USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 537 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 46 SER OG : rot 81:sc= 1.39 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -151:sc= 1.29 (180deg=0.95) USER MOD Single : A 3 LYS NZ :NH3+ 170:sc=-0.00185 (180deg=-0.121) USER MOD Single : A 5 LYS NZ :NH3+ -138:sc= 2.23 (180deg=0.767) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 139:sc= 1.3 (180deg=0.61) USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.15) USER MOD Single : A 17 THR OG1 : rot 130:sc= -0.844 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -139:sc= 1.56 (180deg=-2.1!) USER MOD Single : A 21 LYS NZ :NH3+ 140:sc= 1.11 (180deg=0.64) USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0404) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 163:sc= -0.0987 (180deg=-0.515) USER MOD Single : A 31 SER OG : rot 35:sc= 0.433 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0175 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.745 X(o=-0.75,f=-0.35) USER MOD Single : A 39 LYS NZ :NH3+ -115:sc= 1.23 (180deg=-0.0373) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -144:sc= 1 (180deg=0.432) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -160:sc= 1.17 (180deg=0.927) USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 1.06 (180deg=0.825) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -4.597 -8.035 -3.049 1.00 1.32 N ATOM 37 CA LYS A 3 -4.702 -7.136 -1.917 1.00 1.00 C ATOM 38 C LYS A 3 -3.626 -7.432 -0.884 1.00 1.03 C ATOM 39 O LYS A 3 -2.677 -8.169 -1.151 1.00 1.56 O ATOM 40 CB LYS A 3 -6.101 -7.208 -1.308 1.00 1.17 C ATOM 41 CG LYS A 3 -7.169 -6.691 -2.257 1.00 1.44 C ATOM 42 CD LYS A 3 -8.534 -6.614 -1.598 1.00 1.73 C ATOM 43 CE LYS A 3 -9.567 -6.015 -2.541 1.00 2.34 C ATOM 44 NZ LYS A 3 -9.772 -6.846 -3.758 1.00 3.09 N ATOM 0 HA LYS A 3 -4.541 -6.117 -2.268 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -6.325 -8.240 -1.039 1.00 1.17 H new ATOM 0 HB3 LYS A 3 -6.124 -6.626 -0.386 1.00 1.17 H new ATOM 0 HG2 LYS A 3 -6.885 -5.702 -2.617 1.00 1.44 H new ATOM 0 HG3 LYS A 3 -7.225 -7.343 -3.129 1.00 1.44 H new ATOM 0 HD2 LYS A 3 -8.851 -7.612 -1.294 1.00 1.73 H new ATOM 0 HD3 LYS A 3 -8.470 -6.010 -0.693 1.00 1.73 H new ATOM 0 HE2 LYS A 3 -10.515 -5.906 -2.015 1.00 2.34 H new ATOM 0 HE3 LYS A 3 -9.249 -5.015 -2.836 1.00 2.34 H new ATOM 0 HZ1 LYS A 3 -10.597 -6.493 -4.284 1.00 3.09 H new ATOM 0 HZ2 LYS A 3 -8.927 -6.792 -4.362 1.00 3.09 H new ATOM 0 HZ3 LYS A 3 -9.936 -7.835 -3.480 1.00 3.09 H new ATOM 58 N VAL A 4 -3.781 -6.869 0.303 1.00 0.84 N ATOM 59 CA VAL A 4 -2.687 -6.816 1.253 1.00 0.90 C ATOM 60 C VAL A 4 -2.785 -7.918 2.294 1.00 0.82 C ATOM 61 O VAL A 4 -3.793 -8.052 2.987 1.00 0.85 O ATOM 62 CB VAL A 4 -2.639 -5.452 1.973 1.00 1.06 C ATOM 63 CG1 VAL A 4 -1.350 -5.300 2.769 1.00 1.46 C ATOM 64 CG2 VAL A 4 -2.793 -4.316 0.979 1.00 1.31 C ATOM 0 H VAL A 4 -4.650 -6.445 0.629 1.00 0.84 H new ATOM 0 HA VAL A 4 -1.773 -6.958 0.677 1.00 0.90 H new ATOM 0 HB VAL A 4 -3.474 -5.411 2.673 1.00 1.06 H new ATOM 0 HG11 VAL A 4 -1.342 -4.330 3.266 1.00 1.46 H new ATOM 0 HG12 VAL A 4 -1.288 -6.091 3.516 1.00 1.46 H new ATOM 0 HG13 VAL A 4 -0.496 -5.369 2.095 1.00 1.46 H new ATOM 0 HG21 VAL A 4 -2.756 -3.363 1.507 1.00 1.31 H new ATOM 0 HG22 VAL A 4 -1.984 -4.358 0.250 1.00 1.31 H new ATOM 0 HG23 VAL A 4 -3.750 -4.409 0.465 1.00 1.31 H new ATOM 74 N LYS A 5 -1.712 -8.682 2.408 1.00 0.79 N ATOM 75 CA LYS A 5 -1.594 -9.696 3.446 1.00 0.77 C ATOM 76 C LYS A 5 -0.735 -9.158 4.582 1.00 0.78 C ATOM 77 O LYS A 5 0.184 -9.826 5.057 1.00 1.45 O ATOM 78 CB LYS A 5 -0.984 -10.991 2.901 1.00 0.93 C ATOM 79 CG LYS A 5 -1.960 -11.865 2.132 1.00 1.38 C ATOM 80 CD LYS A 5 -1.336 -13.205 1.787 1.00 1.91 C ATOM 81 CE LYS A 5 -2.379 -14.206 1.304 1.00 2.43 C ATOM 82 NZ LYS A 5 -3.464 -14.400 2.306 1.00 2.70 N ATOM 0 H LYS A 5 -0.903 -8.619 1.790 1.00 0.79 H new ATOM 0 HA LYS A 5 -2.594 -9.928 3.812 1.00 0.77 H new ATOM 0 HB2 LYS A 5 -0.148 -10.739 2.249 1.00 0.93 H new ATOM 0 HB3 LYS A 5 -0.577 -11.566 3.733 1.00 0.93 H new ATOM 0 HG2 LYS A 5 -2.860 -12.021 2.727 1.00 1.38 H new ATOM 0 HG3 LYS A 5 -2.266 -11.357 1.218 1.00 1.38 H new ATOM 0 HD2 LYS A 5 -0.580 -13.066 1.014 1.00 1.91 H new ATOM 0 HD3 LYS A 5 -0.826 -13.605 2.663 1.00 1.91 H new ATOM 0 HE2 LYS A 5 -2.809 -13.858 0.365 1.00 2.43 H new ATOM 0 HE3 LYS A 5 -1.898 -15.162 1.099 1.00 2.43 H new ATOM 0 HZ1 LYS A 5 -3.701 -15.411 2.370 1.00 2.70 H new ATOM 0 HZ2 LYS A 5 -3.144 -14.060 3.235 1.00 2.70 H new ATOM 0 HZ3 LYS A 5 -4.307 -13.865 2.013 1.00 2.70 H new ATOM 96 N PHE A 6 -1.020 -7.924 4.977 1.00 0.58 N ATOM 97 CA PHE A 6 -0.302 -7.263 6.056 1.00 0.57 C ATOM 98 C PHE A 6 -0.432 -8.029 7.365 1.00 0.58 C ATOM 99 O PHE A 6 -1.336 -8.849 7.544 1.00 0.85 O ATOM 100 CB PHE A 6 -0.829 -5.839 6.248 1.00 0.59 C ATOM 101 CG PHE A 6 -2.207 -5.779 6.860 1.00 0.58 C ATOM 102 CD1 PHE A 6 -3.332 -6.071 6.106 1.00 0.60 C ATOM 103 CD2 PHE A 6 -2.369 -5.431 8.191 1.00 0.65 C ATOM 104 CE1 PHE A 6 -4.591 -6.023 6.671 1.00 0.65 C ATOM 105 CE2 PHE A 6 -3.628 -5.380 8.761 1.00 0.70 C ATOM 106 CZ PHE A 6 -4.739 -5.675 7.998 1.00 0.67 C ATOM 0 H PHE A 6 -1.755 -7.354 4.558 1.00 0.58 H new ATOM 0 HA PHE A 6 0.751 -7.232 5.778 1.00 0.57 H new ATOM 0 HB2 PHE A 6 -0.135 -5.287 6.882 1.00 0.59 H new ATOM 0 HB3 PHE A 6 -0.848 -5.335 5.282 1.00 0.59 H new ATOM 0 HD1 PHE A 6 -3.223 -6.339 5.065 1.00 0.60 H new ATOM 0 HD2 PHE A 6 -1.502 -5.197 8.791 1.00 0.65 H new ATOM 0 HE1 PHE A 6 -5.460 -6.258 6.074 1.00 0.65 H new ATOM 0 HE2 PHE A 6 -3.741 -5.110 9.801 1.00 0.70 H new ATOM 0 HZ PHE A 6 -5.724 -5.634 8.439 1.00 0.67 H new ATOM 116 N LYS A 7 0.462 -7.720 8.281 1.00 0.53 N ATOM 117 CA LYS A 7 0.483 -8.365 9.575 1.00 0.57 C ATOM 118 C LYS A 7 -0.162 -7.456 10.608 1.00 0.59 C ATOM 119 O LYS A 7 0.161 -6.270 10.693 1.00 0.63 O ATOM 120 CB LYS A 7 1.922 -8.700 9.966 1.00 0.70 C ATOM 121 CG LYS A 7 2.610 -9.608 8.961 1.00 1.34 C ATOM 122 CD LYS A 7 4.094 -9.762 9.248 1.00 1.71 C ATOM 123 CE LYS A 7 4.786 -10.530 8.132 1.00 2.66 C ATOM 124 NZ LYS A 7 6.263 -10.546 8.291 1.00 3.64 N ATOM 0 H LYS A 7 1.191 -7.018 8.150 1.00 0.53 H new ATOM 0 HA LYS A 7 -0.084 -9.295 9.529 1.00 0.57 H new ATOM 0 HB2 LYS A 7 2.492 -7.776 10.063 1.00 0.70 H new ATOM 0 HB3 LYS A 7 1.925 -9.181 10.944 1.00 0.70 H new ATOM 0 HG2 LYS A 7 2.135 -10.589 8.976 1.00 1.34 H new ATOM 0 HG3 LYS A 7 2.476 -9.204 7.958 1.00 1.34 H new ATOM 0 HD2 LYS A 7 4.552 -8.779 9.356 1.00 1.71 H new ATOM 0 HD3 LYS A 7 4.233 -10.284 10.195 1.00 1.71 H new ATOM 0 HE2 LYS A 7 4.414 -11.554 8.114 1.00 2.66 H new ATOM 0 HE3 LYS A 7 4.531 -10.081 7.172 1.00 2.66 H new ATOM 0 HZ1 LYS A 7 6.691 -11.080 7.508 1.00 3.64 H new ATOM 0 HZ2 LYS A 7 6.624 -9.571 8.282 1.00 3.64 H new ATOM 0 HZ3 LYS A 7 6.510 -10.998 9.194 1.00 3.64 H new ATOM 138 N TYR A 8 -1.085 -8.013 11.369 1.00 0.61 N ATOM 139 CA TYR A 8 -1.769 -7.275 12.411 1.00 0.67 C ATOM 140 C TYR A 8 -1.603 -8.011 13.730 1.00 0.85 C ATOM 141 O TYR A 8 -2.403 -8.884 14.068 1.00 0.86 O ATOM 142 CB TYR A 8 -3.254 -7.107 12.064 1.00 0.63 C ATOM 143 CG TYR A 8 -4.046 -6.350 13.106 1.00 0.71 C ATOM 144 CD1 TYR A 8 -3.791 -5.011 13.362 1.00 0.88 C ATOM 145 CD2 TYR A 8 -5.044 -6.978 13.837 1.00 0.82 C ATOM 146 CE1 TYR A 8 -4.508 -4.318 14.318 