USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 525 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 TYR OH : rot 23:sc= -0.264 USER MOD Set 1.2: A 61 THR OG1 : rot 118:sc= 0.143 USER MOD Single : A 9 GLN : amide:sc= -2.44! C(o=-2.4!,f=-4.6!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.012 K(o=-0.012,f=-1.1) USER MOD Single : A 26 SER OG : rot -90:sc= -1.81 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0365 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.344 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A 41 GLN : amide:sc=-0.00612 K(o=-0.0061,f=-1.3) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 87:sc= -1.02 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 140:sc= -0.201 (180deg=-0.753) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS :FLIP no HE2:sc= -1.19 F(o=-1.9,f=-1.2) USER MOD Single : A 70 HIS : no HE2:sc= -6.63! C(o=-6.6!,f=-6.7!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.015 USER MOD Single : A 75 LYS NZ :NH3+ 154:sc= 0.00963 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.078 -19.831 -1.052 1.00 0.00 N ATOM 67 CA ASP A 8 1.250 -19.425 0.332 1.00 0.00 C ATOM 68 C ASP A 8 1.119 -17.904 0.433 1.00 0.00 C ATOM 69 O ASP A 8 0.216 -17.398 1.096 1.00 0.00 O ATOM 70 CB ASP A 8 2.634 -19.817 0.853 1.00 0.00 C ATOM 71 CG ASP A 8 2.637 -20.535 2.204 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.295 -21.737 2.209 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.982 -19.865 3.202 1.00 0.00 O ATOM 0 HA ASP A 8 0.486 -19.925 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.114 -20.460 0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.243 -18.917 0.936 1.00 0.00 H new ATOM 78 N GLN A 9 2.036 -17.218 -0.234 1.00 0.00 N ATOM 79 CA GLN A 9 2.035 -15.765 -0.228 1.00 0.00 C ATOM 80 C GLN A 9 0.816 -15.232 -0.984 1.00 0.00 C ATOM 81 O GLN A 9 0.396 -14.096 -0.770 1.00 0.00 O ATOM 82 CB GLN A 9 3.333 -15.213 -0.821 1.00 0.00 C ATOM 83 CG GLN A 9 3.534 -15.708 -2.254 1.00 0.00 C ATOM 84 CD GLN A 9 4.674 -14.951 -2.940 1.00 0.00 C ATOM 85 OE1 GLN A 9 4.529 -13.821 -3.375 1.00 0.00 O ATOM 86 NE2 GLN A 9 5.812 -15.636 -3.012 1.00 0.00 N ATOM 0 H GLN A 9 2.785 -17.642 -0.782 1.00 0.00 H new ATOM 0 HA GLN A 9 1.974 -15.425 0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.308 -14.123 -0.809 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.178 -15.520 -0.205 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.754 -16.776 -2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.612 -15.577 -2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.865 -16.579 -2.627 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.632 -15.218 -3.452 1.00 0.00 H new ATOM 95 N LYS A 10 0.283 -16.078 -1.854 1.00 0.00 N ATOM 96 CA LYS A 10 -0.879 -15.706 -2.643 1.00 0.00 C ATOM 97 C LYS A 10 -2.023 -15.313 -1.706 1.00 0.00 C ATOM 98 O LYS A 10 -2.700 -14.312 -1.933 1.00 0.00 O ATOM 99 CB LYS A 10 -1.243 -16.825 -3.621 1.00 0.00 C ATOM 100 CG LYS A 10 -1.653 -16.253 -4.980 1.00 0.00 C ATOM 101 CD LYS A 10 -3.175 -16.249 -5.136 1.00 0.00 C ATOM 102 CE LYS A 10 -3.578 -16.452 -6.598 1.00 0.00 C ATOM 103 NZ LYS A 10 -4.308 -17.729 -6.762 1.00 0.00 N ATOM 0 H LYS A 10 0.634 -17.019 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.657 -14.834 -3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.392 -17.495 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.059 -17.420 -3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.271 -15.237 -5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.204 -16.844 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.609 -17.039 -4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.579 -15.304 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.205 -15.623 -6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.690 -16.450 -7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.574 -17.851 -7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.698 -18.518 -6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.166 -17.717 -6.174 1.00 0.00 H new ATOM 117 N LYS A 11 -2.202 -16.122 -0.672 1.00 0.00 N ATOM 118 CA LYS A 11 -3.252 -15.872 0.301 1.00 0.00 C ATOM 119 C LYS A 11 -2.920 -14.602 1.088 1.00 0.00 C ATOM 120 O LYS A 11 -3.792 -13.766 1.322 1.00 0.00 O ATOM 121 CB LYS A 11 -3.470 -17.102 1.183 1.00 0.00 C ATOM 122 CG LYS A 11 -3.999 -18.279 0.361 1.00 0.00 C ATOM 123 CD LYS A 11 -5.421 -18.651 0.788 1.00 0.00 C ATOM 124 CE LYS A 11 -5.404 -19.720 1.882 1.00 0.00 C ATOM 125 NZ LYS A 11 -6.765 -19.928 2.424 1.00 0.00 N ATOM 0 H LYS A 11 -1.638 -16.951 -0.487 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.203 -15.697 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.532 -17.381 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.176 -16.863 1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.989 -18.021 -0.698 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.341 -19.139 0.486 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.939 -17.763 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.979 -19.017 -0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.020 -20.657 1.478 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.729 -19.418 2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.736 -20.657 3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.118 -19.037 2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.399 -20.237 1.660 1.00 0.00 H new ATOM 139 N PHE A 12 -1.657 -14.497 1.474 1.00 0.00 N ATOM 140 CA PHE A 12 -1.199 -13.343 2.230 1.00 0.00 C ATOM 141 C PHE A 12 -1.350 -12.058 1.413 1.00 0.00 C ATOM 142 O PHE A 12 -1.996 -11.109 1.856 1.00 0.00 O ATOM 143 CB PHE A 12 0.283 -13.568 2.535 1.00 0.00 C ATOM 144 CG PHE A 12 1.007 -12.325 3.054 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.457 -11.385 2.179 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.202 -12.158 4.389 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.129 -10.231 2.660 1.00 0.00 C ATOM 148 CE2 PHE A 12 1.874 -11.004 4.871 1.00 0.00 C ATOM 149 CZ PHE A 12 2.323 -10.064 3.996 1.00 0.00 C ATOM 0 H PHE A 12 -0.936 -15.192 1.278 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.790 -13.235 3.140 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.375 -14.364 3.274 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.781 -13.915 1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.303 -11.517 1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.845 -12.904 5.084 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.486 -9.485 1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.029 -10.872 5.932 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.833 -9.185 4.362 1.00 0.00 H new ATOM 159 N ILE A 13 -0.743 -12.069 0.235 1.00 0.00 N ATOM 160 CA ILE A 13 -0.802 -10.916 -0.647 1.00 0.00 C ATOM 161 C ILE A 13 -2.265 -10.545 -0.898 1.00 0.00 C ATOM 162 O ILE A 13 -2.643 -9.380 -0.778 1.00 0.00 O ATOM 163 CB ILE A 13 -0.006 -11.179 -1.927 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.387 -9.867 -2.608 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.776 -12.107 -2.870 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.612 -9.245 -1.934 1.00 0.00 C ATOM 0 H ILE A 13 -0.208 -12.858 -0.129 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.330 -10.053 -0.177 1.00 0.00 H new ATOM 0 HB ILE A 13 0.918 -11.690 -1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.600 -10.049 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.448 -9.168 -2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.189 -12.278 -3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.962 -13.059 -2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.727 -11.646 -3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.870 -8.313 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.387 -9.041 -0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.452 -9.937 -1.997 1.00 0.00 H new ATOM 178 N ASP A 14 -3.048 -11.557 -1.241 1.00 0.00 N ATOM 179 CA