USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=15 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 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 34 TYR OH : rot -10:sc= 1.06 USER MOD Single : A 3 LYS NZ :NH3+ 128:sc= 1.3 (180deg=0.573) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -161:sc= -0.58! (180deg=-1.57!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -41:sc= 1.23 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 1.09 (180deg=0.765) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= 1.23 (180deg=1.03) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 1.1 (180deg=1.08) USER MOD Single : A 57 MET CE :methyl -138:sc= -0.149 (180deg=-0.676) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -114:sc= 1.27 (180deg=0.102) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -4.629 -5.043 -3.131 1.00 1.32 N ATOM 37 CA LYS A 3 -5.289 -4.897 -1.842 1.00 1.00 C ATOM 38 C LYS A 3 -4.266 -5.037 -0.722 1.00 1.03 C ATOM 39 O LYS A 3 -3.144 -5.487 -0.955 1.00 1.56 O ATOM 40 CB LYS A 3 -6.410 -5.929 -1.691 1.00 1.17 C ATOM 41 CG LYS A 3 -5.969 -7.365 -1.923 1.00 1.44 C ATOM 42 CD LYS A 3 -7.166 -8.302 -1.991 1.00 1.73 C ATOM 43 CE LYS A 3 -7.899 -8.382 -0.660 1.00 2.34 C ATOM 44 NZ LYS A 3 -9.197 -9.099 -0.778 1.00 3.09 N ATOM 0 HA LYS A 3 -5.739 -3.906 -1.783 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -6.831 -5.847 -0.689 1.00 1.17 H new ATOM 0 HB3 LYS A 3 -7.208 -5.688 -2.393 1.00 1.17 H new ATOM 0 HG2 LYS A 3 -5.400 -7.429 -2.851 1.00 1.44 H new ATOM 0 HG3 LYS A 3 -5.303 -7.679 -1.119 1.00 1.44 H new ATOM 0 HD2 LYS A 3 -7.853 -7.958 -2.764 1.00 1.73 H new ATOM 0 HD3 LYS A 3 -6.832 -9.298 -2.282 1.00 1.73 H new ATOM 0 HE2 LYS A 3 -7.269 -8.891 0.070 1.00 2.34 H new ATOM 0 HE3 LYS A 3 -8.075 -7.375 -0.282 1.00 2.34 H new ATOM 0 HZ1 LYS A 3 -9.245 -9.851 -0.061 1.00 3.09 H new ATOM 0 HZ2 LYS A 3 -9.978 -8.429 -0.630 1.00 3.09 H new ATOM 0 HZ3 LYS A 3 -9.276 -9.519 -1.726 1.00 3.09 H new ATOM 58 N VAL A 4 -4.655 -4.684 0.489 1.00 0.84 N ATOM 59 CA VAL A 4 -3.729 -4.670 1.607 1.00 0.90 C ATOM 60 C VAL A 4 -3.813 -5.961 2.417 1.00 0.82 C ATOM 61 O VAL A 4 -4.764 -6.172 3.163 1.00 0.85 O ATOM 62 CB VAL A 4 -4.005 -3.482 2.544 1.00 1.06 C ATOM 63 CG1 VAL A 4 -2.925 -3.380 3.604 1.00 1.46 C ATOM 64 CG2 VAL A 4 -4.119 -2.184 1.757 1.00 1.31 C ATOM 0 H VAL A 4 -5.607 -4.403 0.724 1.00 0.84 H new ATOM 0 HA VAL A 4 -2.729 -4.575 1.183 1.00 0.90 H new ATOM 0 HB VAL A 4 -4.959 -3.654 3.043 1.00 1.06 H new ATOM 0 HG11 VAL A 4 -3.136 -2.534 4.258 1.00 1.46 H new ATOM 0 HG12 VAL A 4 -2.905 -4.297 4.192 1.00 1.46 H new ATOM 0 HG13 VAL A 4 -1.957 -3.235 3.124 1.00 1.46 H new ATOM 0 HG21 VAL A 4 -4.314 -1.359 2.442 1.00 1.31 H new ATOM 0 HG22 VAL A 4 -3.187 -1.999 1.223 1.00 1.31 H new ATOM 0 HG23 VAL A 4 -4.938 -2.263 1.042 1.00 1.31 H new ATOM 74 N LYS A 5 -2.817 -6.821 2.261 1.00 0.79 N ATOM 75 CA LYS A 5 -2.734 -8.044 3.047 1.00 0.77 C ATOM 76 C LYS A 5 -1.678 -7.899 4.139 1.00 0.78 C ATOM 77 O LYS A 5 -0.735 -8.684 4.233 1.00 1.45 O ATOM 78 CB LYS A 5 -2.423 -9.251 2.162 1.00 0.93 C ATOM 79 CG LYS A 5 -3.517 -9.562 1.157 1.00 1.38 C ATOM 80 CD LYS A 5 -3.361 -10.958 0.584 1.00 1.91 C ATOM 81 CE LYS A 5 -4.439 -11.259 -0.441 1.00 2.43 C ATOM 82 NZ LYS A 5 -4.484 -12.701 -0.793 1.00 2.70 N ATOM 0 H LYS A 5 -2.054 -6.694 1.596 1.00 0.79 H new ATOM 0 HA LYS A 5 -3.705 -8.212 3.514 1.00 0.77 H new ATOM 0 HB2 LYS A 5 -1.491 -9.069 1.628 1.00 0.93 H new ATOM 0 HB3 LYS A 5 -2.263 -10.124 2.795 1.00 0.93 H new ATOM 0 HG2 LYS A 5 -4.491 -9.471 1.637 1.00 1.38 H new ATOM 0 HG3 LYS A 5 -3.490 -8.830 0.349 1.00 1.38 H new ATOM 0 HD2 LYS A 5 -2.379 -11.055 0.121 1.00 1.91 H new ATOM 0 HD3 LYS A 5 -3.408 -11.691 1.389 1.00 1.91 H new ATOM 0 HE2 LYS A 5 -5.408 -10.951 -0.049 1.00 2.43 H new ATOM 0 HE3 LYS A 5 -4.258 -10.671 -1.341 1.00 2.43 H new ATOM 0 HZ1 LYS A 5 -5.233 -12.864 -1.495 1.00 2.70 H new ATOM 0 HZ2 LYS A 5 -3.568 -12.990 -1.191 1.00 2.70 H new ATOM 0 HZ3 LYS A 5 -4.682 -13.261 0.061 1.00 2.70 H new ATOM 96 N PHE A 6 -1.836 -6.849 4.928 1.00 0.58 N ATOM 97 CA PHE A 6 -0.983 -6.584 6.077 1.00 0.57 C ATOM 98 C PHE A 6 -1.020 -7.719 7.095 1.00 0.58 C ATOM 99 O PHE A 6 -1.898 -8.578 7.071 1.00 0.85 O ATOM 100 CB PHE A 6 -1.439 -5.288 6.753 1.00 0.59 C ATOM 101 CG PHE A 6 -2.826 -5.362 7.346 1.00 0.58 C ATOM 102 CD1 PHE A 6 -3.938 -5.557 6.540 1.00 0.60 C ATOM 103 CD2 PHE A 6 -3.015 -5.235 8.712 1.00 0.65 C ATOM 104 CE1 PHE A 6 -5.205 -5.629 7.085 1.00 0.65 C ATOM 105 CE2 PHE A 6 -4.284 -5.302 9.261 1.00 0.70 C ATOM 106 CZ PHE A 6 -5.378 -5.501 8.446 1.00 0.67 C ATOM 0 H PHE A 6 -2.566 -6.150 4.789 1.00 0.58 H new ATOM 0 HA PHE A 6 0.042 -6.494 5.717 1.00 0.57 H new ATOM 0 HB2 PHE A 6 -0.731 -5.032 7.541 1.00 0.59 H new ATOM 0 HB3 PHE A 6 -1.409 -4.479 6.023 1.00 0.59 H new ATOM 0 HD1 PHE A 6 -3.811 -5.654 5.472 1.00 0.60 H new ATOM 0 HD2 PHE A 6 -2.162 -5.082 9.357 1.00 0.65 H new ATOM 0 HE1 PHE A 6 -6.060 -5.786 6.444 1.00 0.65 H new ATOM 0 HE2 PHE A 6 -4.417 -5.198 10.328 1.00 0.70 H new ATOM 0 HZ PHE A 6 -6.368 -5.556 8.873 1.00 0.67 H new ATOM 116 N LYS A 7 -0.069 -7.700 8.007 1.00 0.53 N ATOM 117 CA LYS A 7 -0.034 -8.673 9.077 1.00 0.57 C ATOM 118 C LYS A 7 -0.533 -8.024 10.365 1.00 0.59 C ATOM 119 O LYS A 7 -0.067 -6.951 10.754 1.00 0.63 O ATOM 120 CB LYS A 7 1.374 -9.256 9.238 1.00 0.70 C ATOM 121 CG LYS A 7 2.459 -8.221 9.494 1.00 1.34 C ATOM 122 CD LYS A 7 3.852 -8.805 9.309 1.00 1.71 C ATOM 123 CE LYS A 7 4.291 -8.803 7.844 1.00 2.66 C ATOM 124 NZ LYS A 7 3.454 -9.684 6.979 1.00 3.64 N ATOM 0 H LYS A 7 0.691 -7.020 8.027 1.00 0.53 H new ATOM 0 HA LYS A 7 -0.693 -9.506 8.834 1.00 0.57 H new ATOM 0 HB2 LYS A 7 1.367 -9.968 10.063 1.00 0.70 H new ATOM 0 HB3 LYS A 7 1.628 -9.815 8.337 1.00 0.70 H new ATOM 0 HG2 LYS A 7 2.325 -7.379 8.815 1.00 1.34 H new ATOM 0 HG3 LYS A 7 2.359 -7.833 10.508 1.00 1.34 H new ATOM 0 HD2 LYS A 7 4.566 -8.232 9.901 1.00 1.71 H new ATOM 0 HD3 LYS A 7 3.869 -9.826 9.690 1.00 1.71 H new ATOM 0 HE2 LYS A 7 4.250 -7.783 7.461 1.00 2.66 H new ATOM 0 HE3 LYS A 7 5.330 -9.126 7.782 1.00 2.66 H new ATOM 0 HZ1 LYS A 7 3.968 -9.898 6.101 1.00 3.64 H new ATOM 0 HZ2 LYS A 7 3.247 -10.570 7.483 1.00 3.64 H new ATOM 0 HZ3 LYS A 7 2.563 -9.200 6.749 1.00 3.64 H new ATOM 138 N TYR A 8 -1.484 -8.672 11.015 1.00 0.61 N ATOM 139 CA TYR A 8 -2.188 -8.074 12.134 1.00 0.67 C ATOM 140 C TYR A 8 -2.343 -9.092 13.256 1.00 0.85 C ATOM 141 O TYR A 8 -2.810 -10.210 13.018 1.00 0.86 O ATOM 142 CB TYR A 8 -3.562 -7.595 11.662 1.00 0.63 C ATOM 143 CG TYR A 8 -4.201 -6.551 12.546 1.00 0.71 C ATOM 144 CD1 TYR A 8 -3.607 -5.308 12.713 1.00 0.88 C ATOM 145 CD2 TYR A 8 -5.406 -6.796 13.190 1.00 0.82 C ATOM 146 CE1 TYR A 8 -4.190 -4.341 13.502 1.00 1.03 C ATOM 147 CE2 TYR A 8 -6.001 -5.828 13.979 1.00 0.97 C ATOM 148 CZ TYR A 8 -5.385 -4.600 14.131 1.00 1.03 C ATOM 149 OH TYR A 8 -5.968 -3.621 14.906 1.00 1.23 O ATOM 0 H TYR A 8 -1.787 -9.618 10.784 1.00 0.61 H new ATOM 0 HA TYR A 8 -1.619 -7.225 12.513 1.00 0.67 H new ATOM 0 HB2 TYR A 8 -3.465 -7.189 10.655 1.00 0.63 H new ATOM 0 HB3 TYR A 8 -4.229 -8.454 11.596 1.00 0.63 H new ATOM 0 HD1 TYR A 8 -2.672 -5.095 12.216 1.00 0.88 H new ATOM 0 HD2 TYR A 8 -5.886 -7.756 13.073 1.00 0.82 H new ATOM 0 HE1 TYR A 8 -3.710 -3.382 13.626 1.00 1.03 H new ATOM 0 HE2 TYR A 8 -6.940 -6.030 14.473 1.00 0.97 H new ATOM 0 HH TYR A 8 -6.808 -3.958 15.281 1.00 1.23 H new ATOM 159 N LYS A 9 -1.913 -8.715 14.462 1.00 1.11 N ATOM 160 CA LYS A 9 -2.015 -9.567 15.652 1.00 1.36 C ATOM 161 C LYS A 9 -1.086 -10.779 15.567 1.00 1.30 C ATOM 162 O LYS A 9 -1.066 -11.624 16.463 1.00 1.73 O ATOM 163 CB LYS A 9 -3.454 -10.014 15.882 1.00 1.70 C ATOM 164 CG LYS A 9 -4.384 -8.861 16.204 1.00 1.73 C ATOM 165 CD LYS A 9 -5.412 -9.283 17.225 1.00 2.19 C ATOM 166 CE LYS A 9 -6.291 -10.403 16.697 1.00 2.65 C ATOM 167 NZ LYS A 9 -7.311 -10.837 17.686 1.00 2.90 N ATOM 0 H LYS A 9 -1.483 -7.808 14.643 1.00 1.11 H new ATOM 0 HA LYS A 9 -1.697 -8.966 16.504 1.00 1.36 H new ATOM 0 HB2 LYS A 9 -3.816 -10.529 14.992 1.00 1.70 H new ATOM 0 HB3 LYS A 9 -3.479 -10.734 16.700 1.00 1.70 H new ATOM 0 HG2 LYS A 9 -3.809 -8.017 16.585 1.00 1.73 H new ATOM 0 HG3 LYS A 9 -4.882 -8.523 15.295 1.00 1.73 H new ATOM 0 HD2 LYS A 9 -4.910 -9.611 18.135 1.00 2.19 H new ATOM 0 HD3 LYS A 9 -6.032 -8.428 17.494 1.00 2.19 H new ATOM 0 HE2 LYS A 9 -6.790 -10.071 15.787 1.00 2.65 H new ATOM 0 HE3 LYS A 9 -5.666 -11.254 16.426 1.00 2.65 H new ATOM 0 HZ1 LYS A 9 -7.886 -11.602 17.279 1.00 2.90 H new ATOM 0 HZ2 LYS A 9 -6.837 -11.180 18.546 1.00 2.90 H new ATOM 0 HZ3 LYS A 9 -7.926 -10.033 17.926 1.00 2.90 H new ATOM 181 N GLY A 10 -0.325 -10.862 14.485 1.00 1.10 N ATOM 182 CA GLY A 10 0.591 -11.967 14.304 1.00 1.12 C ATOM 183 C GLY A 10 0.173 -12.852 13.152 1.00 0.98 C ATOM 184 O GLY A 10 0.859 -13.817 12.812 1.00 1.11 O ATOM 0 H GLY A 10 -0.327 -10.180 13.727 1.00 1.10 H new ATOM 0 HA2 GLY A 10 1.595 -11.583 14.123 1.00 1.12 H new ATOM 0 HA3 GLY A 10 0.636 -12.557 15.219 1.00 1.12 H new ATOM 188 N GLU A 11 -0.950 -12.509 12.537 1.00 0.95 N ATOM 189 CA GLU A 11 -1.496 -13.285 11.436 1.00 1.20 C ATOM 190 C GLU A 11 -1.559 -12.423 10.186 1.00 1.00 C ATOM 191 O GLU A 11 -1.549 -11.199 10.270 1.00 1.38 O ATOM 192 CB GLU A 11 -2.900 -13.782 11.779 1.00 1.69 C ATOM 193 CG GLU A 11 -2.975 -14.574 13.069 1.00 2.37 C ATOM 194 CD GLU A 11 -4.379 -15.052 13.361 1.00 3.21 C ATOM 195 OE1 GLU A 11 -5.262 -14.199 13.587 1.00 3.81 O ATOM 196 OE2 GLU A 11 -4.608 -16.279 13.363 1.00 3.60 O ATOM 0 H GLU A 11 -1.504 -11.690 12.786 1.00 0.95 H new ATOM 0 HA GLU A 11 -0.849 -14.144 11.259 1.00 1.20 H new ATOM 0 HB2 GLU A 11 -3.570 -12.925 11.851 1.00 1.69 H new ATOM 0 HB3 GLU A 11 -3.264 -14.404 10.961 1.00 1.69 H new ATOM 0 HG2 GLU A 11 -2.306 -15.432 13.007 1.00 2.37 H new ATOM 0 HG3 GLU A 11 -2.624 -13.955 13.895 1.00 2.37 H new ATOM 203 N GLU A 12 -1.616 -13.059 9.034 1.00 0.98 N ATOM 204 CA GLU A 12 -1.704 -12.342 7.774 1.00 0.87 C ATOM 205 C GLU A 12 -3.166 -12.030 7.460 1.00 0.79 C ATOM 206 O GLU A 12 -3.956 -12.930 7.181 1.00 0.89 O ATOM 207 CB GLU A 12 -1.057 -13.171 6.667 1.00 1.13 C ATOM 208 CG GLU A 12 0.383 -13.539 6.987 1.00 1.80 C ATOM 209 CD GLU A 12 0.968 -14.565 6.039 1.00 2.11 C ATOM 210 OE1 GLU A 12 0.432 -15.692 5.977 1.00 2.30 O ATOM 211 OE2 GLU A 12 1.972 -14.256 5.365 1.00 2.43 O ATOM 0 H GLU A 12 -1.603 -14.075 8.942 1.00 0.98 H new ATOM 0 HA GLU A 12 -1.167 -11.396 7.846 1.00 0.87 H new ATOM 0 HB2 GLU A 12 -1.636 -14.081 6.512 1.00 1.13 H new ATOM 0 HB3 GLU A 12 -1.087 -12.611 5.732 1.00 1.13 H new ATOM 0 HG2 GLU A 12 0.995 -12.638 6.958 1.00 1.80 H new ATOM 0 HG3 GLU A 12 0.434 -13.926 8.005 1.00 1.80 H new ATOM 218 N LYS A 13 -3.517 -10.753 7.512 1.00 0.71 N ATOM 219 CA LYS A 13 -4.900 -10.327 7.381 1.00 0.75 C ATOM 220 C LYS A 13 -5.084 -9.590 6.057 1.00 0.73 C ATOM 221 O LYS A 13 -4.110 -9.298 5.374 1.00 1.21 O ATOM 222 CB LYS A 13 -5.268 -9.414 8.554 1.00 0.96 C ATOM 223 CG LYS A 13 -6.685 -9.624 9.049 1.00 0.86 C ATOM 224 CD LYS A 13 -7.033 -8.730 10.231 1.00 1.44 C ATOM 225 CE LYS A 13 -8.464 -8.970 10.686 1.00 2.02 C ATOM 226 NZ LYS A 13 -8.832 -8.160 11.876 1.00 2.73 N ATOM 0 H LYS A 13 -2.855 -9.989 7.645 1.00 0.71 H new ATOM 0 HA LYS A 13 -5.555 -11.198 7.393 1.00 0.75 H new ATOM 0 HB2 LYS A 13 -4.573 -9.589 9.375 1.00 0.96 H new ATOM 0 HB3 LYS A 13 -5.146 -8.374 8.250 1.00 0.96 H new ATOM 0 HG2 LYS A 13 -7.383 -9.430 8.234 1.00 0.86 H new ATOM 0 HG3 LYS A 13 -6.814 -10.667 9.337 1.00 0.86 H new ATOM 0 HD2 LYS A 13 -6.347 -8.925 11.055 1.00 1.44 H new ATOM 0 HD3 LYS A 13 -6.906 -7.684 9.952 1.00 1.44 H new ATOM 0 HE2 LYS A 13 -9.145 -8.736 9.868 1.00 2.02 H new ATOM 0 HE3 LYS A 13 -8.595 -10.027 10.917 1.00 2.02 H new ATOM 0 HZ1 LYS A 13 -9.817 -8.363 12.143 1.00 2.73 H new ATOM 0 HZ2 LYS A 13 -8.202 -8.400 12.668 1.00 2.73 H new ATOM 0 HZ3 LYS A 13 -8.735 -7.149 11.651 1.00 2.73 H new ATOM 240 N GLU A 14 -6.323 -9.301 5.683 1.00 0.55 N ATOM 241 CA GLU A 14 -6.565 -8.575 4.449 1.00 0.54 C ATOM 242 C GLU A 14 -7.611 -7.475 4.625 1.00 0.65 C ATOM 243 O GLU A 14 -8.622 -7.653 5.313 1.00 0.88 O ATOM 244 CB GLU A 14 -6.984 -9.524 3.319 1.00 0.60 C ATOM 245 CG GLU A 14 -8.226 -10.352 3.620 1.00 1.38 C ATOM 246 CD GLU A 14 -8.776 -11.031 2.385 1.00 1.90 C ATOM 247 OE1 GLU A 14 -9.485 -10.369 1.594 1.00 2.39 O ATOM 248 OE2 GLU A 14 -8.505 -12.238 2.197 1.00 2.38 O ATOM 0 H GLU A 14 -7.161 -9.554 6.207 1.00 0.55 H new ATOM 0 HA GLU A 14 -5.623 -8.100 4.177 1.00 0.54 H new ATOM 0 HB2 GLU A 14 -7.162 -8.939 2.417 1.00 0.60 H new ATOM 0 HB3 GLU A 14 -6.156 -10.199 3.102 1.00 0.60 H new ATOM 0 HG2 GLU A 14 -7.985 -11.106 4.369 1.00 1.38 H new ATOM 0 HG3 GLU A 14 -8.993 -9.709 4.051 1.00 1.38 H new ATOM 255 N VAL A 15 -7.333 -6.331 4.018 1.00 0.68 N ATOM 256 CA VAL A 15 -8.284 -5.236 3.933 1.00 0.82 C ATOM 257 C VAL A 15 -8.204 -4.612 2.539 1.00 0.72 C ATOM 258 O VAL A 15 -7.118 -4.346 2.023 1.00 1.19 O ATOM 259 CB VAL A 15 -8.043 -4.164 5.029 1.00 1.20 C ATOM 260 CG1 VAL A 15 -6.699 -3.471 4.857 1.00 1.53 C ATOM 261 CG2 VAL A 15 -9.176 -3.149 5.042 1.00 2.11 C ATOM 0 H VAL A 15 -6.438 -6.137 3.569 1.00 0.68 H new ATOM 0 HA VAL A 15 -9.284 -5.636 4.103 1.00 0.82 H new ATOM 0 HB VAL A 15 -8.023 -4.676 5.991 1.00 1.20 H new ATOM 0 HG11 VAL A 15 -6.569 -2.728 5.644 1.00 1.53 H new ATOM 0 HG12 VAL A 15 -5.899 -4.209 4.919 1.00 1.53 H new ATOM 0 HG13 VAL A 15 -6.665 -2.979 3.885 1.00 1.53 H new ATOM 0 HG21 VAL A 15 -8.989 -2.405 5.817 1.00 2.11 H new ATOM 0 HG22 VAL A 15 -9.234 -2.656 4.072 1.00 2.11 H new ATOM 0 HG23 VAL A 15 -10.118 -3.658 5.247 1.00 2.11 H new ATOM 271 N ASP A 16 -9.353 -4.447 1.910 1.00 0.76 N ATOM 272 CA ASP A 16 -9.406 -3.948 0.542 1.00 0.98 C ATOM 273 C ASP A 16 -9.264 -2.431 0.475 1.00 0.91 C ATOM 274 O ASP A 16 -9.409 -1.724 1.472 1.00 1.57 O ATOM 275 CB ASP A 16 -10.695 -4.397 -0.146 1.00 1.33 C ATOM 276 CG ASP A 16 -10.690 -5.878 -0.470 1.00 1.87 C ATOM 277 OD1 ASP A 16 -11.018 -6.691 0.422 1.00 2.08 O ATOM 278 OD2 ASP A 16 -10.370 -6.242 -1.622 1.00 2.64 O ATOM 0 H ASP A 16 -10.264 -4.650 2.322 1.00 0.76 H new ATOM 0 HA ASP A 16 -8.555 -4.375 0.012 1.00 0.98 H new ATOM 0 HB2 ASP A 16 -11.545 -4.171 0.498 1.00 1.33 H new ATOM 0 HB3 ASP A 16 -10.831 -3.827 -1.065 1.00 1.33 H new ATOM 283 N THR A 17 -9.018 -1.970 -0.746 1.00 0.98 N ATOM 284 CA THR A 17 -8.617 -0.595 -1.043 1.00 0.92 C ATOM 285 C THR A 17 -9.657 0.445 -0.620 1.00 0.85 C