USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 420 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 55 HIS : no HE2:sc= -6.25 X(o=-6.4,f=-6.4!) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 47 TYR OH : rot 165:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.418 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 81:sc= 1.01 USER MOD Single : A 57 SER OG : rot 74:sc= 1.18 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -132:sc= -0.021 (180deg=-0.947) USER MOD Single : A 65 THR OG1 : rot -76:sc= 0.842 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -159:sc= -4.48! USER MOD Single : A 76 TYR OH : rot 165:sc= -0.169 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 45:sc= -1.02 USER MOD Single : A 83 LYS NZ :NH3+ -158:sc= -0.0332 (180deg=-0.227) USER MOD Single : A 84 LYS NZ :NH3+ 152:sc= -0.0646 (180deg=-0.418) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HE2:sc= -4.26! C(o=-4.3!,f=-6.7!) USER MOD Single : A 96 GLN : amide:sc= -2.37! X(o=-2.4!,f=-2.8) USER MOD ----------------------------------------------------------------- ATOM 54 N TYR A 47 -4.231 4.412 6.463 1.00 0.00 N ATOM 55 CA TYR A 47 -3.847 3.149 5.839 1.00 0.00 C ATOM 56 C TYR A 47 -3.637 2.060 6.886 1.00 0.00 C ATOM 57 O TYR A 47 -2.532 1.542 7.049 1.00 0.00 O ATOM 58 CB TYR A 47 -2.576 3.333 5.008 1.00 0.00 C ATOM 59 CG TYR A 47 -2.742 4.303 3.860 1.00 0.00 C ATOM 60 CD1 TYR A 47 -3.877 4.275 3.059 1.00 0.00 C ATOM 61 CD2 TYR A 47 -1.764 5.248 3.579 1.00 0.00 C ATOM 62 CE1 TYR A 47 -4.032 5.161 2.010 1.00 0.00 C ATOM 63 CE2 TYR A 47 -1.911 6.137 2.531 1.00 0.00 C ATOM 64 CZ TYR A 47 -3.046 6.090 1.750 1.00 0.00 C ATOM 65 OH TYR A 47 -3.196 6.974 0.707 1.00 0.00 O ATOM 0 HA TYR A 47 -4.659 2.837 5.182 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.774 3.685 5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.266 2.365 4.614 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.651 3.549 3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.874 5.289 4.189 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.920 5.126 1.397 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.140 6.865 2.325 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.549 7.704 0.801 1.00 0.00 H new ATOM 75 N SER A 48 -4.710 1.714 7.589 1.00 0.00 N ATOM 76 CA SER A 48 -4.650 0.681 8.616 1.00 0.00 C ATOM 77 C SER A 48 -4.511 -0.691 7.976 1.00 0.00 C ATOM 78 O SER A 48 -3.607 -1.455 8.307 1.00 0.00 O ATOM 79 CB SER A 48 -5.903 0.728 9.492 1.00 0.00 C ATOM 80 OG SER A 48 -7.068 0.455 8.732 1.00 0.00 O ATOM 0 H SER A 48 -5.631 2.134 7.466 1.00 0.00 H new ATOM 0 HA SER A 48 -3.778 0.866 9.243 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.813 0.001 10.299 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.990 1.711 9.956 1.00 0.00 H new ATOM 0 HG SER A 48 -7.855 0.489 9.315 1.00 0.00 H new ATOM 86 N GLU A 49 -5.419 -0.981 7.051 1.00 0.00 N ATOM 87 CA GLU A 49 -5.439 -2.244 6.328 1.00 0.00 C ATOM 88 C GLU A 49 -6.776 -2.418 5.620 1.00 0.00 C ATOM 89 O GLU A 49 -6.843 -2.982 4.532 1.00 0.00 O ATOM 90 CB GLU A 49 -5.206 -3.426 7.267 1.00 0.00 C ATOM 91 CG GLU A 49 -6.242 -3.542 8.372 1.00 0.00 C ATOM 92 CD GLU A 49 -5.626 -3.875 9.717 1.00 0.00 C ATOM 93 OE1 GLU A 49 -4.681 -3.170 10.128 1.00 0.00 O ATOM 94 OE2 GLU A 49 -6.090 -4.841 10.359 1.00 0.00 O ATOM 0 H GLU A 49 -6.166 -0.341 6.781 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.632 -2.221 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.205 -4.347 6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.217 -3.332 7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.791 -2.603 8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.965 -4.313 8.107 1.00 0.00 H new ATOM 101 N GLU A 50 -7.839 -1.930 6.250 1.00 0.00 N ATOM 102 CA GLU A 50 -9.180 -2.026 5.680 1.00 0.00 C ATOM 103 C GLU A 50 -9.235 -1.386 4.301 1.00 0.00 C ATOM 104 O GLU A 50 -9.537 -2.054 3.312 1.00 0.00 O ATOM 105 CB GLU A 50 -10.209 -1.372 6.608 1.00 0.00 C ATOM 106 CG GLU A 50 -9.735 -0.068 7.236 1.00 0.00 C ATOM 107 CD GLU A 50 -10.598 1.116 6.846 1.00 0.00 C ATOM 108 OE1 GLU A 50 -11.671 1.296 7.459 1.00 0.00 O ATOM 109 OE2 GLU A 50 -10.200 1.863 5.928 1.00 0.00 O ATOM 0 H GLU A 50 -7.799 -1.463 7.156 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.424 -3.083 5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.122 -1.181 6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.465 -2.074 7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.735 -0.171 8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.705 0.123 6.934 1.00 0.00 H new ATOM 116 N GLU A 51 -8.930 -0.095 4.230 1.00 0.00 N ATOM 117 CA GLU A 51 -8.937 0.606 2.956 1.00 0.00 C ATOM 118 C GLU A 51 -7.952 -0.061 2.012 1.00 0.00 C ATOM 119 O GLU A 51 -8.225 -0.231 0.824 1.00 0.00 O ATOM 120 CB GLU A 51 -8.572 2.080 3.149 1.00 0.00 C ATOM 121 CG GLU A 51 -9.295 3.015 2.194 1.00 0.00 C ATOM 122 CD GLU A 51 -10.541 3.625 2.807 1.00 0.00 C ATOM 123 OE1 GLU A 51 -11.406 2.858 3.279 1.00 0.00 O ATOM 124 OE2 GLU A 51 -10.651 4.869 2.814 1.00 0.00 O ATOM 0 H GLU A 51 -8.677 0.481 5.033 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.939 0.559 2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.802 2.372 4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.497 2.200 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.617 3.812 1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.569 2.467 1.292 1.00 0.00 H new ATOM 131 N LEU A 52 -6.811 -0.461 2.563 1.00 0.00 N ATOM 132 CA LEU A 52 -5.786 -1.138 1.788 1.00 0.00 C ATOM 133 C LEU A 52 -6.339 -2.430 1.202 1.00 0.00 C ATOM 134 O LEU A 52 -6.245 -2.669 -0.002 1.00 0.00 O ATOM 135 CB LEU A 52 -4.566 -1.430 2.659 1.00 0.00 C ATOM 136 CG LEU A 52 -4.020 -0.221 3.414 1.00 0.00 C ATOM 137 CD1 LEU A 52 -3.038 -0.657 4.491 1.00 0.00 C ATOM 138 CD2 LEU A 52 -3.363 0.756 2.450 1.00 0.00 C ATOM 0 H LEU A 52 -6.575 -0.326 3.546 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.479 -0.486 0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.828 -2.204 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.775 -1.836 2.029 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.854 