ASP A 14 -4.461 -11.352 -1.510 1.00 0.00 C ATOM 180 C ASP A 14 -5.094 -10.595 -0.340 1.00 0.00 C ATOM 181 O ASP A 14 -5.706 -9.546 -0.533 1.00 0.00 O ATOM 182 CB ASP A 14 -5.193 -12.687 -1.661 1.00 0.00 C ATOM 183 CG ASP A 14 -6.719 -12.590 -1.679 1.00 0.00 C ATOM 184 OD1 ASP A 14 -7.271 -12.135 -0.653 1.00 0.00 O ATOM 185 OD2 ASP A 14 -7.300 -12.972 -2.718 1.00 0.00 O ATOM 0 H ASP A 14 -2.731 -12.521 -1.339 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.549 -10.786 -2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.863 -13.162 -2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.895 -13.342 -0.842 1.00 0.00 H new ATOM 190 N GLN A 15 -4.925 -11.158 0.847 1.00 0.00 N ATOM 191 CA GLN A 15 -5.471 -10.550 2.048 1.00 0.00 C ATOM 192 C GLN A 15 -5.156 -9.053 2.076 1.00 0.00 C ATOM 193 O GLN A 15 -5.989 -8.247 2.487 1.00 0.00 O ATOM 194 CB GLN A 15 -4.943 -11.245 3.304 1.00 0.00 C ATOM 195 CG GLN A 15 -5.568 -12.632 3.467 1.00 0.00 C ATOM 196 CD GLN A 15 -6.231 -12.778 4.838 1.00 0.00 C ATOM 197 OE1 GLN A 15 -7.424 -12.585 5.003 1.00 0.00 O ATOM 198 NE2 GLN A 15 -5.393 -13.127 5.810 1.00 0.00 N ATOM 0 H GLN A 15 -4.418 -12.029 1.003 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.554 -10.673 2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.858 -11.336 3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.165 -10.637 4.181 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.307 -12.796 2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.801 -13.397 3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.405 -13.273 5.603 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.738 -13.249 6.762 1.00 0.00 H new ATOM 207 N VAL A 16 -3.950 -8.727 1.633 1.00 0.00 N ATOM 208 CA VAL A 16 -3.514 -7.341 1.603 1.00 0.00 C ATOM 209 C VAL A 16 -4.310 -6.584 0.537 1.00 0.00 C ATOM 210 O VAL A 16 -4.810 -5.489 0.792 1.00 0.00 O ATOM 211 CB VAL A 16 -2.002 -7.273 1.380 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.528 -5.822 1.273 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.251 -8.015 2.488 1.00 0.00 C ATOM 0 H VAL A 16 -3.262 -9.398 1.292 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.710 -6.858 2.560 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.780 -7.768 0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.450 -5.802 1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.027 -5.337 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.769 -5.292 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.178 -7.952 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.483 -7.561 3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.556 -9.061 2.497 1.00 0.00 H new ATOM 223 N ILE A 17 -4.403 -7.197 -0.633 1.00 0.00 N ATOM 224 CA ILE A 17 -5.129 -6.595 -1.739 1.00 0.00 C ATOM 225 C ILE A 17 -6.438 -5.999 -1.218 1.00 0.00 C ATOM 226 O ILE A 17 -6.729 -4.828 -1.457 1.00 0.00 O ATOM 227 CB ILE A 17 -5.321 -7.608 -2.869 1.00 0.00 C ATOM 228 CG1 ILE A 17 -3.975 -8.151 -3.354 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.142 -7.007 -4.011 1.00 0.00 C ATOM 230 CD1 ILE A 17 -2.924 -7.041 -3.409 1.00 0.00 C ATOM 0 H ILE A 17 -3.988 -8.105 -0.840 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.554 -5.776 -2.172 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.886 -8.453 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.637 -8.944 -2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.093 -8.595 -4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.263 -7.748 -4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.122 -6.711 -3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.626 -6.133 -4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.977 -7.454 -3.757 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.254 -6.261 -4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.791 -6.616 -2.414 1.00 0.00 H new ATOM 242 N GLU A 18 -7.193 -6.831 -0.516 1.00 0.00 N ATOM 243 CA GLU A 18 -8.464 -6.401 0.040 1.00 0.00 C ATOM 244 C GLU A 18 -8.300 -5.063 0.765 1.00 0.00 C ATOM 245 O GLU A 18 -9.018 -4.106 0.479 1.00 0.00 O ATOM 246 CB GLU A 18 -9.041 -7.464 0.976 1.00 0.00 C ATOM 247 CG GLU A 18 -9.509 -8.691 0.190 1.00 0.00 C ATOM 248 CD GLU A 18 -10.766 -8.374 -0.623 1.00 0.00 C ATOM 249 OE1 GLU A 18 -11.826 -8.200 0.016 1.00 0.00 O ATOM 250 OE2 GLU A 18 -10.639 -8.314 -1.865 1.00 0.00 O ATOM 0 H GLU A 18 -6.948 -7.802 -0.320 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.169 -6.265 -0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.286 -7.760 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.877 -7.045 1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.714 -9.025 -0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.714 -9.512 0.878 1.00 0.00 H new ATOM 257 N LYS A 19 -7.352 -5.040 1.690 1.00 0.00 N ATOM 258 CA LYS A 19 -7.085 -3.836 2.459 1.00 0.00 C ATOM 259 C LYS A 19 -6.943 -2.648 1.504 1.00 0.00 C ATOM 260 O LYS A 19 -7.495 -1.578 1.753 1.00 0.00 O ATOM 261 CB LYS A 19 -5.874 -4.040 3.371 1.00 0.00 C ATOM 262 CG LYS A 19 -6.134 -5.156 4.385 1.00 0.00 C ATOM 263 CD LYS A 19 -4.825 -5.827 4.809 1.00 0.00 C ATOM 264 CE LYS A 19 -4.741 -5.951 6.331 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.315 -7.315 6.717 1.00 0.00 N ATOM 0 H LYS A 19 -6.759 -5.836 1.925 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.921 -3.614 3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.999 -4.286 2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.649 -3.112 3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.637 -4.747 5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.803 -5.898 3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.755 -6.816 4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.979 -5.247 4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.035 -5.219 6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.711 -5.728 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.263 -7.382 7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.003 -8.008 6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.379 -7.515 6.310 1.00 0.00 H new ATOM 279 N ILE A 20 -6.200 -2.878 0.432 1.00 0.00 N ATOM 280 CA ILE A 20 -5.978 -1.841 -0.561 1.00 0.00 C ATOM 281 C ILE A 20 -7.308 -1.486 -1.228 1.00 0.00 C ATOM 282 O ILE A 20 -7.762 -0.346 -1.149 1.00 0.00 O ATOM 283 CB ILE A 20 -4.889 -2.267 -1.548 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.524 -2.338 -0.861 1.00 0.00 C ATOM 285 CG2 ILE A 20 -4.868 -1.349 -2.772 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.598 -3.319 -1.582 1.00 0.00 C ATOM 0 H ILE A 20 -5.744 -3.767 0.229 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.607 -0.933 -0.086 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.123 -3.271 -1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.069 -1.348 -0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.651 -2.647 0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.085 -1.674 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.833 -1.393 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.671 -0.325 -2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.634 -3.351 -1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.045 -4.313 -1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.454 -2.993 -2.612 1.00 0.00 H new ATOM 298 N GLU A 21 -7.896 -2.485 -1.871 1.00 0.00 N ATOM 299 CA GLU A 21 -9.165 -2.293 -2.551 1.00 0.00 C ATOM 300 C GLU A 21 -10.072 -1.372 -1.733 1.00 0.00 C ATOM 301 O GLU A 21 -10.517 -0.336 -2.225 1.00 0.00 O ATOM 302 CB GLU A 21 -9.849 -3.635 -2.824 1.00 0.00 C ATOM 303 CG GLU A 21 -9.095 -4.427 -3.894 1.00 0.00 C ATOM 304 CD GLU A 21 -10.047 -5.332 -4.679 1.00 0.00 C ATOM 305 OE1 GLU A 21 -10.556 -6.292 -4.061 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.244 -5.043 -5.879 1.00 0.00 O ATOM 0 H GLU A 21 -7.516 -3.430 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.971 -1.818 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.898 -4.216 