ATOM 286 O THR A 17 -9.325 1.618 -0.426 1.00 1.17 O ATOM 287 CB THR A 17 -8.349 -0.465 -2.557 1.00 1.36 C ATOM 288 OG1 THR A 17 -7.359 -1.422 -2.947 1.00 1.66 O ATOM 289 CG2 THR A 17 -7.887 0.932 -2.942 1.00 1.86 C ATOM 0 H THR A 17 -9.093 -2.554 -1.579 1.00 0.98 H new ATOM 0 HA THR A 17 -7.716 -0.392 -0.464 1.00 0.92 H new ATOM 0 HB THR A 17 -9.288 -0.654 -3.077 1.00 1.36 H new ATOM 0 HG1 THR A 17 -6.657 -1.463 -2.265 1.00 1.66 H new ATOM 0 HG21 THR A 17 -7.711 0.974 -4.017 1.00 1.86 H new ATOM 0 HG22 THR A 17 -8.655 1.657 -2.671 1.00 1.86 H new ATOM 0 HG23 THR A 17 -6.963 1.168 -2.414 1.00 1.86 H new ATOM 297 N SER A 18 -10.900 0.029 -0.468 1.00 0.73 N ATOM 298 CA SER A 18 -11.934 0.949 -0.031 1.00 0.86 C ATOM 299 C SER A 18 -11.690 1.396 1.410 1.00 0.82 C ATOM 300 O SER A 18 -11.862 2.572 1.742 1.00 1.13 O ATOM 301 CB SER A 18 -13.310 0.293 -0.154 1.00 1.16 C ATOM 302 OG SER A 18 -13.532 -0.171 -1.475 1.00 1.81 O ATOM 0 H SER A 18 -11.216 -0.926 -0.638 1.00 0.73 H new ATOM 0 HA SER A 18 -11.902 1.830 -0.673 1.00 0.86 H new ATOM 0 HB2 SER A 18 -13.384 -0.540 0.546 1.00 1.16 H new ATOM 0 HB3 SER A 18 -14.085 1.009 0.119 1.00 1.16 H new ATOM 0 HG SER A 18 -14.417 -0.588 -1.531 1.00 1.81 H new ATOM 308 N LYS A 19 -11.283 0.474 2.271 1.00 0.68 N ATOM 309 CA LYS A 19 -11.048 0.792 3.666 1.00 0.75 C ATOM 310 C LYS A 19 -9.560 0.867 3.979 1.00 0.68 C ATOM 311 O LYS A 19 -9.032 0.094 4.778 1.00 1.06 O ATOM 312 CB LYS A 19 -11.756 -0.230 4.556 1.00 0.99 C ATOM 313 CG LYS A 19 -13.250 0.015 4.634 1.00 1.25 C ATOM 314 CD LYS A 19 -14.003 -1.146 5.251 1.00 1.92 C ATOM 315 CE LYS A 19 -15.456 -0.768 5.487 1.00 2.22 C ATOM 316 NZ LYS A 19 -16.328 -1.956 5.660 1.00 3.07 N ATOM 0 H LYS A 19 -11.109 -0.500 2.024 1.00 0.68 H new ATOM 0 HA LYS A 19 -11.463 1.779 3.871 1.00 0.75 H new ATOM 0 HB2 LYS A 19 -11.574 -1.233 4.170 1.00 0.99 H new ATOM 0 HB3 LYS A 19 -11.331 -0.192 5.559 1.00 0.99 H new ATOM 0 HG2 LYS A 19 -13.436 0.915 5.220 1.00 1.25 H new ATOM 0 HG3 LYS A 19 -13.636 0.201 3.632 1.00 1.25 H new ATOM 0 HD2 LYS A 19 -13.948 -2.014 4.594 1.00 1.92 H new ATOM 0 HD3 LYS A 19 -13.537 -1.430 6.194 1.00 1.92 H new ATOM 0 HE2 LYS A 19 -15.525 -0.138 6.373 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -15.816 -0.176 4.646 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -17.308 -1.647 5.818 1.00 3.07 H new ATOM 0 HZ2 LYS A 19 -16.285 -2.546 4.805 1.00 3.07 H new ATOM 0 HZ3 LYS A 19 -16.003 -2.509 6.479 1.00 3.07 H new ATOM 330 N ILE A 20 -8.892 1.814 3.340 1.00 0.74 N ATOM 331 CA ILE A 20 -7.504 2.121 3.633 1.00 0.71 C ATOM 332 C ILE A 20 -7.269 3.605 3.328 1.00 0.78 C ATOM 333 O ILE A 20 -7.354 4.052 2.184 1.00 1.22 O ATOM 334 CB ILE A 20 -6.515 1.185 2.863 1.00 1.02 C ATOM 335 CG1 ILE A 20 -5.054 1.400 3.316 1.00 1.33 C ATOM 336 CG2 ILE A 20 -6.643 1.341 1.354 1.00 1.79 C ATOM 337 CD1 ILE A 20 -4.369 2.620 2.731 1.00 1.72 C ATOM 0 H ILE A 20 -9.298 2.391 2.603 1.00 0.74 H new ATOM 0 HA ILE A 20 -7.302 1.934 4.688 1.00 0.71 H new ATOM 0 HB ILE A 20 -6.795 0.162 3.114 1.00 1.02 H new ATOM 0 HG12 ILE A 20 -5.035 1.479 4.403 1.00 1.33 H new ATOM 0 HG13 ILE A 20 -4.474 0.516 3.051 1.00 1.33 H new ATOM 0 HG21 ILE A 20 -5.939 0.673 0.858 1.00 1.79 H new ATOM 0 HG22 ILE A 20 -7.658 1.090 1.047 1.00 1.79 H new ATOM 0 HG23 ILE A 20 -6.424 2.372 1.075 1.00 1.79 H new ATOM 0 HD11 ILE A 20 -3.349 2.682 3.110 1.00 1.72 H new ATOM 0 HD12 ILE A 20 -4.348 2.539 1.644 1.00 1.72 H new ATOM 0 HD13 ILE A 20 -4.917 3.517 3.017 1.00 1.72 H new ATOM 349 N LYS A 21 -7.030 4.368 4.382 1.00 0.62 N ATOM 350 CA LYS A 21 -6.954 5.824 4.276 1.00 0.88 C ATOM 351 C LYS A 21 -5.517 6.314 4.243 1.00 0.78 C ATOM 352 O LYS A 21 -5.111 7.006 3.310 1.00 1.17 O ATOM 353 CB LYS A 21 -7.700 6.491 5.439 1.00 1.13 C ATOM 354 CG LYS A 21 -9.195 6.682 5.201 1.00 1.52 C ATOM 355 CD LYS A 21 -9.911 5.364 4.956 1.00 1.92 C ATOM 356 CE LYS A 21 -11.398 5.574 4.710 1.00 2.23 C ATOM 357 NZ LYS A 21 -12.080 4.313 4.316 1.00 2.46 N ATOM 0 H LYS A 21 -6.884 4.007 5.325 1.00 0.62 H new ATOM 0 HA LYS A 21 -7.429 6.102 3.335 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -7.561 5.889 6.337 1.00 1.13 H new ATOM 0 HB3 LYS A 21 -7.248 7.464 5.635 1.00 1.13 H new ATOM 0 HG2 LYS A 21 -9.638 7.179 6.064 1.00 1.52 H new ATOM 0 HG3 LYS A 21 -9.344 7.339 4.344 1.00 1.52 H new ATOM 0 HD2 LYS A 21 -9.466 4.862 4.097 1.00 1.92 H new ATOM 0 HD3 LYS A 21 -9.772 4.708 5.816 1.00 1.92 H new ATOM 0 HE2 LYS A 21 -11.862 5.971 5.613 1.00 2.23 H new ATOM 0 HE3 LYS A 21 -11.534 6.320 3.927 1.00 2.23 H new ATOM 0 HZ1 LYS A 21 -13.107 4.472 4.273 1.00 2.46 H new ATOM 0 HZ2 LYS A 21 -11.737 4.010 3.382 1.00 2.46 H new ATOM 0 HZ3 LYS A 21 -11.873 3.573 5.017 1.00 2.46 H new ATOM 371 N LYS A 22 -4.748 5.952 5.252 1.00 0.67 N ATOM 372 CA LYS A 22 -3.398 6.465 5.382 1.00 0.70 C ATOM 373 C LYS A 22 -2.361 5.437 4.969 1.00 0.51 C ATOM 374 O LYS A 22 -2.320 4.333 5.503 1.00 0.50 O ATOM 375 CB LYS A 22 -3.130 6.920 6.816 1.00 1.07 C ATOM 376 CG LYS A 22 -3.749 8.263 7.166 1.00 1.44 C ATOM 377 CD LYS A 22 -3.163 9.372 6.309 1.00 2.03 C ATOM 378 CE LYS A 22 -3.639 10.744 6.750 1.00 2.77 C ATOM 379 NZ LYS A 22 -3.079 11.818 5.890 1.00 3.08 N ATOM 0 H LYS A 22 -5.033 5.308 5.990 1.00 0.67 H new ATOM 0 HA LYS A 22 -3.314 7.319 4.710 1.00 0.70 H new ATOM 0 HB2 LYS A 22 -3.513 6.165 7.503 1.00 1.07 H new ATOM 0 HB3 LYS A 22 -2.053 6.976 6.973 1.00 1.07 H new ATOM 0 HG2 LYS A 22 -4.828 8.219 7.022 1.00 1.44 H new ATOM 0 HG3 LYS A 22 -3.577 8.483 8.220 1.00 1.44 H new ATOM 0 HD2 LYS A 22 -2.075 9.332 6.359 1.00 2.03 H new ATOM 0 HD3 LYS A 22 -3.440 9.210 5.267 1.00 2.03 H new ATOM 0 HE2 LYS A 22 -4.728 10.780 6.716 1.00 2.77 H new ATOM 0 HE3 LYS A 22 -3.346 10.916 7.786 1.00 2.77 H new ATOM 0 HZ1 LYS A 22 -3.425 12.742 6.219 1.00 3.08 H new ATOM 0 HZ2 LYS A 22 -2.040 11.798 5.942 1.00 3.08 H new ATOM 0 HZ3 LYS A 22 -3.379 11.667 4.906 1.00 3.08 H new ATOM 393 N VAL A 23 -1.535 5.815 4.011 1.00 0.49 N ATOM 394 CA VAL A 23 -0.364 5.043 3.647 1.00 0.49 C ATOM 395 C VAL A 23 0.875 5.785 4.145 1.00 0.51 C ATOM 396 O VAL A 23 1.242 6.841 3.626 1.00 0.63 O ATOM 397 CB VAL A 23 -0.290 4.785 2.116 1.00 0.64 C ATOM 398 CG1 VAL A 23 -0.395 6.080 1.319 1.00 1.56 C ATOM 399 CG2 VAL A 23 0.986 4.035 1.762 1.00 1.29 C ATOM 0 H VAL A 23 -1.658 6.667 3.464 1.00 0.49 H new ATOM 0 HA VAL A 23 -0.422 4.061 4.117 1.00 0.49 H new ATOM 0 HB VAL A 23 -1.145 4.166 1.844 1.00 0.64 H new ATOM 0 HG11 VAL A 23 -0.339 5.857 0.254 1.00 1.56 H new ATOM 0 HG12 VAL A 23 -1.345 6.566 1.539 1.00 1.56 H new ATOM 0 HG13 VAL A 23 0.424 6.744 1.594 1.00 1.56 H new ATOM 0 HG21 VAL A 23 1.021 3.863 0.686 1.00 1.29 H new ATOM 0 HG22 VAL A 23 1.851 4.626 2.063 1.00 1.29 H new ATOM 0 HG23 VAL A 23 1.002 3.078 2.283 1.00 1.29 H new ATOM 409 N ALA A 24 1.505 5.252 5.177 1.00 0.45 N ATOM 410 CA ALA A 24 2.542 5.990 5.873 1.00 0.51 C ATOM 411 C ALA A 24 3.840 5.211 5.923 1.00 0.46 C ATOM 412 O ALA A 24 3.881 4.053 6.345 1.00 0.44 O ATOM 413 CB ALA A 24 2.082 6.356 7.276 1.00 0.65 C ATOM 0 H ALA A 24 1.319 4.320 5.548 1.00 0.45 H new ATOM 0 HA ALA A 24 2.730 6.908 5.315 1.00 0.51 H new ATOM 0 HB1 ALA A 24 2.871 6.909 7.785 1.00 0.65 H new ATOM 0 HB2 ALA A 24 1.186 6.974 7.216 