USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 458 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 34 LYS NZ :NH3+ -162:sc= 0.316 (180deg=0.0805) USER MOD Set 1.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 18 ASN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.76 K(o=-1.8,f=-0.63) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ -138:sc= -0.372 (180deg=-1.59!) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -76:sc= 0.614 USER MOD Single : A 52 GLN : amide:sc= 0.264 K(o=0.26,f=-2.7!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 168:sc= 1.17 USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0496) USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0752) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 69 TYR OH : rot 180:sc= 0.167 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.563 4.513 0.724 1.00 0.00 N ATOM 67 CA ASP A 8 2.977 4.184 0.867 1.00 0.00 C ATOM 68 C ASP A 8 3.196 2.677 0.779 1.00 0.00 C ATOM 69 O ASP A 8 3.021 1.956 1.762 1.00 0.00 O ATOM 70 CB ASP A 8 3.514 4.713 2.198 1.00 0.00 C ATOM 71 CG ASP A 8 3.523 6.228 2.258 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.428 6.828 2.268 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.625 6.813 2.295 1.00 0.00 O ATOM 0 HA ASP A 8 3.520 4.660 0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.904 4.324 3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.527 4.340 2.352 1.00 0.00 H new ATOM 78 N TYR A 9 3.578 2.208 -0.403 1.00 0.00 N ATOM 79 CA TYR A 9 3.818 0.786 -0.621 1.00 0.00 C ATOM 80 C TYR A 9 4.702 0.208 0.480 1.00 0.00 C ATOM 81 O TYR A 9 4.444 -0.882 0.991 1.00 0.00 O ATOM 82 CB TYR A 9 4.470 0.560 -1.986 1.00 0.00 C ATOM 83 CG TYR A 9 3.613 1.009 -3.148 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.270 0.661 -3.222 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.146 1.783 -4.171 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.484 1.068 -4.283 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.367 2.197 -5.235 1.00 0.00 C ATOM 88 CZ TYR A 9 2.037 1.836 -5.286 1.00 0.00 C ATOM 89 OH TYR A 9 1.257 2.245 -6.343 1.00 0.00 O ATOM 0 H TYR A 9 3.728 2.792 -1.226 1.00 0.00 H new ATOM 0 HA TYR A 9 2.856 0.273 -0.597 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.420 1.094 -2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.696 -0.500 -2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.833 0.062 -2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.188 2.066 -4.134 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.442 0.786 -4.327 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.797 2.799 -6.021 1.00 0.00 H new ATOM 0 HH TYR A 9 1.798 2.779 -6.962 1.00 0.00 H new ATOM 99 N TYR A 10 5.746 0.947 0.840 1.00 0.00 N ATOM 100 CA TYR A 10 6.671 0.508 1.878 1.00 0.00 C ATOM 101 C TYR A 10 5.921 0.135 3.153 1.00 0.00 C ATOM 102 O TYR A 10 6.315 -0.784 3.871 1.00 0.00 O ATOM 103 CB TYR A 10 7.693 1.606 2.177 1.00 0.00 C ATOM 104 CG TYR A 10 8.404 2.122 0.947 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.436 1.399 0.361 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.043 3.334 0.369 1.00 0.00 C ATOM 107 CE1 TYR A 10 10.088 1.868 -0.762 1.00 0.00 C ATOM 108 CE2 TYR A 10 8.689 3.809 -0.756 1.00 0.00 C ATOM 109 CZ TYR A 10 9.712 3.073 -1.317 1.00 0.00 C ATOM 110 OH TYR A 10 10.359 3.542 -2.437 1.00 0.00 O ATOM 0 H TYR A 10 5.973 1.852 0.428 1.00 0.00 H new ATOM 0 HA TYR A 10 7.194 -0.376 1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.188 2.437 2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.432 1.221 2.879 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.733 0.454 0.791 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.244 3.914 0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.889 1.294 -1.204 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.395 4.751 -1.194 1.00 0.00 H new ATOM 0 HH TYR A 10 9.973 4.403 -2.702 1.00 0.00 H new ATOM 120 N GLN A 11 4.838 0.855 3.427 1.00 0.00 N ATOM 121 CA GLN A 11 4.032 0.600 4.616 1.00 0.00 C ATOM 122 C GLN A 11 3.110 -0.596 4.402 1.00 0.00 C ATOM 123 O GLN A 11 2.971 -1.448 5.280 1.00 0.00 O ATOM 124 CB GLN A 11 3.207 1.838 4.973 1.00 0.00 C ATOM 125 CG GLN A 11 3.964 2.852 5.815 1.00 0.00 C ATOM 126 CD GLN A 11 3.046 3.854 6.487 1.00 0.00 C ATOM 127 OE1 GLN A 11 2.149 3.481 7.243 1.00 0.00 O ATOM 128 NE2 GLN A 11 3.267 5.134 6.215 1.00 0.00 N ATOM 0 H GLN A 11 4.498 1.619 2.843 1.00 0.00 H new ATOM 0 HA GLN A 11 4.707 0.372 5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.873 2.319 4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.313 1.525 5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.542 2.328 6.576 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.676 3.384 5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.022 5.398 5.582 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.682 5.854 6.639 1.00 0.00 H new ATOM 137 N ILE A 12 2.483 -0.652 3.232 1.00 0.00 N ATOM 138 CA ILE A 12 1.576 -1.744 2.904 1.00 0.00 C ATOM 139 C ILE A 12 2.269 -3.095 3.043 1.00 0.00 C ATOM 140 O ILE A 12 1.642 -4.093 3.403 1.00 0.00 O ATOM 141 CB ILE A 12 1.025 -1.608 1.472 