 0.865 1.00 0.64 H new ATOM 0 HD11 LEU A 41 62.789 4.894 3.075 1.00 1.18 H new ATOM 0 HD12 LEU A 41 62.044 3.347 2.605 1.00 1.18 H new ATOM 0 HD13 LEU A 41 63.804 3.569 2.457 1.00 1.18 H new ATOM 0 HD21 LEU A 41 63.718 6.417 1.325 1.00 1.40 H new ATOM 0 HD22 LEU A 41 64.731 5.090 0.708 1.00 1.40 H new ATOM 0 HD23 LEU A 41 63.633 5.956 -0.392 1.00 1.40 H new ATOM 635 N GLY A 42 60.082 3.059 1.951 1.00 0.57 N ATOM 636 CA GLY A 42 59.620 2.707 3.324 1.00 0.60 C ATOM 637 C GLY A 42 58.894 1.362 3.288 1.00 0.55 C ATOM 638 O GLY A 42 59.374 0.373 3.808 1.00 0.57 O ATOM 0 H GLY A 42 59.691 3.920 1.569 1.00 0.57 H new ATOM 0 HA2 GLY A 42 60.471 2.655 4.003 1.00 0.60 H new ATOM 0 HA3 GLY A 42 58.954 3.482 3.705 1.00 0.60 H new ATOM 642 N LYS A 43 57.741 1.315 2.681 1.00 0.57 N ATOM 643 CA LYS A 43 56.985 0.031 2.613 1.00 0.58 C ATOM 644 C LYS A 43 57.888 -1.083 2.075 1.00 0.56 C ATOM 645 O LYS A 43 57.760 -2.233 2.447 1.00 0.60 O ATOM 646 CB LYS A 43 55.828 0.302 1.650 1.00 0.65 C ATOM 647 CG LYS A 43 56.356 0.358 0.215 1.00 0.99 C ATOM 648 CD LYS A 43 55.323 1.043 -0.682 1.00 1.28 C ATOM 649 CE LYS A 43 54.067 0.173 -0.772 1.00 1.53 C ATOM 650 NZ LYS A 43 52.958 1.050 -0.301 1.00 1.86 N ATOM 0 H LYS A 43 57.289 2.110 2.229 1.00 0.57 H new ATOM 0 HA LYS A 43 56.630 -0.294 3.591 1.00 0.58 H new ATOM 0 HB2 LYS A 43 55.075 -0.481 1.741 1.00 0.65 H new ATOM 0 HB3 LYS A 43 55.341 1.243 1.906 1.00 0.65 H new ATOM 0 HG2 LYS A 43 57.299 0.904 0.184 1.00 0.99 H new ATOM 0 HG3 LYS A 43 56.559 -0.649 -0.149 1.00 0.99 H new ATOM 0 HD2 LYS A 43 55.070 2.024 -0.280 1.00 1.28 H new ATOM 0 HD3 LYS A 43 55.739 1.204 -1.677 1.00 1.28 H new ATOM 0 HE2 LYS A 43 53.895 -0.168 -1.793 1.00 1.53 H new ATOM 0 HE3 LYS A 43 54.158 -0.717 -0.150 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 52.062 0.524 -0.334 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 53.146 1.353 0.676 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 52.891 1.886 -0.916 1.00 1.86 H new ATOM 664 N VAL A 44 58.802 -0.752 1.205 1.00 0.54 N ATOM 665 CA VAL A 44 59.713 -1.790 0.649 1.00 0.56 C ATOM 666 C VAL A 44 60.539 -2.416 1.777 1.00 0.59 C ATOM 667 O VAL A 44 60.810 -3.600 1.779 1.00 0.57 O ATOM 668 CB VAL A 44 60.610 -1.038 -0.337 1.00 0.59 C ATOM 669 CG1 VAL A 44 61.886 -1.841 -0.596 1.00 1.36 C ATOM 670 CG2 VAL A 44 59.859 -0.842 -1.656 1.00 1.36 C ATOM 0 H VAL A 44 58.957 0.194 0.855 1.00 0.54 H new ATOM 0 HA VAL A 44 59.177 -2.605 0.163 1.00 0.56 H new ATOM 0 HB VAL A 44 60.875 -0.069 0.085 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.520 -1.300 -1.299 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.423 -1.983 0.342 1.00 1.36 H new ATOM 0 HG13 VAL A 44 61.626 -2.813 -1.016 1.00 1.36 H new ATOM 0 HG21 VAL A 44 60.495 -0.307 -2.361 1.00 1.36 H new ATOM 0 HG22 VAL A 44 59.595 -1.814 -2.072 1.00 1.36 H new ATOM 0 HG23 VAL A 44 58.952 -0.265 -1.476 1.00 1.36 H new ATOM 680 N MET A 45 60.938 -1.628 2.739 1.00 0.74 N ATOM 681 CA MET A 45 61.741 -2.179 3.867 1.00 0.84 C ATOM 682 C MET A 45 60.857 -3.050 4.764 1.00 0.86 C ATOM 683 O MET A 45 61.338 -3.873 5.518 1.00 0.89 O ATOM 684 CB MET A 45 62.242 -0.953 4.632 1.00 0.96 C ATOM 685 CG MET A 45 63.370 -0.284 3.845 1.00 1.12 C ATOM 686 SD MET A 45 64.130 1.009 4.858 1.00 1.48 S ATOM 687 CE MET A 45 65.726 0.192 5.109 1.00 0.73 C ATOM 0 H MET A 45 60.743 -0.628 2.792 1.00 0.74 H new ATOM 0 HA MET A 45 62.563 -2.807 3.524 1.00 0.84 H new ATOM 0 HB2 MET A 45 61.425 -0.249 4.786 1.00 0.96 H new ATOM 0 HB3 MET A 45 62.599 -1.248 5.619 1.00 0.96 H new ATOM 0 HG2 MET A 45 64.118 -1.024 3.561 1.00 1.12 H new ATOM 0 HG3 MET A 45 62.979 0.145 2.922 1.00 1.12 H new ATOM 0 HE1 MET A 45 66.254 0.671 5.933 1.00 0.73 H new ATOM 0 HE2 MET A 45 65.563 -0.860 5.345 1.00 0.73 H new ATOM 0 HE3 MET A 45 66.323 0.272 4.200 1.00 0.73 H new ATOM 697 N ARG A 46 59.566 -2.875 4.686 1.00 0.94 N ATOM 698 CA ARG A 46 58.649 -3.693 5.530 1.00 1.04 C ATOM 699 C ARG A 46 58.417 -5.061 4.883 1.00 1.00 C ATOM 700 O ARG A 46 58.162 -6.041 5.554 1.00 1.04 O ATOM 701 CB ARG A 46 57.343 -2.898 5.584 1.00 1.21 C ATOM 702 CG ARG A 46 57.614 -1.510 6.168 1.00 1.04 C ATOM 703 CD ARG A 46 57.035 -1.429 7.582 1.00 1.77 C ATOM 704 NE ARG A 46 56.431 -0.070 7.672 1.00 2.29 N ATOM 705 CZ ARG A 46 56.402 0.557 8.815 1.00 2.76 C ATOM 706 NH1 ARG A 46 55.732 0.055 9.817 1.00 3.45 N ATOM 707 NH2 ARG A 46 57.041 1.686 8.958 1.00 3.10 N ATOM 0 H ARG A 46 59.106 -2.201 4.074 