1.00 1.03 C ATOM 147 CE2 TYR A 8 -5.765 -6.294 14.796 1.00 0.97 C ATOM 148 CZ TYR A 8 -5.493 -4.963 15.033 1.00 1.03 C ATOM 149 OH TYR A 8 -6.206 -4.280 15.995 1.00 1.23 O ATOM 0 H TYR A 8 -1.380 -8.986 11.282 1.00 0.61 H new ATOM 0 HA TYR A 8 -1.334 -6.279 12.498 1.00 0.67 H new ATOM 0 HB2 TYR A 8 -3.337 -6.586 11.110 1.00 0.63 H new ATOM 0 HB3 TYR A 8 -3.699 -8.093 11.929 1.00 0.63 H new ATOM 0 HD1 TYR A 8 -3.019 -4.502 12.805 1.00 0.88 H new ATOM 0 HD2 TYR A 8 -5.261 -8.020 13.653 1.00 0.82 H new ATOM 0 HE1 TYR A 8 -4.297 -3.275 14.504 1.00 1.03 H new ATOM 0 HE2 TYR A 8 -6.538 -6.799 15.357 1.00 0.97 H new ATOM 0 HH TYR A 8 -6.863 -4.881 16.404 1.00 1.23 H new ATOM 159 N LYS A 9 -0.505 -7.694 14.419 1.00 1.11 N ATOM 160 CA LYS A 9 -0.143 -8.261 15.725 1.00 1.36 C ATOM 161 C LYS A 9 -0.213 -9.785 15.770 1.00 1.30 C ATOM 162 O LYS A 9 -0.423 -10.386 16.825 1.00 1.73 O ATOM 163 CB LYS A 9 -0.904 -7.606 16.891 1.00 1.70 C ATOM 164 CG LYS A 9 -2.420 -7.598 16.796 1.00 1.73 C ATOM 165 CD LYS A 9 -2.981 -8.967 17.094 1.00 2.19 C ATOM 166 CE LYS A 9 -4.481 -9.025 16.847 1.00 2.65 C ATOM 167 NZ LYS A 9 -5.075 -10.317 17.281 1.00 2.90 N ATOM 0 H LYS A 9 0.177 -7.017 14.077 1.00 1.11 H new ATOM 0 HA LYS A 9 0.909 -8.011 15.861 1.00 1.36 H new ATOM 0 HB2 LYS A 9 -0.623 -8.118 17.811 1.00 1.70 H new ATOM 0 HB3 LYS A 9 -0.563 -6.575 16.983 1.00 1.70 H new ATOM 0 HG2 LYS A 9 -2.829 -6.871 17.498 1.00 1.73 H new ATOM 0 HG3 LYS A 9 -2.725 -7.284 15.798 1.00 1.73 H new ATOM 0 HD2 LYS A 9 -2.481 -9.709 16.472 1.00 2.19 H new ATOM 0 HD3 LYS A 9 -2.772 -9.228 18.132 1.00 2.19 H new ATOM 0 HE2 LYS A 9 -4.967 -8.207 17.380 1.00 2.65 H new ATOM 0 HE3 LYS A 9 -4.678 -8.875 15.785 1.00 2.65 H new ATOM 0 HZ1 LYS A 9 -5.987 -10.140 17.749 1.00 2.90 H new ATOM 0 HZ2 LYS A 9 -5.224 -10.927 16.452 1.00 2.90 H new ATOM 0 HZ3 LYS A 9 -4.430 -10.789 17.946 1.00 2.90 H new ATOM 181 N GLY A 10 0.018 -10.399 14.627 1.00 1.10 N ATOM 182 CA GLY A 10 0.114 -11.842 14.564 1.00 1.12 C ATOM 183 C GLY A 10 -0.772 -12.461 13.500 1.00 0.98 C ATOM 184 O GLY A 10 -0.598 -13.627 13.152 1.00 1.11 O ATOM 0 H GLY A 10 0.142 -9.923 13.733 1.00 1.10 H new ATOM 0 HA2 GLY A 10 1.150 -12.121 14.371 1.00 1.12 H new ATOM 0 HA3 GLY A 10 -0.153 -12.259 15.535 1.00 1.12 H new ATOM 188 N GLU A 11 -1.717 -11.690 12.971 1.00 0.95 N ATOM 189 CA GLU A 11 -2.696 -12.236 12.038 1.00 1.20 C ATOM 190 C GLU A 11 -2.792 -11.416 10.753 1.00 1.00 C ATOM 191 O GLU A 11 -2.657 -10.195 10.772 1.00 1.38 O ATOM 192 CB GLU A 11 -4.067 -12.290 12.705 1.00 1.69 C ATOM 193 CG GLU A 11 -4.113 -13.174 13.937 1.00 2.37 C ATOM 194 CD GLU A 11 -5.416 -13.040 14.690 1.00 3.21 C ATOM 195 OE1 GLU A 11 -6.445 -13.544 14.195 1.00 3.60 O ATOM 196 OE2 GLU A 11 -5.421 -12.413 15.768 1.00 3.81 O ATOM 0 H GLU A 11 -1.825 -10.695 13.170 1.00 0.95 H new ATOM 0 HA GLU A 11 -2.364 -13.238 11.768 1.00 1.20 H new ATOM 0 HB2 GLU A 11 -4.366 -11.279 12.983 1.00 1.69 H new ATOM 0 HB3 GLU A 11 -4.799 -12.651 11.982 1.00 1.69 H new ATOM 0 HG2 GLU A 11 -3.972 -14.214 13.641 1.00 2.37 H new ATOM 0 HG3 GLU A 11 -3.286 -12.916 14.598 1.00 2.37 H new ATOM 203 N GLU A 12 -3.017 -12.116 9.646 1.00 0.98 N ATOM 204 CA GLU A 12 -3.298 -11.468 8.366 1.00 0.87 C ATOM 205 C GLU A 12 -4.800 -11.224 8.235 1.00 0.79 C ATOM 206 O GLU A 12 -5.598 -12.156 8.341 1.00 0.89 O ATOM 207 CB GLU A 12 -2.790 -12.308 7.185 1.00 1.13 C ATOM 208 CG GLU A 12 -3.277 -13.748 7.185 1.00 1.80 C ATOM 209 CD GLU A 12 -3.646 -14.240 5.800 1.00 2.11 C ATOM 210 OE1 GLU A 12 -2.781 -14.222 4.900 1.00 2.43 O ATOM 211 OE2 GLU A 12 -4.807 -14.662 5.607 1.00 2.30 O ATOM 0 H GLU A 12 -3.011 -13.135 9.608 1.00 0.98 H new ATOM 0 HA GLU A 12 -2.770 -10.515 8.342 1.00 0.87 H new ATOM 0 HB2 GLU A 12 -3.101 -11.832 6.255 1.00 1.13 H new ATOM 0 HB3 GLU A 12 -1.700 -12.306 7.195 1.00 1.13 H new ATOM 0 HG2 GLU A 12 -2.500 -14.390 7.599 1.00 1.80 H new ATOM 0 HG3 GLU A 12 -4.144 -13.834 7.840 1.00 1.80 H new ATOM 218 N LYS A 13 -5.193 -9.973 8.031 1.00 0.71 N ATOM 219 CA LYS A 13 -6.616 -9.633 7.979 1.00 0.75 C ATOM 220 C LYS A 13 -7.054 -9.149 6.602 1.00 0.73 C ATOM 221 O LYS A 13 -8.189 -8.710 6.452 1.00 1.21 O ATOM 222 CB LYS A 13 -6.953 -8.578 9.038 1.00 0.96 C ATOM 223 CG LYS A 13 -6.739 -9.060 10.464 1.00 0.86 C ATOM 224 CD LYS A 13 -7.534 -10.328 10.751 1.00 1.44 C ATOM 225 CE LYS A 13 -7.220 -10.891 12.130 1.00 2.02 C ATOM 226 NZ LYS A 13 -7.859 -12.216 12.350 1.00 2.73 N ATOM 0 H LYS A 13 -4.560 -9.184 7.900 1.00 0.71 H new ATOM 0 HA LYS A 13 -7.167 -10.550 8.189 1.00 0.75 H new ATOM 0 HB2 LYS A 13 -6.340 -7.693 8.866 1.00 0.96 H new ATOM 0 HB3 LYS A 13 -7.993 -8.273 8.918 1.00 0.96 H new ATOM 0 HG2 LYS A 13 -5.678 -9.249 10.630 1.00 0.86 H new ATOM 0 HG3 LYS A 13 -7.036 -8.277 11.162 1.00 0.86 H new ATOM 0 HD2 LYS A 13 -8.600 -10.113 10.680 1.00 1.44 H new ATOM 0 HD3 LYS A 13 -7.309 -11.078 9.992 1.00 1.44 H new ATOM 0 HE2 LYS A 13 -6.140 -10.986 12.246 1.00 2.02 H new ATOM 0 HE3 LYS A 13 -7.562 -10.192 12.893 1.00 2.02 H new ATOM 0 HZ1 LYS A 13 -7.463 -12.655 13.206 1.00 2.73 H new ATOM 0 HZ2 LYS A 13 -8.885 -12.091 12.468 1.00 2.73 H new ATOM 0 HZ3 LYS A 13 -7.677 -12.830 11.530 1.00 2.73 H new ATOM 240 N GLU A 14 -6.145 -9.266 5.621 1.00 0.55 N ATOM 241 CA GLU A 14 -6.396 -8.889 4.206 1.00 0.54 C ATOM 242 C GLU A 14 -7.430 -7.766 4.037 1.00 0.65 C ATOM 243 O GLU A 14 -8.634 -8.030 4.030 1.00 0.88 O ATOM 244 CB GLU A 14 -6.825 -10.121 3.407 1.00 0.60 C ATOM 245 CG GLU A 14 -5.817 -11.256 3.467 1.00 1.38 C ATOM 246 CD GLU A 14 -6.226 -12.440 2.622 1.00 1.90 C ATOM 247 OE1 GLU A 14 -7.296 -13.024 2.888 1.00 2.39 O ATOM 248 OE2 GLU A 14 -5.483 -12.792 1.687 1.00 2.38 O ATOM 0 H GLU A 14 -5.205 -9.627 5.781 1.00 0.55 H new ATOM 0 HA GLU A 14 -5.455 -8.496 3.822 1.00 0.54 H new ATOM 0 HB2 GLU A 14 -7.784 -10.475 3.785 1.00 0.60 H new ATOM 0 HB3 GLU A 14 -6.979 -9.835 2.366 1.00 0.60 H new ATOM 0 HG2 GLU A 14 -4.846 -10.893 3.131 1.00 1.38 H new ATOM 0 HG3 GLU A 14 -5.697 -11.577 4.502 1.00 1.38 H new ATOM 255 N VAL A 15 -6.992 -6.534 3.829 1.00 0.68 N ATOM 256 CA VAL A 15 -7.927 -5.413 3.799 1.00 0.82 C ATOM 257 C VAL A 15 -7.901 -4.721 2.438 1.00 0.72 C ATOM 258 O VAL A 15 -6.854 -4.639 1.796 1.00 1.19 O ATOM 259 CB VAL A 15 -7.615 -4.391 4.918 1.00 1.20 C ATOM 260 CG1 VAL A 15 -8.515 -3.167 4.821 1.00 1.53 C ATOM 261 CG2 VAL A 15 -7.775 -5.039 6.281 1.00 2.11 C ATOM 0 H VAL A 15 -6.014 -6.284 3.681 1.00 0.68 H new ATOM 0 HA VAL A 15 -8.926 -5.815 3.970 1.00 0.82 H new ATOM 0 HB VAL A 15 -6.583 -4.065 4.790 1.00 1.20 H new ATOM 0 HG11 VAL A 15 -8.269 -2.470 5.622 1.00 1.53 H new ATOM 0 HG12 VAL A 15 -8.365 -2.680 3.857 1.00 1.53 H new ATOM 0 HG13 VAL A 15 -9.557 -3.473 4.914 1.00 1.53 H new ATOM 0 HG21 VAL A 15 -7.553 -4.309 7.059 1.00 2.11 H new ATOM 0 HG22 VAL A 15 -8.799 -5.393 6.398 1.00 2.11 H new ATOM 0 HG23 VAL A 15 -7.088 -5.881 6.366 1.00 2.11 H new ATOM 271 N ASP A 16 -9.069 -4.254 1.999 1.00 0.76 N ATOM 272 CA ASP A 16 -9.186 -3.533 0.735 1.00 0.98 C ATOM 273 C ASP A 16 -8.544 -2.152 0.848 1.00 0.91 C ATOM 274 O ASP A 16 -8.854 -1.374 1.751 1.00 1.57 O ATOM 275 CB ASP A 16 -10.659 -3.414 0.290 1.00 1.33 C ATOM 276 CG ASP A 16 -11.476 -2.430 1.116 1.00 1.87 C ATOM 277 OD1 ASP A 16 -12.031 -2.833 2.166 1.00 2.08 O ATOM 278 OD2 ASP A 16 -11.590 -1.256 0.702 1.00 2.64 O ATOM 0 H ASP A 16 -9.949 -4.363 2.503 1.00 0.76 H new ATOM 0 HA ASP A 16 -8.655 -4.103 -0.027 1.00 0.98 H new ATOM 0 HB2 ASP A 16 -10.689 -3.108 -0.756 1.00 1.33 H new ATOM 0 HB3 ASP A 16 -11.126 -4.397 0.348 1.00 1.33 H new ATOM 283 N THR A 17 -7.620 -1.874 -0.063 1.00 0.98 N ATOM 284 CA THR A 17 -6.873 -0.627 -0.057 1.00 0.92 C ATOM 285 C THR A 17 -7.700 0.559 -0.544 1.00 0.85 C ATOM 286 O THR A 17 -7.216 1.692 -0.556 1.00 1.17 O ATOM 287 CB THR A 17 -5.606 -0.759 -0.912 1.00 1.36 C ATOM 288 OG1 THR A 17 -5.884 -1.571 -2.064 1.00 1.66 O ATOM 289 CG2 THR A 17 -4.480 -1.373 -0.102 1.00 1.86 C ATOM 0 H THR A 17 -7.369 -2.506 -0.824 1.00 0.98 H new ATOM 0 HA THR A 17 -6.602 -0.431 0.980 1.00 0.92 H new ATOM 0 HB THR A 17 -5.295 0.234 -1.237 1.00 1.36 H new ATOM 0 HG1 THR A 17 -5.572 -1.111 -2.871 1.00 1.66 H new ATOM 0 HG21 THR A 17 -3.589 -1.459 -0.724 1.00 1.86 H new ATOM 0 HG22 THR A 17 -4.262 -0.739 0.757 1.00 1.86 H new ATOM 0 HG23 THR A 17 -4.778 -2.363 0.244 1.00 1.86 H new ATOM 297 N SER A 18 -8.933 0.310 -0.954 1.00 0.73 N ATOM 298 CA SER A 18 -9.829 1.390 -1.324 1.00 0.86 C ATOM 299 C SER A 18 -10.285 2.116 -0.066 1.00 0.82 C ATOM 300 O SER A 18 -10.397 3.341 -0.038 1.00 1.13 O ATOM 301 CB SER A 18 -11.023 0.833 -2.095 1.00 1.16 C ATOM 302 OG SER A 18 -10.592 -0.016 -3.149 1.00 1.81 O ATOM 0 H SER A 18 -9.333 -0.624 -1.038 1.00 0.73 H new ATOM 0 HA SER A 18 -9.309 2.098 -1.969 1.00 0.86 H new ATOM 0 HB2 SER A 18 -11.672 0.278 -1.418 1.00 1.16 H new ATOM 0 HB3 SER A 18 -11.614 1.654 -2.502 1.00 1.16 H new ATOM 0 HG SER A 18 -11.372 -0.363 -3.629 1.00 1.81 H new ATOM 308 N LYS A 19 -10.521 1.346 0.982 1.00 0.68 N ATOM 309 CA LYS A 19 -10.792 1.897 2.297 1.00 0.75 C ATOM 310 C LYS A 19 -9.487 2.078 3.058 1.00 0.68 C ATOM 311 O LYS A 19 -9.310 1.560 4.156 1.00 1.06 O ATOM 312 CB LYS A 19 -11.749 0.989 3.068 1.00 0.99 C ATOM 313 CG LYS A 19 -13.210 1.184 2.688 1.00 1.25 C ATOM 314 CD LYS A 19 -14.044 -0.081 2.875 1.00 1.92 C ATOM 315 CE LYS A 19 -13.947 -0.665 4.280 1.00 2.22 C ATOM 316 NZ LYS A 19 -12.738 -1.515 4.455 1.00 3.07 N ATOM 0 H LYS A 19 -10.530 0.327 0.945 1.00 0.68 H new ATOM 0 HA LYS A 19 -11.268 2.871 2.185 1.00 0.75 H new ATOM 0 HB2 LYS A 19 -11.472 -0.050 2.892 1.00 0.99 H new ATOM 0 HB3 LYS A 19 -11.632 1.174 4.136 1.00 0.99 H new ATOM 0 HG2 LYS A 19 -13.634 1.986 3.293 1.00 1.25 H new ATOM 0 HG3 LYS A 19 -13.271 1.503 1.648 1.00 1.25 H new ATOM 0 HD2 LYS A 19 -15.087 0.144 2.654 1.00 1.92 H new ATOM 0 HD3 LYS A 19 -13.720 -0.831 2.154 1.00 1.92 H new ATOM 0 HE2 LYS A 19 -13.927 0.146 5.008 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -14.838 -1.257 4.487 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -12.986 -2.362 5.006 1.00 3.07 H new ATOM 0 HZ2 LYS A 19 -12.377 -1.802 3.523 1.00 3.07 H new ATOM 0 HZ3 LYS A 19 -12.005 -0.976 4.959 1.00 3.07 H new ATOM 330 N ILE A 20 -8.568 2.799 2.442 1.00 0.74 N ATOM 331 CA ILE A 20 -7.296 3.124 3.062 1.00 0.71 C ATOM 332 C ILE A 20 -7.429 4.438 3.837 1.00 0.78 C ATOM 333 O ILE A 20 -8.372 5.203 3.614 1.00 1.22 O ATOM 334 CB ILE A 20 -6.179 3.242 1.990 1.00 1.02 C ATOM 335 CG1 ILE A 20 -4.788 3.214 2.630 1.00 1.33 C ATOM 336 CG2 ILE A 20 -6.358 4.506 1.159 1.00 1.79 C ATOM 337 CD1 ILE A 20 -4.419 1.869 3.220 1.00 1.72 C ATOM 0 H ILE A 20 -8.681 3.175 1.501 1.00 0.74 H new ATOM 0 HA ILE A 20 -7.022 2.324 3.750 1.00 0.71 H new ATOM 0 HB ILE A 20 -6.263 2.379 1.330 1.00 1.02 H new ATOM 0 HG12 ILE A 20 -4.046 3.488 1.880 1.00 1.33 H new ATOM 0 HG13 ILE A 20 -4.743 3.970 3.414 1.00 1.33 H new ATOM 0 HG21 ILE A 20 -5.564 4.568 0.415 1.00 1.79 H new ATOM 0 HG22 ILE A 20 -7.325 4.477 0.657 1.00 1.79 H new ATOM 0 HG23 ILE A 20 -6.313 5.379 1.810 1.00 1.79 H new ATOM 0 HD11 ILE A 20 -3.421 1.924 3.655 1.00 1.72 H new ATOM 0 HD12 ILE A 20 -5.138 1.601 3.994 1.00 1.72 H new ATOM 0 HD13 ILE A 20 -4.431 1.112 2.436 1.00 1.72 H new ATOM 349 N LYS A 21 -6.499 4.695 4.742 1.00 0.62 N ATOM 350 CA LYS A 21 -6.481 5.935 5.503 1.00 0.88 C ATOM 351 C LYS A 21 -5.063 6.495 5.511 1.00 0.78 C ATOM 352 O LYS A 21 -4.578 6.987 6.532 1.00 1.17 O ATOM 353 CB LYS A 21 -6.983 5.729 6.934 1.00 1.13 C ATOM 354 CG LYS A 21 -8.475 5.441 7.045 1.00 1.52 C ATOM 355 CD LYS A 21 -8.929 5.447 8.495 1.00 1.92 C ATOM 356 CE LYS A 21 -10.432 5.273 8.619 1.00 2.23 C ATOM 357 NZ LYS A 21 -10.897 5.485 10.012 1.00 2.46 N ATOM 0 H LYS A 21 -5.739 4.054 4.970 1.00 0.62 H new ATOM 0 HA LYS A 21 -7.156 6.645 5.025 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -6.432 4.903 7.383 1.00 1.13 H new ATOM 0 HB3 LYS A 21 -6.753 6.620 7.518 1.00 1.13 H new ATOM 0 HG2 LYS A 21 -9.035 6.188 6.483 1.00 1.52 H new ATOM 0 HG3 LYS A 21 -8.696 4.473 6.596 1.00 1.52 H new ATOM 0 HD2 LYS A 21 -8.425 4.646 9.036 1.00 1.92 H new ATOM 0 HD3 LYS A 21 -8.632 6.385 8.964 1.00 1.92 H new ATOM 0 HE2 LYS A 21 -10.936 5.977 7.956 1.00 2.23 H new ATOM 0 HE3 LYS A 21 -10.710 4.272 8.291 1.00 2.23 H new ATOM 0 HZ1 LYS A 21 -11.793 6.012 10.002 1.00 2.46 H new ATOM 0 HZ2 LYS A 21 -11.042 4.564 10.474 1.00 2.46 H new ATOM 0 HZ3 LYS A 21 -10.182 6.027 10.538 1.00 2.46 H new ATOM 371 N LYS A 22 -4.414 6.381 4.352 1.00 0.67 N ATOM 372 CA LYS A 22 -3.081 6.933 4.103 1.00 0.70 C ATOM 373 C LYS A 22 -1.983 6.087 4.741 1.00 0.51 C ATOM 374 O LYS A 22 -2.206 5.362 5.714 1.00 0.50 O ATOM 375 CB LYS A 22 -2.981 8.401 4.549 1.00 1.07 C ATOM 376 CG LYS A 22 -3.536 9.393 3.531 1.00 1.44 C ATOM 377 CD LYS A 22 -4.977 9.082 3.151 1.00 2.03 C ATOM 378 CE LYS A 22 -5.490 10.014 2.067 1.00 2.77 C ATOM 379 NZ LYS A 22 -5.574 11.422 2.533 1.00 3.08 N ATOM 0 H LYS A 22 -4.806 5.894 3.546 1.00 0.67 H new ATOM 0 HA LYS A 22 -2.926 6.904 3.024 1.00 0.70 H new ATOM 0 HB2 LYS A 22 -3.517 8.522 5.490 1.00 1.07 H new ATOM 0 HB3 LYS A 22 -1.936 8.641 4.744 1.00 1.07 H new ATOM 0 HG2 LYS A 22 -3.480 10.401 3.941 1.00 1.44 H new ATOM 0 HG3 LYS A 22 -2.915 9.378 2.636 1.00 1.44 H new ATOM 0 HD2 LYS A 22 -5.047 8.050 2.806 1.00 2.03 H new ATOM 0 HD3 LYS A 22 -5.612 9.167 4.033 1.00 2.03 H new ATOM 0 HE2 LYS A 22 -4.831 9.958 1.200 1.00 2.77 H new ATOM 0 HE3 LYS A 22 -6.475 9.682 1.740 1.00 2.77 H new ATOM 0 HZ1 LYS A 22 -6.023 12.005 1.798 1.00 3.08 H new ATOM 0 HZ2 LYS A 22 -6.141 11.466 3.404 1.00 3.08 H new ATOM 0 HZ3 LYS A 22 -4.617 11.782 2.724 1.00 3.08 H new ATOM 393 N VAL A 23 -0.799 6.183 4.155 1.00 0.49 N ATOM 394 CA VAL A 23 0.316 5.314 4.499 1.00 0.49 C ATOM 395 C VAL A 23 1.534 6.146 4.894 1.00 0.51 C ATOM 396 O VAL A 23 1.757 7.225 4.348 1.00 0.63 O ATOM 397 CB VAL A 23 0.685 4.410 3.297 1.00 0.64 C ATOM 398 CG1 VAL A 23 1.837 3.476 3.631 1.00 1.56 C ATOM 399 CG2 VAL A 23 -0.526 3.614 2.831 1.00 1.29 C ATOM 0 H VAL A 23 -0.584 6.865 3.428 1.00 0.49 H new ATOM 0 HA VAL A 23 0.015 4.690 5.341 1.00 0.49 H new ATOM 0 HB VAL A 23 1.010 5.061 2.485 1.00 0.64 H new ATOM 0 HG11 VAL A 23 2.067 2.858 2.763 1.00 1.56 H new ATOM 0 HG12 VAL A 23 2.715 4.063 3.901 1.00 1.56 H new ATOM 0 HG13 VAL A 23 1.556 2.837 4.468 1.00 1.56 H new ATOM 0 HG21 VAL A 23 -0.245 2.986 1.986 1.00 1.29 H new ATOM 0 HG22 VAL A 23 -0.885 2.986 3.647 1.00 1.29 H new ATOM 0 HG23 VAL A 23 -1.317 4.300 2.526 1.00 1.29 H new ATOM 409 N ALA A 24 2.316 5.640 5.841 1.00 0.45 N ATOM 410 CA ALA A 24 3.516 6.322 6.298 1.00 0.51 C ATOM 411 C ALA