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.161 -0.351 1.353 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.225 -2.845 1.092 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.181 0.014 -0.075 1.00 0.00 C ATOM 0 H ILE A 12 2.587 0.046 2.496 1.00 0.00 H new ATOM 0 HA ILE A 12 0.748 -1.688 3.610 1.00 0.00 H new ATOM 0 HB ILE A 12 1.864 -1.517 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.762 -0.500 1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.684 0.485 1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.158 -2.733 0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.868 -3.724 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.609 -2.965 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.795 0.915 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.737 0.196 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.732 -0.805 -0.538 1.00 0.00 H new ATOM 156 N LEU A 13 3.566 -3.121 2.758 1.00 0.00 N ATOM 157 CA LEU A 13 4.346 -4.350 2.853 1.00 0.00 C ATOM 158 C LEU A 13 5.001 -4.474 4.225 1.00 0.00 C ATOM 159 O LEU A 13 5.241 -5.578 4.712 1.00 0.00 O ATOM 160 CB LEU A 13 5.415 -4.385 1.760 1.00 0.00 C ATOM 161 CG LEU A 13 4.930 -4.754 0.358 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.951 -4.336 -0.688 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.650 -6.247 0.267 1.00 0.00 C ATOM 0 H LEU A 13 4.100 -2.305 2.459 1.00 0.00 H new ATOM 0 HA LEU A 13 3.668 -5.193 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.889 -3.405 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.185 -5.098 2.056 1.00 0.00 H new ATOM 0 HG LEU A 13 4.001 -4.218 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.588 -4.607 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.102 -3.258 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.897 -4.843 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.306 -6.492 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.563 -6.802 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.881 -6.518 0.990 1.00 0.00 H new ATOM 175 N GLY A 14 5.287 -3.333 4.845 1.00 0.00 N ATOM 176 CA GLY A 14 5.909 -3.336 6.156 1.00 0.00 C ATOM 177 C GLY A 14 7.421 -3.254 6.080 1.00 0.00 C ATOM 178 O GLY A 14 8.121 -3.718 6.980 1.00 0.00 O ATOM 0 H GLY A 14 5.099 -2.406 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.531 -2.494 6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.624 -4.243 6.688 1.00 0.00 H new ATOM 182 N VAL A 15 7.927 -2.664 5.001 1.00 0.00 N ATOM 183 CA VAL A 15 9.365 -2.524 4.810 1.00 0.00 C ATOM 184 C VAL A 15 9.788 -1.061 4.873 1.00 0.00 C ATOM 185 O VAL A 15 9.035 -0.155 4.512 1.00 0.00 O ATOM 186 CB VAL A 15 9.814 -3.119 3.462 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.668 -4.634 3.473 1.00 0.00 C ATOM 188 CG2 VAL A 15 9.018 -2.507 2.319 1.00 0.00 C ATOM 0 H VAL A 15 7.362 -2.275 4.246 1.00 0.00 H new ATOM 0 HA VAL A 15 9.846 -3.074 5.619 1.00 0.00 H new ATOM 0 HB VAL A 15 10.867 -2.880 3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.990 -5.038 2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.285 -5.053 4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.625 -4.898 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.348 -2.938 1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.958 -2.715 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.177 -1.429 2.301 1.00 0.00 H new ATOM 198 N PRO A 16 11.022 -0.820 5.340 1.00 0.00 N ATOM 199 CA PRO A 16 11.574 0.532 5.460 1.00 0.00 C ATOM 200 C PRO A 16 11.860 1.164 4.102 1.00 0.00 C ATOM 201 O PRO A 16 12.045 0.463 3.107 1.00 0.00 O ATOM 202 CB PRO A 16 12.877 0.317 6.234 1.00 0.00 C ATOM 203 CG PRO A 16 13.263 -1.092 5.942 1.00 0.00 C ATOM 204 CD PRO A 16 11.974 -1.851 5.788 1.00 0.00 C ATOM 0 HA PRO A 16 10.879 1.213 5.950 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.650 1.014 5.910 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.733 0.475 7.303 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.862 -1.152 5.033 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.866 -1.507 6.750 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.067 -2.656 5.059 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.661 -2.306 6.728 1.00 0.00 H new ATOM 212 N ARG A 17 11.895 2.492 4.068 1.00 0.00 N ATOM 213 CA ARG A 17 12.158 3.218 2.831 1.00 0.00 C ATOM 214 C ARG A 17 13.510 2.823 2.246 1.00 0.00 C ATOM 215 O ARG A 17 13.725 2.913 1.038 1.00 0.00 O ATOM 216 CB ARG A 17 12.120 4.727 3.082 1.00 0.00 C ATOM 217 CG ARG A 17 10.736 5.252 3.428 1.00 0.00 C ATOM 218 CD ARG A 17 10.419 5.060 4.902 1.00 0.00 C ATOM 219 NE ARG A 17 9.493 6.074 5.400 1.00 0.00 N ATOM 220 CZ ARG A 17 9.361 6.382 6.685 1.00 0.00 C ATOM 221 NH1 ARG A 17 10.093 5.758 7.598 1.00 0.00 N ATOM 222 NH2 ARG A 17 8.497 7.316 7.060 1.00 0.00 N ATOM 0 H ARG A 17 11.745 3.087 4.883 1.00 0.00 H new ATOM 0 HA ARG A 17 11.380 2.956 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.805 4.969 3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.484 5.244 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.674 6.311 3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.989 4.737 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.989 