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.876 -3.465 -3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.596 -3.739 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.318 -5.030 -3.425 1.00 0.00 H new ATOM 313 N ASP A 22 -10.320 -1.783 -0.498 1.00 0.00 N ATOM 314 CA ASP A 22 -11.166 -1.007 0.393 1.00 0.00 C ATOM 315 C ASP A 22 -10.662 0.437 0.439 1.00 0.00 C ATOM 316 O ASP A 22 -11.430 1.373 0.223 1.00 0.00 O ATOM 317 CB ASP A 22 -11.126 -1.567 1.816 1.00 0.00 C ATOM 318 CG ASP A 22 -12.329 -1.201 2.689 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.447 -1.619 2.319 1.00 0.00 O ATOM 320 OD2 ASP A 22 -12.102 -0.510 3.706 1.00 0.00 O ATOM 0 H ASP A 22 -9.950 -2.643 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.187 -1.055 0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.053 -2.653 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.219 -1.211 2.305 1.00 0.00 H new ATOM 325 N PHE A 23 -9.375 0.572 0.721 1.00 0.00 N ATOM 326 CA PHE A 23 -8.760 1.886 0.798 1.00 0.00 C ATOM 327 C PHE A 23 -8.919 2.644 -0.521 1.00 0.00 C ATOM 328 O PHE A 23 -8.920 3.874 -0.538 1.00 0.00 O ATOM 329 CB PHE A 23 -7.270 1.668 1.071 1.00 0.00 C ATOM 330 CG PHE A 23 -6.375 2.810 0.586 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.599 4.080 1.017 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.354 2.555 -0.276 1.00 0.00 C ATOM 333 CE1 PHE A 23 -5.768 5.140 0.567 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.523 3.615 -0.726 1.00 0.00 C ATOM 335 CZ PHE A 23 -4.748 4.885 -0.295 1.00 0.00 C ATOM 0 H PHE A 23 -8.741 -0.207 0.899 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.236 2.474 1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.123 1.535 2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.954 0.743 0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.409 4.283 1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.175 1.546 -0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.946 6.149 0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.712 3.413 -1.410 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.116 5.691 -0.638 1.00 0.00 H new ATOM 345 N LEU A 24 -9.049 1.879 -1.595 1.00 0.00 N ATOM 346 CA LEU A 24 -9.208 2.463 -2.916 1.00 0.00 C ATOM 347 C LEU A 24 -10.687 2.776 -3.155 1.00 0.00 C ATOM 348 O LEU A 24 -11.027 3.509 -4.082 1.00 0.00 O ATOM 349 CB LEU A 24 -8.592 1.554 -3.981 1.00 0.00 C ATOM 350 CG LEU A 24 -7.105 1.235 -3.813 1.00 0.00 C ATOM 351 CD1 LEU A 24 -6.690 0.066 -4.708 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.247 2.478 -4.059 1.00 0.00 C ATOM 0 H LEU A 24 -9.047 0.859 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.667 3.407 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.145 0.615 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.735 2.021 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.936 0.926 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.629 -0.140 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.269 -0.819 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.876 0.322 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.194 2.224 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.414 2.841 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.520 3.256 -3.346 1.00 0.00 H new ATOM 364 N GLN A 25 -11.525 2.206 -2.302 1.00 0.00 N ATOM 365 CA GLN A 25 -12.959 2.416 -2.409 1.00 0.00 C ATOM 366 C GLN A 25 -13.399 3.553 -1.485 1.00 0.00 C ATOM 367 O GLN A 25 -14.502 4.080 -1.626 1.00 0.00 O ATOM 368 CB GLN A 25 -13.726 1.129 -2.099 1.00 0.00 C ATOM 369 CG GLN A 25 -13.521 0.089 -3.203 1.00 0.00 C ATOM 370 CD GLN A 25 -14.626 0.185 -4.258 1.00 0.00 C ATOM 371 OE1 GLN A 25 -14.839 1.214 -4.878 1.00 0.00 O ATOM 372 NE2 GLN A 25 -15.312 -0.941 -4.426 1.00 0.00 N ATOM 0 H GLN A 25 -11.239 1.599 -1.534 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.190 2.699 -3.436 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.391 0.723 -1.145 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.788 1.350 -1.996 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.550 0.240 -3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.513 -0.911 -2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.081 -1.766 -3.873 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.070 -0.980 -5.108 1.00 0.00 H new ATOM 381 N SER A 26 -12.516 3.897 -0.560 1.00 0.00 N ATOM 382 CA SER A 26 -12.800 4.962 0.387 1.00 0.00 C ATOM 383 C SER A 26 -12.459 6.318 -0.233 1.00 0.00 C ATOM 384 O SER A 26 -11.303 6.581 -0.562 1.00 0.00 O ATOM 385 CB SER A 26 -12.021 4.763 1.690 1.00 0.00 C ATOM 386 OG SER A 26 -11.032 3.744 1.570 1.00 0.00 O ATOM 0 H SER A 26 -11.603 3.457 -0.446 1.00 0.00 H new ATOM 0 HA SER A 26 -13.864 4.935 0.623 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.543 5.701 1.973 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.714 4.504 2.491 1.00 0.00 H new ATOM 0 HG SER A 26 -11.422 2.879 1.817 1.00 0.00 H new ATOM 392 N GLU A 27 -13.485 7.144 -0.373 1.00 0.00 N ATOM 393 CA GLU A 27 -13.309 8.467 -0.948 1.00 0.00 C ATOM 394 C GLU A 27 -12.522 9.361 0.012 1.00 0.00 C ATOM 395 O GLU A 27 -11.716 10.184 -0.421 1.00 0.00 O ATOM 396 CB GLU A 27 -14.658 9.095 -1.302 1.00 0.00 C ATOM 397 CG GLU A 27 -14.567 9.891 -2.605 1.00 0.00 C ATOM 398 CD GLU A 27 -15.961 10.231 -3.138 1.00 0.00 C ATOM 399 OE1 GLU A 27 -16.802 9.306 -3.158 1.00 0.00 O ATOM 400 OE2 GLU A 27 -16.153 11.407 -3.513 1.00 0.00 O ATOM 0 H GLU A 27 -14.442 6.923 -0.098 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.739 8.368 -1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.412 8.314 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.982 9.750 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.004 10.809 -2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.019 9.314 -3.350 1.00 0.00 H new ATOM 407 N GLU A 28 -12.782 9.170 1.296 1.00 0.00 N ATOM 408 CA GLU A 28 -12.108 9.950 2.321 1.00 0.00 C ATOM 409 C GLU A 28 -10.647 9.512 2.445 1.00 0.00 C ATOM 410 O GLU A 28 -9.738 10.334 2.337 1.00 0.00 O ATOM 411 CB GLU A 28 -12.832 9.833 3.664 1.00 0.00 C ATOM 412 CG GLU A 28 -12.666 11.111 4.489 1.00 0.00 C ATOM 413 CD GLU A 28 -13.976 11.900 4.547 1.00 0.00 C ATOM 414 OE1 GLU A 28 -14.405 12.366 3.470 1.00 0.00 O ATOM 415 OE2 GLU A 28 -14.517 12.019 5.667 1.00 0.00 O ATOM 0 H GLU A 28 -13.450 8.486 1.651 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.129 10.999 2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.891 9.640 3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.438 8.983 4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.345 10.857 5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.883 11.731 4.052 1.00 0.00 H new ATOM 422 N LYS A 29 -10.467 8.219 2.670 1.00 0.00 N ATOM 423 CA LYS A 29 -9.132 7.663 2.811 1.00 0.00 C ATOM 424 C LYS A 29 -8.245 8.186 1.679 1.00 0.00 C ATOM 425 O LYS A 29 -8.633 8.147 0.513 1.00 0.00 O ATOM 426 CB LYS A 29 -9.194 6.136 2.889 1.00 0.00 C ATOM 427 CG LYS A 29 -10.070 5.681 4.057 1.00 0.00 C ATOM 428 CD LYS A 29 -10.020 4.161 4.221 1.00 0.00 C ATOM 429 CE LYS A 29 -9.692 3.776 5.666 1.00 0.00 C ATOM 430 NZ LYS A 29 -8.862 2.551 5.700 1.00 0.00 N ATOM 0 H LYS A 29 -11.223 7.540 2.758 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.680 7.989 3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.591 5.737 1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.188 5.733 3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.734 6.161 4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.099 5.998 3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.979 3.729 3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.269 3.744 3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.164 4.594 6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.614 3.613 6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.648 2.304 6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.379 1.768 5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.974 