1.00 0.65 H new ATOM 0 HB3 ALA A 24 1.858 5.447 7.834 1.00 0.65 H new ATOM 419 N ARG A 25 4.895 5.857 5.471 1.00 0.60 N ATOM 420 CA ARG A 25 6.218 5.267 5.472 1.00 0.65 C ATOM 421 C ARG A 25 6.953 5.669 6.745 1.00 0.67 C ATOM 422 O ARG A 25 6.802 6.793 7.223 1.00 0.76 O ATOM 423 CB ARG A 25 6.989 5.740 4.237 1.00 0.86 C ATOM 424 CG ARG A 25 8.054 4.766 3.765 1.00 1.27 C ATOM 425 CD ARG A 25 8.613 5.186 2.417 1.00 1.80 C ATOM 426 NE ARG A 25 9.366 4.111 1.775 1.00 2.24 N ATOM 427 CZ ARG A 25 9.486 3.969 0.456 1.00 2.94 C ATOM 428 NH1 ARG A 25 8.922 4.841 -0.371 1.00 3.40 N ATOM 429 NH2 ARG A 25 10.161 2.947 -0.037 1.00 3.61 N ATOM 0 H ARG A 25 4.860 6.804 5.093 1.00 0.60 H new ATOM 0 HA ARG A 25 6.137 4.180 5.441 1.00 0.65 H new ATOM 0 HB2 ARG A 25 6.283 5.913 3.425 1.00 0.86 H new ATOM 0 HB3 ARG A 25 7.460 6.698 4.460 1.00 0.86 H new ATOM 0 HG2 ARG A 25 8.859 4.718 4.498 1.00 1.27 H new ATOM 0 HG3 ARG A 25 7.630 3.765 3.691 1.00 1.27 H new ATOM 0 HD2 ARG A 25 7.795 5.494 1.766 1.00 1.80 H new ATOM 0 HD3 ARG A 25 9.260 6.053 2.548 1.00 1.80 H new ATOM 0 HE ARG A 25 9.828 3.427 2.374 1.00 2.24 H new ATOM 0 HH11 ARG A 25 8.391 5.628 0.002 1.00 3.40 H new ATOM 0 HH12 ARG A 25 9.019 4.724 -1.380 1.00 3.40 H new ATOM 0 HH21 ARG A 25 10.590 2.268 0.592 1.00 3.61 H new ATOM 0 HH22 ARG A 25 10.254 2.837 -1.047 1.00 3.61 H new ATOM 443 N VAL A 26 7.738 4.755 7.296 1.00 0.70 N ATOM 444 CA VAL A 26 8.481 5.038 8.517 1.00 0.81 C ATOM 445 C VAL A 26 9.971 4.816 8.283 1.00 0.92 C ATOM 446 O VAL A 26 10.702 5.762 7.993 1.00 1.51 O ATOM 447 CB VAL A 26 7.997 4.186 9.712 1.00 0.95 C ATOM 448 CG1 VAL A 26 8.727 4.579 10.988 1.00 1.32 C ATOM 449 CG2 VAL A 26 6.494 4.322 9.899 1.00 1.07 C ATOM 0 H VAL A 26 7.877 3.817 6.921 1.00 0.70 H new ATOM 0 HA VAL A 26 8.300 6.082 8.773 1.00 0.81 H new ATOM 0 HB VAL A 26 8.224 3.142 9.494 1.00 0.95 H new ATOM 0 HG11 VAL A 26 8.370 3.966 11.815 1.00 1.32 H new ATOM 0 HG12 VAL A 26 9.798 4.423 10.857 1.00 1.32 H new ATOM 0 HG13 VAL A 26 8.537 5.630 11.207 1.00 1.32 H new ATOM 0 HG21 VAL A 26 6.176 3.714 10.746 1.00 1.07 H new ATOM 0 HG22 VAL A 26 6.244 5.366 10.088 1.00 1.07 H new ATOM 0 HG23 VAL A 26 5.983 3.984 8.997 1.00 1.07 H new ATOM 459 N GLY A 27 10.423 3.574 8.405 1.00 0.93 N ATOM 460 CA GLY A 27 11.794 3.259 8.069 1.00 0.96 C ATOM 461 C GLY A 27 11.868 2.283 6.916 1.00 0.89 C ATOM 462 O GLY A 27 12.215 2.657 5.795 1.00 0.98 O ATOM 0 H GLY A 27 9.866 2.784 8.729 1.00 0.93 H new ATOM 0 HA2 GLY A 27 12.326 4.174 7.808 1.00 0.96 H new ATOM 0 HA3 GLY A 27 12.296 2.836 8.939 1.00 0.96 H new ATOM 466 N LYS A 28 11.529 1.033 7.187 1.00 0.91 N ATOM 467 CA LYS A 28 11.509 0.018 6.145 1.00 0.97 C ATOM 468 C LYS A 28 10.249 -0.833 6.234 1.00 0.77 C ATOM 469 O LYS A 28 10.137 -1.883 5.598 1.00 0.86 O ATOM 470 CB LYS A 28 12.759 -0.857 6.214 1.00 1.22 C ATOM 471 CG LYS A 28 12.939 -1.591 7.533 1.00 1.60 C ATOM 472 CD LYS A 28 14.159 -2.489 7.483 1.00 1.99 C ATOM 473 CE LYS A 28 14.058 -3.487 6.339 1.00 2.47 C ATOM 474 NZ LYS A 28 15.305 -4.273 6.170 1.00 3.21 N ATOM 0 H LYS A 28 11.265 0.698 8.114 1.00 0.91 H new ATOM 0 HA LYS A 28 11.503 0.528 5.182 1.00 0.97 H new ATOM 0 HB2 LYS A 28 12.721 -1.589 5.407 1.00 1.22 H new ATOM 0 HB3 LYS A 28 13.635 -0.233 6.037 1.00 1.22 H new ATOM 0 HG2 LYS A 28 13.044 -0.871 8.344 1.00 1.60 H new ATOM 0 HG3 LYS A 28 12.052 -2.186 7.748 1.00 1.60 H new ATOM 0 HD2 LYS A 28 15.056 -1.882 7.362 1.00 1.99 H new ATOM 0 HD3 LYS A 28 14.260 -3.023 8.428 1.00 1.99 H new ATOM 0 HE2 LYS A 28 13.225 -4.165 6.523 1.00 2.47 H new ATOM 0 HE3 LYS A 28 13.837 -2.955 5.413 1.00 2.47 H new ATOM 0 HZ1 LYS A 28 15.191 -4.940 5.380 1.00 3.21 H new ATOM 0 HZ2 LYS A 28 16.096 -3.629 5.968 1.00 3.21 H new ATOM 0 HZ3 LYS A 28 15.503 -4.802 7.043 1.00 3.21 H new ATOM 488 N MET A 29 9.306 -0.383 7.041 1.00 0.60 N ATOM 489 CA MET A 29 7.993 -0.992 7.085 1.00 0.52 C ATOM 490 C MET A 29 6.926 0.051 6.801 1.00 0.43 C ATOM 491 O MET A 29 7.160 1.255 6.935 1.00 0.47 O ATOM 492 CB MET A 29 7.735 -1.657 8.441 1.00 0.60 C ATOM 493 CG MET A 29 8.425 -3.001 8.608 1.00 1.39 C ATOM 494 SD MET A 29 8.054 -3.780 10.190 1.00 1.86 S ATOM 495 CE MET A 29 8.919 -5.336 10.008 1.00 2.42 C ATOM 0 H MET A 29 9.427 0.405 7.677 1.00 0.60 H new ATOM 0 HA MET A 29 7.952 -1.765 6.318 1.00 0.52 H new ATOM 0 HB2 MET A 29 8.069 -0.987 9.233 1.00 0.60 H new ATOM 0 HB3 MET A 29 6.661 -1.792 8.570 1.00 0.60 H new ATOM 0 HG2 MET A 29 8.119 -3.665 7.800 1.00 1.39 H new ATOM 0 HG3 MET A 29 9.503 -2.865 8.518 1.00 1.39 H new ATOM 0 HE1 MET A 29 8.785 -5.934 10.909 1.00 2.42 H new ATOM 0 HE2 MET A 29 8.519 -5.877 9.150 1.00 2.42 H new ATOM 0 HE3 MET A 29 9.981 -5.146 9.853 1.00 2.42 H new ATOM 505 N VAL A 30 5.760 -0.421 6.405 1.00 0.52 N ATOM 506 CA VAL A 30 4.639 0.444 6.102 1.00 0.45 C ATOM 507 C VAL A 30 3.659 0.429 7.258 1.00 0.44 C ATOM 508 O VAL A 30 2.942 -0.552 7.465 1.00 0.61 O ATOM 509 CB VAL A 30 3.904 -0.002 4.817 1.00 0.56 C ATOM 510 CG1 VAL A 30 2.866 1.031 4.405 1.00 0.54 C ATOM 511 CG2 VAL A 30 4.890 -0.256 3.690 1.00 0.61 C ATOM 0 H VAL A 30 5.564 -1.415 6.285 1.00 0.52 H new ATOM 0 HA VAL A 30 5.029 1.449 5.944 1.00 0.45 H new ATOM 0 HB VAL A 30 3.387 -0.938 5.029 1.00 0.56 H new ATOM 0 HG11 VAL A 30 2.361 0.697 3.499 1.00 0.54 H new ATOM 0 HG12 VAL A 30 2.135 1.151 5.205 1.00 0.54 H new ATOM 0 HG13 VAL A 30 3.358 1.985 4.216 1.00 0.54 H new ATOM 0 HG21 VAL A 30 4.349 -0.569 2.797 1.00 0.61 H new ATOM 0 HG22 VAL A 30 5.443 0.659 3.478 1.00 0.61 H new ATOM 0 HG23 VAL A 30 5.586 -1.041 3.986 1.00 0.61 H new ATOM 521 N SER A 31 3.648 1.506 8.018 1.00 0.35 N ATOM 522 CA SER A 31 2.735 1.635 9.135 1.00 0.39 C ATOM 523 C SER A 31 1.553 2.483 8.709 1.00 0.37 C ATOM 524 O SER A 31 1.536 3.698 8.896 1.00 0.48 O ATOM 525 CB SER A 31 3.450 2.251 10.333 1.00 0.53 C ATOM 526 OG SER A 31 4.628 1.525 10.633 1.00 1.25 O ATOM 0 H SER A 31 4.264 2.307 7.881 1.00 0.35 H new ATOM 0 HA SER A 31 2.375 0.651 9.435 1.00 0.39 H new ATOM 0 HB2 SER A 31 3.700 3.290 10.120 1.00 0.53 H new ATOM 0 HB3 SER A 31 2.787 2.254 11.198 1.00 0.53 H new ATOM 0 HG SER A 31 5.077 1.933 11.403 1.00 1.25 H new ATOM 532 N PHE A 32 0.565 1.821 8.140 1.00 0.34 N ATOM 533 CA PHE A 32 -0.537 2.499 7.488 1.00 0.34 C ATOM 534 C PHE A 32 -1.761 2.523 8.392 1.00 0.34 C ATOM 535 O PHE A 32 -1.870 1.727 9.332 1.00 0.35 O ATOM 536 CB PHE A 32 -0.870 1.806 6.160 1.00 0.35 C ATOM 537 CG PHE A 32 -1.478 0.444 6.330 1.00 0.37 C ATOM 538 CD1 PHE A 32 -0.676 -0.675 6.469 1.00 0.49 C ATOM 539 CD2 PHE A 32 -2.856 0.288 6.366 1.00 0.42 C ATOM 540 CE1 PHE A 32 -1.236 -1.924 6.638 1.00 0.61 C ATOM 541 CE2 PHE A 32 -3.419 -0.957 6.537 1.00 0.53 C ATOM 542 CZ PHE A 32 -2.610 -2.062 6.675 1.00 0.61 C ATOM 0 H PHE A 32 0.504 0.803 8.117 1.00 0.34 H new ATOM 0 HA PHE A 32 -0.240 3.528 7.285 1.00 0.34 H new ATOM 0 HB2 PHE A 32 -1.558 2.434 5.594 1.00 0.35 H new ATOM 0 HB3 PHE A 32 0.041 1.717 5.568 1.00 0.35 H new ATOM 0 HD1 PHE A 32 0.399 -0.569 6.445 1.00 0.49 H new ATOM 0 HD2 PHE A 32 -3.494 1.153 6.259 1.00 0.42 H new ATOM 0 HE1 PHE A 32 -0.602 -2.792 6.741 1.00 0.61 H new ATOM 0 HE2 PHE A 32 -4.493 -1.066 6.563 1.00 0.53 H new ATOM 0 HZ PHE A 32 -3.050 -3.039 6.812 1.00 0.61 H new ATOM 552 N THR A 