1.00 0.94 H new ATOM 0 HA ARG A 46 59.056 -3.875 6.525 1.00 1.04 H new ATOM 0 HB2 ARG A 46 56.919 -2.807 4.584 1.00 1.21 H new ATOM 0 HB3 ARG A 46 56.609 -3.424 6.195 1.00 1.21 H new ATOM 0 HG2 ARG A 46 58.686 -1.317 6.191 1.00 1.04 H new ATOM 0 HG3 ARG A 46 57.166 -0.744 5.536 1.00 1.04 H new ATOM 0 HD2 ARG A 46 56.288 -2.205 7.748 1.00 1.77 H new ATOM 0 HD3 ARG A 46 57.811 -1.567 8.335 1.00 1.77 H new ATOM 0 HE ARG A 46 56.040 0.370 6.839 1.00 2.29 H new ATOM 0 HH11 ARG A 46 55.232 -0.827 9.705 1.00 3.45 H new ATOM 0 HH12 ARG A 46 55.709 0.545 10.711 1.00 3.45 H new ATOM 0 HH21 ARG A 46 57.564 2.079 8.175 1.00 3.10 H new ATOM 0 HH22 ARG A 46 57.018 2.176 9.853 1.00 3.10 H new ATOM 721 N MET A 47 58.504 -5.133 3.583 1.00 0.98 N ATOM 722 CA MET A 47 58.288 -6.437 2.893 1.00 1.04 C ATOM 723 C MET A 47 59.395 -7.425 3.272 1.00 0.99 C ATOM 724 O MET A 47 59.193 -8.624 3.281 1.00 1.07 O ATOM 725 CB MET A 47 58.351 -6.109 1.401 1.00 1.19 C ATOM 726 CG MET A 47 56.936 -5.864 0.872 1.00 1.37 C ATOM 727 SD MET A 47 57.014 -4.772 -0.570 1.00 1.89 S ATOM 728 CE MET A 47 57.858 -5.923 -1.681 1.00 1.30 C ATOM 0 H MET A 47 58.715 -4.346 2.969 1.00 0.98 H new ATOM 0 HA MET A 47 57.341 -6.900 3.170 1.00 1.04 H new ATOM 0 HB2 MET A 47 58.970 -5.227 1.238 1.00 1.19 H new ATOM 0 HB3 MET A 47 58.817 -6.930 0.857 1.00 1.19 H new ATOM 0 HG2 MET A 47 56.468 -6.810 0.600 1.00 1.37 H new ATOM 0 HG3 MET A 47 56.318 -5.415 1.649 1.00 1.37 H new ATOM 0 HE1 MET A 47 57.901 -5.496 -2.683 1.00 1.30 H new ATOM 0 HE2 MET A 47 58.870 -6.102 -1.319 1.00 1.30 H new ATOM 0 HE3 MET A 47 57.312 -6.866 -1.712 1.00 1.30 H new ATOM 738 N LEU A 48 60.562 -6.933 3.583 1.00 0.93 N ATOM 739 CA LEU A 48 61.680 -7.847 3.959 1.00 0.98 C ATOM 740 C LEU A 48 61.659 -8.116 5.467 1.00 1.32 C ATOM 741 O LEU A 48 62.414 -8.921 5.974 1.00 1.80 O ATOM 742 CB LEU A 48 62.953 -7.098 3.565 1.00 1.21 C ATOM 743 CG LEU A 48 63.194 -7.257 2.063 1.00 1.28 C ATOM 744 CD1 LEU A 48 62.541 -6.095 1.315 1.00 2.11 C ATOM 745 CD2 LEU A 48 64.700 -7.259 1.785 1.00 1.86 C ATOM 0 H LEU A 48 60.791 -5.939 3.593 1.00 0.93 H new ATOM 0 HA LEU A 48 61.607 -8.815 3.463 1.00 0.98 H new ATOM 0 HB2 LEU A 48 62.860 -6.042 3.819 1.00 1.21 H new ATOM 0 HB3 LEU A 48 63.804 -7.487 4.124 1.00 1.21 H new ATOM 0 HG LEU A 48 62.760 -8.197 1.724 1.00 1.28 H new ATOM 0 HD11 LEU A 48 62.713 -6.209 0.245 1.00 2.11 H new ATOM 0 HD12 LEU A 48 61.469 -6.092 1.512 1.00 2.11 H new ATOM 0 HD13 LEU A 48 62.975 -5.154 1.654 1.00 2.11 H new ATOM 0 HD21 LEU A 48 64.872 -7.372 0.715 1.00 1.86 H new ATOM 0 HD22 LEU A 48 65.134 -6.319 2.125 1.00 1.86 H new ATOM 0 HD23 LEU A 48 65.167 -8.088 2.317 1.00 1.86 H new ATOM 757 N GLY A 49 60.797 -7.450 6.188 1.00 1.36 N ATOM 758 CA GLY A 49 60.730 -7.673 7.660 1.00 1.95 C ATOM 759 C GLY A 49 61.071 -6.376 8.396 1.00 1.43 C ATOM 760 O GLY A 49 60.411 -5.998 9.344 1.00 1.92 O ATOM 0 H GLY A 49 60.138 -6.763 5.822 1.00 1.36 H new ATOM 0 HA2 GLY A 49 59.732 -8.010 7.941 1.00 1.95 H new ATOM 0 HA3 GLY A 49 61.426 -8.460 7.950 1.00 1.95 H new ATOM 764 N GLN A 50 62.096 -5.691 7.968 1.00 1.21 N ATOM 765 CA GLN A 50 62.477 -4.417 8.646 1.00 1.01 C ATOM 766 C GLN A 50 61.227 -3.592 8.963 1.00 1.02 C ATOM 767 O GLN A 50 60.321 -3.489 8.162 1.00 1.23 O ATOM 768 CB GLN A 50 63.365 -3.683 7.640 1.00 1.43 C ATOM 769 CG GLN A 50 64.824 -3.760 8.094 1.00 1.58 C ATOM 770 CD GLN A 50 65.118 -2.614 9.064 1.00 2.45 C ATOM 771 OE1 GLN A 50 64.524 -2.529 10.121 1.00 3.08 O ATOM 772 NE2 GLN A 50 66.016 -1.722 8.748 1.00 3.14 N ATOM 0 H GLN A 50 62.686 -5.957 7.180 1.00 1.21 H new ATOM 0 HA GLN A 50 62.990 -4.590 9.592 1.00 1.01 H new ATOM 0 HB2 GLN A 50 63.257 -4.128 6.651 1.00 1.43 H new ATOM 0 HB3 GLN A 50 63.054 -2.642 7.556 1.00 1.43 H new ATOM 0 HG2 GLN A 50 65.015 -4.718 8.578 1.00 1.58 H new ATOM 0 HG3 GLN A 50 65.488 -3.700 7.232 1.00 1.58 H new ATOM 0 HE21 GLN A 50 66.515 -1.793 7.861 1.00 3.14 H new ATOM 0 HE22 GLN A 50 66.219 -0.954 9.388 1.00 3.14 H new ATOM 781 N ASN A 51 61.170 -3.004 10.127 1.00 0.98 N ATOM 782 CA ASN A 51 59.977 -2.189 10.491 1.00 1.08 C ATOM 783 C ASN A 51 60.392 -0.994 11.355 1.00 0.93 C ATOM 784 O ASN A 51 59.914 -0.831 12.460 1.00 1.15 O ATOM 785 CB ASN A 51 59.078 -3.138 11.286 1.00 1.52 C ATOM 786 CG ASN A 51 59.875 -3.751 12.439 1.00 1.82 C ATOM 787 OD1 ASN A 51 61.083 -3.635 12.487 1.00 2.25 O ATOM 788 ND2 ASN A 51 59.245 -4.403 13.378 1.00 2.47 N ATOM 0 H ASN A 51 61.897 -3.053 