2.719 5.185 1.00 0.00 H new ATOM 444 N ARG A 30 -7.070 8.663 2.064 1.00 0.00 N ATOM 445 CA ARG A 30 -6.125 9.193 1.096 1.00 0.00 C ATOM 446 C ARG A 30 -4.885 8.299 1.021 1.00 0.00 C ATOM 447 O ARG A 30 -4.214 8.248 -0.009 1.00 0.00 O ATOM 448 CB ARG A 30 -5.697 10.615 1.466 1.00 0.00 C ATOM 449 CG ARG A 30 -5.465 11.460 0.212 1.00 0.00 C ATOM 450 CD ARG A 30 -6.790 11.969 -0.359 1.00 0.00 C ATOM 451 NE ARG A 30 -6.545 12.735 -1.602 1.00 0.00 N ATOM 452 CZ ARG A 30 -7.515 13.227 -2.385 1.00 0.00 C ATOM 453 NH1 ARG A 30 -8.800 13.037 -2.059 1.00 0.00 N ATOM 454 NH2 ARG A 30 -7.199 13.910 -3.493 1.00 0.00 N ATOM 0 H ARG A 30 -6.751 8.693 3.032 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.621 9.215 0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.464 11.080 2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.784 10.581 2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.820 12.305 0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.945 10.866 -0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.453 11.129 -0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.293 12.600 0.374 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.577 12.899 -1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.041 12.518 -1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.538 13.412 -2.655 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.220 14.056 -3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.937 14.285 -4.089 1.00 0.00 H new ATOM 468 N SER A 31 -4.620 7.615 2.124 1.00 0.00 N ATOM 469 CA SER A 31 -3.473 6.726 2.196 1.00 0.00 C ATOM 470 C SER A 31 -3.799 5.522 3.082 1.00 0.00 C ATOM 471 O SER A 31 -4.707 5.583 3.909 1.00 0.00 O ATOM 472 CB SER A 31 -2.240 7.459 2.728 1.00 0.00 C ATOM 473 OG SER A 31 -2.242 8.838 2.370 1.00 0.00 O ATOM 0 H SER A 31 -5.180 7.658 2.975 1.00 0.00 H new ATOM 0 HA SER A 31 -3.247 6.377 1.188 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.204 7.366 3.813 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.340 6.985 2.337 1.00 0.00 H new ATOM 0 HG SER A 31 -1.439 9.270 2.730 1.00 0.00 H new ATOM 479 N LEU A 32 -3.039 4.455 2.879 1.00 0.00 N ATOM 480 CA LEU A 32 -3.236 3.239 3.649 1.00 0.00 C ATOM 481 C LEU A 32 -1.938 2.886 4.377 1.00 0.00 C ATOM 482 O LEU A 32 -0.867 3.373 4.017 1.00 0.00 O ATOM 483 CB LEU A 32 -3.763 2.117 2.753 1.00 0.00 C ATOM 484 CG LEU A 32 -4.167 0.824 3.465 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.326 1.070 4.433 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.489 -0.280 2.455 1.00 0.00 C ATOM 0 H LEU A 32 -2.286 4.408 2.192 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.999 3.391 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.627 2.492 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.997 1.878 2.015 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.319 0.481 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.593 0.135 4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.025 1.802 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.187 1.448 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.773 -1.188 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.313 0.040 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.611 -0.479 1.841 1.00 0.00 H new ATOM 498 N GLU A 33 -2.075 2.041 5.389 1.00 0.00 N ATOM 499 CA GLU A 33 -0.926 1.617 6.171 1.00 0.00 C ATOM 500 C GLU A 33 -0.941 0.098 6.355 1.00 0.00 C ATOM 501 O GLU A 33 -1.870 -0.450 6.946 1.00 0.00 O ATOM 502 CB GLU A 33 -0.888 2.333 7.522 1.00 0.00 C ATOM 503 CG GLU A 33 -1.037 3.846 7.346 1.00 0.00 C ATOM 504 CD GLU A 33 -1.046 4.557 8.700 1.00 0.00 C ATOM 505 OE1 GLU A 33 -1.890 4.172 9.538 1.00 0.00 O ATOM 506 OE2 GLU A 33 -0.209 5.470 8.867 1.00 0.00 O ATOM 0 H GLU A 33 -2.964 1.639 5.685 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.021 1.889 5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.688 1.957 8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.052 2.113 8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.218 4.227 6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.961 4.064 6.810 1.00 0.00 H new ATOM 513 N LEU A 34 0.100 -0.539 5.838 1.00 0.00 N ATOM 514 CA LEU A 34 0.218 -1.983 5.938 1.00 0.00 C ATOM 515 C LEU A 34 1.117 -2.336 7.125 1.00 0.00 C ATOM 516 O LEU A 34 1.840 -1.482 7.635 1.00 0.00 O ATOM 517 CB LEU A 34 0.693 -2.575 4.610 1.00 0.00 C ATOM 518 CG LEU A 34 -0.378 -2.751 3.532 1.00 0.00 C ATOM 519 CD1 LEU A 34 0.220 -3.347 2.256 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.552 -3.581 4.056 1.00 0.00 C ATOM 0 H LEU A 34 0.869 -0.081 5.349 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.756 -2.432 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.480 -1.935 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.143 -3.548 4.809 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.768 -1.766 3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.563 -3.462 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.995 -2.683 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.655 -4.322 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.299 -3.691 3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.195 -4.566 4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.999 -3.078 4.914 1.00 0.00 H new ATOM 532 N ASP A 35 1.041 -3.595 7.530 1.00 0.00 N ATOM 533 CA ASP A 35 1.838 -4.071 8.647 1.00 0.00 C ATOM 534 C ASP A 35 3.303 -4.168 8.218 1.00 0.00 C ATOM 535 O ASP A 35 3.597 -4.424 7.051 1.00 0.00 O ATOM 536 CB ASP A 35 1.384 -5.462 9.095 1.00 0.00 C ATOM 537 CG ASP A 35 0.081 -5.490 9.896 1.00 0.00 C ATOM 538 OD1 ASP A 35 -0.904 -4.901 9.399 1.00 0.00 O ATOM 539 OD2 ASP A 35 0.098 -6.099 10.987 1.00 0.00 O ATOM 0 H ASP A 35 0.439 -4.300 7.104 1.00 0.00 H new ATOM 0 HA ASP A 35 1.716 -3.369 9.471 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.264 -6.090 8.212 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.174 -5.908 9.699 1.00 0.00 H new ATOM 544 N PRO A 36 4.209 -3.953 9.210 1.00 0.00 N ATOM 545 CA PRO A 36 5.636 -4.013 8.947 1.00 0.00 C ATOM 546 C PRO A 36 6.104 -5.461 8.787 1.00 0.00 C ATOM 547 O PRO A 36 6.312 -6.163 9.776 1.00 0.00 O ATOM 548 CB PRO A 36 6.284 -3.306 10.126 1.00 0.00 C ATOM 549 CG PRO A 36 5.236 -3.287 11.227 1.00 0.00 C ATOM 550 CD PRO A 36 3.898 -3.648 10.604 1.00 0.00 C ATOM 0 HA PRO A 36 5.911 -3.529 8.010 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.182 -3.831 10.451 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.586 -2.294 9.857 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.495 -3.997 12.013 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.188 -2.302 11.691 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.446 -4.504 11.105 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.190 -2.823 10.680 1.00 0.00 H new ATOM 558 N CYS A 37 6.255 -5.866 7.535 1.00 0.00 N ATOM 559 CA CYS A 37 6.694 -7.218 7.233 1.00 0.00 C ATOM 560 C CYS A 37 8.127 -7.383 7.743 1.00 0.00 C ATOM 561 O CYS A 37 8.697 -6.454 8.314 1.00 0.00 O ATOM 562 CB CYS A 37 6.580 -7.529 5.739 1.00 0.00 C ATOM 563 SG CYS A 37 4.826 -7.783 5.285 1.00 0.00 S ATOM 0 H CYS A 37 6.081 -5.282 6.717 1.00 0.00 H new ATOM 0 HA CYS A 37 6.046 -7.935 7.737 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.000 -6.710 5.156 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.159 -8.421 5.500 1.00 0.00 H new ATOM 0 HG CYS A 37 4.740 -8.044 4.014 1.00 0.00 H new ATOM 569 N THR A 38 8.669 -8.571 7.517 1.00 0.00 N ATOM 570 CA THR A 38 10.024 -8.869 7.946 1.00 0.00 C ATOM 571 C THR A 38 11.026 -8.481 6.856 1.00 0.00 C ATOM 572 O THR A 38 11.996 -7.773 7.123 1.00 0.00 O ATOM 573 CB THR A 38 10.085 -10.349 8.328 1.00 0.00 C ATOM 574 OG1 THR A 38 9.896 -11.034 7.093 1.00 0.00 O ATOM 575 CG2 THR A 38 8.890 -10.782 9.181 1.00 0.00 C ATOM 0 H THR A 38 8.194 -9.338 7.042 1.00 0.00 H new ATOM 0 HA THR A 38 10.300 -8.281 8.822 1.00 0.00 H new ATOM 0 HB THR A 38 11.010 -10.547 8.870 