0.285 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.661 0.220 5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.542 -1.315 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.206 -1.189 4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.979 1.612 3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.541 0.260 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.097 1.096 1.720 1.00 0.00 H new ATOM 150 N LYS A 53 -6.938 -3.255 2.062 1.00 0.00 N ATOM 151 CA LYS A 53 -7.528 -4.514 1.629 1.00 0.00 C ATOM 152 C LYS A 53 -8.507 -4.262 0.492 1.00 0.00 C ATOM 153 O LYS A 53 -8.460 -4.922 -0.546 1.00 0.00 O ATOM 154 CB LYS A 53 -8.241 -5.204 2.797 1.00 0.00 C ATOM 155 CG LYS A 53 -7.545 -6.469 3.277 1.00 0.00 C ATOM 156 CD LYS A 53 -7.252 -7.421 2.128 1.00 0.00 C ATOM 157 CE LYS A 53 -7.739 -8.830 2.427 1.00 0.00 C ATOM 158 NZ LYS A 53 -8.951 -9.179 1.637 1.00 0.00 N ATOM 0 H LYS A 53 -7.025 -3.070 3.061 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.732 -5.170 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.318 -4.504 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.258 -5.452 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.613 -6.204 3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.171 -6.971 4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.732 -7.055 1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.179 -7.440 1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.944 -9.543 2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.961 -8.919 3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.251 -10.147 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.718 -8.515 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.733 -9.119 0.622 1.00 0.00 H new ATOM 172 N THR A 54 -9.382 -3.281 0.693 1.00 0.00 N ATOM 173 CA THR A 54 -10.361 -2.914 -0.321 1.00 0.00 C ATOM 174 C THR A 54 -9.645 -2.530 -1.606 1.00 0.00 C ATOM 175 O THR A 54 -10.018 -2.962 -2.697 1.00 0.00 O ATOM 176 CB THR A 54 -11.231 -1.755 0.167 1.00 0.00 C ATOM 177 OG1 THR A 54 -11.515 -1.887 1.548 1.00 0.00 O ATOM 178 CG2 THR A 54 -12.552 -1.650 -0.565 1.00 0.00 C ATOM 0 H THR A 54 -9.432 -2.727 1.548 1.00 0.00 H new ATOM 0 HA THR A 54 -11.009 -3.770 -0.513 1.00 0.00 H new ATOM 0 HB THR A 54 -10.650 -0.854 -0.032 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.753 -1.561 2.071 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.121 -0.808 -0.171 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.368 -1.497 -1.628 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.120 -2.569 -0.424 1.00 0.00 H new ATOM 186 N HIS A 55 -8.596 -1.728 -1.458 1.00 0.00 N ATOM 187 CA HIS A 55 -7.796 -1.295 -2.592 1.00 0.00 C ATOM 188 C HIS A 55 -7.206 -2.507 -3.300 1.00 0.00 C ATOM 189 O HIS A 55 -7.337 -2.659 -4.514 1.00 0.00 O ATOM 190 CB HIS A 55 -6.677 -0.362 -2.124 1.00 0.00 C ATOM 191 CG HIS A 55 -7.174 0.867 -1.429 1.00 0.00 C ATOM 192 ND1 HIS A 55 -8.374 1.474 -1.737 1.00 0.00 N ATOM 193 CD2 HIS A 55 -6.627 1.604 -0.432 1.00 0.00 C ATOM 194 CE1 HIS A 55 -8.542 2.531 -0.962 1.00 0.00 C ATOM 195 NE2 HIS A 55 -7.498 2.631 -0.161 1.00 0.00 N ATOM 0 H HIS A 55 -8.281 -1.365 -0.558 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.434 -0.752 -3.289 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.017 -0.909 -1.450 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.078 -0.065 -2.985 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -9.029 1.156 -2.451 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.683 1.419 0.058 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.390 3.200 -0.981 1.00 0.00 H new ATOM 204 N ILE A 56 -6.566 -3.376 -2.522 1.00 0.00 N ATOM 205 CA ILE A 56 -5.964 -4.589 -3.061 1.00 0.00 C ATOM 206 C ILE A 56 -7.005 -5.433 -3.794 1.00 0.00 C ATOM 207 O ILE A 56 -6.756 -5.929 -4.892 1.00 0.00 O ATOM 208 CB ILE A 56 -5.302 -5.435 -1.953 1.00 0.00 C ATOM 209 CG1 ILE A 56 -4.261 -4.604 -1.202 1.00 0.00 C ATOM 210 CG2 ILE A 56 -4.661 -6.683 -2.543 1.00 0.00 C ATOM 211 CD1 ILE A 56 -4.045 -5.054 0.226 1.00 0.00 C ATOM 0 H ILE A 56 -6.452 -3.261 -1.515 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.193 -4.278 -3.766 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.073 -5.746 -1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.313 -4.654 -1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.573 -3.560 -1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.200 -7.266 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.424 -7.284 -3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.900 -6.393 -3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.294 -4.420 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.982 -4.978 0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.703 -6.089 0.234 1.00 0.00 H new ATOM 223 N SER A 57 -8.172 -5.590 -3.173 1.00 0.00 N ATOM 224 CA SER A 57 -9.257 -6.373 -3.757 1.00 0.00 C ATOM 225 C SER A 57 -9.579 -5.906 -5.175 1.00 0.00 C ATOM 226 O SER A 57 -9.301 -6.607 -6.148 1.00 0.00 O ATOM 227 CB SER A 57 -10.508 -6.278 -2.882 1.00 0.00 C ATOM 228 OG SER A 57 -10.252 -6.755 -1.572 1.00 0.00 O ATOM 0 H SER A 57 -8.390 -5.184 -2.263 1.00 0.00 H new ATOM 0 HA SER A 57 -8.929 -7.411 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.845 -5.243 -2.836 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.315 -6.856 -3.332 1.00 0.00 H new ATOM 0 HG SER A 57 -9.718 -6.095 -1.082 1.00 0.00 H new ATOM 234 N LYS A 58 -10.171 -4.721 -5.282 1.00 0.00 N ATOM 235 CA LYS A 58 -10.537 -4.163 -6.579 1.00 0.00 C ATOM 236 C LYS A 58 -9.303 -3.951 -7.452 1.00 0.00 C ATOM 237 O LYS A 58 -9.009 -4.759 -8.333 1.00 0.00 O ATOM 238 CB LYS A 58 -11.286 -2.840 -6.395 1.00 0.00 C ATOM 239 CG LYS A 58 -12.633 -2.993 -5.708 1.00 0.00 C ATOM 240 CD LYS A 58 -13.313 -1.648 -5.511 1.00 0.00 C ATOM 241 CE LYS A 58 -14.721 -1.810 -4.959 1.00 0.00 C ATOM 242 NZ LYS A 58 -14.808 -1.400 -3.530 1.00 0.00 N ATOM 0 H LYS A 58 -10.408 -4.128 -4.486 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.192 -4.875 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.666 -2.159 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.436 -2.378 -7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.275 -3.643 -6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.497 -3.478 -4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.722 -1.037 -4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.353 -1.117 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.414 -1.212 -5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.032 -2.850 -5.