10.841 1.00 0.98 H new ATOM 0 HA ASN A 51 59.471 -1.785 9.614 1.00 1.08 H new ATOM 0 HB2 ASN A 51 58.214 -2.598 11.674 1.00 1.52 H new ATOM 0 HB3 ASN A 51 58.696 -3.925 10.635 1.00 1.52 H new ATOM 0 HD21 ASN A 51 59.767 -4.815 14.151 1.00 2.47 H new ATOM 0 HD22 ASN A 51 58.230 -4.501 13.338 1.00 2.47 H new ATOM 795 N PRO A 52 61.271 -0.194 10.816 1.00 0.72 N ATOM 796 CA PRO A 52 61.759 1.004 11.542 1.00 0.80 C ATOM 797 C PRO A 52 60.666 2.075 11.601 1.00 0.80 C ATOM 798 O PRO A 52 59.498 1.795 11.415 1.00 0.80 O ATOM 799 CB PRO A 52 62.941 1.476 10.700 1.00 0.85 C ATOM 800 CG PRO A 52 62.672 0.948 9.327 1.00 0.79 C ATOM 801 CD PRO A 52 61.888 -0.329 9.491 1.00 0.71 C ATOM 0 HA PRO A 52 62.035 0.797 12.576 1.00 0.80 H new ATOM 0 HB2 PRO A 52 63.015 2.564 10.697 1.00 0.85 H new ATOM 0 HB3 PRO A 52 63.883 1.094 11.093 1.00 0.85 H new ATOM 0 HG2 PRO A 52 62.109 1.673 8.739 1.00 0.79 H new ATOM 0 HG3 PRO A 52 63.605 0.762 8.796 1.00 0.79 H new ATOM 0 HD2 PRO A 52 61.136 -0.440 8.709 1.00 0.71 H new ATOM 0 HD3 PRO A 52 62.535 -1.205 9.438 1.00 0.71 H new ATOM 809 N THR A 53 61.036 3.300 11.860 1.00 0.87 N ATOM 810 CA THR A 53 60.017 4.386 11.932 1.00 0.92 C ATOM 811 C THR A 53 60.142 5.312 10.719 1.00 0.82 C ATOM 812 O THR A 53 61.050 5.173 9.923 1.00 0.76 O ATOM 813 CB THR A 53 60.336 5.145 13.221 1.00 1.08 C ATOM 814 OG1 THR A 53 61.666 4.851 13.623 1.00 1.26 O ATOM 815 CG2 THR A 53 59.362 4.719 14.320 1.00 1.54 C ATOM 0 H THR A 53 61.998 3.595 12.025 1.00 0.87 H new ATOM 0 HA THR A 53 58.999 3.996 11.930 1.00 0.92 H new ATOM 0 HB THR A 53 60.237 6.217 13.047 1.00 1.08 H new ATOM 0 HG1 THR A 53 61.873 5.337 14.448 1.00 1.26 H new ATOM 0 HG21 THR A 53 59.590 5.260 15.238 1.00 1.54 H new ATOM 0 HG22 THR A 53 58.342 4.945 14.010 1.00 1.54 H new ATOM 0 HG23 THR A 53 59.459 3.648 14.497 1.00 1.54 H new ATOM 823 N PRO A 54 59.219 6.229 10.622 1.00 0.82 N ATOM 824 CA PRO A 54 59.220 7.194 9.495 1.00 0.75 C ATOM 825 C PRO A 54 60.345 8.217 9.667 1.00 0.73 C ATOM 826 O PRO A 54 60.938 8.670 8.709 1.00 0.69 O ATOM 827 CB PRO A 54 57.853 7.865 9.598 1.00 0.83 C ATOM 828 CG PRO A 54 57.456 7.717 11.032 1.00 0.94 C ATOM 829 CD PRO A 54 58.100 6.453 11.542 1.00 0.93 C ATOM 0 HA PRO A 54 59.386 6.722 8.527 1.00 0.75 H new ATOM 0 HB2 PRO A 54 57.906 8.915 9.310 1.00 0.83 H new ATOM 0 HB3 PRO A 54 57.129 7.389 8.937 1.00 0.83 H new ATOM 0 HG2 PRO A 54 57.785 8.578 11.614 1.00 0.94 H new ATOM 0 HG3 PRO A 54 56.372 7.663 11.128 1.00 0.94 H new ATOM 0 HD2 PRO A 54 58.445 6.567 12.570 1.00 0.93 H new ATOM 0 HD3 PRO A 54 57.401 5.617 11.532 1.00 0.93 H new ATOM 837 N GLU A 55 60.647 8.582 10.883 1.00 0.85 N ATOM 838 CA GLU A 55 61.736 9.575 11.115 1.00 0.87 C ATOM 839 C GLU A 55 63.102 8.893 11.008 1.00 0.84 C ATOM 840 O GLU A 55 64.125 9.542 10.920 1.00 0.82 O ATOM 841 CB GLU A 55 61.505 10.092 12.535 1.00 1.02 C ATOM 842 CG GLU A 55 62.280 11.397 12.734 1.00 1.48 C ATOM 843 CD GLU A 55 61.337 12.585 12.538 1.00 2.02 C ATOM 844 OE1 GLU A 55 60.267 12.383 11.989 1.00 2.57 O ATOM 845 OE2 GLU A 55 61.701 13.678 12.940 1.00 2.53 O ATOM 0 H GLU A 55 60.188 8.236 11.726 1.00 0.85 H new ATOM 0 HA GLU A 55 61.724 10.381 10.381 1.00 0.87 H new ATOM 0 HB2 GLU A 55 60.441 10.259 12.704 1.00 1.02 H new ATOM 0 HB3 GLU A 55 61.831 9.348 13.262 1.00 1.02 H new ATOM 0 HG2 GLU A 55 62.715 11.425 13.733 1.00 1.48 H new ATOM 0 HG3 GLU A 55 63.106 11.454 12.025 1.00 1.48 H new ATOM 852 N GLU A 56 63.125 7.589 11.015 1.00 0.88 N ATOM 853 CA GLU A 56 64.426 6.867 10.914 1.00 0.91 C ATOM 854 C GLU A 56 64.889 6.811 9.456 1.00 0.80 C ATOM 855 O GLU A 56 66.069 6.815 9.169 1.00 0.81 O ATOM 856 CB GLU A 56 64.140 5.460 11.440 1.00 1.00 C ATOM 857 CG GLU A 56 64.565 5.366 12.906 1.00 1.44 C ATOM 858 CD GLU A 56 64.691 3.895 13.308 1.00 1.39 C ATOM 859 OE1 GLU A 56 65.256 3.138 12.535 1.00 1.79 O ATOM 860 OE2 GLU A 56 64.221 3.551 14.379 1.00 2.00 O ATOM 0 H GLU A 56 62.301 6.992 11.086 1.00 0.88 H new ATOM 0 HA GLU A 56 65.217 7.361 11.479 1.00 0.91 H new ATOM 0 HB2 GLU A 56 63.078 5.233 11.343 1.00 1.00 H new ATOM 0 HB3 GLU A 56 64.679 4.722 10.846 1.00 1.00 H new ATOM 0 HG2 GLU A 56 65.517 5.877 13.053 1.00 1.44 H new ATOM 0 HG3 GLU A 56 63.833 5.866 13.541 1.00 1.44 H new ATOM 867 N LEU A 57 63.967 6.758 8.533 1.00 0.75 N ATOM 868 CA LEU A 57 64.357 6.703 7.095 1.00 0.70 C ATOM 869 C LEU A 57 64.900 8.062 6.642 1.00 0.67 C ATOM 870 O LEU A 57 65.821 8.141 5.854 1.00 0.71 O ATOM 871 CB