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.923 -12.001 7.248 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.982 -11.840 9.425 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.869 -10.198 10.101 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.967 -10.616 8.625 1.00 0.00 H new ATOM 583 N GLY A 39 10.757 -8.963 5.652 1.00 0.00 N ATOM 584 CA GLY A 39 11.623 -8.676 4.520 1.00 0.00 C ATOM 585 C GLY A 39 11.084 -9.319 3.241 1.00 0.00 C ATOM 586 O GLY A 39 10.760 -8.622 2.280 1.00 0.00 O ATOM 0 H GLY A 39 9.952 -9.550 5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.703 -7.598 4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.628 -9.047 4.723 1.00 0.00 H new ATOM 590 N PHE A 40 11.003 -10.641 3.269 1.00 0.00 N ATOM 591 CA PHE A 40 10.509 -11.386 2.124 1.00 0.00 C ATOM 592 C PHE A 40 9.087 -10.953 1.760 1.00 0.00 C ATOM 593 O PHE A 40 8.856 -10.412 0.680 1.00 0.00 O ATOM 594 CB PHE A 40 10.494 -12.863 2.523 1.00 0.00 C ATOM 595 CG PHE A 40 10.419 -13.827 1.337 1.00 0.00 C ATOM 596 CD1 PHE A 40 11.497 -13.991 0.525 1.00 0.00 C ATOM 597 CD2 PHE A 40 9.274 -14.520 1.096 1.00 0.00 C ATOM 598 CE1 PHE A 40 11.427 -14.886 -0.576 1.00 0.00 C ATOM 599 CE2 PHE A 40 9.204 -15.415 -0.005 1.00 0.00 C ATOM 600 CZ PHE A 40 10.282 -15.579 -0.817 1.00 0.00 C ATOM 0 H PHE A 40 11.272 -11.216 4.068 1.00 0.00 H new ATOM 0 HA PHE A 40 11.147 -11.205 1.259 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.392 -13.082 3.100 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.642 -13.043 3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.406 -13.441 0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.418 -14.390 1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.283 -15.016 -1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.295 -15.965 -0.197 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.229 -16.260 -1.654 1.00 0.00 H new ATOM 610 N GLN A 41 8.172 -11.208 2.684 1.00 0.00 N ATOM 611 CA GLN A 41 6.779 -10.852 2.474 1.00 0.00 C ATOM 612 C GLN A 41 6.669 -9.409 1.978 1.00 0.00 C ATOM 613 O GLN A 41 5.722 -9.061 1.273 1.00 0.00 O ATOM 614 CB GLN A 41 5.963 -11.056 3.752 1.00 0.00 C ATOM 615 CG GLN A 41 5.356 -12.460 3.797 1.00 0.00 C ATOM 616 CD GLN A 41 4.864 -12.800 5.205 1.00 0.00 C ATOM 617 OE1 GLN A 41 5.025 -12.041 6.147 1.00 0.00 O ATOM 618 NE2 GLN A 41 4.257 -13.980 5.296 1.00 0.00 N ATOM 0 H GLN A 41 8.368 -11.656 3.579 1.00 0.00 H new ATOM 0 HA GLN A 41 6.367 -11.511 1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.600 -10.903 4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.169 -10.311 3.804 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.527 -12.524 3.093 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.100 -13.192 3.481 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.156 -14.567 4.468 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.893 -14.298 6.194 1.00 0.00 H new ATOM 627 N ARG A 42 7.650 -8.607 2.366 1.00 0.00 N ATOM 628 CA ARG A 42 7.675 -7.209 1.970 1.00 0.00 C ATOM 629 C ARG A 42 7.853 -7.090 0.455 1.00 0.00 C ATOM 630 O ARG A 42 7.099 -6.379 -0.209 1.00 0.00 O ATOM 631 CB ARG A 42 8.809 -6.458 2.670 1.00 0.00 C ATOM 632 CG ARG A 42 8.437 -4.992 2.898 1.00 0.00 C ATOM 633 CD ARG A 42 9.441 -4.311 3.830 1.00 0.00 C ATOM 634 NE ARG A 42 10.602 -3.822 3.054 1.00 0.00 N ATOM 635 CZ ARG A 42 11.693 -3.269 3.601 1.00 0.00 C ATOM 636 NH1 ARG A 42 11.779 -3.132 4.931 1.00 0.00 N ATOM 637 NH2 ARG A 42 12.699 -2.854 2.819 1.00 0.00 N ATOM 0 H ARG A 42 8.433 -8.899 2.950 1.00 0.00 H new ATOM 0 HA ARG A 42 6.724 -6.764 2.264 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.030 -6.934 3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.715 -6.517 2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.408 -4.468 1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.437 -4.929 3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.963 -3.479 4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.774 -5.013 4.594 1.00 0.00 H new ATOM 0 HE ARG A 42 10.570 -3.912 2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.014 -3.449 5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.609 -2.711 5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.635 -2.959 1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.529 -2.433 3.236 1.00 0.00 H new ATOM 651 N LYS A 43 8.853 -7.798 -0.049 1.00 0.00 N ATOM 652 CA LYS A 43 9.139 -7.781 -1.473 1.00 0.00 C ATOM 653 C LYS A 43 7.923 -8.303 -2.240 1.00 0.00 C ATOM 654 O LYS A 43 7.692 -7.915 -3.385 1.00 0.00 O ATOM 655 CB LYS A 43 10.429 -8.548 -1.770 1.00 0.00 C ATOM 656 CG LYS A 43 10.245 -10.047 -1.521 1.00 0.00 C ATOM 657 CD LYS A 43 10.929 -10.872 -2.613 1.00 0.00 C ATOM 658 CE LYS A 43 12.403 -11.108 -2.279 1.00 0.00 C ATOM 659 NZ LYS A 43 13.084 -11.796 -3.399 1.00 0.00 N ATOM 0 H LYS A 43 9.475 -8.387 0.504 1.00 0.00 H new ATOM 0 HA LYS A 43 9.317 -6.761 -1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.725 -8.381 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.235 -8.168 -1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.659 -10.311 -0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.182 -10.287 -1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.420 -11.829 -2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.847 -10.355 -3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.893 -10.156 -2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.485 -11.707 -1.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.084 -11.949 -3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.626 -12.713 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.021 -11.210 -4.256 1.00 0.00 H new ATOM 673 N LEU A 44 7.176 -9.175 -1.578 1.00 0.00 N ATOM 674 CA LEU A 44 5.989 -9.754 -2.183 1.00 0.00 C ATOM 675 C LEU A 44 4.950 -8.655 -2.413 1.00 0.00 C ATOM 676 O LEU A 44 4.376 -8.555 -3.496 1.00 0.00 O ATOM 677 CB LEU A 44 5.472 -10.921 -1.339 1.00 0.00 C ATOM 678 CG LEU A 44 6.505 -11.987 -0.965 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.885 -13.059 -0.066 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.149 -12.589 -2.215 1.00 0.00 C ATOM 0 H LEU A 44 7.370 -9.494 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 44 6.228 -10.177 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.046 -10.518 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.660 -11.405 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 44 7.300 -11.507 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.640 -13.804 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.513 -12.597 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.060 -13.541 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.879 -13.343 -1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.380 -13.050 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.648 -11.803 -2.782 1.00 0.00 H new ATOM 692 N ILE A 45 4.741 -7.857 -1.376 1.00 0.00 N ATOM 693 CA ILE A 45 3.781 -6.768 -1.451 1.00 0.00 C ATOM 694 C ILE A 45 4.146 -5.853 -2.622 1.00 0.00 C ATOM 695 O ILE A 45 3.288 -5.498 -3.428 1.00 0.00 O ATOM 696 CB ILE A 45 3.689 -6.042 -0.108 1.00 0.00 C ATOM 697 CG1 ILE A 45 3.166 -6.976 0.985 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.845 -4.771 -0.229 1.00 0.00 C ATOM 699 CD1 ILE A 45 3.234 -6.305 2.359 1.00 0.00 C ATOM 0 H ILE A 45 5.220 -7.943 -0.479 1.00 0.00 H new ATOM 0 HA ILE A 45 2.781 -7.154 -1.647 1.00 0.00 H new ATOM 0 HB ILE A 45 4.693 -5.735 0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.137 -7.259 0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.753 -7.894 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.795 -4.274 0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.300 -4.100 -0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.838 -5.032 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.856 -6.990 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.268 -6.046 2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.626 -5.400 2.353 1.00 0.00 H new ATOM 