A 24 4.602 5.299 6.614 1.00 0.46 C ATOM 412 O ALA A 24 4.303 4.172 7.002 1.00 0.44 O ATOM 413 CB ALA A 24 3.211 7.168 7.526 1.00 0.65 C ATOM 0 H ALA A 24 2.136 4.752 6.309 1.00 0.45 H new ATOM 0 HA ALA A 24 3.871 6.982 5.507 1.00 0.51 H new ATOM 0 HB1 ALA A 24 4.120 7.672 7.856 1.00 0.65 H new ATOM 0 HB2 ALA A 24 2.454 7.911 7.277 1.00 0.65 H new ATOM 0 HB3 ALA A 24 2.841 6.527 8.326 1.00 0.65 H new ATOM 419 N ARG A 25 5.853 5.677 6.432 1.00 0.60 N ATOM 420 CA ARG A 25 6.960 4.762 6.685 1.00 0.65 C ATOM 421 C ARG A 25 7.673 5.133 7.975 1.00 0.67 C ATOM 422 O ARG A 25 7.626 6.283 8.408 1.00 0.76 O ATOM 423 CB ARG A 25 7.968 4.801 5.539 1.00 0.86 C ATOM 424 CG ARG A 25 7.345 4.676 4.166 1.00 1.27 C ATOM 425 CD ARG A 25 8.412 4.657 3.089 1.00 1.80 C ATOM 426 NE ARG A 25 7.883 5.070 1.794 1.00 2.24 N ATOM 427 CZ ARG A 25 8.410 4.714 0.623 1.00 2.94 C ATOM 428 NH1 ARG A 25 9.398 3.828 0.566 1.00 3.40 N ATOM 429 NH2 ARG A 25 7.912 5.213 -0.495 1.00 3.61 N ATOM 0 H ARG A 25 6.132 6.605 6.112 1.00 0.60 H new ATOM 0 HA ARG A 25 6.545 3.757 6.769 1.00 0.65 H new ATOM 0 HB2 ARG A 25 8.525 5.737 5.590 1.00 0.86 H new ATOM 0 HB3 ARG A 25 8.688 3.994 5.675 1.00 0.86 H new ATOM 0 HG2 ARG A 25 6.752 3.763 4.113 1.00 1.27 H new ATOM 0 HG3 ARG A 25 6.663 5.509 3.994 1.00 1.27 H new ATOM 0 HD2 ARG A 25 9.229 5.319 3.375 1.00 1.80 H new ATOM 0 HD3 ARG A 25 8.829 3.653 3.008 1.00 1.80 H new ATOM 0 HE ARG A 25 7.058 5.669 1.784 1.00 2.24 H new ATOM 0 HH11 ARG A 25 9.761 3.413 1.424 1.00 3.40 H new ATOM 0 HH12 ARG A 25 9.794 3.563 -0.336 1.00 3.40 H new ATOM 0 HH21 ARG A 25 7.129 5.866 -0.458 1.00 3.61 H new ATOM 0 HH22 ARG A 25 8.310 4.945 -1.395 1.00 3.61 H new ATOM 443 N VAL A 26 8.317 4.152 8.585 1.00 0.70 N ATOM 444 CA VAL A 26 9.202 4.412 9.710 1.00 0.81 C ATOM 445 C VAL A 26 10.655 4.158 9.301 1.00 0.92 C ATOM 446 O VAL A 26 11.348 5.083 8.885 1.00 1.51 O ATOM 447 CB VAL A 26 8.819 3.590 10.963 1.00 0.95 C ATOM 448 CG1 VAL A 26 7.670 4.256 11.699 1.00 1.32 C ATOM 449 CG2 VAL A 26 8.432 2.170 10.587 1.00 1.07 C ATOM 0 H VAL A 26 8.244 3.169 8.321 1.00 0.70 H new ATOM 0 HA VAL A 26 9.090 5.461 9.986 1.00 0.81 H new ATOM 0 HB VAL A 26 9.690 3.550 11.617 1.00 0.95 H new ATOM 0 HG11 VAL A 26 7.411 3.667 12.579 1.00 1.32 H new ATOM 0 HG12 VAL A 26 7.968 5.258 12.008 1.00 1.32 H new ATOM 0 HG13 VAL A 26 6.805 4.322 11.039 1.00 1.32 H new ATOM 0 HG21 VAL A 26 8.167 1.615 11.487 1.00 1.07 H new ATOM 0 HG22 VAL A 26 7.578 2.193 9.910 1.00 1.07 H new ATOM 0 HG23 VAL A 26 9.273 1.682 10.094 1.00 1.07 H new ATOM 459 N GLY A 27 11.120 2.917 9.397 1.00 0.93 N ATOM 460 CA GLY A 27 12.431 2.589 8.880 1.00 0.96 C ATOM 461 C GLY A 27 12.384 1.489 7.834 1.00 0.89 C ATOM 462 O GLY A 27 12.474 1.757 6.636 1.00 0.98 O ATOM 0 H GLY A 27 10.615 2.139 9.821 1.00 0.93 H new ATOM 0 HA2 GLY A 27 12.880 3.482 8.444 1.00 0.96 H new ATOM 0 HA3 GLY A 27 13.075 2.277 9.702 1.00 0.96 H new ATOM 466 N LYS A 28 12.241 0.247 8.283 1.00 0.91 N ATOM 467 CA LYS A 28 12.250 -0.900 7.379 1.00 0.97 C ATOM 468 C LYS A 28 10.850 -1.443 7.132 1.00 0.77 C ATOM 469 O LYS A 28 10.671 -2.403 6.381 1.00 0.86 O ATOM 470 CB LYS A 28 13.138 -2.013 7.937 1.00 1.22 C ATOM 471 CG LYS A 28 14.623 -1.742 7.786 1.00 1.60 C ATOM 472 CD LYS A 28 15.034 -1.751 6.326 1.00 1.99 C ATOM 473 CE LYS A 28 16.501 -1.407 6.148 1.00 2.47 C ATOM 474 NZ LYS A 28 16.923 -1.555 4.733 1.00 3.21 N ATOM 0 H LYS A 28 12.117 0.008 9.267 1.00 0.91 H new ATOM 0 HA LYS A 28 12.651 -0.553 6.426 1.00 0.97 H new ATOM 0 HB2 LYS A 28 12.909 -2.153 8.993 1.00 1.22 H new ATOM 0 HB3 LYS A 28 12.895 -2.948 7.431 1.00 1.22 H new ATOM 0 HG2 LYS A 28 14.867 -0.777 8.230 1.00 1.60 H new ATOM 0 HG3 LYS A 28 15.191 -2.496 8.331 1.00 1.60 H new ATOM 0 HD2 LYS A 28 14.838 -2.735 5.900 1.00 1.99 H new ATOM 0 HD3 LYS A 28 14.424 -1.037 5.773 1.00 1.99 H new ATOM 0 HE2 LYS A 28 16.679 -0.383 6.477 1.00 2.47 H new ATOM 0 HE3 LYS A 28 17.108 -2.055 6.780 1.00 2.47 H new ATOM 0 HZ1 LYS A 28 17.930 -1.313 4.644 1.00 3.21 H new ATOM 0 HZ2 LYS A 28 16.775 -2.538 4.428 1.00 3.21 H new ATOM 0 HZ3 LYS A 28 16.360 -0.918 4.134 1.00 3.21 H new ATOM 488 N MET A 29 9.855 -0.828 7.752 1.00 0.60 N ATOM 489 CA MET A 29 8.489 -1.317 7.632 1.00 0.52 C ATOM 490 C MET A 29 7.533 -0.190 7.269 1.00 0.43 C ATOM 491 O MET A 29 7.880 0.993 7.345 1.00 0.47 O ATOM 492 CB MET A 29 8.030 -2.012 8.920 1.00 0.60 C ATOM 493 CG MET A 29 7.939 -1.094 10.128 1.00 1.39 C ATOM 494 SD MET A 29 7.309 -1.928 11.597 1.00 1.86 S ATOM 495 CE MET A 29 8.563 -3.182 11.848 1.00 2.42 C ATOM 0 H MET A 29 9.964 0.001 8.337 1.00 0.60 H new ATOM 0 HA MET A 29 8.476 -2.051 6.827 1.00 0.52 H new ATOM 0 HB2 MET A 29 7.053 -2.463 8.747 1.00 0.60 H new ATOM 0 HB3 MET A 29 8.721 -2.824 9.147 1.00 0.60 H new ATOM 0 HG2 MET A 29 8.927 -0.686 10.343 1.00 1.39 H new ATOM 0 HG3 MET A 29 7.291 -0.251 9.889 1.00 1.39 H new ATOM 0 HE1 MET A 29 8.487 -3.575 12.862 1.00 2.42 H new ATOM 0 HE2 MET A 29 8.416 -3.992 11.133 1.00 2.42 H new ATOM 0 HE3 MET A 29 9.550 -2.744 11.702 1.00 2.42 H new ATOM 505 N VAL A 30 6.328 -0.579 6.898 1.00 0.52 N ATOM 506 CA VAL A 30 5.311 0.344 6.429 1.00 0.45 C ATOM 507 C VAL A 30 4.139 0.365 7.398 1.00 0.44 C ATOM 508 O VAL A 30 3.511 -0.663 7.648 1.00 0.61 O ATOM 509 CB VAL A 30 4.810 -0.049 5.019 1.00 0.56 C ATOM 510 CG1 VAL A 30 3.644 0.827 4.587 1.00 0.54 C ATOM 511 CG2 VAL A 30 5.943 0.036 4.005 1.00 0.61 C ATOM 0 H VAL A 30 6.025 -1.553 6.914 1.00 0.52 H new ATOM 0 HA VAL A 30 5.757 1.337 6.374 1.00 0.45 H new ATOM 0 HB VAL A 30 4.459 -1.080 5.064 1.00 0.56 H new ATOM 0 HG11 VAL A 30 3.313 0.528 3.592 1.00 0.54 H new ATOM 0 HG12 VAL A 30 2.822 0.712 5.293 1.00 0.54 H new ATOM 0 HG13 VAL A 30 3.961 1.870 4.566 1.00 0.54 H new ATOM 0 HG21 VAL A 30 5.571 -0.244 3.019 1.00 0.61 H new ATOM 0 HG22 VAL A 30 6.326 1.056 3.972 1.00 0.61 H new ATOM 0 HG23 VAL A 30 6.744 -0.643 4.297 1.00 0.61 H new ATOM 521 N SER A 31 3.862 1.531 7.950 1.00 0.35 N ATOM 522 CA SER A 31 2.764 1.691 8.879 1.00 0.39 C ATOM 523 C SER A 31 1.631 2.471 8.219 1.00 0.37 C ATOM 524 O SER A 31 1.724 3.684 8.032 1.00 0.48 O ATOM 525 CB SER A 31 3.261 2.402 10.140 1.00 0.53 C ATOM 526 OG SER A 31 4.021 3.556 9.812 1.00 1.25 O ATOM 0 H SER A 31 4.388 2.386 7.768 1.00 0.35 H new ATOM 0 HA SER A 31 2.378 0.712 9.163 1.00 0.39 H new ATOM 0 HB2 SER A 31 2.411 2.687 10.759 1.00 0.53 H new ATOM 0 HB3 SER A 31 3.870 1.718 10.731 1.00 0.53 H new ATOM 0 HG SER A 31 3.650 3.974 9.007 1.00 1.25 H new ATOM 532 N PHE A 32 0.572 1.771 7.854 1.00 0.34 N ATOM 533 CA PHE A 32 -0.531 2.389 7.143 1.00 0.34 C ATOM 534 C PHE A 32 -1.781 2.370 7.999 1.00 0.34 C ATOM 535 O PHE A 32 -1.875 1.619 8.976 1.00 0.35 O ATOM 536 CB PHE A 32 -0.785 1.678 5.803 1.00 0.35 C ATOM 537 CG PHE A 32 -1.217 0.242 5.924 1.00 0.37 C ATOM 538 CD1 PHE A 32 -0.282 -0.777 5.982 1.00 0.49 C ATOM 539 CD2 PHE A 32 -2.564 -0.087 5.976 1.00 0.42 C ATOM 540 CE1 PHE A 32 -0.682 -2.095 6.087 1.00 0.61 C ATOM 541 CE2 PHE A 32 -2.968 -1.400 6.080 1.00 0.53 C ATOM 542 CZ PHE A 32 -2.026 -2.405 6.138 1.00 0.61 C ATOM 0 H PHE A 32 0.453 0.775 8.038 1.00 0.34 H new ATOM 0 HA PHE A 32 -0.267 3.425 6.931 1.00 0.34 H new ATOM 0 HB2 PHE A 32 -1.550 2.228 5.255 1.00 0.35 H new ATOM 0 HB3 PHE A 32 0.127 1.720 5.207 1.00 0.35 H new ATOM 0 HD1 PHE A 32 0.771 -0.539 5.945 1.00 0.49 H new ATOM 0 HD2 PHE A 32 -3.306 0.697 5.934 1.00 0.42 H new ATOM 0 HE1 PHE A 32 0.056 -2.882 6.129 1.00 0.61 H new ATOM 0 HE2 PHE A 32 -4.020 -1.641 6.116 1.00 0.53 H new ATOM 0 HZ PHE A 32 -2.340 -3.435 6.223 1.00 0.61 H new ATOM 552 N THR A 33 -2.729 3.201 7.630 1.00 0.38 N ATOM 553 CA THR A 33 -4.005 3.244 8.301 1.00 0.46 C ATOM 554 C THR A 33 -5.069 2.804 7.312 1.00 0.50 C ATOM 555 O THR A 33 -4.935 3.059 6.117 1.00 0.62 O ATOM 556 CB THR A 33 -4.313 4.667 8.806 1.00 0.57 C ATOM 557 OG1 THR A 33 -3.116 5.264 9.321 1.00 1.17 O ATOM 558 CG2 THR A 33 -5.376 4.644 9.895 1.00 1.06 C ATOM 0 H THR A 33 -2.637 3.863 6.859 1.00 0.38 H new ATOM 0 HA THR A 33 -3.987 2.582 9.167 1.00 0.46 H new ATOM 0 HB THR A 33 -4.691 5.253 7.968 1.00 0.57 H new ATOM 0 HG1 THR A 33 -3.313 6.169 9.640 1.00 1.17 H new ATOM 0 HG21 THR A 33 -5.573 5.662 10.232 1.00 1.06 H new ATOM 0 HG22 THR A 33 -6.293 4.209 9.499 1.00 1.06 H new ATOM 0 HG23 THR A 33 -5.024 4.045 10.735 1.00 1.06 H new ATOM 566 N TYR A 34 -6.103 2.137 7.782 1.00 0.54 N ATOM 567 CA TYR A 34 -7.161 1.698 6.893 1.00 0.63 C ATOM 568 C TYR A 34 -8.509 1.858 7.560 1.00 0.70 C ATOM 569 O TYR A 34 -8.607 1.941 8.788 1.00 0.95 O ATOM 570 CB TYR A 34 -6.951 0.247 6.436 1.00 0.69 C ATOM 571 CG TYR A 34 -7.129 -0.793 7.521 1.00 0.64 C ATOM 572 CD1 TYR A 34 -8.380 -1.333 7.797 1.00 0.76 C ATOM 573 CD2 TYR A 34 -6.042 -1.252 8.253 1.00 0.66 C ATOM 574 CE1 TYR A 34 -8.543 -2.290 8.778 1.00 0.81 C ATOM 575 CE2 TYR A 34 -6.195 -2.214 9.233 1.00 0.72 C ATOM 576 CZ TYR A 34 -7.448 -2.730 9.491 1.00 0.75 C ATOM 577 OH TYR A 34 -7.604 -3.691 10.464 1.00 0.87 O ATOM 0 H TYR A 34 -6.234 1.889 8.763 1.00 0.54 H new ATOM 0 HA TYR A 34 -7.132 2.328 6.004 1.00 0.63 H new ATOM 0 HB2 TYR A 34 -7.649 0.031 5.627 1.00 0.69 H new ATOM 0 HB3 TYR A 34 -5.947 0.153 6.023 1.00 0.69 H new ATOM 0 HD1 TYR A 34 -9.239 -0.998 7.234 1.00 0.76 H new ATOM 0 HD2 TYR A 34 -5.060 -0.850 8.053 1.00 0.66 H new ATOM 0 HE1 TYR A 34 -9.523 -2.692 8.986 1.00 0.81 H new ATOM 0 HE2 TYR A 34 -5.339 -2.560 9.793 1.00 0.72 H new ATOM 0 HH TYR A 34 -6.734 -3.890 10.870 1.00 0.87 H new ATOM 587 N ASP A 35 -9.539 1.921 6.742 1.00 1.05 N ATOM 588 CA ASP A 35 -10.893 2.061 7.224 1.00 1.19 C ATOM 589 C ASP A 35 -11.537 0.696 7.375 1.00 1.20 C ATOM 590 O ASP A 35 -11.530 -0.118 6.452 1.00 1.46 O ATOM 591 CB ASP A 35 -11.718 2.930 6.277 1.00 1.51 C ATOM 592 CG ASP A 35 -13.112 3.192 6.807 1.00 1.63 C ATOM 593 OD1 ASP A 35 -13.268 4.096 7.656 1.00 2.12 O ATOM 594 OD2 ASP A 35 -14.058 2.507 6.369 1.00 1.99 O ATOM 0 H ASP A 35 -9.459 1.876 5.726 1.00 1.05 H new ATOM 0 HA ASP A 35 -10.862 2.549 8.198 1.00 1.19 H new ATOM 0 HB2 ASP A 35 -11.207 3.880 6.120 1.00 1.51 H new ATOM 0 HB3 ASP A 35 -11.787 2.441 5.305 1.00 1.51 H new ATOM 599 N ASP A 36 -12.079 0.460 8.549 1.00 1.24 N ATOM 600 CA ASP A 36 -12.753 -0.789 8.864 1.00 1.47 C ATOM 601 C ASP A 36 -14.259 -0.571 8.840 1.00 1.69 C ATOM 602 O ASP A 36 -15.038 -1.511 8.675 1.00 2.10 O ATOM 603 CB ASP A 36 -12.303 -1.303 10.242 1.00 1.93 C ATOM 604 CG ASP A 36 -12.294 -0.216 11.307 1.00 2.68 C ATOM 605 OD1 ASP A 36 -12.907 0.857 11.080 1.00 3.47 O ATOM 606 OD2 ASP A 36 -11.663 -0.417 12.365 1.00 2.88 O ATOM 0 H ASP A 36 -12.067 1.129 9.319 1.00 1.24 H new ATOM 0 HA ASP A 36 -12.491 -1.540 8.119 1.00 1.47 H new ATOM 0 HB2 ASP A 36 -12.966 -2.108 10.558 1.00 1.93 H new ATOM 0 HB3 ASP A 36 -11.303 -1.729 10.156 1.00 1.93 H new ATOM 611 N ASN A 37 -14.637 0.695 8.998 1.00 2.04 N ATOM 612 CA ASN A 37 -16.031 1.142 9.006 1.00 2.52 C ATOM 613 C ASN A 37 -16.072 2.604 9.433 1.00 2.87 C ATOM 614 O ASN A 37 -17.029 3.324 9.161 1.00 3.52 O ATOM 615 CB ASN A 37 -16.917 0.308 9.954 1.00 3.11 C ATOM 616 CG ASN A 37 -16.661 0.554 11.440 1.00 3.61 C ATOM 617 OD1 ASN A 37 -17.593 0.573 12.241 1.00 4.37 O ATOM 618 ND2 ASN A 37 -15.406 0.703 11.835 1.00 3.58 N ATOM 0 H ASN A 37 -13.970 1.456 9.127 1.00 2.04 H new ATOM 0 HA ASN A 37 -16.428 1.013 7.999 1.00 2.52 H new ATOM 0 HB2 ASN A 37 -17.963 0.525 9.738 1.00 3.11 H new ATOM 0 HB3 ASN A 37 -16.760 -0.749 9.741 1.00 3.11 H new ATOM 0 HD21 ASN A 37 -15.195 0.837 12.824 1.00 3.58 H new ATOM 0 HD22 ASN A 37 -14.650 0.683 11.150 1.00 3.58 H new ATOM 625 N GLY A 38 -15.011 3.020 10.112 1.00 3.05 N ATOM 626 CA GLY A 38 -14.909 4.379 10.598 1.00 3.84 C ATOM 627 C GLY A 38 -13.929 4.485 11.747 1.00 3.87 C ATOM 628 O GLY A 38 -13.708 5.566 12.291 1.00 4.27 O ATOM 0 H GLY A 38 -14.210 2.430 10.336 1.00 3.05 H new ATOM 0 HA2 GLY A 38 -14.592 5.034 9.786 1.00 3.84 H new ATOM 0 HA3 GLY A 38 -15.890 4.725 10.922 1.00 3.84 H new ATOM 632 N LYS A 39 -13.337 3.355 12.112 1.00 3.58 N ATOM 633 CA LYS A 39 -12.368 3.302 13.194 1.00 3.65 C ATOM 634 C LYS A 39 -10.952 3.348 12.619 1.00 3.06 C ATOM 635 O LYS A 39 -10.745 3.087 11.432 1.00 3.00 O ATOM 636 CB LYS A 39 -12.591 2.025 14.022 1.00 3.97 C ATOM 637 CG LYS A 39 -11.596 1.827 15.156 1.00 4.01 C ATOM 638 CD LYS A 39 -11.889 0.565 15.952 1.00 4.09 C ATOM 639 CE LYS A 39 -10.697 -0.380 15.961 1.00 4.30 C ATOM 640 NZ LYS A 39 -10.533 -1.096 14.664 1.00 4.81 N ATOM 0 H LYS A 39 -13.515 2.454 11.667 1.00 3.58 H new ATOM 0 HA LYS A 39 -12.497 4.163 13.850 1.00 3.65 H new ATOM 0 HB2 LYS A 39 -13.598 2.049 14.439 1.00 3.97 H new ATOM 0 HB3 LYS A 39 -12.541 1.163 13.357 1.00 3.97 H new ATOM 0 HG2 LYS A 39 -10.587 1.773 14.748 1.00 4.01 H new ATOM 0 HG3 LYS A 39 -11.626 2.691 15.820 1.00 4.01 H new ATOM 0 HD2 LYS A 39 -12.150 0.832 16.976 1.00 4.09 H new ATOM 0 HD3 LYS A 39 -12.754 0.057 15.525 1.00 4.09 H new ATOM 0 HE2 LYS A 39 -9.790 0.184 16.179 1.00 4.30 H new ATOM 0 HE3 LYS A 39 -10.820 -1.108 16.763 1.00 4.30 H new ATOM 0 HZ1 LYS A 39 -10.685 -2.115 14.808 1.00 4.81 H new ATOM 0 HZ2 LYS A 39 -11.228 -0.736 13.979 1.00 4.81 H new ATOM 0 HZ3 LYS A 39 -9.572 -0.937 14.299 1.00 4.81 H new ATOM 654 N THR A 40 -9.992 3.726 13.445 1.00 2.83 N ATOM 655 CA THR A 40 -8.604 3.825 13.025 1.00 2.37 C ATOM 656 C THR A 40 -7.919 2.456 13.026 1.00 1.60 C ATOM 657 O THR A 40 -7.291 2.063 14.012 1.00 2.02 O ATOM 658 CB THR A 40 -7.834 4.795 13.947 1.00 2.76 C ATOM 659 OG1 THR A 40 -8.549 6.037 14.040 1.00 2.97 O ATOM 660 CG2 THR A 40 -6.427 5.055 13.426 1.00 3.08 C ATOM 0 H THR A 40 -10.151 3.972 14.422 1.00 2.83 H new ATOM 0 HA THR A 40 -8.594 4.209 12.005 1.00 2.37 H new ATOM 0 HB THR A 40 -7.752 4.336 14.932 1.00 2.76 H new ATOM 0 HG1 THR A 40 -8.061 6.652 14.627 1.00 2.97 H new ATOM 0 HG21 THR A 40 -5.911 5.742 14.097 1.00 3.08 H new ATOM 0 HG22 THR A 40 -5.878 4.115 13.377 1.00 3.08 H new ATOM 0 HG23 THR A 40 -6.483 5.495 12.430 1.00 3.08 H new ATOM 668 N GLY A 41 -8.072 1.717 11.933 1.00 1.15 N ATOM 669 CA GLY A 41 -7.366 0.462 11.780 1.00 0.83 C ATOM 670 C GLY A 41 -5.908 0.681 11.432 1.00 0.61 C ATOM 671 O GLY A 41 -5.589 1.526 10.595 1.00 0.62 O ATOM 0 H GLY A 41 -8.675 1.967 11.149 1.00 1.15 H new ATOM 0 HA2 GLY A 41 -7.438 -0.112 12.704 1.00 0.83 H new ATOM 0 HA3 GLY A 41 -7.842 -0.131 10.999 1.00 0.83 H new ATOM 675 N ARG A 42 -5.019 -0.077 12.060 1.00 0.52 N ATOM 676 CA ARG A 42 -3.587 0.103 11.865 1.00 0.51 C ATOM 677 C ARG A 42 -2.888 -1.230 11.640 1.00 0.47 C ATOM 678 O ARG A 42 -2.992 -2.143 12.454 1.00 0.61 O ATOM 679 CB ARG A 42 -2.968 0.813 13.071 1.00 0.76 C ATOM 680 CG ARG A 42 -3.008 2.327 