LEU A 57 63.067 6.365 6.346 1.00 0.69 C ATOM 872 CG LEU A 57 62.475 5.069 6.905 1.00 1.00 C ATOM 873 CD1 LEU A 57 60.978 5.016 6.596 1.00 1.51 C ATOM 874 CD2 LEU A 57 63.172 3.870 6.257 1.00 1.41 C ATOM 0 H LEU A 57 62.963 6.750 8.712 1.00 0.75 H new ATOM 0 HA LEU A 57 65.141 5.969 6.908 1.00 0.70 H new ATOM 0 HB2 LEU A 57 62.350 7.179 6.450 1.00 0.69 H new ATOM 0 HB3 LEU A 57 63.271 6.254 5.281 1.00 0.69 H new ATOM 0 HG LEU A 57 62.624 5.038 7.984 1.00 1.00 H new ATOM 0 HD11 LEU A 57 60.557 4.093 6.994 1.00 1.51 H new ATOM 0 HD12 LEU A 57 60.481 5.870 7.056 1.00 1.51 H new ATOM 0 HD13 LEU A 57 60.828 5.047 5.517 1.00 1.51 H new ATOM 0 HD21 LEU A 57 62.751 2.946 6.654 1.00 1.41 H new ATOM 0 HD22 LEU A 57 63.023 3.902 5.178 1.00 1.41 H new ATOM 0 HD23 LEU A 57 64.239 3.907 6.477 1.00 1.41 H new ATOM 886 N GLN A 58 64.338 9.131 7.137 1.00 0.68 N ATOM 887 CA GLN A 58 64.824 10.483 6.736 1.00 0.72 C ATOM 888 C GLN A 58 66.214 10.739 7.323 1.00 0.71 C ATOM 889 O GLN A 58 66.949 11.587 6.857 1.00 0.79 O ATOM 890 CB GLN A 58 63.806 11.463 7.324 1.00 0.79 C ATOM 891 CG GLN A 58 64.059 12.862 6.760 1.00 1.09 C ATOM 892 CD GLN A 58 62.894 13.266 5.854 1.00 1.67 C ATOM 893 OE1 GLN A 58 62.287 14.300 6.051 1.00 2.37 O ATOM 894 NE2 GLN A 58 62.555 12.488 4.864 1.00 2.20 N ATOM 0 H GLN A 58 63.564 9.127 7.801 1.00 0.68 H new ATOM 0 HA GLN A 58 64.910 10.586 5.654 1.00 0.72 H new ATOM 0 HB2 GLN A 58 62.793 11.140 7.083 1.00 0.79 H new ATOM 0 HB3 GLN A 58 63.886 11.478 8.411 1.00 0.79 H new ATOM 0 HG2 GLN A 58 64.167 13.580 7.573 1.00 1.09 H new ATOM 0 HG3 GLN A 58 64.993 12.875 6.197 1.00 1.09 H new ATOM 0 HE21 GLN A 58 63.065 11.620 4.699 1.00 2.20 H new ATOM 0 HE22 GLN A 58 61.780 12.747 4.254 1.00 2.20 H new ATOM 903 N GLU A 59 66.581 10.011 8.342 1.00 0.70 N ATOM 904 CA GLU A 59 67.924 10.214 8.959 1.00 0.72 C ATOM 905 C GLU A 59 69.000 9.520 8.121 1.00 0.73 C ATOM 906 O GLU A 59 70.177 9.799 8.249 1.00 0.75 O ATOM 907 CB GLU A 59 67.826 9.572 10.342 1.00 0.75 C ATOM 908 CG GLU A 59 67.932 10.656 11.417 1.00 1.37 C ATOM 909 CD GLU A 59 67.482 10.086 12.763 1.00 1.66 C ATOM 910 OE1 GLU A 59 68.224 9.300 13.330 1.00 2.02 O ATOM 911 OE2 GLU A 59 66.403 10.446 13.206 1.00 2.42 O ATOM 0 H GLU A 59 66.010 9.285 8.774 1.00 0.70 H new ATOM 0 HA GLU A 59 68.197 11.268 9.017 1.00 0.72 H new ATOM 0 HB2 GLU A 59 66.881 9.038 10.441 1.00 0.75 H new ATOM 0 HB3 GLU A 59 68.621 8.838 10.471 1.00 0.75 H new ATOM 0 HG2 GLU A 59 68.959 11.014 11.487 1.00 1.37 H new ATOM 0 HG3 GLU A 59 67.313 11.512 11.148 1.00 1.37 H new ATOM 918 N MET A 60 68.609 8.617 7.264 1.00 0.79 N ATOM 919 CA MET A 60 69.613 7.908 6.420 1.00 0.84 C ATOM 920 C MET A 60 69.526 8.394 4.972 1.00 0.82 C ATOM 921 O MET A 60 70.526 8.600 4.314 1.00 0.96 O ATOM 922 CB MET A 60 69.237 6.429 6.515 1.00 0.93 C ATOM 923 CG MET A 60 70.404 5.644 7.117 1.00 1.27 C ATOM 924 SD MET A 60 70.348 3.934 6.528 1.00 1.65 S ATOM 925 CE MET A 60 68.826 3.451 7.379 1.00 0.97 C ATOM 0 H MET A 60 67.639 8.340 7.112 1.00 0.79 H new ATOM 0 HA MET A 60 70.635 8.090 6.753 1.00 0.84 H new ATOM 0 HB2 MET A 60 68.347 6.308 7.132 1.00 0.93 H new ATOM 0 HB3 MET A 60 68.995 6.040 5.526 1.00 0.93 H new ATOM 0 HG2 MET A 60 71.350 6.106 6.836 1.00 1.27 H new ATOM 0 HG3 MET A 60 70.349 5.667 8.205 1.00 1.27 H new ATOM 0 HE1 MET A 60 68.728 2.366 7.361 1.00 0.97 H new ATOM 0 HE2 MET A 60 68.862 3.795 8.413 1.00 0.97 H new ATOM 0 HE3 MET A 60 67.970 3.901 6.877 1.00 0.97 H new ATOM 935 N ILE A 61 68.335 8.578 4.468 1.00 0.76 N ATOM 936 CA ILE A 61 68.187 9.051 3.062 1.00 0.78 C ATOM 937 C ILE A 61 68.820 10.437 2.903 1.00 0.77 C ATOM 938 O ILE A 61 69.514 10.707 1.943 1.00 0.82 O ATOM 939 CB ILE A 61 66.678 9.113 2.822 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.124 7.690 2.718 1.00 0.90 C ATOM 941 CG2 ILE A 61 66.394 9.865 1.519 1.00 0.89 C ATOM 942 CD1 ILE A 61 64.600 7.720 2.846 1.00 0.98 C ATOM 0 H ILE A 61 67.460 8.421 4.968 1.00 0.76 H new ATOM 0 HA ILE A 61 68.683 8.394 2.348 1.00 0.78 H new ATOM 0 HB ILE A 61 66.200 9.634 3.651 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.410 7.247 1.764 1.00 0.90 H new ATOM 0 HG13 ILE A 61 66.552 7.064 3.501 1.00 0.90 H new ATOM 0 HG21 ILE A 61 65.318 9.908 1.351 1.00 0.89 H new ATOM 0 HG22 ILE A 61 66.791 10.878 1.590 1.00 0.89 H new ATOM 0 HG23 ILE A 61 66.871 9.346 0.688 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.209 6.705 2.772 1.00 0.98 H new ATOM 0 HD12 ILE