711 N TYR A 46 5.421 -5.496 -2.677 1.00 0.00 N ATOM 712 CA TYR A 46 5.910 -4.628 -3.735 1.00 0.00 C ATOM 713 C TYR A 46 5.778 -5.303 -5.102 1.00 0.00 C ATOM 714 O TYR A 46 5.189 -4.739 -6.022 1.00 0.00 O ATOM 715 CB TYR A 46 7.392 -4.393 -3.436 1.00 0.00 C ATOM 716 CG TYR A 46 7.647 -3.437 -2.269 1.00 0.00 C ATOM 717 CD1 TYR A 46 7.024 -2.206 -2.237 1.00 0.00 C ATOM 718 CD2 TYR A 46 8.501 -3.805 -1.250 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.264 -1.306 -1.138 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.741 -2.905 -0.151 1.00 0.00 C ATOM 721 CZ TYR A 46 8.111 -1.700 -0.150 1.00 0.00 C ATOM 722 OH TYR A 46 8.338 -0.850 0.888 1.00 0.00 O ATOM 0 H TYR A 46 6.130 -5.792 -2.006 1.00 0.00 H new ATOM 0 HA TYR A 46 5.338 -3.701 -3.767 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.864 -5.351 -3.218 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.874 -3.996 -4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.357 -1.917 -3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.990 -4.768 -1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.782 -0.340 -1.100 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.406 -3.181 0.654 1.00 0.00 H new ATOM 0 HH TYR A 46 7.591 -0.221 0.965 1.00 0.00 H new ATOM 732 N GLN A 47 6.338 -6.501 -5.191 1.00 0.00 N ATOM 733 CA GLN A 47 6.290 -7.258 -6.430 1.00 0.00 C ATOM 734 C GLN A 47 4.859 -7.303 -6.971 1.00 0.00 C ATOM 735 O GLN A 47 4.620 -6.976 -8.132 1.00 0.00 O ATOM 736 CB GLN A 47 6.846 -8.670 -6.231 1.00 0.00 C ATOM 737 CG GLN A 47 8.256 -8.791 -6.811 1.00 0.00 C ATOM 738 CD GLN A 47 8.534 -10.219 -7.285 1.00 0.00 C ATOM 739 OE1 GLN A 47 9.093 -11.038 -6.575 1.00 0.00 O ATOM 740 NE2 GLN A 47 8.113 -10.470 -8.522 1.00 0.00 N ATOM 0 H GLN A 47 6.827 -6.965 -4.426 1.00 0.00 H new ATOM 0 HA GLN A 47 6.919 -6.755 -7.165 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.864 -8.911 -5.168 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.188 -9.395 -6.711 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.371 -8.099 -7.645 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.989 -8.505 -6.057 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.652 -9.738 -9.062 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.251 -11.394 -8.930 1.00 0.00 H new ATOM 749 N THR A 48 3.945 -7.710 -6.102 1.00 0.00 N ATOM 750 CA THR A 48 2.545 -7.802 -6.478 1.00 0.00 C ATOM 751 C THR A 48 2.037 -6.448 -6.978 1.00 0.00 C ATOM 752 O THR A 48 1.721 -6.297 -8.157 1.00 0.00 O ATOM 753 CB THR A 48 1.766 -8.336 -5.273 1.00 0.00 C ATOM 754 OG1 THR A 48 2.122 -9.715 -5.214 1.00 0.00 O ATOM 755 CG2 THR A 48 0.255 -8.350 -5.513 1.00 0.00 C ATOM 0 H THR A 48 4.147 -7.980 -5.139 1.00 0.00 H new ATOM 0 HA THR A 48 2.403 -8.494 -7.308 1.00 0.00 H new ATOM 0 HB THR A 48 1.988 -7.727 -4.397 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.940 -9.819 -4.684 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.250 -8.737 -4.628 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.091 -7.336 -5.714 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.028 -8.987 -6.368 1.00 0.00 H new ATOM 763 N LEU A 49 1.974 -5.499 -6.056 1.00 0.00 N ATOM 764 CA LEU A 49 1.510 -4.163 -6.389 1.00 0.00 C ATOM 765 C LEU A 49 2.236 -3.673 -7.643 1.00 0.00 C ATOM 766 O LEU A 49 1.732 -2.809 -8.359 1.00 0.00 O ATOM 767 CB LEU A 49 1.660 -3.228 -5.187 1.00 0.00 C ATOM 768 CG LEU A 49 0.896 -3.632 -3.924 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.101 -2.606 -2.808 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.586 -3.858 -4.229 1.00 0.00 C ATOM 0 H LEU A 49 2.236 -5.629 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 49 0.445 -4.177 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.719 -3.154 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.332 -2.232 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 49 1.300 -4.580 -3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.548 -2.917 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.162 -2.537 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.740 -1.632 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.106 -4.144 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.021 -2.939 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.688 -4.652 -4.968 1.00 0.00 H new ATOM 782 N SER A 50 3.409 -4.246 -7.871 1.00 0.00 N ATOM 783 CA SER A 50 4.210 -3.878 -9.026 1.00 0.00 C ATOM 784 C SER A 50 3.382 -4.022 -10.304 1.00 0.00 C ATOM 785 O SER A 50 3.457 -3.178 -11.196 1.00 0.00 O ATOM 786 CB SER A 50 5.475 -4.734 -9.114 1.00 0.00 C ATOM 787 OG SER A 50 6.572 -4.010 -9.666 1.00 0.00 O ATOM 0 H SER A 50 3.824 -4.963 -7.275 1.00 0.00 H new ATOM 0 HA SER A 50 4.515 -2.838 -8.913 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.741 -5.092 -8.119 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.276 -5.613 -9.727 1.00 0.00 H new ATOM 0 HG SER A 50 7.361 -4.590 -9.704 1.00 0.00 H new ATOM 793 N TRP A 51 2.610 -5.098 -10.353 1.00 0.00 N ATOM 794 CA TRP A 51 1.768 -5.364 -11.507 1.00 0.00 C ATOM 795 C TRP A 51 0.310 -5.179 -11.082 1.00 0.00 C ATOM 796 O TRP A 51 -0.528 -4.772 -11.885 1.00 0.00 O ATOM 797 CB TRP A 51 2.051 -6.752 -12.084 1.00 0.00 C ATOM 798 CG TRP A 51 2.147 -7.857 -11.030 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.245 -8.317 -10.415 1.00 0.00 C ATOM 800 CD2 TRP A 51 1.052 -8.625 -10.487 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.940 -9.322 -9.520 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.564 -9.515 -9.566 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.324 -8.570 -10.767 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.769 -10.417 -8.848 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.105 -9.478 -10.042 1.00 0.00 C ATOM 806 CH2 TRP A 51 -0.606 -10.380 -9.110 1.00 0.00 C ATOM 0 H TRP A 51 2.550 -5.796 -9.612 1.00 0.00 H new ATOM 0 HA TRP A 51 1.987 -4.664 -12.313 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.263 -7.007 -12.792 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.985 -6.717 -12.645 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.243 -7.948 -10.597 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.602 -9.830 -8.933 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.746 -7.882 -11.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.193 -11.104 -8.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.170 -9.477 -10.220 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.276 -11.049 -8.590 1.00 0.00 H new ATOM 817 N LYS A 52 0.052 -5.487 -9.819 1.00 0.00 N ATOM 818 CA LYS A 52 -1.290 -5.360 -9.278 1.00 0.00 C ATOM 819 C LYS A 52 -1.733 -3.897 -9.361 1.00 0.00 C ATOM 820 O LYS A 52 -2.911 -3.612 -9.569 1.00 0.00 O ATOM 821 CB LYS A 52 -1.355 -5.943 -7.865 1.00 0.00 C ATOM 822 CG LYS A 52 -1.810 -7.403 -7.895 1.00 0.00 C ATOM 823 CD LYS A 52 -2.772 -7.702 -6.743 1.00 0.00 C ATOM 824 CE LYS A 52 -4.227 -7.628 -7.211 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.922 -8.907 -6.946 1.00 0.00 N ATOM 0 H LYS A 52 0.750 -5.824 -9.155 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.996 -5.941 -9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.375 -5.873 -7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.043 -5.356 -7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.299 -7.616 -8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.942 -8.059 -7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.566 -8.694 -6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.610 -6.989 -5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.740 -6.815 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.261 -7.403 -8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.888 -8.714 -6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.964 -9.467 -7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.403 -9.440 -6.219 1.00 0.00 H new ATOM 839 N TYR A 53 -0.764 -3.009 -9.193 1.00 0.00 N ATOM 840 CA TYR A 53 -1.039 -1.583 -9.246 1.00 0.00 C ATOM 841 C TYR A 