12.981 1.00 1.24 C ATOM 681 CD ARG A 42 -2.046 2.842 11.925 1.00 1.30 C ATOM 682 NE ARG A 42 -2.044 4.300 11.846 1.00 1.86 N ATOM 683 CZ ARG A 42 -0.940 5.043 11.824 1.00 2.34 C ATOM 684 NH1 ARG A 42 0.257 4.472 11.917 1.00 2.55 N ATOM 685 NH2 ARG A 42 -1.032 6.362 11.718 1.00 3.13 N ATOM 0 H ARG A 42 -5.265 -0.824 12.710 1.00 0.52 H new ATOM 0 HA ARG A 42 -3.450 0.718 10.976 1.00 0.51 H new ATOM 0 HB2 ARG A 42 -3.492 0.499 13.974 1.00 0.76 H new ATOM 0 HB3 ARG A 42 -1.932 0.492 13.176 1.00 0.76 H new ATOM 0 HG2 ARG A 42 -4.021 2.653 12.743 1.00 1.24 H new ATOM 0 HG3 ARG A 42 -2.753 2.758 13.949 1.00 1.24 H new ATOM 0 HD2 ARG A 42 -1.039 2.491 12.151 1.00 1.30 H new ATOM 0 HD3 ARG A 42 -2.318 2.427 10.954 1.00 1.30 H new ATOM 0 HE ARG A 42 -2.944 4.778 11.805 1.00 1.86 H new ATOM 0 HH11 ARG A 42 0.333 3.459 12.006 1.00 2.55 H new ATOM 0 HH12 ARG A 42 1.099 5.047 11.899 1.00 2.55 H new ATOM 0 HH21 ARG A 42 -1.948 6.806 11.653 1.00 3.13 H new ATOM 0 HH22 ARG A 42 -0.187 6.932 11.701 1.00 3.13 H new ATOM 699 N GLY A 43 -2.164 -1.320 10.535 1.00 0.40 N ATOM 700 CA GLY A 43 -1.408 -2.515 10.228 1.00 0.43 C ATOM 701 C GLY A 43 -0.020 -2.161 9.749 1.00 0.38 C ATOM 702 O GLY A 43 0.191 -1.053 9.247 1.00 0.39 O ATOM 0 H GLY A 43 -2.087 -0.578 9.839 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -1.342 -3.147 11.114 1.00 0.43 H new ATOM 0 HA3 GLY A 43 -1.926 -3.092 9.462 1.00 0.43 H new ATOM 706 N ALA A 44 0.929 -3.069 9.903 1.00 0.38 N ATOM 707 CA ALA A 44 2.293 -2.789 9.498 1.00 0.39 C ATOM 708 C ALA A 44 2.975 -4.033 8.952 1.00 0.44 C ATOM 709 O ALA A 44 2.849 -5.122 9.508 1.00 0.53 O ATOM 710 CB ALA A 44 3.092 -2.221 10.662 1.00 0.46 C ATOM 0 H ALA A 44 0.781 -3.996 10.301 1.00 0.38 H new ATOM 0 HA ALA A 44 2.255 -2.046 8.701 1.00 0.39 H new ATOM 0 HB1 ALA A 44 4.113 -2.018 10.338 1.00 0.46 H new ATOM 0 HB2 ALA A 44 2.629 -1.296 11.004 1.00 0.46 H new ATOM 0 HB3 ALA A 44 3.108 -2.942 11.479 1.00 0.46 H new ATOM 716 N VAL A 45 3.684 -3.854 7.855 1.00 0.45 N ATOM 717 CA VAL A 45 4.452 -4.921 7.236 1.00 0.54 C ATOM 718 C VAL A 45 5.736 -4.319 6.672 1.00 0.47 C ATOM 719 O VAL A 45 5.801 -3.111 6.463 1.00 0.49 O ATOM 720 CB VAL A 45 3.634 -5.616 6.119 1.00 0.70 C ATOM 721 CG1 VAL A 45 3.402 -4.688 4.939 1.00 1.21 C ATOM 722 CG2 VAL A 45 4.306 -6.902 5.667 1.00 1.50 C ATOM 0 H VAL A 45 3.745 -2.962 7.365 1.00 0.45 H new ATOM 0 HA VAL A 45 4.693 -5.681 7.979 1.00 0.54 H new ATOM 0 HB VAL A 45 2.661 -5.870 6.539 1.00 0.70 H new ATOM 0 HG11 VAL A 45 2.825 -5.209 4.175 1.00 1.21 H new ATOM 0 HG12 VAL A 45 2.852 -3.807 5.271 1.00 1.21 H new ATOM 0 HG13 VAL A 45 4.362 -4.381 4.523 1.00 1.21 H new ATOM 0 HG21 VAL A 45 3.710 -7.368 4.883 1.00 1.50 H new ATOM 0 HG22 VAL A 45 5.300 -6.677 5.281 1.00 1.50 H new ATOM 0 HG23 VAL A 45 4.391 -7.585 6.512 1.00 1.50 H new ATOM 732 N SER A 46 6.752 -5.133 6.449 1.00 0.51 N ATOM 733 CA SER A 46 8.010 -4.638 5.920 1.00 0.62 C ATOM 734 C SER A 46 7.840 -4.204 4.464 1.00 0.74 C ATOM 735 O SER A 46 7.121 -4.837 3.692 1.00 1.13 O ATOM 736 CB SER A 46 9.075 -5.723 6.056 1.00 0.78 C ATOM 737 OG SER A 46 8.481 -7.013 6.077 1.00 1.26 O ATOM 0 H SER A 46 6.731 -6.137 6.625 1.00 0.51 H new ATOM 0 HA SER A 46 8.329 -3.764 6.488 1.00 0.62 H new ATOM 0 HB2 SER A 46 9.778 -5.655 5.226 1.00 0.78 H new ATOM 0 HB3 SER A 46 9.646 -5.566 6.971 1.00 0.78 H new ATOM 0 HG SER A 46 8.288 -7.299 5.160 1.00 1.26 H new ATOM 743 N GLU A 47 8.521 -3.110 4.120 1.00 0.64 N ATOM 744 CA GLU A 47 8.298 -2.375 2.875 1.00 0.78 C ATOM 745 C GLU A 47 8.560 -3.244 1.652 1.00 0.69 C ATOM 746 O GLU A 47 7.862 -3.141 0.642 1.00 0.81 O ATOM 747 CB GLU A 47 9.217 -1.150 2.846 1.00 1.15 C ATOM 748 CG GLU A 47 8.932 -0.197 1.701 1.00 1.53 C ATOM 749 CD GLU A 47 9.958 0.913 1.592 1.00 1.83 C ATOM 750 OE1 GLU A 47 9.902 1.868 2.396 1.00 2.34 O ATOM 751 OE2 GLU A 47 10.825 0.837 0.695 1.00 2.01 O ATOM 0 H GLU A 47 9.252 -2.705 4.705 1.00 0.64 H new ATOM 0 HA GLU A 47 7.253 -2.066 2.842 1.00 0.78 H new ATOM 0 HB2 GLU A 47 9.118 -0.611 3.788 1.00 1.15 H new ATOM 0 HB3 GLU A 47 10.252 -1.485 2.778 1.00 1.15 H new ATOM 0 HG2 GLU A 47 8.908 -0.757 0.766 1.00 1.53 H new ATOM 0 HG3 GLU A 47 7.943 0.241 1.836 1.00 1.53 H new ATOM 758 N LYS A 48 9.574 -4.091 1.757 1.00 0.67 N ATOM 759 CA LYS A 48 9.920 -5.019 0.682 1.00 0.76 C ATOM 760 C LYS A 48 8.780 -6.004 0.396 1.00 0.70 C ATOM 761 O LYS A 48 8.756 -6.652 -0.651 1.00 0.83 O ATOM 762 CB LYS A 48 11.186 -5.795 1.055 1.00 0.93 C ATOM 763 CG LYS A 48 10.960 -6.829 2.146 1.00 1.63 C ATOM 764 CD LYS A 48 12.251 -7.519 2.550 1.00 2.06 C ATOM 765 CE LYS A 48 11.975 -8.722 3.437 1.00 2.59 C ATOM 766 NZ LYS A 48 11.111 -8.378 4.597 1.00 3.35 N ATOM 0 H LYS A 48 10.176 -4.157 2.578 1.00 0.67 H new ATOM 0 HA LYS A 48 10.094 -4.433 -0.221 1.00 0.76 H new ATOM 0 HB2 LYS A 48 11.573 -6.294 0.166 1.00 0.93 H new ATOM 0 HB3 LYS A 48 11.951 -5.092 1.384 1.00 0.93 H new ATOM 0 HG2 LYS A 48 10.519 -6.346 3.018 1.00 1.63 H new ATOM 0 HG3 LYS A 48 10.244 -7.574 1.798 1.00 1.63 H new ATOM 0 HD2 LYS A 48 12.791 -7.837 1.658 1.00 2.06 H new ATOM 0 HD3 LYS A 48 12.894 -6.814 3.078 1.00 2.06 H new ATOM 0 HE2 LYS A 48 11.495 -9.503 2.848 1.00 2.59 H new ATOM 0 HE3 LYS A 48 12.919 -9.130 3.798 1.00 2.59 H new ATOM 0 HZ1 LYS A 48 11.331 -9.010 5.393 1.00 3.35 H new ATOM 0 HZ2 LYS A 48 11.285 -7.392 4.879 1.00 3.35 H new ATOM 0 HZ3 LYS A 48 10.112 -8.491 4.331 1.00 3.35 H new ATOM 780 N ASP A 49 7.840 -6.115 1.327 1.00 0.59 N ATOM 781 CA ASP A 49 6.748 -7.073 1.201 1.00 0.65 C ATOM 782 C ASP A 49 5.435 -6.385 0.837 1.00 0.66 C ATOM 783 O ASP A 49 4.366 -6.978 0.977 1.00 0.72 O ATOM 784 CB ASP A 49 6.565 -7.853 2.507 1.00 0.68 C ATOM 785 CG ASP A 49 7.785 -8.667 2.891 1.00 1.28 C ATOM 786 OD1 ASP A 49 8.009 -9.734 2.282 1.00 1.27 O ATOM 787 OD2 ASP A 49 8.519 -8.250 3.816 1.00 2.22 O ATOM 0 H ASP A 49 7.812 -5.553 2.178 1.00 0.59 H new ATOM 0 HA ASP A 49 7.013 -7.760 0.397 1.00 0.65 H new ATOM 0 HB2 ASP A 49 6.334 -7.154 3.311 1.00 0.68 H new ATOM 0 HB3 ASP A 49 5.708 -8.519 2.408 1.00 0.68 H new ATOM 792 N ALA A 50 5.508 -5.142 0.375 1.00 0.69 N ATOM 793 CA ALA A 50 4.308 -4.397 0.006 1.00 0.72 C ATOM 794 C ALA A 50 3.729 -4.896 -1.319 1.00 0.70 C ATOM 795 O ALA A 50 4.424 -4.925 -2.338 1.00 0.79 O ATOM 796 CB ALA A 50 4.611 -2.912 -0.077 1.00 0.87 C ATOM 0 H ALA A 50 6.381 -4.630 0.247 1.00 0.69 H new ATOM 0 HA ALA A 50 3.561 -4.562 0.782 1.00 0.72 H new ATOM 0 HB1 ALA A 50 3.706 -2.371 -0.353 1.00 0.87 H new ATOM 0 HB2 ALA A 50 4.964 -2.558 0.892 1.00 0.87 H new ATOM 0 HB3 ALA A 50 5.381 -2.739 -0.829 1.00 0.87 H new ATOM 802 N PRO A 51 2.453 -5.315 -1.316 1.00 0.65 N ATOM 803 CA PRO A 51 1.768 -5.801 -2.506 1.00 0.70 C ATOM 804 C PRO A 51 1.006 -4.699 -3.243 1.00 0.72 C ATOM 805 O PRO A 51 0.034 -4.167 -2.710 1.00 1.01 O ATOM 806 CB PRO A 51 0.789 -6.837 -1.939 1.00 0.72 C ATOM 807 CG PRO A 51 0.708 -6.581 -0.457 1.00 0.73 C ATOM 808 CD PRO A 51 1.571 -5.381 -0.154 1.00 0.64 C ATOM 0 HA PRO A 51 2.465 -6.198 -3.244 1.00 0.70 H new ATOM 0 HB2 PRO A 51 -0.192 -6.739 -2.404 1.00 0.72 H new ATOM 0 HB3 PRO A 51 1.137 -7.850 -2.139 1.00 0.72 H new ATOM 0 HG2 PRO A 51 -0.323 -6.397 -0.156 1.00 0.73 H new ATOM 0 HG3 PRO A 51 1.053 -7.451 0.101 1.00 0.73 H new ATOM 0 HD2 PRO A 51 0.978 -4.473 -0.045 1.00 0.64 H new