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.783 -1.525 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.166 -1.987 -2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.536 -0.400 -3.438 1.00 0.00 H new ATOM 256 N GLY A 59 -8.583 -2.861 -7.202 1.00 0.00 N ATOM 257 CA GLY A 59 -7.390 -2.568 -7.975 1.00 0.00 C ATOM 258 C GLY A 59 -7.017 -1.097 -7.950 1.00 0.00 C ATOM 259 O GLY A 59 -6.487 -0.569 -8.928 1.00 0.00 O ATOM 0 H GLY A 59 -8.804 -2.177 -6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.558 -3.155 -7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.546 -2.881 -9.007 1.00 0.00 H new ATOM 263 N THR A 60 -7.287 -0.434 -6.830 1.00 0.00 N ATOM 264 CA THR A 60 -6.970 0.982 -6.682 1.00 0.00 C ATOM 265 C THR A 60 -5.715 1.177 -5.835 1.00 0.00 C ATOM 266 O THR A 60 -5.155 2.272 -5.783 1.00 0.00 O ATOM 267 CB THR A 60 -8.147 1.726 -6.050 1.00 0.00 C ATOM 268 OG1 THR A 60 -8.638 1.022 -4.923 1.00 0.00 O ATOM 269 CG2 THR A 60 -9.305 1.934 -7.002 1.00 0.00 C ATOM 0 H THR A 60 -7.725 -0.855 -6.011 1.00 0.00 H new ATOM 0 HA THR A 60 -6.781 1.390 -7.675 1.00 0.00 H new ATOM 0 HB THR A 60 -7.753 2.702 -5.765 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.389 1.515 -4.532 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.106 2.467 -6.490 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.971 2.518 -7.860 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.674 0.967 -7.343 1.00 0.00 H new ATOM 277 N LEU A 61 -5.275 0.111 -5.172 1.00 0.00 N ATOM 278 CA LEU A 61 -4.086 0.173 -4.331 1.00 0.00 C ATOM 279 C LEU A 61 -2.864 0.581 -5.149 1.00 0.00 C ATOM 280 O LEU A 61 -1.917 1.163 -4.620 1.00 0.00 O ATOM 281 CB LEU A 61 -3.844 -1.180 -3.657 1.00 0.00 C ATOM 282 CG LEU A 61 -2.799 -1.175 -2.538 1.00 0.00 C ATOM 283 CD1 LEU A 61 -1.397 -1.058 -3.116 1.00 0.00 C ATOM 284 CD2 LEU A 61 -3.073 -0.045 -1.555 1.00 0.00 C ATOM 0 H LEU A 61 -5.724 -0.804 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.250 0.927 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.789 -1.538 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.534 -1.896 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.868 -2.120 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.668 -1.056 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.204 -1.904 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.313 -0.130 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.320 -0.058 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.034 0.910 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.061 -0.177 -1.115 1.00 0.00 H new ATOM 296 N GLY A 62 -2.894 0.275 -6.444 1.00 0.00 N ATOM 297 CA GLY A 62 -1.783 0.622 -7.312 1.00 0.00 C ATOM 298 C GLY A 62 -1.938 1.992 -7.944 1.00 0.00 C ATOM 299 O GLY A 62 -1.187 2.349 -8.852 1.00 0.00 O ATOM 0 H GLY A 62 -3.666 -0.206 -6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.857 0.594 -6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.694 -0.128 -8.098 1.00 0.00 H new ATOM 303 N LYS A 63 -2.907 2.766 -7.463 1.00 0.00 N ATOM 304 CA LYS A 63 -3.145 4.104 -7.990 1.00 0.00 C ATOM 305 C LYS A 63 -2.357 5.141 -7.195 1.00 0.00 C ATOM 306 O LYS A 63 -1.697 6.009 -7.768 1.00 0.00 O ATOM 307 CB LYS A 63 -4.640 4.435 -7.954 1.00 0.00 C ATOM 308 CG LYS A 63 -5.227 4.745 -9.321 1.00 0.00 C ATOM 309 CD LYS A 63 -5.796 3.498 -9.978 1.00 0.00 C ATOM 310 CE LYS A 63 -7.079 3.803 -10.735 1.00 0.00 C ATOM 311 NZ LYS A 63 -8.095 2.728 -10.562 1.00 0.00 N ATOM 0 H LYS A 63 -3.538 2.489 -6.711 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.806 4.129 -9.026 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.179 3.594 -7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.799 5.290 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.012 5.495 -9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.456 5.175 -9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.059 3.078 -10.663 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.992 2.742 -9.218 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.490 4.750 -10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.855 3.924 -11.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.485 2.466 -11.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.649 1.896 -10.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.862 3.071 -9.949 1.00 0.00 H new ATOM 325 N PHE A 64 -2.431 5.042 -5.870 1.00 0.00 N ATOM 326 CA PHE A 64 -1.726 5.967 -4.985 1.00 0.00 C ATOM 327 C PHE A 64 -0.272 6.149 -5.414 1.00 0.00 C ATOM 328 O PHE A 64 0.358 5.220 -5.919 1.00 0.00 O ATOM 329 CB PHE A 64 -1.782 5.464 -3.541 1.00 0.00 C ATOM 330 CG PHE A 64 -3.158 5.056 -3.101 1.00 0.00 C ATOM 331 CD1 PHE A 64 -4.188 5.982 -3.053 1.00 0.00 C ATOM 332 CD2 PHE A 64 -3.422 3.746 -2.736 1.00 0.00 C ATOM 333 CE1 PHE A 64 -5.456 5.608 -2.649 1.00 0.00 C ATOM 334 CE2 PHE A 64 -4.687 3.366 -2.331 1.00 0.00 C ATOM 335 CZ PHE A 64 -5.706 4.298 -2.287 1.00 0.00 C ATOM 0 H PHE A 64 -2.974 4.328 -5.384 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.224 6.935 -5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.108 4.614 -3.435 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.414 6.247 -2.878 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.998 7.007 -3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.629 3.013 -2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.250 6.339 -2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.879 2.341 -2.049 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.696 4.003 -1.970 1.00 0.00 H new ATOM 345 N THR A 65 0.251 7.351 -5.205 1.00 0.00 N ATOM 346 CA THR A 65 1.630 7.662 -5.564 1.00 0.00 C ATOM 347 C THR A 65 2.610 7.012 -4.594 1.00 0.00 C ATOM 348 O THR A 65 2.230 6.178 -3.772 