53 0.213 -0.798 -9.643 1.00 0.00 C ATOM 842 O TYR A 53 0.903 -0.248 -8.785 1.00 0.00 O ATOM 843 CB TYR A 53 -1.452 -1.180 -7.829 1.00 0.00 C ATOM 844 CG TYR A 53 -2.662 -1.947 -7.292 1.00 0.00 C ATOM 845 CD1 TYR A 53 -2.482 -3.141 -6.624 1.00 0.00 C ATOM 846 CD2 TYR A 53 -3.934 -1.444 -7.476 1.00 0.00 C ATOM 847 CE1 TYR A 53 -3.621 -3.862 -6.119 1.00 0.00 C ATOM 848 CE2 TYR A 53 -5.074 -2.166 -6.971 1.00 0.00 C ATOM 849 CZ TYR A 53 -4.861 -3.339 -6.317 1.00 0.00 C ATOM 850 OH TYR A 53 -5.936 -4.020 -5.840 1.00 0.00 O ATOM 0 H TYR A 53 0.212 -3.249 -9.020 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.812 -1.368 -9.983 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.608 -1.337 -7.157 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.676 -0.113 -7.816 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.487 -3.535 -6.480 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.075 -0.509 -7.998 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.494 -4.797 -5.595 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.075 -1.784 -7.109 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.756 -3.528 -6.053 1.00 0.00 H new ATOM 860 N PRO A 54 0.476 -0.770 -10.977 1.00 0.00 N ATOM 861 CA PRO A 54 1.633 -0.061 -11.497 1.00 0.00 C ATOM 862 C PRO A 54 1.404 1.452 -11.475 1.00 0.00 C ATOM 863 O PRO A 54 2.325 2.218 -11.197 1.00 0.00 O ATOM 864 CB PRO A 54 1.833 -0.612 -12.900 1.00 0.00 C ATOM 865 CG PRO A 54 0.515 -1.263 -13.284 1.00 0.00 C ATOM 866 CD PRO A 54 -0.318 -1.410 -12.021 1.00 0.00 C ATOM 0 HA PRO A 54 2.527 -0.213 -10.892 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.094 0.183 -13.598 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.647 -1.336 -12.923 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.011 -0.655 -14.020 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.689 -2.237 -13.742 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.290 -0.929 -12.130 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.505 -2.459 -11.790 1.00 0.00 H new ATOM 874 N LYS A 55 0.172 1.836 -11.772 1.00 0.00 N ATOM 875 CA LYS A 55 -0.189 3.243 -11.790 1.00 0.00 C ATOM 876 C LYS A 55 -1.555 3.424 -11.125 1.00 0.00 C ATOM 877 O LYS A 55 -2.557 2.896 -11.604 1.00 0.00 O ATOM 878 CB LYS A 55 -0.122 3.796 -13.216 1.00 0.00 C ATOM 879 CG LYS A 55 -1.129 3.090 -14.125 1.00 0.00 C ATOM 880 CD LYS A 55 -0.450 2.564 -15.392 1.00 0.00 C ATOM 881 CE LYS A 55 -0.620 3.547 -16.552 1.00 0.00 C ATOM 882 NZ LYS A 55 -0.091 2.964 -17.806 1.00 0.00 N ATOM 0 H LYS A 55 -0.589 1.197 -12.002 1.00 0.00 H new ATOM 0 HA LYS A 55 0.528 3.827 -11.212 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.325 4.867 -13.205 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.885 3.667 -13.613 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.593 2.263 -13.587 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.927 3.782 -14.396 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.611 2.402 -15.200 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.876 1.598 -15.663 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.674 3.795 -16.675 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.098 4.477 -16.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.214 3.644 -18.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.920 2.750 -17.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.607 2.088 -18.027 1.00 0.00 H new ATOM 896 N GLY A 56 -1.551 4.171 -10.031 1.00 0.00 N ATOM 897 CA GLY A 56 -2.777 4.427 -9.295 1.00 0.00 C ATOM 898 C GLY A 56 -2.485 4.683 -7.815 1.00 0.00 C ATOM 899 O GLY A 56 -3.142 5.507 -7.182 1.00 0.00 O ATOM 0 H GLY A 56 -0.718 4.607 -9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.289 5.289 -9.723 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.450 3.575 -9.395 1.00 0.00 H new ATOM 903 N ILE A 57 -1.498 3.960 -7.306 1.00 0.00 N ATOM 904 CA ILE A 57 -1.110 4.098 -5.913 1.00 0.00 C ATOM 905 C ILE A 57 0.407 4.272 -5.824 1.00 0.00 C ATOM 906 O ILE A 57 1.125 3.993 -6.784 1.00 0.00 O ATOM 907 CB ILE A 57 -1.644 2.924 -5.089 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.354 1.591 -5.784 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.132 3.099 -4.784 1.00 0.00 C ATOM 910 CD1 ILE A 57 0.127 1.475 -6.151 1.00 0.00 C ATOM 0 H ILE A 57 -0.955 3.277 -7.834 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.559 4.992 -5.480 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.120 2.911 -4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.636 0.766 -5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.963 1.506 -6.684 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.485 2.251 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.282 4.019 -4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.691 3.152 -5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.306 0.519 -6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.399 2.287 -6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.732 1.536 -5.246 1.00 0.00 H new ATOM 922 N HIS A 58 0.851 4.732 -4.664 1.00 0.00 N ATOM 923 CA HIS A 58 2.271 4.947 -4.438 1.00 0.00 C ATOM 924 C HIS A 58 2.685 4.290 -3.120 1.00 0.00 C ATOM 925 O HIS A 58 2.389 4.807 -2.044 1.00 0.00 O ATOM 926 CB HIS A 58 2.610 6.438 -4.489 1.00 0.00 C ATOM 927 CG HIS A 58 3.974 6.777 -3.939 1.00 0.00 C ATOM 928 ND1 HIS A 58 4.466 6.706 -2.668 1.00 0.00 N flip ATOM 929 CD2 HIS A 58 5.005 7.251 -4.731 1.00 0.00 C flip ATOM 930 CE1 HIS A 58 5.729 7.114 -2.684 1.00 0.00 C flip ATOM 931 NE2 HIS A 58 6.065 7.453 -3.961 1.00 0.00 N flip ATOM 0 H HIS A 58 0.253 4.962 -3.870 1.00 0.00 H new ATOM 0 HA HIS A 58 2.845 4.476 -5.236 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.552 6.778 -5.523 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.856 6.991 -3.929 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.951 6.393 -1.845 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.955 7.427 -5.795 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.383 7.168 -1.826 1.00 0.00 H new ATOM 939 N VAL A 59 3.365 3.160 -3.247 1.00 0.00 N ATOM 940 CA VAL A 59 3.824 2.427 -2.080 1.00 0.00 C ATOM 941 C VAL A 59 5.055 3.122 -1.497 1.00 0.00 C ATOM 942 O VAL A 59 6.040 3.341 -2.201 1.00 0.00 O ATOM 943 CB VAL A 59 4.082 0.964 -2.448 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.398 0.133 -1.203 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.896 0.375 -3.214 1.00 0.00 C ATOM 0 H VAL A 59 3.609 2.734 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 59 3.056 2.423 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 59 4.953 0.931 -3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.577 -0.902 -1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.287 0.532 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.555 0.176 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.105 -0.665 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.001 0.427 -2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.736 0.943 -4.130 1.00 0.00 H new ATOM 955 N GLU A 60 4.960 3.451 -0.217 1.00 0.00 N ATOM 956 CA GLU A 60 6.054 4.118 0.468 1.00 0.00 C ATOM 957 C GLU A 60 6.332 3.439 1.811 1.00 0.00 C ATOM 958 O GLU A 60 5.422 2.898 2.437 1.00 0.00 O ATOM 959 CB GLU A 60 5.757 5.606 0.657 1.00 0.00 C ATOM 960 CG GLU A 60 4.376 5.815 1.282 1.00 0.00 C ATOM 961 CD GLU A 60 3.862 7.231 1.017 1.00 0.00 C ATOM 962 OE1 GLU A 60 4.304 8.142 1.750 1.00 0.00 O ATOM 963 OE2 GLU A 60 3.039 7.371 0.086 1.00 0.00 O ATOM 0 H GLU A 60 4.142 3.268 0.364 1.00 0.00 H new ATOM 0 HA GLU A 60 6.948 4.036 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.520 6.055 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.805 6.115 -0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.674 5.087 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.429 5.639 2.356 1.00 0.00 H new ATOM 970 N THR A 61 7.593 3.490 2.214 1.00 0.00 N ATOM 971 CA THR A 61 8.002 2.886 3.471 1.00 0.00 C ATOM 972 C THR A 61 8.299 3.969 4.510 1.00 