ATOM 0 HD3 PRO A 51 2.131 -5.509 0.772 1.00 0.64 H new ATOM 816 N LYS A 52 1.521 -4.348 -4.432 1.00 0.61 N ATOM 817 CA LYS A 52 0.905 -3.416 -5.407 1.00 0.70 C ATOM 818 C LYS A 52 -0.189 -2.508 -4.841 1.00 0.60 C ATOM 819 O LYS A 52 0.037 -1.321 -4.666 1.00 0.70 O ATOM 820 CB LYS A 52 0.340 -4.171 -6.609 1.00 1.04 C ATOM 821 CG LYS A 52 -0.168 -3.237 -7.698 1.00 1.38 C ATOM 822 CD LYS A 52 -1.000 -3.968 -8.735 1.00 2.01 C ATOM 823 CE LYS A 52 -1.611 -2.998 -9.735 1.00 2.22 C ATOM 824 NZ LYS A 52 -2.355 -1.902 -9.056 1.00 2.97 N ATOM 0 H LYS A 52 2.414 -4.717 -4.759 1.00 0.61 H new ATOM 0 HA LYS A 52 1.728 -2.765 -5.703 1.00 0.70 H new ATOM 0 HB2 LYS A 52 1.112 -4.820 -7.022 1.00 1.04 H new ATOM 0 HB3 LYS A 52 -0.474 -4.816 -6.279 1.00 1.04 H new ATOM 0 HG2 LYS A 52 -0.766 -2.446 -7.246 1.00 1.38 H new ATOM 0 HG3 LYS A 52 0.679 -2.756 -8.187 1.00 1.38 H new ATOM 0 HD2 LYS A 52 -0.377 -4.691 -9.261 1.00 2.01 H new ATOM 0 HD3 LYS A 52 -1.792 -4.530 -8.239 1.00 2.01 H new ATOM 0 HE2 LYS A 52 -0.823 -2.572 -10.357 1.00 2.22 H new ATOM 0 HE3 LYS A 52 -2.285 -3.538 -10.400 1.00 2.22 H new ATOM 0 HZ1 LYS A 52 -3.194 -1.652 -9.617 1.00 2.97 H new ATOM 0 HZ2 LYS A 52 -2.652 -2.218 -8.111 1.00 2.97 H new ATOM 0 HZ3 LYS A 52 -1.739 -1.069 -8.965 1.00 2.97 H new ATOM 838 N GLU A 53 -1.375 -3.069 -4.598 1.00 0.67 N ATOM 839 CA GLU A 53 -2.540 -2.307 -4.141 1.00 0.82 C ATOM 840 C GLU A 53 -2.217 -1.396 -2.951 1.00 0.80 C ATOM 841 O GLU A 53 -2.819 -0.333 -2.795 1.00 1.00 O ATOM 842 CB GLU A 53 -3.669 -3.273 -3.781 1.00 1.09 C ATOM 843 CG GLU A 53 -4.577 -3.627 -4.953 1.00 1.69 C ATOM 844 CD GLU A 53 -3.835 -3.829 -6.262 1.00 2.07 C ATOM 845 OE1 GLU A 53 -3.266 -4.922 -6.483 1.00 2.77 O ATOM 846 OE2 GLU A 53 -3.832 -2.895 -7.094 1.00 2.33 O ATOM 0 H GLU A 53 -1.556 -4.066 -4.713 1.00 0.67 H new ATOM 0 HA GLU A 53 -2.852 -1.656 -4.958 1.00 0.82 H new ATOM 0 HB2 GLU A 53 -3.236 -4.189 -3.380 1.00 1.09 H new ATOM 0 HB3 GLU A 53 -4.272 -2.832 -2.987 1.00 1.09 H new ATOM 0 HG2 GLU A 53 -5.126 -4.537 -4.713 1.00 1.69 H new ATOM 0 HG3 GLU A 53 -5.314 -2.834 -5.082 1.00 1.69 H new ATOM 853 N LEU A 54 -1.266 -1.808 -2.124 1.00 0.69 N ATOM 854 CA LEU A 54 -0.832 -0.991 -0.996 1.00 0.74 C ATOM 855 C LEU A 54 0.303 -0.068 -1.418 1.00 0.78 C ATOM 856 O LEU A 54 0.311 1.117 -1.092 1.00 1.15 O ATOM 857 CB LEU A 54 -0.371 -1.885 0.163 1.00 0.78 C ATOM 858 CG LEU A 54 0.110 -1.137 1.409 1.00 0.83 C ATOM 859 CD1 LEU A 54 -1.034 -0.363 2.047 1.00 1.34 C ATOM 860 CD2 LEU A 54 0.726 -2.105 2.405 1.00 1.82 C ATOM 0 H LEU A 54 -0.780 -2.701 -2.211 1.00 0.69 H new ATOM 0 HA LEU A 54 -1.676 -0.386 -0.663 1.00 0.74 H new ATOM 0 HB2 LEU A 54 -1.195 -2.539 0.447 1.00 0.78 H new ATOM 0 HB3 LEU A 54 0.437 -2.525 -0.192 1.00 0.78 H new ATOM 0 HG LEU A 54 0.875 -0.422 1.107 1.00 0.83 H new ATOM 0 HD11 LEU A 54 -0.670 0.161 2.931 1.00 1.34 H new ATOM 0 HD12 LEU A 54 -1.427 0.360 1.332 1.00 1.34 H new ATOM 0 HD13 LEU A 54 -1.825 -1.055 2.336 1.00 1.34 H new ATOM 0 HD21 LEU A 54 1.063 -1.557 3.285 1.00 1.82 H new ATOM 0 HD22 LEU A 54 -0.018 -2.845 2.701 1.00 1.82 H new ATOM 0 HD23 LEU A 54 1.576 -2.609 1.945 1.00 1.82 H new ATOM 872 N LEU A 55 1.255 -0.630 -2.154 1.00 0.63 N ATOM 873 CA LEU A 55 2.415 0.122 -2.618 1.00 0.65 C ATOM 874 C LEU A 55 2.017 1.248 -3.580 1.00 0.66 C ATOM 875 O LEU A 55 2.715 2.256 -3.683 1.00 0.76 O ATOM 876 CB LEU A 55 3.412 -0.842 -3.283 1.00 0.68 C ATOM 877 CG LEU A 55 4.815 -0.283 -3.561 1.00 0.99 C ATOM 878 CD1 LEU A 55 5.843 -1.402 -3.517 1.00 1.18 C ATOM 879 CD2 LEU A 55 4.865 0.406 -4.920 1.00 1.87 C ATOM 0 H LEU A 55 1.246 -1.608 -2.443 1.00 0.63 H new ATOM 0 HA LEU A 55 2.887 0.596 -1.757 1.00 0.65 H new ATOM 0 HB2 LEU A 55 3.514 -1.722 -2.647 1.00 0.68 H new ATOM 0 HB3 LEU A 55 2.984 -1.179 -4.227 1.00 0.68 H new ATOM 0 HG LEU A 55 5.047 0.451 -2.789 1.00 0.99 H new ATOM 0 HD11 LEU A 55 6.834 -0.994 -3.716 1.00 1.18 H new ATOM 0 HD12 LEU A 55 5.833 -1.867 -2.531 1.00 1.18 H new ATOM 0 HD13 LEU A 55 5.600 -2.149 -4.273 1.00 1.18 H new ATOM 0 HD21 LEU A 55 5.869 0.794 -5.095 1.00 1.87 H new ATOM 0 HD22 LEU A 55 4.612 -0.311 -5.701 1.00 1.87 H new ATOM 0 HD23 LEU A 55 4.150 1.229 -4.937 1.00 1.87 H new ATOM 891 N ASP A 56 0.892 1.095 -4.264 1.00 0.64 N ATOM 892 CA ASP A 56 0.398 2.143 -5.150 1.00 0.69 C ATOM 893 C ASP A 56 -0.076 3.334 -4.329 1.00 0.76 C ATOM 894 O ASP A 56 0.196 4.487 -4.674 1.00 0.90 O ATOM 895 CB ASP A 56 -0.745 1.623 -6.024 1.00 0.79 C ATOM 896 CG ASP A 56 -1.170 2.624 -7.080 1.00 1.12 C ATOM 897 OD1 ASP A 56 -2.016 3.488 -6.784 1.00 1.59 O ATOM 898 OD2 ASP A 56 -0.663 2.538 -8.220 1.00 1.33 O ATOM 0 H ASP A 56 0.306 0.261 -4.224 1.00 0.64 H new ATOM 0 HA ASP A 56 1.214 2.456 -5.802 1.00 0.69 H new ATOM 0 HB2 ASP A 56 -0.435 0.698 -6.509 1.00 0.79 H new ATOM 0 HB3 ASP A 56 -1.600 1.381 -5.392 1.00 0.79 H new ATOM 903 N MET A 57 -0.739 3.044 -3.213 1.00 0.75 N ATOM 904 CA MET A 57 -1.210 4.076 -2.292 1.00 0.87 C ATOM 905 C MET A 57 -0.037 4.559 -1.448 1.00 0.95 C ATOM 906 O MET A 57 -0.105 4.572 -0.221 1.00 1.44 O ATOM 907 CB MET A 57 -2.300 3.517 -1.368 1.00 0.97 C ATOM 908 CG MET A 57 -3.463 2.863 -2.091 1.00 1.08 C ATOM 909 SD MET A 57 -4.445 4.028 -3.050 1.00 1.54 S ATOM 910 CE MET A 57 -5.690 2.927 -3.712 1.00 2.05 C ATOM 0 H MET A 57 -0.964 2.093 -2.922 1.00 0.75 H new ATOM 0 HA MET A 57 -1.628 4.901 -2.868 1.00 0.87 H new ATOM 0 HB2 MET A 57 -1.849 2.787 -0.696 1.00 0.97 H new ATOM 0 HB3 MET A 57 -2.683 4.327 -0.748 1.00 0.97 H new ATOM 0 HG2 MET A 57 -3.080 2.087 -2.754 1.00 1.08 H new ATOM 0 HG3 MET A 57 -4.105 2.370 -1.361 1.00 1.08 H new ATOM 0 HE1 MET A 57 -6.383 3.493 -4.334 1.00 2.05 H new ATOM 0 HE2 MET A 57 -5.210 2.155 -4.314 1.00 2.05 H new ATOM 0 HE3 MET A 57 -6.236 2.461 -2.892 1.00 2.05 H new ATOM 920 N LEU A 58 1.023 4.990 -2.119 1.00 0.84 N ATOM 921 CA LEU A 58 2.317 5.156 -1.485 1.00 0.89 C ATOM 922 C LEU A 58 3.315 5.663 -2.531 1.00 0.97 C ATOM 923 O LEU A 58 3.984 6.681 -2.339 1.00 1.36 O ATOM 924 CB LEU A 58 2.763 3.818 -0.858 1.00 0.97 C ATOM 925 CG LEU A 58 4.029 3.848 0.013 1.00 0.87 C ATOM 926 CD1 LEU A 58 5.267 3.621 -0.836 1.00 1.63 C ATOM 927 CD2 LEU A 58 4.138 5.163 0.773 1.00 1.59 C ATOM 0 H LEU A 58 1.008 5.232 -3.110 1.00 0.84 H new ATOM 0 HA LEU A 58 2.263 5.889 -0.680 1.00 0.89 H new ATOM 0 HB2 LEU A 58 1.942 3.437 -0.251 1.00 0.97 H new ATOM 0 HB3 LEU A 58 2.922 3.102 -1.664 1.00 0.97 H new ATOM 0 HG LEU A 58 3.955 3.041 0.742 1.00 0.87 H new ATOM 0 HD11 LEU A 58 6.153 3.646 -0.201 1.00 1.63 H new ATOM 0 HD12 LEU A 58 5.199 2.650 -1.326 1.00 1.63 H new ATOM 0 HD13 LEU A 58 5.339 4.404 -1.591 1.00 1.63 H new ATOM 0 HD21 LEU A 58 5.042 5.158 1.381 1.00 1.59 H new ATOM 0 HD22 LEU A 58 4.182 5.990 0.064 1.00 1.59 H new ATOM 0 HD23 LEU A 58 3.268 5.284 1.418 1.00 1.59 H new ATOM 939 N ALA A 59 3.377 4.949 -3.655 1.00 0.84 N ATOM 940 CA ALA A 59 4.254 5.308 -4.768 1.00 0.93 C ATOM 941 C ALA A 59 3.758 6.558 -5.492 1.00 0.99 C ATOM 942 O ALA A 59 4.521 7.232 -6.183 1.00 1.11 O ATOM 943 CB ALA A 59 4.368 4.148 -5.745 1.00 1.07 C ATOM 0 H ALA A 59 2.823 4.109 -3.819 1.00 0.84 H new ATOM 0 HA ALA A 59 5.239 5.528 -4.356 1.00 0.93 H new ATOM 0 HB1 ALA A 59 5.024 4.429 -6.569 1.00 1.07 H new ATOM 0 HB2 ALA A 59 4.781 3.280 -5.232 1.00 1.07 H new ATOM 0 HB3 ALA A 59 3.380 