4.070 5.054 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.343 5.098 5.479 1.00 0.00 H new ATOM 0 HE ARG A 17 8.916 6.573 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.759 5.040 7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.990 5.996 8.584 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.933 7.799 6.361 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.397 7.551 8.047 1.00 0.00 H new ATOM 236 N ASN A 18 14.419 2.386 3.111 1.00 0.00 N ATOM 237 CA ASN A 18 15.751 1.978 2.680 1.00 0.00 C ATOM 238 C ASN A 18 15.878 0.457 2.672 1.00 0.00 C ATOM 239 O ASN A 18 16.886 -0.094 3.114 1.00 0.00 O ATOM 240 CB ASN A 18 16.815 2.585 3.597 1.00 0.00 C ATOM 241 CG ASN A 18 16.990 4.074 3.372 1.00 0.00 C ATOM 242 OD1 ASN A 18 16.739 4.882 4.266 1.00 0.00 O ATOM 243 ND2 ASN A 18 17.423 4.444 2.172 1.00 0.00 N ATOM 0 H ASN A 18 14.258 2.305 4.115 1.00 0.00 H new ATOM 0 HA ASN A 18 15.905 2.343 1.665 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.539 2.407 4.636 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.766 2.081 3.429 1.00 0.00 H new ATOM 0 HD21 ASN A 18 17.560 5.433 1.962 1.00 0.00 H new ATOM 0 HD22 ASN A 18 17.619 3.739 1.461 1.00 0.00 H new ATOM 250 N ALA A 19 14.850 -0.215 2.166 1.00 0.00 N ATOM 251 CA ALA A 19 14.847 -1.670 2.097 1.00 0.00 C ATOM 252 C ALA A 19 15.400 -2.158 0.762 1.00 0.00 C ATOM 253 O ALA A 19 15.413 -1.420 -0.222 1.00 0.00 O ATOM 254 CB ALA A 19 13.440 -2.207 2.315 1.00 0.00 C ATOM 0 H ALA A 19 14.007 0.226 1.797 1.00 0.00 H new ATOM 0 HA ALA A 19 15.495 -2.047 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.454 -3.296 2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.080 -1.897 3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.777 -1.813 1.545 1.00 0.00 H new ATOM 260 N SER A 20 15.857 -3.406 0.737 1.00 0.00 N ATOM 261 CA SER A 20 16.416 -3.991 -0.476 1.00 0.00 C ATOM 262 C SER A 20 15.419 -4.942 -1.130 1.00 0.00 C ATOM 263 O SER A 20 14.487 -5.421 -0.483 1.00 0.00 O ATOM 264 CB SER A 20 17.715 -4.735 -0.158 1.00 0.00 C ATOM 265 OG SER A 20 18.635 -3.891 0.513 1.00 0.00 O ATOM 0 H SER A 20 15.851 -4.031 1.543 1.00 0.00 H new ATOM 0 HA SER A 20 16.631 -3.182 -1.174 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.497 -5.605 0.461 1.00 0.00 H new ATOM 0 HB3 SER A 20 18.162 -5.104 -1.081 1.00 0.00 H new ATOM 0 HG SER A 20 19.456 -4.390 0.706 1.00 0.00 H new ATOM 271 N GLN A 21 15.622 -5.211 -2.416 1.00 0.00 N ATOM 272 CA GLN A 21 14.740 -6.104 -3.158 1.00 0.00 C ATOM 273 C GLN A 21 14.383 -7.331 -2.326 1.00 0.00 C ATOM 274 O GLN A 21 13.213 -7.697 -2.209 1.00 0.00 O ATOM 275 CB GLN A 21 15.402 -6.536 -4.468 1.00 0.00 C ATOM 276 CG GLN A 21 15.193 -5.553 -5.608 1.00 0.00 C ATOM 277 CD GLN A 21 15.143 -4.113 -5.136 1.00 0.00 C ATOM 278 OE1 GLN A 21 16.174 -3.451 -5.014 1.00 0.00 O ATOM 279 NE2 GLN A 21 13.940 -3.620 -4.866 1.00 0.00 N ATOM 0 H GLN A 21 16.389 -4.823 -2.965 1.00 0.00 H new ATOM 0 HA GLN A 21 13.822 -5.562 -3.385 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.472 -6.663 -4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.008 -7.509 -4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.000 -5.666 -6.332 1.00 0.00 H new ATOM 0 HG3 GLN A 21 14.264 -5.794 -6.125 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.112 -4.204 -4.981 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.844 -2.657 -4.544 1.00 0.00 H new ATOM 288 N LYS A 22 15.399 -7.964 -1.748 1.00 0.00 N ATOM 289 CA LYS A 22 15.194 -9.151 -0.926 1.00 0.00 C ATOM 290 C LYS A 22 14.112 -8.906 0.121 1.00 0.00 C ATOM 291 O LYS A 22 13.120 -9.631 0.182 1.00 0.00 O ATOM 292 CB LYS A 22 16.501 -9.553 -0.240 1.00 0.00 C ATOM 293 CG LYS A 22 17.544 -10.106 -1.195 1.00 0.00 C ATOM 294 CD LYS A 22 18.943 -10.013 -0.609 1.00 0.00 C ATOM 295 CE LYS A 22 19.998 -9.909 -1.699 1.00 0.00 C ATOM 296 NZ LYS A 22 20.433 -11.249 -2.180 1.00 0.00 N ATOM 0 H LYS A 22 16.373 -7.674 -1.834 1.00 0.00 H new ATOM 0 HA LYS A 22 14.868 -9.962 -1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.914 -8.685 0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.286 -10.301 0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.313 -11.146 -1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.505 -9.556 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 22 19.007 -9.144 0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 22 19.140 -10.891 0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 22 19.600 -9.334 -2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 22 20.861 -9.362 -1.