0.00 C ATOM 973 O THR A 61 9.324 4.645 4.434 1.00 0.00 O ATOM 974 CB THR A 61 9.196 1.971 3.190 1.00 0.00 C ATOM 975 OG1 THR A 61 8.613 0.813 2.599 1.00 0.00 O ATOM 976 CG2 THR A 61 9.848 1.449 4.471 1.00 0.00 C ATOM 0 H THR A 61 8.345 3.940 1.692 1.00 0.00 H new ATOM 0 HA THR A 61 7.203 2.280 3.897 1.00 0.00 H new ATOM 0 HB THR A 61 9.937 2.511 2.601 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.952 0.706 1.686 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.689 0.805 4.215 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.203 2.290 5.067 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.117 0.880 5.045 1.00 0.00 H new ATOM 1127 N HIS A 70 7.212 0.659 7.953 1.00 0.00 N ATOM 1128 CA HIS A 70 5.962 0.037 7.552 1.00 0.00 C ATOM 1129 C HIS A 70 5.583 0.506 6.146 1.00 0.00 C ATOM 1130 O HIS A 70 5.868 1.642 5.769 1.00 0.00 O ATOM 1131 CB HIS A 70 4.865 0.308 8.583 1.00 0.00 C ATOM 1132 CG HIS A 70 4.123 1.605 8.365 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.795 1.777 8.715 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.537 2.789 7.831 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.437 3.013 8.399 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.518 3.639 7.851 1.00 0.00 N ATOM 0 HA HIS A 70 6.086 -1.045 7.515 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.151 -0.515 8.563 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.310 0.319 9.578 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.194 1.072 9.143 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.527 3.000 7.455 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.460 3.449 8.549 1.00 0.00 H new ATOM 1144 N ILE A 71 4.945 -0.391 5.409 1.00 0.00 N ATOM 1145 CA ILE A 71 4.524 -0.083 4.053 1.00 0.00 C ATOM 1146 C ILE A 71 3.273 0.797 4.100 1.00 0.00 C ATOM 1147 O ILE A 71 2.410 0.611 4.956 1.00 0.00 O ATOM 1148 CB ILE A 71 4.342 -1.368 3.243 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.693 -1.940 2.811 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.409 -1.139 2.052 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.548 -3.385 2.328 1.00 0.00 C ATOM 0 H ILE A 71 4.709 -1.332 5.725 1.00 0.00 H new ATOM 0 HA ILE A 71 5.296 0.486 3.534 1.00 0.00 H new ATOM 0 HB ILE A 71 3.868 -2.111 3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.113 -1.327 2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.392 -1.900 3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.297 -2.068 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.433 -0.812 2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.831 -0.373 1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.523 -3.768 2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.150 -4.000 3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.867 -3.418 1.478 1.00 0.00 H new ATOM 1163 N VAL A 72 3.214 1.736 3.167 1.00 0.00 N ATOM 1164 CA VAL A 72 2.083 2.646 3.091 1.00 0.00 C ATOM 1165 C VAL A 72 1.687 2.838 1.626 1.00 0.00 C ATOM 1166 O VAL A 72 2.548 2.981 0.760 1.00 0.00 O ATOM 1167 CB VAL A 72 2.421 3.961 3.797 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.496 5.086 3.330 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.363 3.798 5.317 1.00 0.00 C ATOM 0 H VAL A 72 3.931 1.886 2.457 1.00 0.00 H new ATOM 0 HA VAL A 72 1.220 2.228 3.609 1.00 0.00 H new ATOM 0 HB VAL A 72 3.442 4.233 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.757 6.010 3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.609 5.227 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.462 4.824 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.607 4.747 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.360 3.491 5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.081 3.040 5.629 1.00 0.00 H new ATOM 1179 N ILE A 73 0.382 2.835 1.394 1.00 0.00 N ATOM 1180 CA ILE A 73 -0.139 3.007 0.049 1.00 0.00 C ATOM 1181 C ILE A 73 -0.852 4.358 -0.048 1.00 0.00 C ATOM 1182 O ILE A 73 -1.886 4.565 0.584 1.00 0.00 O ATOM 1183 CB ILE A 73 -1.019 1.818 -0.341 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.227 0.510 -0.294 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.672 2.044 -1.706 1.00 0.00 C ATOM 1186 CD1 ILE A 73 0.136 0.141 1.146 1.00 0.00 C ATOM 0 H ILE A 73 -0.330 2.716 2.115 1.00 0.00 H new ATOM 0 HA ILE A 73 0.675 3.023 -0.676 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.823 1.734 0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.815 -0.292 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.682 0.609 -0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.292 1.184 -1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.292 2.940 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.898 2.169 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.699 -0.793 1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.744 0.934 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.775 0.019 1.731 1.00 0.00 H new ATOM 1198 N SER A 74 -0.270 5.242 -0.845 1.00 0.00 N ATOM 1199 CA SER A 74 -0.836 6.567 -1.033 1.00 0.00 C ATOM 1200 C SER A 74 -1.663 6.605 -2.320 1.00 0.00 C ATOM 1201 O SER A 74 -1.404 5.843 -3.250 1.00 0.00 O ATOM 1202 CB SER A 74 0.260 7.634 -1.075 1.00 0.00 C ATOM 1203 OG SER A 74 -0.199 8.848 -1.661 1.00 0.00 O ATOM 0 H SER A 74 0.588 5.067 -1.368 1.00 0.00 H new ATOM 0 HA SER A 74 -1.485 6.785 -0.185 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.613 7.831 -0.063 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.111 7.257 -1.642 1.00 0.00 H new ATOM 0 HG SER A 74 0.529 9.504 -1.668 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.641 7.499 -2.331 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.507 7.646 -3.488 1.00 0.00 C ATOM 1211 C LYS A 75 -2.762 8.412 -4.583 1.00 0.00 C ATOM 1212 O LYS A 75 -2.194 9.472 -4.328 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.836 8.287 -3.084 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.827 7.231 -2.591 1.00 0.00 C ATOM 1215 CD LYS A 75 -7.210 7.843 -2.357 1.00 0.00 C ATOM 1216 CE LYS A 75 -8.255 7.201 -3.271 1.00 0.00 C ATOM 1217 NZ LYS A 75 -9.553 7.900 -3.145 1.00 0.00 N ATOM 0 H LYS A 75 -2.853 8.129 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.763 6.670 -3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.665 9.024 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.260 8.820 -3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.901 6.427 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.460 6.787 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.500 7.707 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.172 8.917 -2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.914 7.238 -4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.375 6.149 -3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.098 7.781 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.087 7.499 -2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.387 8.913 -2.976 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.788 7.844 -5.780 1.00 0.00 N ATOM 1232 CA VAL A 76 -2.123 8.460 -6.915 1.00 0.00 C ATOM 1233 C VAL A 76 -3.100 8.547 -8.089 1.00 0.00 C ATOM 1234 O VAL A 76 -3.975 7.695 -8.237 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.847 7.687 -7.256 1.00 0.00 C ATOM 1236 CG1 VAL A 76 -0.098 8.349 -8.415 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.055 7.548 -6.028 1.00 0.00 C ATOM 0 H VAL A 76 -3.259 6.964 -5.988 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.817 9.477 -6.671 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.137 6.685 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.805 7.780 -8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.739 8.372 -9.297 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.174 9.367 -8.138 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.955 6.995 -6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.333 8.538 -5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.479 7.012 -5.243 1.00 0.00 H new