A 61 64.324 8.145 3.811 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.180 8.331 2.047 1.00 0.98 H new ATOM 954 N ASP A 62 68.588 11.318 3.839 1.00 0.82 N ATOM 955 CA ASP A 62 69.179 12.683 3.739 1.00 0.90 C ATOM 956 C ASP A 62 70.695 12.618 3.949 1.00 0.85 C ATOM 957 O ASP A 62 71.440 13.419 3.422 1.00 0.91 O ATOM 958 CB ASP A 62 68.516 13.486 4.859 1.00 1.03 C ATOM 959 CG ASP A 62 69.044 13.008 6.213 1.00 1.58 C ATOM 960 OD1 ASP A 62 69.300 11.822 6.341 1.00 2.06 O ATOM 961 OD2 ASP A 62 69.181 13.835 7.099 1.00 2.24 O ATOM 0 H ASP A 62 68.016 11.152 4.667 1.00 0.82 H new ATOM 0 HA ASP A 62 69.012 13.135 2.761 1.00 0.90 H new ATOM 0 HB2 ASP A 62 68.723 14.548 4.731 1.00 1.03 H new ATOM 0 HB3 ASP A 62 67.434 13.365 4.816 1.00 1.03 H new ATOM 966 N GLU A 63 71.155 11.667 4.716 1.00 0.84 N ATOM 967 CA GLU A 63 72.622 11.551 4.960 1.00 0.91 C ATOM 968 C GLU A 63 73.311 10.926 3.744 1.00 1.01 C ATOM 969 O GLU A 63 74.360 11.367 3.319 1.00 1.32 O ATOM 970 CB GLU A 63 72.750 10.638 6.178 1.00 0.99 C ATOM 971 CG GLU A 63 72.541 11.455 7.454 1.00 1.35 C ATOM 972 CD GLU A 63 73.125 10.696 8.647 1.00 1.55 C ATOM 973 OE1 GLU A 63 73.715 9.651 8.427 1.00 2.00 O ATOM 974 OE2 GLU A 63 72.975 11.173 9.760 1.00 2.14 O ATOM 0 H GLU A 63 70.580 10.966 5.184 1.00 0.84 H new ATOM 0 HA GLU A 63 73.092 12.520 5.128 1.00 0.91 H new ATOM 0 HB2 GLU A 63 72.014 9.836 6.123 1.00 0.99 H new ATOM 0 HB3 GLU A 63 73.733 10.168 6.192 1.00 0.99 H new ATOM 0 HG2 GLU A 63 73.022 12.429 7.358 1.00 1.35 H new ATOM 0 HG3 GLU A 63 71.478 11.639 7.611 1.00 1.35 H new ATOM 981 N VAL A 64 72.728 9.904 3.180 1.00 0.92 N ATOM 982 CA VAL A 64 73.349 9.254 1.991 1.00 1.07 C ATOM 983 C VAL A 64 72.946 9.997 0.718 1.00 1.13 C ATOM 984 O VAL A 64 73.750 10.221 -0.166 1.00 1.54 O ATOM 985 CB VAL A 64 72.788 7.832 1.982 1.00 1.23 C ATOM 986 CG1 VAL A 64 71.324 7.859 1.542 1.00 2.24 C ATOM 987 CG2 VAL A 64 73.597 6.972 1.008 1.00 1.42 C ATOM 0 H VAL A 64 71.849 9.491 3.491 1.00 0.92 H new ATOM 0 HA VAL A 64 74.438 9.262 2.034 1.00 1.07 H new ATOM 0 HB VAL A 64 72.856 7.410 2.985 1.00 1.23 H new ATOM 0 HG11 VAL A 64 70.927 6.844 1.537 1.00 2.24 H new ATOM 0 HG12 VAL A 64 70.747 8.471 2.235 1.00 2.24 H new ATOM 0 HG13 VAL A 64 71.253 8.282 0.540 1.00 2.24 H new ATOM 0 HG21 VAL A 64 73.198 5.958 1.001 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.530 7.396 0.006 1.00 1.42 H new ATOM 0 HG23 VAL A 64 74.640 6.949 1.323 1.00 1.42 H new ATOM 997 N ASP A 65 71.705 10.382 0.618 1.00 1.00 N ATOM 998 CA ASP A 65 71.246 11.114 -0.598 1.00 1.14 C ATOM 999 C ASP A 65 71.568 12.605 -0.469 1.00 1.45 C ATOM 1000 O ASP A 65 70.725 13.454 -0.681 1.00 1.74 O ATOM 1001 CB ASP A 65 69.734 10.894 -0.650 1.00 1.21 C ATOM 1002 CG ASP A 65 69.235 11.121 -2.079 1.00 2.09 C ATOM 1003 OD1 ASP A 65 70.058 11.414 -2.931 1.00 2.83 O ATOM 1004 OD2 ASP A 65 68.041 10.999 -2.296 1.00 2.63 O ATOM 0 H ASP A 65 70.987 10.222 1.325 1.00 1.00 H new ATOM 0 HA ASP A 65 71.739 10.759 -1.503 1.00 1.14 H new ATOM 0 HB2 ASP A 65 69.491 9.882 -0.325 1.00 1.21 H new ATOM 0 HB3 ASP A 65 69.232 11.578 0.035 1.00 1.21 H new ATOM 1043 N SER A 69 67.962 15.162 -3.769 1.00 1.42 N ATOM 1044 CA SER A 69 66.950 14.896 -4.832 1.00 1.79 C ATOM 1045 C SER A 69 65.659 14.359 -4.210 1.00 1.42 C ATOM 1046 O SER A 69 64.569 14.729 -4.600 1.00 1.97 O ATOM 1047 CB SER A 69 67.590 13.841 -5.733 1.00 2.79 C ATOM 1048 OG SER A 69 69.000 14.025 -5.742 1.00 3.72 O ATOM 0 HA SER A 69 66.685 15.797 -5.385 1.00 1.79 H new ATOM 0 HB2 SER A 69 67.344 12.842 -5.374 1.00 2.79 H new ATOM 0 HB3 SER A 69 67.194 13.922 -6.745 1.00 2.79 H new ATOM 0 HG SER A 69 69.254 14.641 -5.024 1.00 3.72 H new ATOM 1054 N GLY A 70 65.773 13.489 -3.244 1.00 1.01 N ATOM 1055 CA GLY A 70 64.553 12.929 -2.597 1.00 1.07 C ATOM 1056 C GLY A 70 64.275 11.531 -3.155 1.00 0.84 C ATOM 1057 O GLY A 70 63.176 11.022 -3.056 1.00 0.87 O ATOM 0 H GLY A 70 66.658 13.142 -2.875 1.00 1.01 H new ATOM 0 HA2 GLY A 70 64.691 12.880 -1.517 1.00 1.07 H new ATOM 0 HA3 GLY A 70 63.699 13.582 -2.780 1.00 1.07 H new ATOM 1061 N THR A 71 65.260 10.909 -3.741 1.00 0.70 N ATOM 1062 CA THR A 71 65.050 9.543 -4.304 1.00 0.55 C ATOM 1063 C THR A 71 66.336 8.718 -4.191 1.00 0.54 C ATOM 1064 O THR A 71 67.430 9.236 -4.295 1.00 0.72 O ATOM 1065 CB THR A 71 64.686 9.771 -5.772 1.00 0.60 C ATOM 1066 OG1 THR A 71 65.560 10.743 -6.329 1.00 0.83 O ATOM 1067 CG2 THR A 71 63.241 10.264 -5.870 1.00 0.81 C ATOM 