1.00 0.00 O ATOM 349 CB THR A 65 1.842 9.177 -5.584 1.00 0.00 C ATOM 350 OG1 THR A 65 1.778 9.710 -4.273 1.00 0.00 O ATOM 351 CG2 THR A 65 0.823 9.911 -6.428 1.00 0.00 C ATOM 0 H THR A 65 -0.260 8.129 -4.788 1.00 0.00 H new ATOM 0 HA THR A 65 1.818 7.260 -6.560 1.00 0.00 H new ATOM 0 HB THR A 65 2.829 9.325 -6.022 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.843 9.756 -3.984 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.030 10.981 -6.400 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.881 9.557 -7.457 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.177 9.724 -6.036 1.00 0.00 H new ATOM 359 N VAL A 66 3.874 7.400 -4.704 1.00 0.00 N ATOM 360 CA VAL A 66 4.925 6.866 -3.849 1.00 0.00 C ATOM 361 C VAL A 66 4.874 7.480 -2.446 1.00 0.00 C ATOM 362 O VAL A 66 4.779 6.755 -1.456 1.00 0.00 O ATOM 363 CB VAL A 66 6.315 7.115 -4.470 1.00 0.00 C ATOM 364 CG1 VAL A 66 7.428 6.730 -3.504 1.00 0.00 C ATOM 365 CG2 VAL A 66 6.454 6.354 -5.779 1.00 0.00 C ATOM 0 H VAL A 66 4.198 8.089 -5.383 1.00 0.00 H new ATOM 0 HA VAL A 66 4.756 5.793 -3.763 1.00 0.00 H new ATOM 0 HB VAL A 66 6.407 8.182 -4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.395 6.917 -3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.343 7.325 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.344 5.672 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.440 6.540 -6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.334 5.287 -5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.688 6.689 -6.478 1.00 0.00 H new ATOM 375 N PRO A 67 4.938 8.822 -2.331 1.00 0.00 N ATOM 376 CA PRO A 67 4.900 9.500 -1.033 1.00 0.00 C ATOM 377 C PRO A 67 3.766 8.991 -0.149 1.00 0.00 C ATOM 378 O PRO A 67 3.910 8.889 1.069 1.00 0.00 O ATOM 379 CB PRO A 67 4.690 10.982 -1.386 1.00 0.00 C ATOM 380 CG PRO A 67 4.424 11.019 -2.856 1.00 0.00 C ATOM 381 CD PRO A 67 5.056 9.786 -3.432 1.00 0.00 C ATOM 0 HA PRO A 67 5.811 9.322 -0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.854 11.402 -0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.571 11.572 -1.133 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.353 11.036 -3.057 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.847 11.918 -3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.536 9.445 -4.327 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.096 9.956 -3.712 1.00 0.00 H new ATOM 389 N MET A 68 2.641 8.669 -0.772 1.00 0.00 N ATOM 390 CA MET A 68 1.483 8.163 -0.044 1.00 0.00 C ATOM 391 C MET A 68 1.629 6.670 0.235 1.00 0.00 C ATOM 392 O MET A 68 1.184 6.173 1.269 1.00 0.00 O ATOM 393 CB MET A 68 0.201 8.424 -0.837 1.00 0.00 C ATOM 394 CG MET A 68 -0.085 9.900 -1.063 1.00 0.00 C ATOM 395 SD MET A 68 -0.896 10.215 -2.643 1.00 0.00 S ATOM 396 CE MET A 68 -2.501 9.475 -2.353 1.00 0.00 C ATOM 0 H MET A 68 2.504 8.749 -1.780 1.00 0.00 H new ATOM 0 HA MET A 68 1.424 8.689 0.909 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.273 7.924 -1.803 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.641 7.976 -0.309 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.715 10.272 -0.255 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.850 10.458 -1.021 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.120 9.589 -3.243 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.378 8.415 -2.130 1.00 0.00 H new ATOM 0 HE3 MET A 68 -2.983 9.970 -1.510 1.00 0.00 H new ATOM 406 N LEU A 69 2.252 5.961 -0.701 1.00 0.00 N ATOM 407 CA LEU A 69 2.457 4.523 -0.568 1.00 0.00 C ATOM 408 C LEU A 69 3.343 4.191 0.629 1.00 0.00 C ATOM 409 O LEU A 69 2.973 3.375 1.472 1.00 0.00 O ATOM 410 CB LEU A 69 3.068 3.956 -1.849 1.00 0.00 C ATOM 411 CG LEU A 69 2.052 3.528 -2.911 1.00 0.00 C ATOM 412 CD1 LEU A 69 2.689 3.529 -4.293 1.00 0.00 C ATOM 413 CD2 LEU A 69 1.488 2.154 -2.583 1.00 0.00 C ATOM 0 H LEU A 69 2.625 6.360 -1.562 1.00 0.00 H new ATOM 0 HA LEU A 69 1.483 4.063 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.730 4.706 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.686 3.096 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 69 1.232 4.246 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.951 3.222 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.045 4.532 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.528 2.834 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.767 1.865 -3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.298 1.426 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.994 2.186 -1.612 1.00 0.00 H new ATOM 425 N LYS A 70 4.518 4.817 0.702 1.00 0.00 N ATOM 426 CA LYS A 70 5.440 4.562 1.805 1.00 0.00 C ATOM 427 C LYS A 70 4.725 4.659 3.150 1.00 0.00 C ATOM 428 O LYS A 70 5.094 3.984 4.112 1.00 0.00 O ATOM 429 CB LYS A 70 6.633 5.520 1.759 1.00 0.00 C ATOM 430 CG LYS A 70 6.330 6.919 2.261 1.00 0.00 C ATOM 431 CD LYS A 70 6.677 7.951 1.211 1.00 0.00 C ATOM 432 CE LYS A 70 8.145 8.340 1.274 1.00 0.00 C ATOM 433 NZ LYS A 70 8.408 9.630 0.577 1.00 0.00 N ATOM 0 H LYS A 70 4.850 5.497 0.018 1.00 0.00 H new ATOM 0 HA LYS A 70 5.817 3.546 1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.444 5.101 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.992 5.585 0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.274 6.997 2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.897 7.115 3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.447 7.556 0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.059 8.837 1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.455 8.421 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.749 7.553 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.420 9.860 0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.136 9.546 -0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.851 10.386 1.024 1.00 0.00 H new ATOM 447 N GLU A 71 3.691 5.496 3.206 1.00 0.00 N ATOM 448 CA GLU A 71 2.916 5.671 4.428 1.00 0.00 C ATOM 449 C GLU A 71 2.348 4.334 4.892 1.00 0.00 C ATOM 450 O GLU A 71 2.583 3.906 6.022 1.00 0.00 O ATOM 451 CB GLU A 71 1.786 6.679 4.203 1.00 0.00 C ATOM 452 CG GLU A 71 1.829 7.863 5.156 1.00 0.00 C ATOM 453 CD GLU A 71 1.093 9.073 4.614 1.00 0.00 C ATOM 454 