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 21.152 -11.135 -2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 20.836 -11.788 -1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.615 -11.761 -2.567 1.00 0.00 H new ATOM 310 N GLU A 23 14.310 -7.879 0.942 1.00 0.00 N ATOM 311 CA GLU A 23 13.350 -7.540 1.986 1.00 0.00 C ATOM 312 C GLU A 23 11.944 -7.408 1.409 1.00 0.00 C ATOM 313 O GLU A 23 10.984 -7.955 1.954 1.00 0.00 O ATOM 314 CB GLU A 23 13.754 -6.236 2.677 1.00 0.00 C ATOM 315 CG GLU A 23 14.706 -6.436 3.845 1.00 0.00 C ATOM 316 CD GLU A 23 16.160 -6.466 3.414 1.00 0.00 C ATOM 317 OE1 GLU A 23 16.665 -5.418 2.959 1.00 0.00 O ATOM 318 OE2 GLU A 23 16.792 -7.536 3.531 1.00 0.00 O ATOM 0 H GLU A 23 15.126 -7.268 0.904 1.00 0.00 H new ATOM 0 HA GLU A 23 13.349 -8.346 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.223 -5.577 1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.857 -5.730 3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.562 -5.633 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.462 -7.369 4.352 1.00 0.00 H new ATOM 325 N ILE A 24 11.829 -6.677 0.305 1.00 0.00 N ATOM 326 CA ILE A 24 10.541 -6.474 -0.346 1.00 0.00 C ATOM 327 C ILE A 24 9.898 -7.805 -0.720 1.00 0.00 C ATOM 328 O ILE A 24 8.713 -8.026 -0.470 1.00 0.00 O ATOM 329 CB ILE A 24 10.681 -5.610 -1.613 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.253 -4.235 -1.259 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.335 -5.466 -2.307 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.035 -3.598 -2.385 1.00 0.00 C ATOM 0 H ILE A 24 12.613 -6.216 -0.157 1.00 0.00 H new ATOM 0 HA ILE A 24 9.904 -5.954 0.370 1.00 0.00 H new ATOM 0 HB ILE A 24 11.370 -6.104 -2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.435 -3.572 -0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.901 -4.333 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.450 -4.853 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.963 -6.451 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.625 -4.991 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.410 -2.627 -2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.874 -4.240 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.386 -3.467 -3.251 1.00 0.00 H new ATOM 344 N LYS A 25 10.687 -8.689 -1.319 1.00 0.00 N ATOM 345 CA LYS A 25 10.197 -10.001 -1.726 1.00 0.00 C ATOM 346 C LYS A 25 9.655 -10.774 -0.529 1.00 0.00 C ATOM 347 O LYS A 25 8.462 -11.072 -0.457 1.00 0.00 O ATOM 348 CB LYS A 25 11.316 -10.800 -2.399 1.00 0.00 C ATOM 349 CG LYS A 25 10.925 -12.229 -2.736 1.00 0.00 C ATOM 350 CD LYS A 25 12.145 -13.124 -2.870 1.00 0.00 C ATOM 351 CE LYS A 25 11.794 -14.584 -2.632 1.00 0.00 C ATOM 352 NZ LYS A 25 12.999 -15.400 -2.314 1.00 0.00 N ATOM 0 H LYS A 25 11.670 -8.521 -1.534 1.00 0.00 H new ATOM 0 HA LYS A 25 9.385 -9.853 -2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.616 -10.289 -3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.186 -10.815 -1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.269 -12.621 -1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.359 -12.242 -3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.574 -13.009 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.907 -12.811 -2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.080 -14.657 -1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.305 -14.989 -3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.717 -16.389 -2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.670 -15.352 -3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.452 -15.030 -1.454 1.00 0.00 H new ATOM 366 N LYS A 26 10.537 -11.096 0.411 1.00 0.00 N ATOM 367 CA LYS A 26 10.147 -11.832 1.608 1.00 0.00 C ATOM 368 C LYS A 26 8.882 -11.241 2.222 1.00 0.00 C ATOM 369 O LYS A 26 7.932 -11.963 2.523 1.00 0.00 O ATOM 370 CB LYS A 26 11.281 -11.815 2.635 1.00 0.00 C ATOM 371 CG LYS A 26 10.896 -12.413 3.977 1.00 0.00 C ATOM 372 CD LYS A 26 11.745 -11.849 5.103 1.00 0.00 C ATOM 373 CE LYS A 26 11.151 -10.563 5.659 1.00 0.00 C ATOM 374 NZ LYS A 26 10.200 -10.829 6.773 1.00 0.00 N ATOM 0 H LYS A 26 11.528 -10.859 0.367 1.00 0.00 H new ATOM 0 HA LYS A 26 9.942 -12.863 1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.132 -12.364 2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.608 -10.786 2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.844 -12.212 4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.012 -13.496 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.830 -12.587 5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.754 -11.657 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.953 -9.915 6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.636 -10.026 4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.817 -9.928 7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.421 -11.426 6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.697 -11.319 7.544 1.00 0.00 H new ATOM 388 N ALA A 27 8.877 -9.925 2.404 1.00 0.00 N ATOM 389 CA ALA A 27 7.728 -9.237 2.979 1.00 0.00 C ATOM 390 C ALA A 27 6.506 -9.359 2.074 1.00 0.00 C ATOM 391 O ALA A 27 5.375 -9.458 2.551 1.00 0.00 O ATOM 392 CB ALA A 27 8.059 -7.773 3.227 1.00 0.00 C ATOM 0 H ALA A 27 9.656 -9.313 2.161 1.00 0.00 H new ATOM 0 HA ALA A 27 7.491 -9.711 3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.192 -7.272 3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.899 -7.702 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.324 -7.295 2.284 1.00 0.00 H new ATOM 398 N TYR A 28 6.741 -9.350 0.767 1.00 0.00 N ATOM 399 CA TYR A 28 5.659 -9.457 -0.205 1.00 0.00 C ATOM 400 C TYR A 28 4.938 -10.795 -0.072 1.00 0.00 C ATOM 401 O TYR A 28 3.731 -10.841 0.168 1.00 0.00 O ATOM 402 CB TYR A 28 6.203 -9.297 -1.625 1.00 0.00 C ATOM 403 CG TYR A 28 5.211 -9.677 -2.701 