0 H THR A 71 66.201 11.286 -3.855 1.00 0.70 H new ATOM 0 HA THR A 71 64.274 8.993 -3.772 1.00 0.55 H new ATOM 0 HB THR A 71 64.786 8.835 -6.322 1.00 0.60 H new ATOM 0 HG1 THR A 71 65.329 10.889 -7.270 1.00 0.83 H new ATOM 0 HG21 THR A 71 62.982 10.426 -6.916 1.00 0.81 H new ATOM 0 HG22 THR A 71 62.572 9.517 -5.442 1.00 0.81 H new ATOM 0 HG23 THR A 71 63.138 11.200 -5.321 1.00 0.81 H new ATOM 1075 N VAL A 72 66.210 7.436 -3.977 1.00 0.52 N ATOM 1076 CA VAL A 72 67.426 6.577 -3.855 1.00 0.65 C ATOM 1077 C VAL A 72 67.574 5.665 -5.072 1.00 0.56 C ATOM 1078 O VAL A 72 66.610 5.306 -5.718 1.00 0.57 O ATOM 1079 CB VAL A 72 67.223 5.726 -2.595 1.00 0.92 C ATOM 1080 CG1 VAL A 72 67.645 6.529 -1.371 1.00 1.52 C ATOM 1081 CG2 VAL A 72 65.753 5.318 -2.456 1.00 1.23 C ATOM 0 H VAL A 72 65.320 6.946 -3.881 1.00 0.52 H new ATOM 0 HA VAL A 72 68.327 7.188 -3.795 1.00 0.65 H new ATOM 0 HB VAL A 72 67.831 4.825 -2.675 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.502 5.927 -0.474 1.00 1.52 H new ATOM 0 HG12 VAL A 72 68.696 6.803 -1.460 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.039 7.433 -1.302 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.626 4.715 -1.557 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.133 6.211 -2.384 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.453 4.737 -3.328 1.00 1.23 H new ATOM 1091 N ASP A 73 68.780 5.273 -5.372 1.00 0.64 N ATOM 1092 CA ASP A 73 69.008 4.366 -6.528 1.00 0.70 C ATOM 1093 C ASP A 73 69.408 2.985 -6.009 1.00 0.70 C ATOM 1094 O ASP A 73 69.510 2.769 -4.818 1.00 0.71 O ATOM 1095 CB ASP A 73 70.156 5.001 -7.315 1.00 0.85 C ATOM 1096 CG ASP A 73 69.784 6.436 -7.692 1.00 1.25 C ATOM 1097 OD1 ASP A 73 68.706 6.865 -7.316 1.00 1.72 O ATOM 1098 OD2 ASP A 73 70.584 7.080 -8.350 1.00 1.91 O ATOM 0 H ASP A 73 69.621 5.544 -4.863 1.00 0.64 H new ATOM 0 HA ASP A 73 68.122 4.241 -7.150 1.00 0.70 H new ATOM 0 HB2 ASP A 73 71.067 4.995 -6.717 1.00 0.85 H new ATOM 0 HB3 ASP A 73 70.361 4.419 -8.214 1.00 0.85 H new ATOM 1103 N PHE A 74 69.635 2.046 -6.881 1.00 0.81 N ATOM 1104 CA PHE A 74 70.027 0.689 -6.410 1.00 0.87 C ATOM 1105 C PHE A 74 71.344 0.767 -5.635 1.00 0.76 C ATOM 1106 O PHE A 74 71.729 -0.159 -4.949 1.00 0.74 O ATOM 1107 CB PHE A 74 70.195 -0.143 -7.681 1.00 1.04 C ATOM 1108 CG PHE A 74 69.925 -1.596 -7.370 1.00 1.34 C ATOM 1109 CD1 PHE A 74 70.899 -2.366 -6.723 1.00 2.11 C ATOM 1110 CD2 PHE A 74 68.700 -2.172 -7.728 1.00 2.16 C ATOM 1111 CE1 PHE A 74 70.648 -3.713 -6.434 1.00 3.02 C ATOM 1112 CE2 PHE A 74 68.450 -3.519 -7.439 1.00 3.14 C ATOM 1113 CZ PHE A 74 69.423 -4.290 -6.792 1.00 3.42 C ATOM 0 H PHE A 74 69.567 2.156 -7.893 1.00 0.81 H new ATOM 0 HA PHE A 74 69.287 0.252 -5.739 1.00 0.87 H new ATOM 0 HB2 PHE A 74 69.509 0.209 -8.452 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.205 -0.026 -8.075 1.00 1.04 H new ATOM 0 HD1 PHE A 74 71.844 -1.921 -6.447 1.00 2.11 H new ATOM 0 HD2 PHE A 74 67.949 -1.578 -8.227 1.00 2.16 H new ATOM 0 HE1 PHE A 74 71.399 -4.307 -5.935 1.00 3.02 H new ATOM 0 HE2 PHE A 74 67.505 -3.964 -7.716 1.00 3.14 H new ATOM 0 HZ PHE A 74 69.229 -5.329 -6.569 1.00 3.42 H new ATOM 1123 N ASP A 75 72.037 1.867 -5.738 1.00 0.79 N ATOM 1124 CA ASP A 75 73.328 2.008 -5.007 1.00 0.78 C ATOM 1125 C ASP A 75 73.086 2.550 -3.595 1.00 0.71 C ATOM 1126 O ASP A 75 73.774 2.194 -2.658 1.00 0.67 O ATOM 1127 CB ASP A 75 74.144 3.004 -5.832 1.00 0.96 C ATOM 1128 CG ASP A 75 74.640 2.325 -7.110 1.00 1.50 C ATOM 1129 OD1 ASP A 75 74.870 1.126 -7.069 1.00 2.18 O ATOM 1130 OD2 ASP A 75 74.783 3.012 -8.107 1.00 1.99 O ATOM 0 H ASP A 75 71.765 2.675 -6.297 1.00 0.79 H new ATOM 0 HA ASP A 75 73.842 1.054 -4.894 1.00 0.78 H new ATOM 0 HB2 ASP A 75 73.533 3.871 -6.082 1.00 0.96 H new ATOM 0 HB3 ASP A 75 74.990 3.368 -5.249 1.00 0.96 H new ATOM 1135 N GLU A 76 72.116 3.410 -3.431 1.00 0.74 N ATOM 1136 CA GLU A 76 71.841 3.973 -2.079 1.00 0.72 C ATOM 1137 C GLU A 76 70.869 3.072 -1.311 1.00 0.61 C ATOM 1138 O GLU A 76 71.117 2.700 -0.181 1.00 0.60 O ATOM 1139 CB GLU A 76 71.206 5.340 -2.341 1.00 0.82 C ATOM 1140 CG GLU A 76 72.260 6.291 -2.913 1.00 0.96 C ATOM 1141 CD GLU A 76 71.856 7.737 -2.618 1.00 1.36 C ATOM 1142 OE1 GLU A 76 71.067 8.278 -3.374 1.00 2.14 O ATOM 1143 OE2 GLU A 76 72.344 8.279 -1.639 1.00 2.01 O ATOM 0 H GLU A 76 71.504 3.746 -4.174 1.00 0.74 H new ATOM 0 HA GLU A 76 72.746 4.049 -1.475 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.375 5.239 -3.039 