OE1 GLU A 71 -0.144 8.996 4.461 1.00 0.00 O ATOM 455 OE2 GLU A 71 1.754 10.097 4.342 1.00 0.00 O ATOM 0 H GLU A 71 3.372 6.062 2.420 1.00 0.00 H new ATOM 0 HA GLU A 71 3.576 6.057 5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.836 7.046 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.829 6.170 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.390 7.573 6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.867 8.131 5.351 1.00 0.00 H new ATOM 462 N ALA A 72 1.612 3.669 4.004 1.00 0.00 N ATOM 463 CA ALA A 72 1.028 2.371 4.318 1.00 0.00 C ATOM 464 C ALA A 72 2.120 1.376 4.687 1.00 0.00 C ATOM 465 O ALA A 72 1.966 0.581 5.614 1.00 0.00 O ATOM 466 CB ALA A 72 0.215 1.856 3.140 1.00 0.00 C ATOM 0 H ALA A 72 1.407 4.008 3.064 1.00 0.00 H new ATOM 0 HA ALA A 72 0.361 2.487 5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.214 0.886 3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.586 2.560 2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.862 1.752 2.269 1.00 0.00 H new ATOM 472 N CYS A 73 3.230 1.437 3.958 1.00 0.00 N ATOM 473 CA CYS A 73 4.359 0.553 4.210 1.00 0.00 C ATOM 474 C CYS A 73 4.886 0.755 5.626 1.00 0.00 C ATOM 475 O CYS A 73 5.230 -0.205 6.313 1.00 0.00 O ATOM 476 CB CYS A 73 5.474 0.807 3.194 1.00 0.00 C ATOM 477 SG CYS A 73 5.266 -0.083 1.634 1.00 0.00 S ATOM 0 H CYS A 73 3.370 2.091 3.188 1.00 0.00 H new ATOM 0 HA CYS A 73 4.019 -0.477 4.106 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.525 1.876 2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.428 0.522 3.638 1.00 0.00 H new ATOM 0 HG CYS A 73 6.414 -0.174 1.030 1.00 0.00 H new ATOM 483 N ARG A 74 4.941 2.012 6.056 1.00 0.00 N ATOM 484 CA ARG A 74 5.417 2.340 7.394 1.00 0.00 C ATOM 485 C ARG A 74 4.518 1.708 8.449 1.00 0.00 C ATOM 486 O ARG A 74 4.988 1.261 9.496 1.00 0.00 O ATOM 487 CB ARG A 74 5.466 3.857 7.586 1.00 0.00 C ATOM 488 CG ARG A 74 6.658 4.327 8.403 1.00 0.00 C ATOM 489 CD ARG A 74 6.339 5.596 9.175 1.00 0.00 C ATOM 490 NE ARG A 74 5.993 5.319 10.568 1.00 0.00 N ATOM 491 CZ ARG A 74 6.856 4.849 11.466 1.00 0.00 C ATOM 492 NH1 ARG A 74 8.114 4.602 11.123 1.00 0.00 N ATOM 493 NH2 ARG A 74 6.460 4.626 12.712 1.00 0.00 N ATOM 0 H ARG A 74 4.662 2.819 5.497 1.00 0.00 H new ATOM 0 HA ARG A 74 6.424 1.940 7.508 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.493 4.338 6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.549 4.183 8.076 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.956 3.542 9.098 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.506 4.506 7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.198 6.266 9.142 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.511 6.115 8.692 1.00 0.00 H new ATOM 0 HE ARG A 74 5.035 5.496 10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.425 4.772 10.166 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.770 4.242 11.816 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.495 4.815 12.982 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.121 4.266 13.400 1.00 0.00 H new ATOM 507 N ALA A 75 3.220 1.668 8.161 1.00 0.00 N ATOM 508 CA ALA A 75 2.251 1.084 9.079 1.00 0.00 C ATOM 509 C ALA A 75 2.322 -0.438 9.038 1.00 0.00 C ATOM 510 O ALA A 75 2.101 -1.109 10.046 1.00 0.00 O ATOM 511 CB ALA A 75 0.846 1.559 8.739 1.00 0.00 C ATOM 0 H ALA A 75 2.816 2.034 7.299 1.00 0.00 H new ATOM 0 HA ALA A 75 2.494 1.412 10.090 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.133 1.114 9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.800 2.645 8.818 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.597 1.258 7.721 1.00 0.00 H new ATOM 517 N TYR A 76 2.639 -0.974 7.864 1.00 0.00 N ATOM 518 CA TYR A 76 2.747 -2.418 7.684 1.00 0.00 C ATOM 519 C TYR A 76 4.129 -2.919 8.100 1.00 0.00 C ATOM 520 O TYR A 76 4.297 -4.090 8.440 1.00 0.00 O ATOM 521 CB TYR A 76 2.479 -2.792 6.224 1.00 0.00 C ATOM 522 CG TYR A 76 1.025 -3.086 5.918 1.00 0.00 C ATOM 523 CD1 TYR A 76 0.004 -2.560 6.702 1.00 0.00 C ATOM 524 CD2 TYR A 76 0.675 -3.892 4.842 1.00 0.00 C ATOM 525 CE1 TYR A 76 -1.322 -2.831 6.421 1.00 0.00 C ATOM 526 CE2 TYR A 76 -0.648 -4.166 4.555 1.00 0.00 C ATOM 527 CZ TYR A 76 -1.642 -3.634 5.347 1.00 0.00 C ATOM 528 OH TYR A 76 -2.961 -3.904 5.065 1.00 0.00 O ATOM 0 H TYR A 76 2.826 -0.430 7.022 1.00 0.00 H new ATOM 0 HA TYR A 76 2.000 -2.893 8.320 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.816 -1.977 5.584 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.077 -3.667 5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.251 -1.930 7.544 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.451 -4.312 4.219 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.104 -2.416 7.040 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.902 -4.794 3.714 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.033 -4.273 4.160 1.00 0.00 H new ATOM 538 N GLY A 77 5.115 -2.027 8.068 1.00 0.00 N ATOM 539 CA GLY A 77 6.468 -2.401 8.442 1.00 0.00 C ATOM 540 C GLY A 77 7.220 -3.069 7.307 1.00 0.00 C ATOM 541 O GLY A 77 8.166 -3.822 7.539 1.00 0.00 O ATOM 0 H GLY A 77 5.001 -1.052 7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.012 -1.512 8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.432 -3.076 9.297 1.00 0.00 H new ATOM 545 N LEU A 78 6.797 -2.796 6.076 1.00 0.00 N ATOM 546 CA LEU A 78 7.436 -3.379 4.901 1.00 0.00 C ATOM 547 C LEU A 78 8.692 -2.604 4.516 1.00 0.00 C ATOM 548 O LEU A 78 8.959 -1.527 5.049 1.00 0.00 O ATOM 549 CB LEU A 78 6.457 -3.406 3.727 1.00 0.00 C ATOM 550 CG LEU A 78 5.050 -3.899 4.071 1.00 0.00 C ATOM 551 CD1 LEU A 78 4.005 -3.136 3.272 1.00 0.00 C ATOM 552 CD2 LEU A 78 4.933 -5.394 3.814 1.00 0.00 C ATOM 0 H LEU A 78 6.015 -2.175 5.867 1.00 0.00 H new ATOM 0 HA LEU A 78 7.728 -4.400 5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.382 -2.401 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.868 -4.044 2.945 1.00 0.00 H new ATOM 0 HG LEU A 78 4.871 -3.716 5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.011 -3.501 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.073 -2.073 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.181 -3.286 