33 -2.671 3.431 8.103 1.00 0.38 N ATOM 553 CA THR A 33 -3.899 3.547 8.855 1.00 0.46 C ATOM 554 C THR A 33 -5.088 3.104 8.007 1.00 0.50 C ATOM 555 O THR A 33 -5.402 3.712 6.977 1.00 0.62 O ATOM 556 CB THR A 33 -4.098 4.996 9.334 1.00 0.57 C ATOM 557 OG1 THR A 33 -2.935 5.431 10.052 1.00 1.17 O ATOM 558 CG2 THR A 33 -5.321 5.119 10.222 1.00 1.06 C ATOM 0 H THR A 33 -2.579 4.105 7.343 1.00 0.38 H new ATOM 0 HA THR A 33 -3.832 2.896 9.727 1.00 0.46 H new ATOM 0 HB THR A 33 -4.249 5.626 8.458 1.00 0.57 H new ATOM 0 HG1 THR A 33 -3.064 6.354 10.354 1.00 1.17 H new ATOM 0 HG21 THR A 33 -5.434 6.154 10.544 1.00 1.06 H new ATOM 0 HG22 THR A 33 -6.207 4.813 9.666 1.00 1.06 H new ATOM 0 HG23 THR A 33 -5.202 4.478 11.096 1.00 1.06 H new ATOM 566 N TYR A 34 -5.734 2.037 8.445 1.00 0.54 N ATOM 567 CA TYR A 34 -6.887 1.497 7.744 1.00 0.63 C ATOM 568 C TYR A 34 -8.124 1.728 8.599 1.00 0.70 C ATOM 569 O TYR A 34 -8.059 2.452 9.595 1.00 0.95 O ATOM 570 CB TYR A 34 -6.693 0.005 7.428 1.00 0.69 C ATOM 571 CG TYR A 34 -6.784 -0.922 8.624 1.00 0.64 C ATOM 572 CD1 TYR A 34 -5.726 -1.067 9.512 1.00 0.66 C ATOM 573 CD2 TYR A 34 -7.940 -1.659 8.859 1.00 0.76 C ATOM 574 CE1 TYR A 34 -5.818 -1.919 10.598 1.00 0.72 C ATOM 575 CE2 TYR A 34 -8.039 -2.509 9.941 1.00 0.81 C ATOM 576 CZ TYR A 34 -6.978 -2.636 10.807 1.00 0.75 C ATOM 577 OH TYR A 34 -7.079 -3.486 11.884 1.00 0.87 O ATOM 0 H TYR A 34 -5.478 1.524 9.289 1.00 0.54 H new ATOM 0 HA TYR A 34 -7.008 2.007 6.788 1.00 0.63 H new ATOM 0 HB2 TYR A 34 -7.443 -0.296 6.696 1.00 0.69 H new ATOM 0 HB3 TYR A 34 -5.718 -0.127 6.958 1.00 0.69 H new ATOM 0 HD1 TYR A 34 -4.817 -0.506 9.352 1.00 0.66 H new ATOM 0 HD2 TYR A 34 -8.776 -1.564 8.182 1.00 0.76 H new ATOM 0 HE1 TYR A 34 -4.986 -2.022 11.279 1.00 0.72 H new ATOM 0 HE2 TYR A 34 -8.945 -3.072 10.107 1.00 0.81 H new ATOM 0 HH TYR A 34 -6.200 -3.586 12.306 1.00 0.87 H new ATOM 587 N ASP A 35 -9.234 1.110 8.243 1.00 1.05 N ATOM 588 CA ASP A 35 -10.470 1.340 8.969 1.00 1.19 C ATOM 589 C ASP A 35 -11.422 0.170 8.802 1.00 1.20 C ATOM 590 O ASP A 35 -11.272 -0.652 7.897 1.00 1.46 O ATOM 591 CB ASP A 35 -11.151 2.640 8.517 1.00 1.51 C ATOM 592 CG ASP A 35 -11.832 2.525 7.167 1.00 1.63 C ATOM 593 OD1 ASP A 35 -11.152 2.700 6.137 1.00 2.12 O ATOM 594 OD2 ASP A 35 -13.055 2.284 7.134 1.00 1.99 O ATOM 0 H ASP A 35 -9.307 0.453 7.466 1.00 1.05 H new ATOM 0 HA ASP A 35 -10.214 1.437 10.024 1.00 1.19 H new ATOM 0 HB2 ASP A 35 -11.889 2.934 9.264 1.00 1.51 H new ATOM 0 HB3 ASP A 35 -10.407 3.435 8.474 1.00 1.51 H new ATOM 599 N ASP A 36 -12.386 0.101 9.699 1.00 1.24 N ATOM 600 CA ASP A 36 -13.506 -0.815 9.568 1.00 1.47 C ATOM 601 C ASP A 36 -14.779 0.014 9.576 1.00 1.69 C ATOM 602 O ASP A 36 -15.887 -0.495 9.759 1.00 2.10 O ATOM 603 CB ASP A 36 -13.522 -1.868 10.690 1.00 1.93 C ATOM 604 CG ASP A 36 -13.390 -1.281 12.083 1.00 2.68 C ATOM 605 OD1 ASP A 36 -14.182 -0.386 12.442 1.00 3.47 O ATOM 606 OD2 ASP A 36 -12.484 -1.719 12.829 1.00 2.88 O ATOM 0 H ASP A 36 -12.416 0.678 10.540 1.00 1.24 H new ATOM 0 HA ASP A 36 -13.418 -1.372 8.635 1.00 1.47 H new ATOM 0 HB2 ASP A 36 -14.452 -2.434 10.631 1.00 1.93 H new ATOM 0 HB3 ASP A 36 -12.708 -2.574 10.525 1.00 1.93 H new ATOM 611 N ASN A 37 -14.561 1.319 9.382 1.00 2.04 N ATOM 612 CA ASN A 37 -15.602 2.347 9.374 1.00 2.52 C ATOM 613 C ASN A 37 -16.102 2.639 10.789 1.00 2.87 C ATOM 614 O ASN A 37 -16.384 3.791 11.132 1.00 3.52 O ATOM 615 CB ASN A 37 -16.770 1.970 8.454 1.00 3.11 C ATOM 616 CG ASN A 37 -17.778 3.094 8.306 1.00 3.61 C ATOM 617 OD1 ASN A 37 -18.723 3.203 9.086 1.00 4.37 O ATOM 618 ND2 ASN A 37 -17.583 3.938 7.304 1.00 3.58 N ATOM 0 H ASN A 37 -13.628 1.698 9.222 1.00 2.04 H new ATOM 0 HA ASN A 37 -15.150 3.256 8.977 1.00 2.52 H new ATOM 0 HB2 ASN A 37 -16.382 1.702 7.471 1.00 3.11 H new ATOM 0 HB3 ASN A 37 -17.271 1.087 8.851 1.00 3.11 H new ATOM 0 HD21 ASN A 37 -18.229 4.713 7.157 1.00 3.58 H new ATOM 0 HD22 ASN A 37 -16.787 3.813 6.679 1.00 3.58 H new ATOM 625 N GLY A 38 -16.195 1.601 11.612 1.00 3.05 N ATOM 626 CA GLY A 38 -16.627 1.773 12.983 1.00 3.84 C ATOM 627 C GLY A 38 -15.559 2.422 13.839 1.00 3.87 C ATOM 628 O GLY A 38 -15.862 3.209 14.736 1.00 4.27 O ATOM 0 H GLY A 38 -15.977 0.639 11.351 1.00 3.05 H new ATOM 0 HA2 GLY A 38 -17.529 2.384 13.004 1.00 3.84 H new ATOM 0 HA3 GLY A 38 -16.889 0.803 13.405 1.00 3.84 H new ATOM 632 N LYS A 39 -14.307 2.083 13.572 1.00 3.58 N ATOM 633 CA LYS A 39 -13.179 2.684 14.269 1.00 3.65 C ATOM 634 C LYS A 39 -11.985 2.800 13.330 1.00 3.06 C ATOM 635 O LYS A 39 -11.941 2.150 12.281 1.00 3.00 O ATOM 636 CB LYS A 39 -12.781 1.844 15.486 1.00 3.97 C ATOM 637 CG LYS A 39 -12.139 0.515 15.123 1.00 4.01 C ATOM 638 CD LYS A 39 -11.588 -0.194 16.343 1.00 4.09 C ATOM 639 CE LYS A 39 -10.836 -1.458 15.958 1.00 4.30 C ATOM 640 NZ LYS A 39 -11.714 -2.437 15.266 1.00 4.81 N ATOM 0 H LYS A 39 -14.045 1.389 12.872 1.00 3.58 H new ATOM 0 HA LYS A 39 -13.480 3.676 14.606 1.00 3.65 H new ATOM 0 HB2 LYS A 39 -12.088 2.417 16.102 1.00 3.97 H new ATOM 0 HB3 LYS A 39 -13.667 1.657 16.093 1.00 3.97 H new ATOM 0 HG2 LYS A 39 -12.875 -0.123 14.633 1.00 4.01 H new ATOM 0 HG3 LYS A 39 -11.335 0.683 14.406 1.00 4.01 H new ATOM 0 HD2 LYS A 39 -10.922 0.477 16.885 1.00 4.09 H new ATOM 0 HD3 LYS A 39 -12.405 -0.447 17.019 1.00 4.09 H new ATOM 0 HE2 LYS A 39 -9.999 -1.199 15.309 1.00 4.30 H new ATOM 0 HE3 LYS A 39 -10.415 -1.917 16.853 1.00 4.30 H new ATOM 0 HZ1 LYS A 39 -11.402 -3.403 15.491 1.00 4.81 H new ATOM 0 HZ2 LYS A 39 -12.696 -2.308 15.584 1.00 4.81 H new ATOM 0 HZ3 LYS A 39 -11.660 -2.286 14.238 1.00 4.81 H new ATOM 654 N THR A 40 -11.033 3.638 13.707 1.00 2.83 N ATOM 655 CA THR A 40 -9.794 3.775 12.966 1.00 2.37 C ATOM 656 C THR A 40 -8.795 2.709 13.419 1.00 1.60 C ATOM 657 O THR A 40 -8.659 2.450 14.616 1.00 2.02 O ATOM 658 CB THR A 40 -9.200 5.182 13.181 1.00 2.76 C ATOM 659 OG1 THR A 40 -10.214 6.172 12.958 1.00 2.97 O ATOM 660 CG2 THR A 40 -8.035 5.437 12.241 1.00 3.08 C ATOM 0 H THR A 40 -11.098 4.238 14.530 1.00 2.83 H new ATOM 0 HA THR A 40 -10.000 3.639 11.904 1.00 2.37 H new ATOM 0 HB THR A 40 -8.836 5.243 14.206 1.00 2.76 H new ATOM 0 HG1 THR A 40 -9.835 7.065 13.097 1.00 2.97 H new ATOM 0 HG21 THR A 40 -7.638 6.437 12.417 1.00 3.08 H new ATOM 0 HG22 THR A 40 -7.253 4.699 12.422 1.00 3.08 H new ATOM 0 HG23 THR A 40 -8.376 5.359 11.209 1.00 3.08 H new ATOM 668 N GLY A 41 -8.108 2.087 12.470 1.00 1.15 N ATOM 669 CA GLY A 41 -7.190 1.016 12.805 1.00 0.83 C ATOM 670 C GLY A 41 -5.781 1.288 12.326 1.00 0.61 C ATOM 671 O GLY A 41 -5.563 2.152 11.480 1.00 0.62 O ATOM 0 H GLY A 41 -8.170 2.305 11.475 1.00 1.15 H new ATOM 0 HA2 GLY A 41 -7.182 0.874 13.886 1.00 0.83 H new ATOM 0 HA3 GLY A 41 -7.547 0.085 12.364 1.00 0.83 H new ATOM 675 N ARG A 42 -4.823 0.534 12.842 1.00 0.52 N ATOM 676 CA ARG A 42 -3.432 0.715 12.476 1.00 0.51 C ATOM 677 C ARG A 42 -2.790 -0.633 12.175 1.00 0.47 C ATOM 678 O ARG A 42 -2.856 -1.557 12.984 1.00 0.61 O ATOM 679 CB ARG A 42 -2.682 1.432 13.600 1.00 0.76 C ATOM 680 CG ARG A 42 -1.949 2.674 13.130 1.00 1.24 C ATOM 681 CD ARG A 42 -0.643 2.331 12.424 1.00 1.30 C ATOM 682 NE ARG A 42 0.410 1.962 13.372 1.00 1.86 N ATOM 683 CZ ARG A 42 1.296 0.985 13.183 1.00 2.34 C ATOM 