3.903 -6.135 1.00 1.07 H new ATOM 949 N ARG A 60 2.480 6.864 -5.308 1.00 1.13 N ATOM 950 CA ARG A 60 1.858 8.025 -5.951 1.00 1.40 C ATOM 951 C ARG A 60 2.297 9.343 -5.302 1.00 1.53 C ATOM 952 O ARG A 60 1.667 10.379 -5.506 1.00 1.94 O ATOM 953 CB ARG A 60 0.326 7.914 -5.908 1.00 1.59 C ATOM 954 CG ARG A 60 -0.244 6.705 -6.646 1.00 1.74 C ATOM 955 CD ARG A 60 -0.077 6.805 -8.158 1.00 1.93 C ATOM 956 NE ARG A 60 1.325 6.812 -8.574 1.00 2.28 N ATOM 957 CZ ARG A 60 2.020 5.722 -8.882 1.00 2.83 C ATOM 958 NH1 ARG A 60 1.464 4.519 -8.808 1.00 3.12 N ATOM 959 NH2 ARG A 60 3.285 5.843 -9.258 1.00 3.60 N ATOM 0 H ARG A 60 1.848 6.324 -4.717 1.00 1.13 H new ATOM 0 HA ARG A 60 2.192 8.031 -6.989 1.00 1.40 H new ATOM 0 HB2 ARG A 60 0.007 7.871 -4.867 1.00 1.59 H new ATOM 0 HB3 ARG A 60 -0.103 8.820 -6.336 1.00 1.59 H new ATOM 0 HG2 ARG A 60 0.250 5.801 -6.289 1.00 1.74 H new ATOM 0 HG3 ARG A 60 -1.303 6.605 -6.408 1.00 1.74 H new ATOM 0 HD2 ARG A 60 -0.588 5.966 -8.632 1.00 1.93 H new ATOM 0 HD3 ARG A 60 -0.561 7.715 -8.513 1.00 1.93 H new ATOM 0 HE ARG A 60 1.801 7.713 -8.632 1.00 2.28 H new ATOM 0 HH11 ARG A 60 0.493 4.423 -8.512 1.00 3.12 H new ATOM 0 HH12 ARG A 60 2.008 3.690 -9.047 1.00 3.12 H new ATOM 0 HH21 ARG A 60 3.716 6.766 -9.309 1.00 3.60 H new ATOM 0 HH22 ARG A 60 3.828 5.013 -9.497 1.00 3.60 H new ATOM 973 N ALA A 61 3.381 9.302 -4.533 1.00 1.52 N ATOM 974 CA ALA A 61 3.872 10.488 -3.842 1.00 1.79 C ATOM 975 C ALA A 61 5.379 10.412 -3.587 1.00 1.71 C ATOM 976 O ALA A 61 6.056 11.438 -3.531 1.00 2.10 O ATOM 977 CB ALA A 61 3.124 10.672 -2.529 1.00 1.95 C ATOM 0 H ALA A 61 3.935 8.461 -4.373 1.00 1.52 H new ATOM 0 HA ALA A 61 3.690 11.349 -4.486 1.00 1.79 H new ATOM 0 HB1 ALA A 61 3.497 11.560 -2.019 1.00 1.95 H new ATOM 0 HB2 ALA A 61 2.059 10.789 -2.730 1.00 1.95 H new ATOM 0 HB3 ALA A 61 3.279 9.798 -1.896 1.00 1.95 H new ATOM 983 N GLU A 62 5.901 9.192 -3.461 1.00 1.51 N ATOM 984 CA GLU A 62 7.301 8.972 -3.081 1.00 1.64 C ATOM 985 C GLU A 62 8.292 9.281 -4.205 1.00 1.93 C ATOM 986 O GLU A 62 9.393 8.732 -4.221 1.00 2.42 O ATOM 987 CB GLU A 62 7.500 7.513 -2.662 1.00 1.89 C ATOM 988 CG GLU A 62 7.130 6.515 -3.750 1.00 2.14 C ATOM 989 CD GLU A 62 8.155 5.410 -3.920 1.00 2.57 C ATOM 990 OE1 GLU A 62 8.353 4.626 -2.974 1.00 2.91 O ATOM 991 OE2 GLU A 62 8.784 5.339 -4.995 1.00 2.98 O ATOM 0 H GLU A 62 5.373 8.334 -3.617 1.00 1.51 H new ATOM 0 HA GLU A 62 7.503 9.659 -2.259 1.00 1.64 H new ATOM 0 HB2 GLU A 62 8.542 7.363 -2.381 1.00 1.89 H new ATOM 0 HB3 GLU A 62 6.898 7.312 -1.775 1.00 1.89 H new ATOM 0 HG2 GLU A 62 6.163 6.071 -3.514 1.00 2.14 H new ATOM 0 HG3 GLU A 62 7.015 7.044 -4.696 1.00 2.14 H new ATOM 998 N ARG A 63 7.941 10.183 -5.106 1.00 2.16 N ATOM 999 CA ARG A 63 8.756 10.443 -6.285 1.00 2.69 C ATOM 1000 C ARG A 63 8.552 11.884 -6.712 1.00 2.85 C ATOM 1001 O ARG A 63 8.283 12.191 -7.875 1.00 3.26 O ATOM 1002 CB ARG A 63 8.402 9.464 -7.415 1.00 3.11 C ATOM 1003 CG ARG A 63 8.774 8.030 -7.074 1.00 3.13 C ATOM 1004 CD ARG A 63 8.294 7.025 -8.099 1.00 3.11 C ATOM 1005 NE ARG A 63 8.564 5.662 -7.650 1.00 2.92 N ATOM 1006 CZ ARG A 63 8.754 4.627 -8.459 1.00 3.14 C ATOM 1007 NH1 ARG A 63 8.685 4.783 -9.775 1.00 3.60 N ATOM 1008 NH2 ARG A 63 9.014 3.433 -7.947 1.00 3.44 N ATOM 0 H ARG A 63 7.095 10.750 -5.045 1.00 2.16 H new ATOM 0 HA ARG A 63 9.809 10.290 -6.049 1.00 2.69 H new ATOM 0 HB2 ARG A 63 7.333 9.521 -7.620 1.00 3.11 H new ATOM 0 HB3 ARG A 63 8.918 9.764 -8.327 1.00 3.11 H new ATOM 0 HG2 ARG A 63 9.858 7.955 -6.983 1.00 3.13 H new ATOM 0 HG3 ARG A 63 8.354 7.775 -6.101 1.00 3.13 H new ATOM 0 HD2 ARG A 63 7.225 7.153 -8.268 1.00 3.11 H new ATOM 0 HD3 ARG A 63 8.791 7.205 -9.052 1.00 3.11 H new ATOM 0 HE ARG A 63 8.610 5.494 -6.645 1.00 2.92 H new ATOM 0 HH11 ARG A 63 8.485 5.702 -10.170 1.00 3.60 H new ATOM 0 HH12 ARG A 63 8.832 3.984 -10.392 1.00 3.60 H new ATOM 0 HH21 ARG A 63 9.067 3.312 -6.936 1.00 3.44 H new ATOM 0 HH22 ARG A 63 9.161 2.634 -8.564 1.00 3.44 H new ATOM 1022 N GLU A 64 8.686 12.755 -5.722 1.00 2.76 N ATOM 1023 CA GLU A 64 8.504 14.187 -5.876 1.00 3.00 C ATOM 1024 C GLU A 64 9.030 14.854 -4.611 1.00 3.08 C ATOM 1025 O GLU A 64 9.807 15.807 -4.662 1.00 3.72 O ATOM 1026 CB GLU A 64 7.020 14.514 -6.089 1.00 2.97 C ATOM 1027 CG GLU A 64 6.751 15.972 -6.423 1.00 3.43 C ATOM 1028 CD GLU A 64 5.274 16.271 -6.580 1.00 3.74 C ATOM 1029 OE1 GLU A 64 4.592 16.459 -5.554 1.00 4.00 O ATOM 1030 OE2 GLU A 64 4.793 16.337 -7.729 1.00 4.07 O ATOM 0 H GLU A 64 8.929 12.478 -4.771 1.00 2.76 H new ATOM 0 HA GLU A 64 9.047 14.554 -6.747 1.00 3.00 H new ATOM 0 HB2 GLU A 64 6.633 13.890 -6.894 1.00 2.97 H new ATOM 0 HB3 GLU A 64 6.467 14.250 -5.187 1.00 2.97 H new ATOM 0 HG2 GLU A 64 7.164 16.603 -5.636 1.00 3.43 H new ATOM 0 HG3 GLU A 64 7.270 16.231 -7.345 1.00 3.43 H new ATOM 1037 N LYS A 65 8.576 14.324 -3.478 1.00 2.73 N ATOM 1038 CA LYS A 65 9.138 14.644 -2.167 1.00 2.95 C ATOM 1039 C LYS A 65 9.073 13.395 -1.298 1.00 2.86 C ATOM 1040 O LYS A 65 8.044 12.717 -1.281 1.00 3.37 O ATOM 1041 CB LYS A 65 8.363 15.770 -1.461 1.00 3.11 C ATOM 1042 CG LYS A 65 8.199 17.051 -2.265 1.00 3.54 C ATOM 1043 CD LYS A 65 6.810 17.151 -2.880 1.00 3.77 C ATOM 1044 CE LYS A 65 6.657 18.423 -3.692 1.00 3.79 C ATOM 1045 NZ LYS A 65 5.272 18.602 -4.203 1.00 4.11 N ATOM 0 H LYS A 65 7.805 13.658 -3.443 1.00 2.73 H new ATOM 0 HA LYS A 65 10.164 14.982 -2.313 1.00 2.95 H new ATOM 0 HB2 LYS A 65 7.373 15.397 -1.197 1.00 3.11 H new ATOM 0 HB3 LYS A 65 8.873 16.009 -0.528 1.00 3.11 H new ATOM 0 HG2 LYS A 65 8.375 17.912 -1.620 1.00 3.54 H new ATOM 0 HG3 LYS A 65 8.950 17.085 -3.054 1.00 3.54 H new ATOM 0 HD2 LYS A 65 6.629 16.286 -3.518 1.00 3.77 H new ATOM 0 HD3 LYS A 65 6.058 17.128 -2.091 1.00 3.77 H new ATOM 0 HE2 LYS A 65 6.928 19.280 -3.075 1.00 3.79 H new ATOM 0 HE3 LYS A 65 7.352 18.402 -4.531 1.00 3.79 H new ATOM 0 HZ1 LYS A 65 5.281 19.265 -5.004 1.00 4.11 H new ATOM 0 HZ2 LYS A 65 4.896 17.684 -4.517 1.00 4.11 H new ATOM 0 HZ3 LYS A 65 4.669 18.982 -3.446 1.00 4.11 H new ATOM 1059 N LYS A 66 10.152 13.098 -0.576 1.00 2.75 N ATOM 1060 CA LYS A 66 10.240 11.896 0.249 1.00 2.95 C ATOM 1061 C LYS A 66 11.626 11.825 0.878 1.00 3.53 C ATOM 1062 O LYS A 66 12.530 11.210 0.260 1.00 3.96 O ATOM 1063 CB LYS A 66 9.994 10.622 -0.568 1.00 2.95 C ATOM 1064 CG LYS A 66 10.093 9.350 0.269 1.00 3.03 C ATOM 1065 CD LYS A 66 10.233 8.108 -0.595 1.00 3.31 C ATOM 1066 CE LYS A 66 11.424 8.211 -1.538 1.00 3.21 C ATOM 1067 NZ LYS A 66 12.678 8.558 -0.818 1.00 3.29 N ATOM 1068 OXT LYS A 66 11.817 12.410 1.960 1.00 4.01 O ATOM 0 H LYS A 66 10.987 13.682 -0.547 1.00 2.75 H new ATOM 0 HA LYS A 66 9.468 11.957 1.016 1.00 2.95 H new ATOM 0 HB2 LYS A 66 9.005 10.674 -1.024 1.00 2.95 H new ATOM 0 HB3 LYS A 66 10.718 10.573 -1.381 1.00 2.95 H new ATOM 0 HG2 LYS A 66 10.949 9.423 0.940 1.00 3.03 H new ATOM 0 HG3 LYS A 66 9.205 9.258 0.895 1.00 3.03 H new ATOM 0 HD2 LYS A 66 10.348 7.232 0.043 1.00 3.31 H new ATOM 0 HD3 LYS A 66 9.321 7.963 -1.174 1.00 3.31 H new ATOM 0 HE2 LYS A 66 11.556 7.263 -2.060 1.00 3.21 H new ATOM 0 HE3 LYS A 66 11.221 8.967 -2.297 1.00 3.21 H new ATOM 0 HZ1 LYS A 66 13.484 8.485 -1.471 1.00 3.29 H new ATOM 0 HZ2 LYS A 66 12.612 9.531 -0.455 1.00 3.29 H new ATOM 0 HZ3 LYS A 66 12.815 7.901 -0.024 1.00 3.29 H new