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.938 -9.121 -2.727 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.546 -10.592 -3.691 1.00 0.00 C ATOM 406 CE1 TYR A 28 3.028 -9.466 -3.707 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.643 -10.942 -4.676 1.00 0.00 C ATOM 408 CZ TYR A 28 3.385 -10.377 -4.679 1.00 0.00 C ATOM 409 OH TYR A 28 2.482 -10.723 -5.658 1.00 0.00 O ATOM 0 H TYR A 28 7.671 -9.270 0.356 1.00 0.00 H new ATOM 0 HA TYR A 28 4.945 -8.658 -0.005 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.508 -8.261 -1.773 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.097 -9.911 -1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.655 -8.407 -1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.530 -11.038 -3.691 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.042 -9.025 -3.712 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.921 -11.654 -5.439 1.00 0.00 H new ATOM 0 HH TYR A 28 2.891 -11.375 -6.265 1.00 0.00 H new ATOM 419 N TYR A 29 5.686 -11.881 -0.231 1.00 0.00 N ATOM 420 CA TYR A 29 5.119 -13.221 -0.131 1.00 0.00 C ATOM 421 C TYR A 29 4.505 -13.451 1.247 1.00 0.00 C ATOM 422 O TYR A 29 3.503 -14.152 1.381 1.00 0.00 O ATOM 423 CB TYR A 29 6.195 -14.274 -0.405 1.00 0.00 C ATOM 424 CG TYR A 29 6.459 -14.500 -1.876 1.00 0.00 C ATOM 425 CD1 TYR A 29 5.492 -15.068 -2.696 1.00 0.00 C ATOM 426 CD2 TYR A 29 7.677 -14.148 -2.445 1.00 0.00 C ATOM 427 CE1 TYR A 29 5.730 -15.278 -4.041 1.00 0.00 C ATOM 428 CE2 TYR A 29 7.922 -14.352 -3.789 1.00 0.00 C ATOM 429 CZ TYR A 29 6.946 -14.918 -4.583 1.00 0.00 C ATOM 430 OH TYR A 29 7.188 -15.124 -5.922 1.00 0.00 O ATOM 0 H TYR A 29 6.686 -11.860 -0.430 1.00 0.00 H new ATOM 0 HA TYR A 29 4.332 -13.312 -0.879 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.122 -13.968 0.079 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.893 -15.217 0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.538 -15.350 -2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.445 -13.708 -1.826 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.968 -15.722 -4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.873 -14.070 -4.216 1.00 0.00 H new ATOM 0 HH TYR A 29 8.091 -14.814 -6.143 1.00 0.00 H new ATOM 440 N GLN A 30 5.114 -12.855 2.266 1.00 0.00 N ATOM 441 CA GLN A 30 4.628 -12.995 3.634 1.00 0.00 C ATOM 442 C GLN A 30 3.221 -12.423 3.772 1.00 0.00 C ATOM 443 O GLN A 30 2.285 -13.131 4.147 1.00 0.00 O ATOM 444 CB GLN A 30 5.574 -12.292 4.608 1.00 0.00 C ATOM 445 CG GLN A 30 6.824 -13.097 4.929 1.00 0.00 C ATOM 446 CD GLN A 30 6.624 -14.047 6.093 1.00 0.00 C ATOM 447 OE1 GLN A 30 5.561 -14.651 6.241 1.00 0.00 O ATOM 448 NE2 GLN A 30 7.647 -14.185 6.928 1.00 0.00 N ATOM 0 H GLN A 30 5.945 -12.271 2.171 1.00 0.00 H new ATOM 0 HA GLN A 30 4.594 -14.058 3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.869 -11.331 4.186 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.039 -12.082 5.534 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.121 -13.666 4.048 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.642 -12.414 5.159 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.510 -13.665 6.768 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.570 -14.811 7.730 1.00 0.00 H new ATOM 457 N LEU A 31 3.077 -11.138 3.467 1.00 0.00 N ATOM 458 CA LEU A 31 1.783 -10.470 3.558 1.00 0.00 C ATOM 459 C LEU A 31 0.743 -11.178 2.696 1.00 0.00 C ATOM 460 O LEU A 31 -0.291 -11.622 3.193 1.00 0.00 O ATOM 461 CB LEU A 31 1.911 -9.008 3.126 1.00 0.00 C ATOM 462 CG LEU A 31 2.315 -8.018 4.219 1.00 0.00 C ATOM 463 CD1 LEU A 31 1.142 -7.739 5.147 1.00 0.00 C ATOM 464 CD2 LEU A 31 3.505 -8.547 5.005 1.00 0.00 C ATOM 0 H LEU A 31 3.840 -10.538 3.155 1.00 0.00 H new ATOM 0 HA LEU A 31 1.454 -10.508 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.645 -8.950 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.956 -8.688 2.709 1.00 0.00 H new ATOM 0 HG LEU A 31 2.607 -7.081 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.448 -7.032 5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.317 -7.315 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.819 -8.669 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.778 -7.829 5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.241 -9.497 5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.349 -8.694 4.332 1.00 0.00 H new ATOM 476 N ALA A 32 1.026 -11.281 1.401 1.00 0.00 N ATOM 477 CA ALA A 32 0.118 -11.939 0.471 1.00 0.00 C ATOM 478 C ALA A 32 -0.481 -13.199 1.086 1.00 0.00 C ATOM 479 O ALA A 32 -1.696 -13.303 1.256 1.00 0.00 O ATOM 480 CB ALA A 32 0.841 -12.275 -0.825 1.00 0.00 C ATOM 0 H ALA A 32 1.877 -10.917 0.973 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.698 -11.250 0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.150 -12.766 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.215 -11.358 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.677 -12.941 -0.613 1.00 0.00 H new ATOM 486 N LYS A 33 0.379 -14.155 1.419 1.00 0.00 N ATOM 487 CA LYS A 33 -0.064 -15.409 2.017 1.00 0.00 C ATOM 488 C LYS A 33 -1.081 -15.154 3.126 1.00 0.00 C ATOM 489 O LYS A 33 -1.960 -15.979 3.378 1.00 0.00 O ATOM 490 CB LYS A 