1.00 0.82 H new ATOM 0 HB3 GLU A 76 70.798 5.747 -1.416 1.00 0.82 H new ATOM 0 HG2 GLU A 76 73.234 6.078 -2.474 1.00 0.96 H new ATOM 0 HG3 GLU A 76 72.355 6.141 -3.988 1.00 0.96 H new ATOM 1150 N PHE A 77 69.764 2.723 -1.910 1.00 0.60 N ATOM 1151 CA PHE A 77 68.779 1.852 -1.205 1.00 0.54 C ATOM 1152 C PHE A 77 69.391 0.481 -0.901 1.00 0.48 C ATOM 1153 O PHE A 77 68.821 -0.315 -0.182 1.00 0.55 O ATOM 1154 CB PHE A 77 67.607 1.708 -2.173 1.00 0.61 C ATOM 1155 CG PHE A 77 66.683 0.622 -1.678 1.00 0.67 C ATOM 1156 CD1 PHE A 77 65.820 0.875 -0.605 1.00 1.30 C ATOM 1157 CD2 PHE A 77 66.691 -0.637 -2.288 1.00 1.52 C ATOM 1158 CE1 PHE A 77 64.965 -0.133 -0.142 1.00 1.38 C ATOM 1159 CE2 PHE A 77 65.837 -1.644 -1.827 1.00 1.78 C ATOM 1160 CZ PHE A 77 64.974 -1.393 -0.753 1.00 1.25 C ATOM 0 H PHE A 77 69.500 3.002 -2.855 1.00 0.60 H new ATOM 0 HA PHE A 77 68.472 2.278 -0.250 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.068 2.652 -2.253 1.00 0.61 H new ATOM 0 HB3 PHE A 77 67.972 1.464 -3.171 1.00 0.61 H new ATOM 0 HD1 PHE A 77 65.814 1.847 -0.134 1.00 1.30 H new ATOM 0 HD2 PHE A 77 67.357 -0.831 -3.116 1.00 1.52 H new ATOM 0 HE1 PHE A 77 64.299 0.061 0.686 1.00 1.38 H new ATOM 0 HE2 PHE A 77 65.843 -2.615 -2.299 1.00 1.78 H new ATOM 0 HZ PHE A 77 64.316 -2.171 -0.396 1.00 1.25 H new ATOM 1170 N LEU A 78 70.545 0.197 -1.440 1.00 0.46 N ATOM 1171 CA LEU A 78 71.182 -1.121 -1.175 1.00 0.49 C ATOM 1172 C LEU A 78 72.159 -0.995 0.000 1.00 0.48 C ATOM 1173 O LEU A 78 72.240 -1.861 0.849 1.00 0.54 O ATOM 1174 CB LEU A 78 71.912 -1.463 -2.481 1.00 0.56 C ATOM 1175 CG LEU A 78 73.122 -2.352 -2.192 1.00 0.78 C ATOM 1176 CD1 LEU A 78 72.666 -3.616 -1.461 1.00 1.70 C ATOM 1177 CD2 LEU A 78 73.796 -2.740 -3.511 1.00 0.70 C ATOM 0 H LEU A 78 71.072 0.820 -2.051 1.00 0.46 H new ATOM 0 HA LEU A 78 70.468 -1.898 -0.901 1.00 0.49 H new ATOM 0 HB2 LEU A 78 71.232 -1.972 -3.164 1.00 0.56 H new ATOM 0 HB3 LEU A 78 72.234 -0.547 -2.977 1.00 0.56 H new ATOM 0 HG LEU A 78 73.831 -1.808 -1.567 1.00 0.78 H new ATOM 0 HD11 LEU A 78 73.529 -4.249 -1.256 1.00 1.70 H new ATOM 0 HD12 LEU A 78 72.187 -3.340 -0.522 1.00 1.70 H new ATOM 0 HD13 LEU A 78 71.957 -4.161 -2.084 1.00 1.70 H new ATOM 0 HD21 LEU A 78 74.659 -3.374 -3.306 1.00 0.70 H new ATOM 0 HD22 LEU A 78 73.087 -3.283 -4.136 1.00 0.70 H new ATOM 0 HD23 LEU A 78 74.123 -1.840 -4.031 1.00 0.70 H new ATOM 1189 N VAL A 79 72.898 0.079 0.055 1.00 0.46 N ATOM 1190 CA VAL A 79 73.865 0.260 1.175 1.00 0.51 C ATOM 1191 C VAL A 79 73.115 0.570 2.474 1.00 0.53 C ATOM 1192 O VAL A 79 73.419 0.035 3.520 1.00 0.64 O ATOM 1193 CB VAL A 79 74.732 1.449 0.763 1.00 0.54 C ATOM 1194 CG1 VAL A 79 75.805 1.691 1.826 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.405 1.149 -0.578 1.00 0.62 C ATOM 0 H VAL A 79 72.874 0.838 -0.626 1.00 0.46 H new ATOM 0 HA VAL A 79 74.460 -0.635 1.355 1.00 0.51 H new ATOM 0 HB VAL A 79 74.107 2.337 0.667 1.00 0.54 H new ATOM 0 HG11 VAL A 79 76.423 2.539 1.532 1.00 0.67 H new ATOM 0 HG12 VAL A 79 75.328 1.904 2.783 1.00 0.67 H new ATOM 0 HG13 VAL A 79 76.429 0.803 1.922 1.00 0.67 H new ATOM 0 HG21 VAL A 79 76.024 1.997 -0.872 1.00 0.62 H new ATOM 0 HG22 VAL A 79 76.029 0.261 -0.481 1.00 0.62 H new ATOM 0 HG23 VAL A 79 74.642 0.975 -1.337 1.00 0.62 H new ATOM 1205 N MET A 80 72.137 1.430 2.413 1.00 0.52 N ATOM 1206 CA MET A 80 71.368 1.772 3.644 1.00 0.60 C ATOM 1207 C MET A 80 70.859 0.497 4.321 1.00 0.62 C ATOM 1208 O MET A 80 70.749 0.425 5.528 1.00 0.71 O ATOM 1209 CB MET A 80 70.198 2.626 3.155 1.00 0.66 C ATOM 1210 CG MET A 80 70.618 4.097 3.123 1.00 1.11 C ATOM 1211 SD MET A 80 69.145 5.148 3.187 1.00 1.23 S ATOM 1212 CE MET A 80 68.422 4.625 1.613 1.00 0.86 C ATOM 0 H MET A 80 71.836 1.911 1.565 1.00 0.52 H new ATOM 0 HA MET A 80 71.977 2.299 4.379 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.889 2.303 2.161 1.00 0.66 H new ATOM 0 HB3 MET A 80 69.339 2.496 3.813 1.00 0.66 H new ATOM 0 HG2 MET A 80 71.272 4.318 3.967 1.00 1.11 H new ATOM 0 HG3 MET A 80 71.186 4.304 2.216 1.00 1.11 H new ATOM 0 HE1 MET A 80 67.544 5.234 1.396 1.00 0.86 H new ATOM 0 HE2 MET A 80 69.156 4.749 0.817 1.00 0.86 H new ATOM 0 HE3 MET A 80 68.130 3.577 1.677 1.00 0.86 H new ATOM 1222 N MET A 81 70.547 -0.508 3.550 1.00 0.61 N ATOM 1223 CA MET A 81 70.041 -1.778 4.148 1.00 0.72 C ATOM 1224 C MET A 81 71.203 -2.605 4.707 1.00 0.79 C ATOM 1225 O MET A 81 71.082 -3.246 5.733 1.00 0.91 O ATOM 1226 CB MET A 81 