684 NH1 ARG A 42 1.279 0.258 12.075 1.00 2.55 N ATOM 685 NH2 ARG A 42 2.213 0.736 14.108 1.00 3.13 N ATOM 0 H ARG A 42 -4.987 -0.212 13.518 1.00 0.52 H new ATOM 0 HA ARG A 42 -3.378 1.330 11.578 1.00 0.51 H new ATOM 0 HB2 ARG A 42 -3.390 1.709 14.381 1.00 0.76 H new ATOM 0 HB3 ARG A 42 -1.966 0.743 14.048 1.00 0.76 H new ATOM 0 HG2 ARG A 42 -2.590 3.239 12.453 1.00 1.24 H new ATOM 0 HG3 ARG A 42 -1.741 3.318 13.985 1.00 1.24 H new ATOM 0 HD2 ARG A 42 -0.811 1.508 11.730 1.00 1.30 H new ATOM 0 HD3 ARG A 42 -0.315 3.185 11.832 1.00 1.30 H new ATOM 0 HE ARG A 42 0.470 2.492 14.241 1.00 1.86 H new ATOM 0 HH11 ARG A 42 0.582 0.443 11.354 1.00 2.55 H new ATOM 0 HH12 ARG A 42 1.963 -0.487 11.943 1.00 2.55 H new ATOM 0 HH21 ARG A 42 2.239 1.292 14.963 1.00 3.13 H new ATOM 0 HH22 ARG A 42 2.892 -0.012 13.965 1.00 3.13 H new ATOM 699 N GLY A 43 -2.172 -0.732 11.010 1.00 0.40 N ATOM 700 CA GLY A 43 -1.582 -1.985 10.579 1.00 0.43 C ATOM 701 C GLY A 43 -0.199 -1.774 10.016 1.00 0.38 C ATOM 702 O GLY A 43 0.164 -0.644 9.682 1.00 0.39 O ATOM 0 H GLY A 43 -2.067 0.038 10.349 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -1.533 -2.675 11.421 1.00 0.43 H new ATOM 0 HA3 GLY A 43 -2.218 -2.448 9.824 1.00 0.43 H new ATOM 706 N ALA A 44 0.584 -2.835 9.913 1.00 0.38 N ATOM 707 CA ALA A 44 1.939 -2.711 9.405 1.00 0.39 C ATOM 708 C ALA A 44 2.327 -3.894 8.528 1.00 0.44 C ATOM 709 O ALA A 44 1.979 -5.042 8.809 1.00 0.53 O ATOM 710 CB ALA A 44 2.924 -2.569 10.556 1.00 0.46 C ATOM 0 H ALA A 44 0.308 -3.782 10.172 1.00 0.38 H new ATOM 0 HA ALA A 44 1.975 -1.814 8.786 1.00 0.39 H new ATOM 0 HB1 ALA A 44 3.935 -2.477 10.160 1.00 0.46 H new ATOM 0 HB2 ALA A 44 2.679 -1.680 11.137 1.00 0.46 H new ATOM 0 HB3 ALA A 44 2.864 -3.449 11.197 1.00 0.46 H new ATOM 716 N VAL A 45 3.029 -3.589 7.448 1.00 0.45 N ATOM 717 CA VAL A 45 3.576 -4.595 6.552 1.00 0.54 C ATOM 718 C VAL A 45 4.931 -4.106 6.037 1.00 0.47 C ATOM 719 O VAL A 45 5.149 -2.906 5.934 1.00 0.49 O ATOM 720 CB VAL A 45 2.611 -4.868 5.371 1.00 0.70 C ATOM 721 CG1 VAL A 45 2.450 -3.637 4.493 1.00 1.21 C ATOM 722 CG2 VAL A 45 3.073 -6.062 4.553 1.00 1.50 C ATOM 0 H VAL A 45 3.236 -2.631 7.167 1.00 0.45 H new ATOM 0 HA VAL A 45 3.703 -5.532 7.094 1.00 0.54 H new ATOM 0 HB VAL A 45 1.634 -5.106 5.792 1.00 0.70 H new ATOM 0 HG11 VAL A 45 1.767 -3.861 3.674 1.00 1.21 H new ATOM 0 HG12 VAL A 45 2.047 -2.817 5.087 1.00 1.21 H new ATOM 0 HG13 VAL A 45 3.420 -3.349 4.088 1.00 1.21 H new ATOM 0 HG21 VAL A 45 2.377 -6.231 3.731 1.00 1.50 H new ATOM 0 HG22 VAL A 45 4.068 -5.866 4.152 1.00 1.50 H new ATOM 0 HG23 VAL A 45 3.106 -6.947 5.188 1.00 1.50 H new ATOM 732 N SER A 46 5.850 -5.015 5.746 1.00 0.51 N ATOM 733 CA SER A 46 7.181 -4.618 5.300 1.00 0.62 C ATOM 734 C SER A 46 7.140 -4.107 3.862 1.00 0.74 C ATOM 735 O SER A 46 6.182 -4.382 3.144 1.00 1.13 O ATOM 736 CB SER A 46 8.143 -5.797 5.411 1.00 0.78 C ATOM 737 OG SER A 46 8.018 -6.432 6.673 1.00 1.26 O ATOM 0 H SER A 46 5.703 -6.022 5.809 1.00 0.51 H new ATOM 0 HA SER A 46 7.532 -3.810 5.941 1.00 0.62 H new ATOM 0 HB2 SER A 46 7.939 -6.514 4.616 1.00 0.78 H new ATOM 0 HB3 SER A 46 9.167 -5.451 5.273 1.00 0.78 H new ATOM 0 HG SER A 46 8.642 -7.186 6.723 1.00 1.26 H new ATOM 743 N GLU A 47 8.163 -3.374 3.440 1.00 0.64 N ATOM 744 CA GLU A 47 8.176 -2.800 2.096 1.00 0.78 C ATOM 745 C GLU A 47 8.121 -3.892 1.033 1.00 0.69 C ATOM 746 O GLU A 47 7.289 -3.851 0.128 1.00 0.81 O ATOM 747 CB GLU A 47 9.422 -1.942 1.879 1.00 1.15 C ATOM 748 CG GLU A 47 9.486 -0.698 2.749 1.00 1.53 C ATOM 749 CD GLU A 47 10.732 0.115 2.487 1.00 1.83 C ATOM 750 OE1 GLU A 47 11.783 -0.190 3.086 1.00 2.34 O ATOM 751 OE2 GLU A 47 10.668 1.071 1.693 1.00 2.01 O ATOM 0 H GLU A 47 8.988 -3.163 4.001 1.00 0.64 H new ATOM 0 HA GLU A 47 7.291 -2.171 2.003 1.00 0.78 H new ATOM 0 HB2 GLU A 47 10.306 -2.551 2.071 1.00 1.15 H new ATOM 0 HB3 GLU A 47 9.463 -1.641 0.832 1.00 1.15 H new ATOM 0 HG2 GLU A 47 8.606 -0.082 2.565 1.00 1.53 H new ATOM 0 HG3 GLU A 47 9.457 -0.989 3.799 1.00 1.53 H new ATOM 758 N LYS A 48 8.998 -4.876 1.159 1.00 0.67 N ATOM 759 CA LYS A 48 9.066 -5.963 0.190 1.00 0.76 C ATOM 760 C LYS A 48 7.839 -6.869 0.295 1.00 0.70 C ATOM 761 O LYS A 48 7.441 -7.504 -0.679 1.00 0.83 O ATOM 762 CB LYS A 48 10.340 -6.779 0.409 1.00 0.93 C ATOM 763 CG LYS A 48 10.531 -7.909 -0.590 1.00 1.63 C ATOM 764 CD LYS A 48 11.788 -8.712 -0.295 1.00 2.06 C ATOM 765 CE LYS A 48 11.748 -9.332 1.092 1.00 2.59 C ATOM 766 NZ LYS A 48 12.954 -10.152 1.368 1.00 3.35 N ATOM 0 H LYS A 48 9.672 -4.946 1.921 1.00 0.67 H new ATOM 0 HA LYS A 48 9.084 -5.529 -0.810 1.00 0.76 H new ATOM 0 HB2 LYS A 48 11.200 -6.112 0.356 1.00 0.93 H new ATOM 0 HB3 LYS A 48 10.323 -7.197 1.416 1.00 0.93 H new ATOM 0 HG2 LYS A 48 9.663 -8.568 -0.564 1.00 1.63 H new ATOM 0 HG3 LYS A 48 10.589 -7.498 -1.598 1.00 1.63 H new ATOM 0 HD2 LYS A 48 11.901 -9.498 -1.042 1.00 2.06 H new ATOM 0 HD3 LYS A 48 12.661 -8.065 -0.379 1.00 2.06 H new ATOM 0 HE2 LYS A 48 11.667 -8.543 1.840 1.00 2.59 H new ATOM 0 HE3 LYS A 48 10.857 -9.953 1.186 1.00 2.59 H new ATOM 0 HZ1 LYS A 48 12.887 -10.557 2.324 1.00 3.35 H new ATOM 0 HZ2 LYS A 48 13.018 -10.920 0.670 1.00 3.35 H new ATOM 0 HZ3 LYS A 48 13.803 -9.554 1.304 1.00 3.35 H new ATOM 780 N ASP A 49 7.238 -6.910 1.477 1.00 0.59 N ATOM 781 CA ASP A 49 6.096 -7.786 1.730 1.00 0.65 C ATOM 782 C ASP A 49 4.785 -7.052 1.459 1.00 0.66 C ATOM 783 O ASP A 49 3.698 -7.604 1.608 1.00 0.72 O ATOM 784 CB ASP A 49 6.148 -8.275 3.184 1.00 0.68 C ATOM 785 CG ASP A 49 5.154 -9.382 3.493 1.00 1.28 C ATOM 786 OD1 ASP A 49 4.990 -10.293 2.655 1.00 1.27 O ATOM 787 OD2 ASP A 49 4.561 -9.364 4.599 1.00 2.22 O ATOM 0 H ASP A 49 7.521 -6.347 2.279 1.00 0.59 H new ATOM 0 HA ASP A 49 6.145 -8.643 1.058 1.00 0.65 H new ATOM 0 HB2 ASP A 49 7.155 -8.632 3.402 1.00 0.68 H new ATOM 0 HB3 ASP A 49 5.958 -7.432 3.848 1.00 0.68 H new ATOM 792 N ALA A 50 4.903 -5.796 1.050 1.00 0.69 N ATOM 793 CA ALA A 50 3.744 -4.978 0.731 1.00 0.72 C ATOM 794 C ALA A 50 3.077 -5.452 -0.561 1.00 0.70 C ATOM 795 O ALA A 50 3.664 -5.377 -1.642 1.00 0.79 O ATOM 796 CB ALA A 50 4.138 -3.515 0.624 1.00 0.87 C ATOM 0 H ALA A 50 5.797 -5.320 0.931 1.00 0.69 H new ATOM 0 HA ALA A 50 3.022 -5.084 1.541 1.00 0.72 H new ATOM 0 HB1 ALA A 50 3.258 -2.918 0.385 1.00 0.87 H new ATOM 0 HB2 ALA A 50 4.556 -3.181 1.573 1.00 0.87 H new ATOM 0 HB3 ALA A 50 4.883 -3.395 -0.163 1.00 0.87 H new ATOM 802 N PRO A 51 1.834 -5.942 -0.460 1.00 0.65 N ATOM 803 CA PRO A 51 1.096 -6.478 -1.607 1.00 0.70 C ATOM 804 C PRO A 51 0.592 -5.387 -2.553 1.00 0.72 C ATOM 805 O PRO A 51 -0.544 -4.927 -2.440 1.00 1.01 O ATOM 806 CB PRO A 51 -0.073 -7.221 -0.959 1.00 0.72 C ATOM 807 CG PRO A 51 -0.288 -6.531 0.343 1.00 0.73 C ATOM 808 CD PRO A 51 1.055 -6.023 0.787 1.00 0.64 C ATOM 0 HA PRO A 51 1.725 -7.110 -2.234 1.00 0.70 H new ATOM 0 HB2 PRO A 51 -0.965 -7.175 -1.583 1.00 0.72 H new ATOM 0 HB3 PRO A 51 0.160 -8.276 -0.814 1.00 0.72 H new ATOM 0 HG2 PRO A 51 -0.996 -5.710 0.234 1.00 0.73 H new ATOM 0 HG3 PRO A 51 -0.706 -7.216 1.080 1.00 0.73 H new ATOM 0 HD2 PRO A 51 0.974 -5.050 1.271 1.00 0.64 H new ATOM 0 HD3 PRO A 51 1.520 -6.698 1.505 1.00 0.64 H new ATOM 816 N LYS A 52 1.462 -4.988 -3.476 1.00 0.61 