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.926 -5.728 4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.133 -5.599 2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.656 -5.927 4.432 1.00 0.00 H new ATOM 564 N LYS A 79 9.458 -3.162 3.583 1.00 0.00 N ATOM 565 CA LYS A 79 10.685 -2.531 3.118 1.00 0.00 C ATOM 566 C LYS A 79 10.537 -2.059 1.676 1.00 0.00 C ATOM 567 O LYS A 79 10.972 -2.734 0.743 1.00 0.00 O ATOM 568 CB LYS A 79 11.860 -3.505 3.230 1.00 0.00 C ATOM 569 CG LYS A 79 13.211 -2.818 3.338 1.00 0.00 C ATOM 570 CD LYS A 79 13.785 -2.500 1.967 1.00 0.00 C ATOM 571 CE LYS A 79 14.967 -1.549 2.065 1.00 0.00 C ATOM 572 NZ LYS A 79 15.300 -0.940 0.748 1.00 0.00 N ATOM 0 H LYS A 79 9.248 -4.053 3.134 1.00 0.00 H new ATOM 0 HA LYS A 79 10.881 -1.664 3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.713 -4.139 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.863 -4.159 2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.107 -1.898 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.904 -3.459 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.099 -3.423 1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.011 -2.056 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.740 -0.761 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.835 -2.087 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.111 -0.298 0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.541 -1.690 0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.481 -0.405 0.396 1.00 0.00 H new ATOM 586 N SER A 80 9.917 -0.899 1.501 1.00 0.00 N ATOM 587 CA SER A 80 9.708 -0.337 0.171 1.00 0.00 C ATOM 588 C SER A 80 9.452 1.166 0.244 1.00 0.00 C ATOM 589 O SER A 80 9.598 1.780 1.301 1.00 0.00 O ATOM 590 CB SER A 80 8.532 -1.034 -0.517 1.00 0.00 C ATOM 591 OG SER A 80 8.984 -1.926 -1.521 1.00 0.00 O ATOM 0 H SER A 80 9.550 -0.328 2.263 1.00 0.00 H new ATOM 0 HA SER A 80 10.614 -0.502 -0.412 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.946 -1.580 0.222 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.872 -0.288 -0.959 1.00 0.00 H new ATOM 0 HG SER A 80 9.739 -2.449 -1.179 1.00 0.00 H new ATOM 597 N GLY A 81 9.070 1.752 -0.887 1.00 0.00 N ATOM 598 CA GLY A 81 8.802 3.178 -0.930 1.00 0.00 C ATOM 599 C GLY A 81 9.853 3.947 -1.707 1.00 0.00 C ATOM 600 O GLY A 81 10.363 4.962 -1.234 1.00 0.00 O ATOM 0 H GLY A 81 8.941 1.265 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.825 3.347 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.752 3.565 0.088 1.00 0.00 H new ATOM 604 N LEU A 82 10.178 3.464 -2.904 1.00 0.00 N ATOM 605 CA LEU A 82 11.176 4.119 -3.744 1.00 0.00 C ATOM 606 C LEU A 82 11.012 3.735 -5.216 1.00 0.00 C ATOM 607 O LEU A 82 11.940 3.887 -6.010 1.00 0.00 O ATOM 608 CB LEU A 82 12.585 3.759 -3.267 1.00 0.00 C ATOM 609 CG LEU A 82 13.198 4.740 -2.262 1.00 0.00 C ATOM 610 CD1 LEU A 82 13.721 4.000 -1.040 1.00 0.00 C ATOM 611 CD2 LEU A 82 14.311 5.548 -2.914 1.00 0.00 C ATOM 0 H LEU A 82 9.766 2.625 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 82 11.027 5.195 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.557 2.768 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.241 3.694 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 82 12.418 5.429 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.152 4.715 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.901 3.468 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.485 3.286 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.734 6.239 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.090 4.874 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.907 6.111 -3.755 1.00 0.00 H new ATOM 623 N LYS A 83 9.832 3.235 -5.575 1.00 0.00 N ATOM 624 CA LYS A 83 9.562 2.832 -6.953 1.00 0.00 C ATOM 625 C LYS A 83 8.060 2.780 -7.249 1.00 0.00 C ATOM 626 O LYS A 83 7.651 2.340 -8.323 1.00 0.00 O ATOM 627 CB LYS A 83 10.180 1.465 -7.223 1.00 0.00 C ATOM 628 CG LYS A 83 10.859 1.358 -8.579 1.00 0.00 C ATOM 629 CD LYS A 83 12.125 0.520 -8.504 1.00 0.00 C ATOM 630 CE LYS A 83 13.356 1.390 -8.305 1.00 0.00 C ATOM 631 NZ LYS A 83 13.675 2.187 -9.522 1.00 0.00 N ATOM 0 H LYS A 83 9.050 3.100 -4.934 1.00 0.00 H new ATOM 0 HA LYS A 83 10.008 3.581 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.909 1.245 -6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.402 0.705 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.170 0.915 -9.298 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.103 2.355 -8.945 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.044 -0.191 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.233 -0.062 -9.420 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.193 2.063 -7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.208 0.760 -8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.677 2.465 -9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.491 1.614 -10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.080 3.039 -9.545 1.00 0.00 H new ATOM 645 N LYS A 84 7.246 3.223 -6.295 1.00 0.00 N ATOM 646 CA LYS A 84 5.794 3.221 -6.454 1.00 0.00 C ATOM 647 C LYS A 84 5.248 1.794 -6.456 1.00 0.00 C ATOM 648 O LYS A 84 4.783 1.300 -5.430 1.00 0.00 O ATOM 649 CB LYS A 84 5.387 3.953 -7.739 1.00 0.00 C ATOM 650 CG LYS A 84 3.882 4.072 -7.918 1.00 0.00 C ATOM 651 CD LYS A 84 3.529 4.975 -9.090 1.00 0.00 C ATOM 652 CE LYS A 84 3.009 4.176 -10.274 1.00 0.00 C ATOM 653 NZ LYS A 84 1.729 3.484 -9.957 1.00 0.00 N ATOM 0 H LYS A 84 7.569 3.590 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 84 5.362 3.751 -5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.824 4.951 -7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.806 3.426 -8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.454 3.082 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.436 4.468 -7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.775 5.698 -8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.410 5.542 -9.391 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.861 4.842 -11.124 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.756 3.440 -10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.175 3.362 -10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.932 2.552 -9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.185 4.054 -9.278 1.00 0.00 H new ATOM 667 N GLN A 85 5.309 1.133 -7.610 1.00 0.00 N ATOM 668 CA GLN A 85 4.822 -0.238 -7.736 1.00 0.00 C ATOM 669 C GLN A 85 5.368 -1.123 -6.621 1.00 0.00 C ATOM 670 O GLN A 85 4.632 -1.898 -6.012 1.00 0.00 O ATOM 671 CB GLN A 85 5.210 -0.814 -9.095 1.00 0.00 C ATOM 672 CG GLN A 85 4.507 -2.120 -9.427 1.00 0.00 C ATOM 673 CD GLN A 85 5.064 -2.781 -10.672 1.00 0.00 C ATOM 674 OE1 GLN A 85 5.137 -2.166 -11.736 1.00 0.00 O ATOM 675 NE2 GLN A 85 5.461 -4.042 -10.545 1.00 0.00 N ATOM 0 H GLN A 85 5.691 1.525 -8.471 1.00 0.00 H new ATOM 0 HA GLN A 85 3.735 -0.216 -7.652 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.982 -0.081 -9.869 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.288 -0.976 -9.117 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.602 -2.804 -8.584 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.443 -1.930 -9.566 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.382 -4.513 -9.644 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.845 -4.539 -11.349 1.00 0.00 H new ATOM 684 N GLU A 86 6.664 -1.004 -6.358 1.00 0.00 N ATOM 685 CA GLU A 86 7.310 -1.796 -5.312 1.00 0.00 C ATOM 686 C GLU A 86 6.495 -1.764 -4.024 1.00 0.00 C ATOM 687 O GLU A 86 6.362 -2.777 -3.337 1.00 0.00 O ATOM 688 CB GLU A 86 8.726 -1.281 -5.050 1.00 0.00 C ATOM 689 CG GLU A 86 9.768 -2.382 -4.953 1.00 0.00 C ATOM 690 CD GLU A 86 9.399 -3.447 -3.938 1.00 0.00 C ATOM 691 OE1 GLU A 86 8.367 -4.122 -4.134 1.00 0.00 O ATOM 692 OE2 GLU A 86 10.143 -3.607 -2.948 1.00 0.00 O ATOM 0 H GLU A 86 7.290 -0.368 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 86 7.368 -2.828 -5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.008 -0.596 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.729 -0.708 -4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.893 -2.846 -5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.729 -1.945 -4.682 1.00 0.00 H new ATOM 699 N LEU A 87 5.940 -0.599 -3.709 1.00 0.00 N ATOM 700 CA LEU A 87 5.126 -0.448 -2.512 1.00 0.00 C ATOM 701 C LEU A 87 3.901 -1.344 -2.608 1.00 0.00 C ATOM 702 O LEU A 87 3.543 -2.031 -1.652 1.00 0.00 O ATOM 703 CB LEU A 87 4.707 1.015 -2.334 1.00 0.00 C ATOM 704 CG LEU A 87 5.846 1.973 -1.966 1.00 0.00 C ATOM 705 CD1 LEU A 87 5.803 3.227 -2.830 1.00 0.00 C ATOM 706 CD2 LEU A 87 5.782 2.334 -0.488 1.00 0.00 C ATOM 0 H LEU A 87 6.039 0.251 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 87 5.713 -0.744 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.246 1.361 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.943 1.067 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 87 6.792 1.466 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.621 3.890 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.904 2.950 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.853 3.740 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.598 3.015 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.829 2.818 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.873 1.429 0.112 1.00 0.00 H new ATOM 718 N LEU A 88 3.274 -1.348 -3.782 1.00 0.00 N ATOM 719 CA LEU A 88 2.101 -2.182 -4.019 1.00 0.00 C ATOM 720 C LEU A 88 2.397 -3.625 -3.633 1.00 0.00 C ATOM 721 O LEU A 88 1.671 -4.231 -2.846 1.00 0.00 O ATOM 722 CB LEU A 88 1.678 -2.119 -5.491 1.00 0.00 C ATOM 723 CG LEU A 88 1.002 -0.819 -5.944 1.00 0.00 C ATOM 724 CD1 LEU A 88 1.622 0.395 -5.264 1.00 0.00 C ATOM 725 CD2 LEU A 88 1.095 -0.684 -7.457 1.00 0.00 C ATOM 0 H LEU A 88 3.559 -0.783 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 88 1.284 -1.804 -3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.561 -2.280 -6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.997 -2.947 -5.688 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.047 -0.863 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.120 1.300 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.509 0.304 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.681 0.451 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.612 0.242 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.143 -0.667 -7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.596 -1.531 -7.929 1.00 0.00 H new ATOM 737 N GLU A 89 3.478 -4.167 -4.193 1.00 0.00 N ATOM 738 CA GLU A 89 3.881 -5.538 -3.908 1.00 0.00 C ATOM 739 C GLU A 89 3.942 -5.783 -2.406 1.00 0.00 C ATOM 740 O GLU A 89 3.329 -6.720 -1.896 1.00 0.00 O ATOM 741 CB GLU A 89 5.239 -5.840 -4.545 1.00 0.00 C ATOM 742 CG GLU A 89 5.488 -7.322 -4.772 1.00 0.00 C ATOM 743 CD GLU A 89 6.936 -7.712 -4.545 1.00 0.00 C ATOM 744 OE1 GLU A 89 7.514 -7.280 -3.525 1.00 0.00 O ATOM 745 OE2 GLU A 89 7.491 -8.450 -5.386 1.00 0.00 O ATOM 0 H GLU A 89 4.088 -3.675 -4.846 1.00 0.00 H new ATOM 0 HA GLU A 89 3.134 -6.206 -4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.307 -5.318 -5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.027 -5.441 -3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.851 -7.900 -4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.201 -7.583 -5.791 1.00 0.00 H new ATOM 752 N ALA A 90 4.678 -4.928 -1.698 1.00 0.00 N ATOM 753 CA ALA A 90 4.804 -5.054 -0.252 1.00 0.00 C ATOM 754 C ALA A 90 3.429 -5.124 0.399 1.00 0.00 C ATOM 755 O ALA A 90 3.187 -5.945 1.283 1.00 0.00 O ATOM 756 CB ALA A 90 5.607 -3.893 0.314 1.00 0.00 C ATOM 0 H ALA A 90 5.193 -4.145 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 90 5.335 -5.980 -0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.692 -4.002 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.603 -3.889 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.103 -2.955 0.083 1.00 0.00 H new ATOM 762 N LEU A 91 2.528 -4.261 -0.057 1.00 0.00 N ATOM 763 CA LEU A 91 1.170 -4.228 0.466 1.00 0.00 C ATOM 764 C LEU A 91 0.434 -5.507 0.110 1.00 0.00 C ATOM 765 O LEU A 91 -0.092 -6.201 0.980 1.00 0.00 O ATOM 766 CB LEU A 91 0.416 -3.027 -0.099 1.00 0.00 C ATOM 767 CG LEU A 91 0.661 -1.704 0.634 1.00 0.00 C ATOM 768 CD1 LEU A 91 0.980 -0.591 -0.355 1.00 0.00 C ATOM 769 CD2 LEU