69.366 -2.516 2.991 1.00 0.75 C ATOM 1227 CG MET A 81 67.868 -2.641 3.270 1.00 1.01 C ATOM 1228 SD MET A 81 67.598 -3.842 4.596 1.00 1.71 S ATOM 1229 CE MET A 81 65.983 -4.439 4.039 1.00 1.66 C ATOM 0 H MET A 81 70.620 -0.506 2.533 1.00 0.61 H new ATOM 0 HA MET A 81 69.355 -1.599 4.976 1.00 0.72 H new ATOM 0 HB2 MET A 81 69.529 -1.977 2.058 1.00 0.75 H new ATOM 0 HB3 MET A 81 69.808 -3.505 2.870 1.00 0.75 H new ATOM 0 HG2 MET A 81 67.458 -1.672 3.554 1.00 1.01 H new ATOM 0 HG3 MET A 81 67.344 -2.956 2.367 1.00 1.01 H new ATOM 0 HE1 MET A 81 65.218 -4.143 4.757 1.00 1.66 H new ATOM 0 HE2 MET A 81 65.752 -4.008 3.065 1.00 1.66 H new ATOM 0 HE3 MET A 81 66.005 -5.526 3.959 1.00 1.66 H new ATOM 1239 N VAL A 82 72.327 -2.602 4.042 1.00 0.78 N ATOM 1240 CA VAL A 82 73.488 -3.394 4.540 1.00 0.90 C ATOM 1241 C VAL A 82 73.926 -2.885 5.918 1.00 0.94 C ATOM 1242 O VAL A 82 74.623 -3.562 6.648 1.00 1.13 O ATOM 1243 CB VAL A 82 74.591 -3.184 3.495 1.00 0.98 C ATOM 1244 CG1 VAL A 82 75.293 -1.843 3.727 1.00 1.83 C ATOM 1245 CG2 VAL A 82 75.617 -4.316 3.603 1.00 1.38 C ATOM 0 H VAL A 82 72.491 -2.086 3.177 1.00 0.78 H new ATOM 0 HA VAL A 82 73.249 -4.450 4.663 1.00 0.90 H new ATOM 0 HB VAL A 82 74.141 -3.184 2.502 1.00 0.98 H new ATOM 0 HG11 VAL A 82 76.074 -1.707 2.978 1.00 1.83 H new ATOM 0 HG12 VAL A 82 74.567 -1.034 3.646 1.00 1.83 H new ATOM 0 HG13 VAL A 82 75.739 -1.833 4.722 1.00 1.83 H new ATOM 0 HG21 VAL A 82 76.401 -4.168 2.861 1.00 1.38 H new ATOM 0 HG22 VAL A 82 76.056 -4.315 4.601 1.00 1.38 H new ATOM 0 HG23 VAL A 82 75.124 -5.272 3.425 1.00 1.38 H new ATOM 1255 N ARG A 83 73.523 -1.697 6.277 1.00 0.84 N ATOM 1256 CA ARG A 83 73.915 -1.144 7.606 1.00 0.93 C ATOM 1257 C ARG A 83 72.898 -1.562 8.672 1.00 0.93 C ATOM 1258 O ARG A 83 73.251 -1.866 9.794 1.00 1.23 O ATOM 1259 CB ARG A 83 73.908 0.374 7.422 1.00 0.95 C ATOM 1260 CG ARG A 83 74.799 1.021 8.484 1.00 1.53 C ATOM 1261 CD ARG A 83 76.262 0.655 8.219 1.00 1.50 C ATOM 1262 NE ARG A 83 76.723 -0.011 9.469 1.00 1.75 N ATOM 1263 CZ ARG A 83 77.809 -0.736 9.459 1.00 2.02 C ATOM 1264 NH1 ARG A 83 77.980 -1.642 8.536 1.00 2.44 N ATOM 1265 NH2 ARG A 83 78.723 -0.553 10.372 1.00 2.58 N ATOM 0 H ARG A 83 72.939 -1.084 5.708 1.00 0.84 H new ATOM 0 HA ARG A 83 74.888 -1.509 7.935 1.00 0.93 H new ATOM 0 HB2 ARG A 83 74.266 0.632 6.425 1.00 0.95 H new ATOM 0 HB3 ARG A 83 72.890 0.756 7.504 1.00 0.95 H new ATOM 0 HG2 ARG A 83 74.676 2.104 8.466 1.00 1.53 H new ATOM 0 HG3 ARG A 83 74.503 0.683 9.477 1.00 1.53 H new ATOM 0 HD2 ARG A 83 76.354 -0.010 7.360 1.00 1.50 H new ATOM 0 HD3 ARG A 83 76.858 1.541 8.001 1.00 1.50 H new ATOM 0 HE ARG A 83 76.191 0.099 10.332 1.00 1.75 H new ATOM 0 HH11 ARG A 83 77.265 -1.784 7.822 1.00 2.44 H new ATOM 0 HH12 ARG A 83 78.828 -2.208 8.528 1.00 2.44 H new ATOM 0 HH21 ARG A 83 78.589 0.156 11.093 1.00 2.58 H new ATOM 0 HH22 ARG A 83 79.572 -1.119 10.365 1.00 2.58 H new ATOM 1279 N CYS A 84 71.639 -1.580 8.330 1.00 0.81 N ATOM 1280 CA CYS A 84 70.601 -1.978 9.324 1.00 0.94 C ATOM 1281 C CYS A 84 70.393 -3.495 9.291 1.00 1.01 C ATOM 1282 O CYS A 84 69.298 -3.986 9.487 1.00 1.67 O ATOM 1283 CB CYS A 84 69.330 -1.254 8.882 1.00 1.20 C ATOM 1284 SG CYS A 84 69.240 0.360 9.695 1.00 1.56 S ATOM 0 H CYS A 84 71.284 -1.336 7.405 1.00 0.81 H new ATOM 0 HA CYS A 84 70.884 -1.717 10.344 1.00 0.94 H new ATOM 0 HB2 CYS A 84 69.328 -1.128 7.799 1.00 1.20 H new ATOM 0 HB3 CYS A 84 68.453 -1.850 9.135 1.00 1.20 H new ATOM 0 HG CYS A 84 68.160 0.977 9.317 1.00 1.56 H new ATOM 1290 N MET A 85 71.435 -4.241 9.043 1.00 1.25 N ATOM 1291 CA MET A 85 71.296 -5.725 8.995 1.00 1.43 C ATOM 1292 C MET A 85 71.205 -6.297 10.413 1.00 1.78 C ATOM 1293 O MET A 85 70.413 -7.176 10.687 1.00 2.66 O ATOM 1294 CB MET A 85 72.564 -6.220 8.296 1.00 1.49 C ATOM 1295 CG MET A 85 72.307 -6.338 6.793 1.00 1.71 C ATOM 1296 SD MET A 85 71.076 -7.630 6.491 1.00 1.93 S ATOM 1297 CE MET A 85 70.891 -7.354 4.712 1.00 1.59 C ATOM 0 H MET A 85 72.376 -3.887 8.872 1.00 1.25 H new ATOM 0 HA MET A 85 70.393 -6.037 8.470 1.00 1.43 H new ATOM 0 HB2 MET A 85 73.387 -5.530 8.482 1.00 1.49 H new ATOM 0 HB3 MET A 85 72.861 -7.187 8.702 1.00 1.49 H new ATOM 0 HG2 MET A 85 71.954 -5.385 6.398 1.00 1.71 H new ATOM 0 HG3 MET A 85 73.235 -6.576 6.272 1.00 1.71 H new ATOM 0 HE1 MET A 85 70.163 -8.057 4.308 1.00 1.59 H new ATOM 0 HE2 MET A 85 70.547 -6.335 4.536 1.00 1.59 H new ATOM 0 HE3 MET A 85 71.851 -7.503 4.219 1.00 1.59 H new