N ATOM 817 CA LYS A 52 1.139 -4.024 -4.530 1.00 0.70 C ATOM 818 C LYS A 52 0.780 -2.651 -3.962 1.00 0.60 C ATOM 819 O LYS A 52 1.637 -1.787 -3.884 1.00 0.70 O ATOM 820 CB LYS A 52 0.008 -4.544 -5.431 1.00 1.04 C ATOM 821 CG LYS A 52 0.197 -4.223 -6.913 1.00 1.38 C ATOM 822 CD LYS A 52 0.192 -2.728 -7.196 1.00 2.01 C ATOM 823 CE LYS A 52 0.522 -2.446 -8.655 1.00 2.22 C ATOM 824 NZ LYS A 52 0.441 -0.997 -8.985 1.00 2.97 N ATOM 0 H LYS A 52 2.423 -5.327 -3.516 1.00 0.61 H new ATOM 0 HA LYS A 52 2.038 -3.906 -5.135 1.00 0.70 H new ATOM 0 HB2 LYS A 52 -0.071 -5.625 -5.311 1.00 1.04 H new ATOM 0 HB3 LYS A 52 -0.936 -4.116 -5.095 1.00 1.04 H new ATOM 0 HG2 LYS A 52 1.139 -4.650 -7.256 1.00 1.38 H new ATOM 0 HG3 LYS A 52 -0.597 -4.700 -7.488 1.00 1.38 H new ATOM 0 HD2 LYS A 52 -0.786 -2.312 -6.954 1.00 2.01 H new ATOM 0 HD3 LYS A 52 0.918 -2.230 -6.553 1.00 2.01 H new ATOM 0 HE2 LYS A 52 1.526 -2.810 -8.875 1.00 2.22 H new ATOM 0 HE3 LYS A 52 -0.165 -3.000 -9.294 1.00 2.22 H new ATOM 0 HZ1 LYS A 52 0.739 -0.848 -9.970 1.00 2.97 H new ATOM 0 HZ2 LYS A 52 -0.538 -0.668 -8.866 1.00 2.97 H new ATOM 0 HZ3 LYS A 52 1.066 -0.461 -8.349 1.00 2.97 H new ATOM 838 N GLU A 53 -0.478 -2.473 -3.552 1.00 0.67 N ATOM 839 CA GLU A 53 -1.007 -1.164 -3.151 1.00 0.82 C ATOM 840 C GLU A 53 -0.108 -0.415 -2.163 1.00 0.80 C ATOM 841 O GLU A 53 0.063 0.795 -2.274 1.00 1.00 O ATOM 842 CB GLU A 53 -2.413 -1.322 -2.568 1.00 1.09 C ATOM 843 CG GLU A 53 -2.929 -0.069 -1.884 1.00 1.69 C ATOM 844 CD GLU A 53 -4.424 0.107 -2.026 1.00 2.07 C ATOM 845 OE1 GLU A 53 -5.165 -0.804 -1.597 1.00 2.77 O ATOM 846 OE2 GLU A 53 -4.863 1.141 -2.567 1.00 2.33 O ATOM 0 H GLU A 53 -1.159 -3.230 -3.488 1.00 0.67 H new ATOM 0 HA GLU A 53 -1.041 -0.556 -4.055 1.00 0.82 H new ATOM 0 HB2 GLU A 53 -3.100 -1.599 -3.367 1.00 1.09 H new ATOM 0 HB3 GLU A 53 -2.410 -2.143 -1.851 1.00 1.09 H new ATOM 0 HG2 GLU A 53 -2.672 -0.107 -0.825 1.00 1.69 H new ATOM 0 HG3 GLU A 53 -2.425 0.801 -2.303 1.00 1.69 H new ATOM 853 N LEU A 54 0.512 -1.127 -1.238 1.00 0.69 N ATOM 854 CA LEU A 54 1.296 -0.466 -0.201 1.00 0.74 C ATOM 855 C LEU A 54 2.667 -0.095 -0.743 1.00 0.78 C ATOM 856 O LEU A 54 3.186 0.979 -0.460 1.00 1.15 O ATOM 857 CB LEU A 54 1.453 -1.360 1.036 1.00 0.78 C ATOM 858 CG LEU A 54 0.160 -1.733 1.768 1.00 0.83 C ATOM 859 CD1 LEU A 54 -0.691 -0.498 2.030 1.00 1.34 C ATOM 860 CD2 LEU A 54 -0.626 -2.780 0.990 1.00 1.82 C ATOM 0 H LEU A 54 0.491 -2.145 -1.180 1.00 0.69 H new ATOM 0 HA LEU A 54 0.764 0.437 0.097 1.00 0.74 H new ATOM 0 HB2 LEU A 54 1.953 -2.280 0.733 1.00 0.78 H new ATOM 0 HB3 LEU A 54 2.113 -0.856 1.742 1.00 0.78 H new ATOM 0 HG LEU A 54 0.432 -2.166 2.731 1.00 0.83 H new ATOM 0 HD11 LEU A 54 -1.603 -0.789 2.551 1.00 1.34 H new ATOM 0 HD12 LEU A 54 -0.131 0.206 2.645 1.00 1.34 H new ATOM 0 HD13 LEU A 54 -0.949 -0.026 1.082 1.00 1.34 H new ATOM 0 HD21 LEU A 54 -1.539 -3.027 1.532 1.00 1.82 H new ATOM 0 HD22 LEU A 54 -0.883 -2.386 0.007 1.00 1.82 H new ATOM 0 HD23 LEU A 54 -0.019 -3.678 0.874 1.00 1.82 H new ATOM 872 N LEU A 55 3.228 -0.983 -1.549 1.00 0.63 N ATOM 873 CA LEU A 55 4.497 -0.724 -2.210 1.00 0.65 C ATOM 874 C LEU A 55 4.303 0.339 -3.291 1.00 0.66 C ATOM 875 O LEU A 55 5.211 1.116 -3.591 1.00 0.76 O ATOM 876 CB LEU A 55 5.023 -2.036 -2.820 1.00 0.68 C ATOM 877 CG LEU A 55 6.538 -2.116 -3.071 1.00 0.99 C ATOM 878 CD1 LEU A 55 6.959 -3.564 -3.268 1.00 1.18 C ATOM 879 CD2 LEU A 55 6.942 -1.296 -4.287 1.00 1.87 C ATOM 0 H LEU A 55 2.822 -1.894 -1.762 1.00 0.63 H new ATOM 0 HA LEU A 55 5.227 -0.353 -1.490 1.00 0.65 H new ATOM 0 HB2 LEU A 55 4.743 -2.856 -2.159 1.00 0.68 H new ATOM 0 HB3 LEU A 55 4.511 -2.201 -3.768 1.00 0.68 H new ATOM 0 HG LEU A 55 7.043 -1.704 -2.197 1.00 0.99 H new ATOM 0 HD11 LEU A 55 8.034 -3.610 -3.445 1.00 1.18 H new ATOM 0 HD12 LEU A 55 6.714 -4.139 -2.375 1.00 1.18 H new ATOM 0 HD13 LEU A 55 6.432 -3.983 -4.125 1.00 1.18 H new ATOM 0 HD21 LEU A 55 8.019 -1.374 -4.437 1.00 1.87 H new ATOM 0 HD22 LEU A 55 6.425 -1.674 -5.169 1.00 1.87 H new ATOM 0 HD23 LEU A 55 6.672 -0.252 -4.128 1.00 1.87 H new ATOM 891 N ASP A 56 3.096 0.396 -3.833 1.00 0.64 N ATOM 892 CA ASP A 56 2.766 1.304 -4.922 1.00 0.69 C ATOM 893 C ASP A 56 2.561 2.724 -4.406 1.00 0.76 C ATOM 894 O ASP A 56 3.100 3.682 -4.957 1.00 0.90 O ATOM 895 CB ASP A 56 1.497 0.809 -5.618 1.00 0.79 C ATOM 896 CG ASP A 56 1.150 1.595 -6.861 1.00 1.12 C ATOM 897 OD1 ASP A 56 0.435 2.610 -6.735 1.00 1.59 O ATOM 898 OD2 ASP A 56 1.610 1.224 -7.958 1.00 1.33 O ATOM 0 H ASP A 56 2.316 -0.187 -3.530 1.00 0.64 H new ATOM 0 HA ASP A 56 3.594 1.322 -5.631 1.00 0.69 H new ATOM 0 HB2 ASP A 56 1.623 -0.241 -5.884 1.00 0.79 H new ATOM 0 HB3 ASP A 56 0.663 0.863 -4.918 1.00 0.79 H new ATOM 903 N MET A 57 1.802 2.853 -3.321 1.00 0.75 N ATOM 904 CA MET A 57 1.458 4.163 -2.771 1.00 0.87 C ATOM 905 C MET A 57 2.645 4.803 -2.055 1.00 0.95 C ATOM 906 O MET A 57 2.619 5.989 -1.731 1.00 1.44 O ATOM 907 CB MET A 57 0.270 4.046 -1.814 1.00 0.97 C ATOM 908 CG MET A 57 -1.045 3.713 -2.504 1.00 1.08 C ATOM 909 SD MET A 57 -1.600 5.019 -3.617 1.00 1.54 S ATOM 910 CE MET A 57 -1.857 6.357 -2.452 1.00 2.05 C ATOM 0 H MET A 57 1.412 2.065 -2.804 1.00 0.75 H new ATOM 0 HA MET A 57 1.183 4.807 -3.606 1.00 0.87 H new ATOM 0 HB2 MET A 57 0.486 3.276 -1.074 1.00 0.97 H new ATOM 0 HB3 MET A 57 0.158 4.985 -1.273 1.00 0.97 H new ATOM 0 HG2 MET A 57 -0.930 2.787 -3.067 1.00 1.08 H new ATOM 0 HG3 MET A 57 -1.811 3.535 -1.749 1.00 1.08 H new ATOM 0 HE1 MET A 57 -2.779 6.883 -2.699 1.00 2.05 H new ATOM 0 HE2 MET A 57 -1.930 5.952 -1.443 1.00 2.05 H new ATOM 0 HE3 MET A 57 -1.018 7.051 -2.504 1.00 2.05 H new ATOM 920 N LEU A 58 3.700 4.030 -1.838 1.00 0.84 N ATOM 921 CA LEU A 58 4.903 4.564 -1.213 1.00 0.89 C ATOM 922 C LEU A 58 5.699 5.371 -2.231 1.00 0.97 C ATOM 923 O LEU A 58 6.570 6.168 -1.873 1.00 1.36 O ATOM 924 CB LEU A 58 5.758 3.445 -0.618 1.00 0.97 C ATOM 925 CG LEU A 58 5.239 2.867 0.700 1.00 0.87 C ATOM 926 CD1 LEU A 58 6.196 1.807 1.215 1.00 1.63 C ATOM 927 CD2 LEU A 58 5.059 3.968 1.732 1.00 1.59 C ATOM 0 H LEU A 58 3.748 3.041 -2.082 1.00 0.84 H new ATOM 0 HA LEU A 58 4.607 5.221 -0.395 1.00 0.89 H new ATOM 0 HB2 LEU A 58 5.832 2.638 -1.347 1.00 0.97 H new ATOM 0 HB3 LEU A 58 6.767 3.825 -0.459 1.00 0.97 H new ATOM 0 HG LEU A 58 4.268 2.406 0.521 1.00 0.87 H new ATOM 0 HD11 LEU A 58 5.819 1.401 2.154 1.00 1.63 H new ATOM 0 HD12 LEU A 58 6.281 1.006 0.481 1.00 1.63 H new ATOM 0 HD13 LEU A 58 7.177 2.252 1.381 1.00 1.63 H new ATOM 0 HD21 LEU A 58 4.689 3.537 2.663 1.00 1.59 H new ATOM 0 HD22 LEU A 58 6.016 4.457 1.913 1.00 1.59 H new ATOM 0 HD23 LEU A 58 4.342 4.701 1.361 1.00 1.59 H new ATOM 939 N ALA A 59 5.370 5.163 -3.504 1.00 0.84 N ATOM 940 CA ALA A 59 5.977 5.918 -4.593 1.00 0.93 C ATOM 941 C ALA A 59 5.655 7.402 -4.474 1.00 0.99 C ATOM 942 O ALA A 59 6.391 8.244 -4.975 1.00 1.11 O ATOM 943 CB ALA A 59 5.511 5.387 -5.939 1.00 1.07 C ATOM 0 H ALA A 59 4.682 4.473 -3.806 1.00 0.84 H new ATOM 0 HA ALA A 59 7.058 5.794 -4.523 1.00 0.93 H new ATOM 0 HB1 ALA A 59 5.976 5.964 -6.738 1.00 1.07 H new ATOM 0 HB2 ALA A 59 5.796 4.339 -6.035 1.00 1.07 H new ATOM 0 HB3 ALA A 59 4.427 5.476 -6.010 1.00 1.07 H new ATOM 949 N ARG A 60 4.564 7.716 -3.781 1.00 1.13 N ATOM 950 CA ARG A 60 4.172 9.102 -3.552 1.00 1.40 C ATOM 951 C ARG A 60 5.098 9.756 -2.523 1.00 1.53 C ATOM 952 O ARG A 60 5.239 10.976 -2.483 1.00 1.94 O ATOM 953 CB ARG A 60 2.722 9.167 -3.062 1.00 1.59 C ATOM 954 CG ARG A 60 1.724 8.486 -3.988 1.00 1.74 C ATOM 955 CD ARG A 60 1.623 9.194 -5.329 1.00 1.93 C ATOM 956 NE ARG A 60 1.060 10.539 -5.198 1.00 2.28 N ATOM 957 CZ ARG A 60 0.588 11.254 -6.222 1.00 2.83 C ATOM 958 NH1 ARG A 60 0.601 10.756 -7.452 1.00 3.12 N ATOM 959 NH2 ARG A 60 0.093 12.465 -6.017 1.00 3.60 N ATOM 0 H ARG A 60 3.935 7.027 -3.368 1.00 1.13 H new ATOM 0 HA ARG A 60 4.254 9.644 -4.494 1.00 1.40 H new ATOM 0 HB2 ARG A 60 2.661 8.705 -2.077 1.00 1.59 H new ATOM 0 HB3 ARG A 60 2.436 10.212 -2.942 1.00 1.59 H new ATOM 0 HG2 ARG A 60 2.023 7.450 -4.146 1.00 1.74 H new ATOM 0 HG3 ARG A 60 0.743 8.466 -3.513 1.00 1.74 H new ATOM 0 HD2 ARG A 60 2.613 9.258 -5.781 1.00 1.93 H new ATOM 0 HD3 ARG A 60 1.002 8.605 -6.004 1.00 1.93 H new ATOM 0 HE ARG A 60 1.026 10.955 -4.267 1.00 2.28 H new ATOM 0 HH11 ARG A 60 0.973 9.821 -7.620 1.00 3.12 H new ATOM 0 HH12 ARG A 60 0.239 11.308 -8.230 1.00 3.12 H new ATOM 0 HH21 ARG A 60 0.071 12.854 -5.074 1.00 3.60 H new ATOM 0 HH22 ARG A 60 -0.267 13.008 -6.802 1.00 3.60 H new ATOM 973 N ALA A 61 5.745 8.927 -1.716 1.00 1.52 N ATOM 974 CA ALA A 61 6.618 9.413 -0.656 1.00 1.79 C ATOM 975 C ALA A 61 8.065 9.462 -1.130 1.00 1.71 C ATOM 976 O ALA A 61 8.812 10.380 -0.798 1.00 2.10 O ATOM 977 CB ALA A 61 6.491 8.534 0.579 1.00 1.95 C ATOM 0 H ALA A 61 5.682 7.911 -1.775 1.00 1.52 H new ATOM 0 HA ALA A 61 6.311 10.426 -0.395 1.00 1.79 H new ATOM 0 HB1 ALA A 61 7.149 8.910 1.362 1.00 1.95 H new ATOM 0 HB2 ALA A 61 5.460 8.550 0.933 1.00 1.95 H new ATOM 0 HB3 ALA A 61 6.772 7.511 0.328 1.00 1.95 H new ATOM 983 N GLU A 62 8.454 8.466 -1.917 1.00 1.51 N ATOM 984 CA GLU A 62 9.812 8.397 -2.444 1.00 1.64 C ATOM 985 C GLU A 62 9.989 9.333 -3.637 1.00 1.93 C ATOM 986 O GLU A 62 11.107 9.571 -4.091 1.00 2.42 O ATOM 987 CB GLU A 62 10.158 6.957 -2.827 1.00 1.89 C ATOM 988 CG GLU A 62 9.199 6.328 -3.821 1.00 2.14 C ATOM 989 CD GLU A 62 9.433 4.844 -3.980 1.00 2.57 C ATOM 990 OE1 GLU A 62 9.185 4.097 -3.010 1.00 2.91 O ATOM 991 OE2 GLU A 62 9.883 4.415 -5.060 1.00 2.98 O ATOM 0 H GLU A 62 7.850 7.696 -2.204 1.00 1.51 H new ATOM 0 HA GLU A 62 10.498 8.724 -1.663 1.00 1.64 H new ATOM 0 HB2 GLU A 62 11.164 6.937 -3.247 1.00 1.89 H new ATOM 0 HB3 GLU A 62 10.178 6.348 -1.923 1.00 1.89 H new ATOM 0 HG2 GLU A 62 8.174 6.499 -3.492 1.00 2.14 H new ATOM 0 HG3 GLU A 62 9.309 6.817 -4.789 1.00 2.14 H new ATOM 998 N ARG A 63 8.878 9.860 -4.135 1.00 2.16 N ATOM 999 CA ARG A 63 8.904 10.790 -5.256 1.00 2.69 C ATOM 1000 C ARG A 63 9.340 12.174 -4.782 1.00 2.85 C ATOM 1001 O ARG A 63 10.341 12.718 -5.244 1.00 3.26 O ATOM 1002 CB ARG A 63 7.513 10.884 -5.892 1.00 3.11 C ATOM 1003 CG ARG A 63 7.528 11.105 -7.398 1.00 3.13 C ATOM 1004 CD ARG A 63 7.769 9.803 -8.152 1.00 3.11 C ATOM 1005 NE ARG A 63 9.115 9.269 -7.935 1.00 2.92 N ATOM 1006 CZ ARG A 63 9.414 7.972 -7.908 1.00 3.14 C ATOM 1007 NH1 ARG A 63 8.462 7.057 -8.050 1.00 3.60 N ATOM 1008 NH2 ARG A 63 10.672 7.590 -7.743 1.00 3.44 N ATOM 0 H ARG A 63 7.944 9.658 -3.778 1.00 2.16 H new ATOM 0 HA ARG A 63 9.616 10.423 -5.996 1.00 2.69 H new ATOM 0 HB2 ARG A 63 6.965 9.967 -5.676 1.00 3.11 H new ATOM 0 HB3 ARG A 63 6.965 11.701 -5.422 1.00 3.11 H new ATOM 0 HG2 ARG A 63 6.579 11.538 -7.713 1.00 3.13 H new ATOM 0 HG3 ARG A 63 8.307 11.824 -7.653 1.00 3.13 H new ATOM 0 HD2 ARG A 63 7.033 9.063 -7.837 1.00 3.11 H new ATOM 0 HD3 ARG A 63 7.616 9.971 -9.218 1.00 3.11 H new ATOM 0 HE ARG A 63 9.874 9.935 -7.795 1.00 2.92 H new ATOM 0 HH11 ARG A 63 7.493 7.346 -8.181 1.00 3.60 H new ATOM 0 HH12 ARG A 63 8.700 6.065 -8.028 1.00 3.60 H new ATOM 0 HH21 ARG A 63 11.407 8.289 -7.637 1.00 3.44 H new ATOM 0 HH22 ARG A 63 10.905 6.597 -7.722 1.00 3.44 H new ATOM 1022 N GLU A 64 8.576 12.727 -3.849 1.00 2.76 N ATOM 1023 CA GLU A 64 8.807 14.078 -3.351 1.00 3.00 C ATOM 1024 C GLU A 64 9.951 14.133 -2.332 1.00 3.08 C ATOM 1025 O GLU A 64 10.475 15.209 -2.035 1.00 3.72 O ATOM 1026 CB GLU A 64 7.519 14.610 -2.716 1.00 2.97 C ATOM 1027 CG GLU A 64 7.625 16.043 -2.215 1.00 3.43 C ATOM 1028 CD GLU A 64 6.369 16.515 -1.523 1.00 3.74 C ATOM 1029 OE1 GLU A 64 5.446 16.995 -2.216 1.00 4.07 O ATOM 1030 OE2 GLU A 64 6.297 16.413 -0.282 1.00 4.00 O ATOM 0 H GLU A 64 7.782 12.255 -3.417 1.00 2.76 H new ATOM 0 HA GLU A 64 9.097 14.701 -4.197 1.00 3.00 H new ATOM 0 HB2 GLU A 64 6.713 14.550 -3.447 1.00 2.97 H new ATOM 0 HB3 GLU A 64 7.242 13.964 -1.883 1.00 2.97 H new ATOM 0 HG2 GLU A 64 8.465 16.121 -1.525 1.00 3.43 H new ATOM 0 HG3 GLU A 64 7.841 16.702 -3.056 1.00 3.43 H new ATOM 1037 N LYS A 65 10.382 12.978 -1.844 1.00 2.73 N ATOM 1038 CA LYS A 65 11.237 12.958 -0.656 1.00 2.95 C ATOM 1039 C LYS A 65 12.244 11.812 -0.640 1.00 2.86 C ATOM 1040 O LYS A 65 13.398 12.012 -1.016 1.00 3.37 O ATOM 1041 CB LYS A 65 10.381 12.954 0.621 1.00 3.11 C ATOM 1042 CG LYS A 65 9.691 14.287 0.875 1.00 3.54 C ATOM 1043 CD LYS A 65 8.777 14.259 2.088 1.00 3.77 C ATOM 1044 CE LYS A 65 8.184 15.636 2.336 1.00 3.79 C ATOM 1045 NZ LYS A 65 7.206 15.644 3.452 1.00 4.11 N ATOM 0 H LYS A 65 10.163 12.062 -2.237 1.00 2.73 H new ATOM 0 HA LYS A 65 11.831 13.872 -0.692 1.00 2.95 H new ATOM 0 HB2 LYS A 65 9.628 12.169 0.545 1.00 3.11 H new ATOM 0 HB3 LYS A 65 11.012 12.709 1.475 1.00 3.11 H new ATOM 0 HG2 LYS A 65 10.446 15.061 1.014 1.00 3.54 H new ATOM 0 HG3 LYS A 65 9.110 14.563 -0.005 1.00 3.54 H new ATOM 0 HD2 LYS A 65 7.978 13.534 1.932 1.00 3.77 H new ATOM 0 HD3 LYS A 65 9.336 13.933 2.965 1.00 3.77 H new ATOM 0 HE2 LYS A 65 8.987 16.339 2.557 1.00 3.79 H new ATOM 0 HE3 LYS A 65 7.695 15.986 1.427 1.00 3.79 H new ATOM 0 HZ1 LYS A 65 6.832 16.606 3.579 1.00 4.11 H new ATOM 0 HZ2 LYS A 65 6.424 14.995 3.233 1.00 4.11 H new ATOM 0 HZ3 LYS A 65 7.676 15.337 4.328 1.00 4.11 H new ATOM 1059 N LYS A 66 11.828 10.629 -0.206 1.00 2.75 N ATOM 1060 CA LYS A 66 12.773 9.539 0.034 1.00 2.95 C ATOM 1061 C LYS A 66 13.309 8.941 -1.267 1.00 3.53 C ATOM 1062 O LYS A 66 14.299 9.475 -1.809 1.00 3.96 O ATOM 1063 CB LYS A 66 12.131 8.434 0.878 1.00 2.95 C ATOM 1064 CG LYS A 66 13.130 7.368 1.294 1.00 3.03 C ATOM 1065 CD LYS A 66 12.524 5.979 1.272 1.00 3.31 C ATOM 1066 CE LYS A 66 13.402 5.022 0.483 1.00 3.21 C ATOM 1067 NZ LYS A 66 13.452 5.370 -0.966 1.00 3.29 N ATOM 1068 OXT LYS A 66 12.766 7.920 -1.727 1.00 4.01 O ATOM 0 H LYS A 66 10.853 10.398 -0.014 1.00 2.75 H new ATOM 0 HA LYS A 66 13.613 9.970 0.579 1.00 2.95 H new ATOM 0 HB2 LYS A 66 11.683 8.875 1.768 1.00 2.95 H new ATOM 0 HB3 LYS A 66 11.324 7.970 0.311 1.00 2.95 H new ATOM 0 HG2 LYS A 66 13.991 7.398 0.626 1.00 3.03 H new ATOM 0 HG3 LYS A 66 13.497 7.587 2.297 1.00 3.03 H new ATOM 0 HD2 LYS A 66 12.404 5.613 2.292 1.00 3.31 H new ATOM 0 HD3 LYS A 66 11.529 6.018 0.828 1.00 3.31 H new ATOM 0 HE2 LYS A 66 14.412 5.035 0.893 1.00 3.21 H new ATOM 0 HE3 LYS A 66 13.025 4.006 0.598 1.00 3.21 H new ATOM 0 HZ1 LYS A 66 12.998 4.616 -1.520 1.00 3.29 H new ATOM 0 HZ2 LYS A 66 12.950 6.267 -1.125 1.00 3.29 H new ATOM 0 HZ3 LYS A 66 14.443 5.470 -1.265 1.00 3.29 H new