A 91 -0.544 -1.336 1.487 1.00 0.00 C ATOM 0 H LEU A 91 2.715 -3.575 -0.788 1.00 0.00 H new ATOM 0 HA LEU A 91 1.222 -4.140 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.694 -2.902 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.652 -3.245 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 91 1.521 -1.831 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.150 0.339 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.875 -0.851 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.143 -0.463 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.352 -0.394 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.422 -1.230 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.722 -2.120 2.223 1.00 0.00 H new ATOM 781 N THR A 92 0.405 -5.815 -1.181 1.00 0.00 N ATOM 782 CA THR A 92 -0.260 -7.012 -1.667 1.00 0.00 C ATOM 783 C THR A 92 0.204 -8.236 -0.878 1.00 0.00 C ATOM 784 O THR A 92 -0.600 -8.915 -0.242 1.00 0.00 O ATOM 785 CB THR A 92 0.016 -7.180 -3.167 1.00 0.00 C ATOM 786 OG1 THR A 92 -1.032 -6.612 -3.931 1.00 0.00 O ATOM 787 CG2 THR A 92 0.175 -8.618 -3.612 1.00 0.00 C ATOM 0 H THR A 92 0.837 -5.248 -1.911 1.00 0.00 H new ATOM 0 HA THR A 92 -1.336 -6.913 -1.522 1.00 0.00 H new ATOM 0 HB THR A 92 0.964 -6.669 -3.334 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.840 -6.726 -4.885 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.367 -8.648 -4.684 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.011 -9.073 -3.081 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.739 -9.170 -3.392 1.00 0.00 H new ATOM 795 N LYS A 93 1.507 -8.503 -0.916 1.00 0.00 N ATOM 796 CA LYS A 93 2.077 -9.635 -0.193 1.00 0.00 C ATOM 797 C LYS A 93 1.582 -9.674 1.252 1.00 0.00 C ATOM 798 O LYS A 93 1.456 -10.745 1.846 1.00 0.00 O ATOM 799 CB LYS A 93 3.607 -9.572 -0.224 1.00 0.00 C ATOM 800 CG LYS A 93 4.192 -8.424 0.583 1.00 0.00 C ATOM 801 CD LYS A 93 5.657 -8.663 0.911 1.00 0.00 C ATOM 802 CE LYS A 93 5.821 -9.742 1.970 1.00 0.00 C ATOM 803 NZ LYS A 93 5.882 -9.169 3.343 1.00 0.00 N ATOM 0 H LYS A 93 2.187 -7.951 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 93 1.749 -10.548 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.007 -10.512 0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.936 -9.481 -1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.091 -7.495 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.626 -8.302 1.507 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.191 -8.955 0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.109 -7.735 1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.989 -10.443 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.731 -10.309 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.994 -9.937 4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.691 -8.520 3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.003 -8.649 3.542 1.00 0.00 H new ATOM 817 N HIS A 94 1.313 -8.497 1.815 1.00 0.00 N ATOM 818 CA HIS A 94 0.845 -8.399 3.194 1.00 0.00 C ATOM 819 C HIS A 94 -0.614 -8.833 3.328 1.00 0.00 C ATOM 820 O HIS A 94 -1.079 -9.126 4.429 1.00 0.00 O ATOM 821 CB HIS A 94 1.009 -6.968 3.707 1.00 0.00 C ATOM 822 CG HIS A 94 0.899 -6.853 5.195 1.00 0.00 C ATOM 823 ND1 HIS A 94 -0.269 -7.099 5.886 1.00 0.00 N ATOM 824 CD2 HIS A 94 1.822 -6.516 6.128 1.00 0.00 C ATOM 825 CE1 HIS A 94 -0.061 -6.918 7.178 1.00 0.00 C ATOM 826 NE2 HIS A 94 1.199 -6.565 7.351 1.00 0.00 N ATOM 0 H HIS A 94 1.411 -7.601 1.338 1.00 0.00 H new ATOM 0 HA HIS A 94 1.453 -9.074 3.796 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.980 -6.586 3.391 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.252 -6.335 3.244 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -1.155 -7.377 5.465 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.854 -6.257 5.944 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -0.797 -7.038 7.960 1.00 0.00 H new ATOM 835 N PHE A 95 -1.335 -8.870 2.211 1.00 0.00 N ATOM 836 CA PHE A 95 -2.738 -9.267 2.230 1.00 0.00 C ATOM 837 C PHE A 95 -3.113 -10.000 0.944 1.00 0.00 C ATOM 838 O PHE A 95 -4.212 -9.829 0.415 1.00 0.00 O ATOM 839 CB PHE A 95 -3.632 -8.039 2.420 1.00 0.00 C ATOM 840 CG PHE A 95 -4.464 -8.106 3.668 1.00 0.00 C ATOM 841 CD1 PHE A 95 -5.228 -9.227 3.948 1.00 0.00 C ATOM 842 CD2 PHE A 95 -4.477 -7.050 4.565 1.00 0.00 C ATOM 843 CE1 PHE A 95 -5.991 -9.293 5.098 1.00 0.00 C ATOM 844 CE2 PHE A 95 -5.237 -7.110 5.717 1.00 0.00 C ATOM 845 CZ PHE A 95 -5.996 -8.233 5.984 1.00 0.00 C ATOM 0 H PHE A 95 -0.973 -8.632 1.288 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.890 -9.948 3.067 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.009 -7.145 2.453 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.290 -7.938 1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.227 -10.059 3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.886 -6.169 4.361 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.583 -10.172 5.304 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.238 -6.280 6.408 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.592 -8.282 6.883 1.00 0.00 H new ATOM 855 N GLN A 96 -2.191 -10.819 0.448 1.00 0.00 N ATOM 856 CA GLN A 96 -2.420 -11.582 -0.774 1.00 0.00 C ATOM 857 C GLN A 96 -3.413 -12.714 -0.530 1.00 0.00 C ATOM 858 O GLN A 96 -4.085 -12.752 0.501 1.00 0.00 O ATOM 859 CB GLN A 96 -1.099 -12.147 -1.301 1.00 0.00 C ATOM 860 CG GLN A 96 -0.951 -12.044 -2.810 1.00 0.00 C ATOM 861 CD GLN A 96 0.485 -11.813 -3.240 1.00 0.00 C ATOM 862 OE1 GLN A 96 1.422 -12.094 -2.493 1.00 0.00 O ATOM 863 NE2 GLN A 96 0.664 -11.297 -4.450 1.00 0.00 N ATOM 0 H GLN A 96 -1.277 -10.971 0.874 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.842 -10.910 -1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.272 -11.618 -0.827 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.018 -13.194 -1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.322 -12.959 -3.271 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.572 -11.227 -3.178 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.142 -11.079 -5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.608 -11.118 -4.794 1.00 0.00 H new