33 1.132 -16.183 2.576 1.00 0.00 C ATOM 491 CG LYS A 33 1.887 -16.978 1.525 1.00 0.00 C ATOM 492 CD LYS A 33 2.715 -18.087 2.152 1.00 0.00 C ATOM 493 CE LYS A 33 1.897 -19.355 2.339 1.00 0.00 C ATOM 494 NZ LYS A 33 1.138 -19.342 3.620 1.00 0.00 N ATOM 0 H LYS A 33 1.388 -14.085 1.285 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.542 -16.004 1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.818 -15.482 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.783 -16.863 3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.180 -17.408 0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.539 -16.310 0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.578 -18.299 1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.099 -17.755 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.202 -19.465 1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.559 -20.221 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.196 -20.279 4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.545 -18.628 4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.142 -19.109 3.431 1.00 0.00 H new ATOM 508 N LYS A 34 -0.956 -14.007 3.784 1.00 0.00 N ATOM 509 CA LYS A 34 -1.865 -13.641 4.864 1.00 0.00 C ATOM 510 C LYS A 34 -3.216 -13.198 4.311 1.00 0.00 C ATOM 511 O LYS A 34 -4.264 -13.650 4.773 1.00 0.00 O ATOM 512 CB LYS A 34 -1.257 -12.522 5.713 1.00 0.00 C ATOM 513 CG LYS A 34 -1.905 -12.374 7.078 1.00 0.00 C ATOM 514 CD LYS A 34 -1.424 -11.122 7.791 1.00 0.00 C ATOM 515 CE LYS A 34 -2.214 -10.868 9.066 1.00 0.00 C ATOM 516 NZ LYS A 34 -3.603 -10.417 8.777 1.00 0.00 N ATOM 0 H LYS A 34 -0.234 -13.314 3.588 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.019 -14.520 5.490 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.192 -12.715 5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.346 -11.579 5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.988 -12.336 6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.678 -13.250 7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.366 -11.223 8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.519 -10.264 7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.245 -11.780 9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.704 -10.113 9.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.006 -9.969 9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.590 -9.730 7.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.185 -11.236 8.508 1.00 0.00 H new ATOM 530 N TYR A 35 -3.183 -12.314 3.321 1.00 0.00 N ATOM 531 CA TYR A 35 -4.405 -11.810 2.706 1.00 0.00 C ATOM 532 C TYR A 35 -4.665 -12.495 1.368 1.00 0.00 C ATOM 533 O TYR A 35 -5.023 -11.846 0.384 1.00 0.00 O ATOM 534 CB TYR A 35 -4.314 -10.296 2.508 1.00 0.00 C ATOM 535 CG TYR A 35 -4.045 -9.533 3.785 1.00 0.00 C ATOM 536 CD1 TYR A 35 -5.080 -9.203 4.652 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.756 -9.141 4.125 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.839 -8.506 5.820 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.506 -8.444 5.292 1.00 0.00 C ATOM 540 CZ TYR A 35 -3.550 -8.129 6.135 1.00 0.00 C ATOM 541 OH TYR A 35 -3.305 -7.434 7.297 1.00 0.00 O ATOM 0 H TYR A 35 -2.324 -11.931 2.927 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.237 -12.033 3.375 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.522 -10.079 1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.246 -9.939 2.071 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.090 -9.497 4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.936 -9.385 3.466 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.655 -8.258 6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.498 -8.148 5.542 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.346 -7.246 7.370 1.00 0.00 H new ATOM 551 N HIS A 36 -4.481 -13.811 1.339 1.00 0.00 N ATOM 552 CA HIS A 36 -4.696 -14.586 0.122 1.00 0.00 C ATOM 553 C HIS A 36 -6.185 -14.815 -0.120 1.00 0.00 C ATOM 554 O HIS A 36 -6.959 -15.059 0.805 1.00 0.00 O ATOM 555 CB HIS A 36 -3.970 -15.928 0.212 1.00 0.00 C ATOM 556 CG HIS A 36 -3.519 -16.455 -1.115 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.036 -17.598 -1.687 1.00 0.00 N ATOM 558 CD2 HIS A 36 -2.593 -15.988 -1.985 1.00 0.00 C ATOM 559 CE1 HIS A 36 -3.448 -17.812 -2.850 1.00 0.00 C ATOM 560 NE2 HIS A 36 -2.567 -16.849 -3.054 1.00 0.00 N ATOM 0 H HIS A 36 -4.184 -14.363 2.144 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.292 -14.019 -0.717 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.103 -15.820 0.864 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.631 -16.659 0.678 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.987 -15.103 -1.861 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.652 -18.634 -3.520 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.965 -16.760 -3.873 1.00 0.00 H new ATOM 704 N ALA A 46 -10.602 -8.353 1.415 1.00 0.00 N ATOM 705 CA ALA A 46 -9.265 -8.876 1.160 1.00 0.00 C ATOM 706 C ALA A 46 -8.874 -8.693 -0.302 1.00 0.00 C ATOM 707 O ALA A 46 -7.768 -8.247 -0.609 1.00 0.00 O ATOM 708 CB ALA A 46 -9.190 -10.345 1.549 1.00 0.00 C ATOM 0 HA ALA A 46 -8.559 -8.314 1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.186 -10.722 1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.418 -10.453 2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.912 -10.914 0.963 1.00 0.00 H new ATOM 714 N LYS A 47 -9.787 -9.041 -1.202 1.00 0.00 N ATOM 715 CA LYS A 47 -9.538 -8.916 -2.634 1.00 0.00 C ATOM 716 C LYS A 47 -8.932 -7.555 -2.963 1.00 0.00 C ATOM 717 O LYS A 47 -8.117 -7.434 -3.877 1.00 0.00 O ATOM 718 CB LYS A 47 -10.838 -9.109 -3.417 1.00 0.00 C ATOM 719 CG LYS A 47 -10.711 -8.789 -4.896 1.00 0.00 C ATOM 720 CD LYS A 47 -10.268 -10.004 -5.694 1.00 0.00 C ATOM 721 CE LYS A 47 -8.752 -10.086 -5.790 1.00 0.00 C ATOM 722 NZ LYS A 47 -8.229 -9.333 -6.963 1.00 0.00 N ATOM 0 H LYS A 47 -10.707 -9.412 -0.965 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.828 -9.691 -2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.170 -10.141 -3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.612 -8.476 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.669 -8.433 -5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.993 -7.981 -5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.653 -10.909 -5.224 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.695 -9.958 -6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.308 -9.689 -4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.449 -11.130 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.193 -9.413 -6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.632 -9.727 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.496 -8.331 -6.880 1.00 0.00 H new ATOM 736 N GLU A 48 -9.333 -6.535 -2.211 1.00 0.00 N ATOM 737 CA GLU A 48 -8.828 -5.184 -2.424 1.00 0.00 C ATOM 738 C GLU A 48 -7.466 -5.002 -1.760 1.00 0.00 C ATOM 739 O GLU A 48 -6.609 -4.275 -2.263 1.00 0.00 O ATOM 740 CB GLU A 48 -9.816 -4.153 -1.876 1.00 0.00 C ATOM 741 CG GLU A 48 -9.188 -2.800 -1.589 1.00 0.00 C ATOM 742 CD GLU A 48 -8.703 -2.104 -2.846 1.00 0.00 C ATOM 743 OE1 GLU A 48 -9.520 -1.914 -3.772 1.00 0.00 O ATOM 744 OE2 GLU A 48 -7.507 -1.751 -2.905 1.00 0.00 O ATOM 0 H GLU A 48 -10.006 -6.619 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.714 -5.032 -3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.627 -4.023 -2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.260 -4.540 -0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.916 -2.165 -1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.350 -2.930 -0.904 1.00 0.00 H new ATOM 751 N LYS A 49 -7.273 -5.668 -0.626 1.00 0.00 N ATOM 752 CA LYS A 49 -6.016 -5.581 0.108 1.00 0.00 C ATOM 753 C LYS A 49 -4.879 -6.218 -0.684 1.00 0.00 C ATOM 754 O LYS A 49 -3.779 -5.668 -0.761 1.00 0.00 O ATOM 755 CB LYS A 49 -6.150 -6.266 1.470 1.00 0.00 C ATOM 756 CG LYS A 49 -6.612 -5.335 2.577 1.00 0.00 C ATOM 757 CD LYS A 49 -6.771 -6.072 3.896 1.00 0.00 C ATOM 758 CE LYS A 49 -7.570 -5.254 4.899 1.00 0.00 C ATOM 759 NZ LYS A 49 -6.703 -4.322 5.672 1.00 0.00 N ATOM 0 H LYS A 49 -7.971 -6.274 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.783 -4.527 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.856 -7.092 1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.188 -6.696 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.892 -4.525 2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.562 -4.879 2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.270 -7.026 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.788 -6.297 4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.337 -4.685 4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.085 -5.925 5.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.285 -3.783 6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.986 -4.866 6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.231 -3.665 5.019 1.00 0.00 H new ATOM 773 N PHE A 50 -5.150 -7.378 -1.272 1.00 0.00 N ATOM 774 CA PHE A 50 -4.149 -8.089 -2.059 1.00 0.00 C ATOM 775 C PHE A 50 -3.623 -7.211 -3.191 1.00 0.00 C ATOM 776 O PHE A 50 -2.414 -7.043 -3.350 1.00 0.00 O ATOM 777 CB PHE A 50 -4.740 -9.379 -2.631 1.00 0.00 C ATOM 778 CG PHE A 50 -3.703 -10.354 -3.109 1.00 0.00 C ATOM 779 CD1 PHE A 50 -3.069 -11.204 -2.217 1.00 0.00 C ATOM 780 CD2 PHE A 50 -3.362 -10.420 -4.450 1.00 0.00 C ATOM 781 CE1 PHE A 50 -2.113 -12.102 -2.655 1.00 0.00 C ATOM 782 CE2 PHE A 50 -2.407 -11.316 -4.894 1.00 0.00 C ATOM 783 CZ PHE A 50 -1.783 -12.159 -3.995 1.00 0.00 C ATOM 0 H PHE A 50 -6.055 -7.846 -1.219 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.317 -8.340 -1.401 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.353 -9.858 -1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.402 -9.129 -3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.324 -11.165 -1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.848 -9.764 -5.157 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.625 -12.758 -1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.149 -11.357 -5.942 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.038 -12.861 -4.339 1.00 0.00 H new ATOM 793 N SER A 51 -4.541 -6.655 -3.975 1.00 0.00 N ATOM 794 CA SER A 51 -4.171 -5.798 -5.096 1.00 0.00 C ATOM 795 C SER A 51 -3.065 -4.827 -4.695 1.00 0.00 C ATOM 796 O SER A 51 -2.086 -4.653 -5.419 1.00 0.00 O ATOM 797 CB SER A 51 -5.391 -5.022 -5.595 1.00 0.00 C ATOM 798 OG SER A 51 -5.550 -3.807 -4.882 1.00 0.00 O ATOM 0 H SER A 51 -5.546 -6.782 -3.855 1.00 0.00 H new ATOM 0 HA SER A 51 -3.799 -6.433 -5.900 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.282 -4.811 -6.659 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.286 -5.634 -5.482 1.00 0.00 H new ATOM 0 HG SER A 51 -5.914 -3.995 -3.992 1.00 0.00 H new ATOM 804 N GLN A 52 -3.230 -4.197 -3.536 1.00 0.00 N ATOM 805 CA GLN A 52 -2.247 -3.243 -3.039 1.00 0.00 C ATOM 806 C GLN A 52 -0.895 -3.916 -2.825 1.00 0.00 C ATOM 807 O GLN A 52 0.154 -3.311 -3.049 1.00 0.00 O ATOM 808 CB GLN A 52 -2.730 -2.614 -1.731 1.00 0.00 C ATOM 809 CG GLN A 52 -4.191 -2.193 -1.762 1.00 0.00 C ATOM 810 CD GLN A 52 -4.490 -1.057 -0.804 1.00 0.00 C ATOM 811 OE1 GLN A 52 -3.585 -0.494 -0.187 1.00 0.00 O ATOM 812 NE2 GLN A 52 -5.766 -0.712 -0.675 1.00 0.00 N ATOM 0 H GLN A 52 -4.035 -4.330 -2.924 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.128 -2.460 -3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.583 -3.326 -0.919 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.114 -1.743 -1.507 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.456 -1.889 -2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.818 -3.049 -1.512 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.484 -1.205 -1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.028 0.046 -0.045 1.00 0.00 H new ATOM 821 N LEU A 53 -0.927 -5.170 -2.388 1.00 0.00 N ATOM 822 CA LEU A 53 0.296 -5.926 -2.143 1.00 0.00 C ATOM 823 C LEU A 53 1.057 -6.167 -3.442 1.00 0.00 C ATOM 824 O LEU A 53 2.137 -5.615 -3.651 1.00 0.00 O ATOM 825 CB LEU A 53 -0.033 -7.263 -1.476 1.00 0.00 C ATOM 826 CG LEU A 53 -0.598 -7.185 -0.058 1.00 0.00 C ATOM 827 CD1 LEU A 53 -1.070 -8.555 0.405 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.442 -6.625 0.901 1.00 0.00 C ATOM 0 H LEU A 53 -1.786 -5.685 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 53 0.929 -5.340 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.751 -7.792 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.874 -7.867 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.455 -6.512 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.469 -8.480 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.849 -8.918 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.231 -9.251 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.022 -6.577 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.319 -7.272 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.731 -5.624 0.580 1.00 0.00 H new ATOM 840 N ALA A 54 0.486 -6.993 -4.313 1.00 0.00 N ATOM 841 CA ALA A 54 1.109 -7.302 -5.594 1.00 0.00 C ATOM 842 C ALA A 54 1.609 -6.037 -6.282 1.00 0.00 C ATOM 843 O ALA A 54 2.694 -6.022 -6.862 1.00 0.00 O ATOM 844 CB ALA A 54 0.129 -8.042 -6.492 1.00 0.00 C ATOM 0 H ALA A 54 -0.407 -7.460 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 54 1.969 -7.945 -5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.607 -8.267 -7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.175 -8.972 -6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.749 -7.419 -6.664 1.00 0.00 H new ATOM 850 N GLU A 55 0.809 -4.977 -6.213 1.00 0.00 N ATOM 851 CA GLU A 55 1.171 -3.707 -6.832 1.00 0.00 C ATOM 852 C GLU A 55 2.365 -3.076 -6.121 1.00 0.00 C ATOM 853 O GLU A 55 3.254 -2.512 -6.759 1.00 0.00 O ATOM 854 CB GLU A 55 -0.018 -2.744 -6.806 1.00 0.00 C ATOM 855 CG GLU A 55 0.332 -1.332 -7.244 1.00 0.00 C ATOM 856 CD GLU A 55 0.374 -1.183 -8.753 1.00 0.00 C ATOM 857 OE1 GLU A 55 -0.534 -1.712 -9.426 1.00 0.00 O ATOM 858 OE2 GLU A 55 1.315 -0.537 -9.259 1.00 0.00 O ATOM 0 H GLU A 55 -0.092 -4.973 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 55 1.448 -3.903 -7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.803 -3.132 -7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.426 -2.711 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.400 -0.636 -6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.301 -1.056 -6.828 1.00 0.00 H new ATOM 865 N ALA A 56 2.378 -3.176 -4.796 1.00 0.00 N ATOM 866 CA ALA A 56 3.462 -2.617 -3.998 1.00 0.00 C ATOM 867 C ALA A 56 4.790 -3.288 -4.330 1.00 0.00 C ATOM 868 O ALA A 56 5.835 -2.638 -4.358 1.00 0.00 O ATOM 869 CB ALA A 56 3.153 -2.759 -2.515 1.00 0.00 C ATOM 0 H ALA A 56 1.650 -3.639 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 56 3.549 -1.558 -4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.971 -2.337 -1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.230 -2.228 -2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.036 -3.814 -2.267 1.00 0.00 H new ATOM 875 N TYR A 57 4.743 -4.592 -4.579 1.00 0.00 N ATOM 876 CA TYR A 57 5.943 -5.352 -4.906 1.00 0.00 C ATOM 877 C TYR A 57 6.393 -5.071 -6.337 1.00 0.00 C ATOM 878 O TYR A 57 7.575 -4.845 -6.593 1.00 0.00 O ATOM 879 CB TYR A 57 5.689 -6.850 -4.724 1.00 0.00 C ATOM 880 CG TYR A 57 6.795 -7.722 -5.274 1.00 0.00 C ATOM 881 CD1 TYR A 57 6.786 -8.136 -6.600 1.00 0.00 C ATOM 882 CD2 TYR A 57 7.849 -8.133 -4.467 1.00 0.00 C ATOM 883 CE1 TYR A 57 7.793 -8.934 -7.106 1.00 0.00 C ATOM 884 CE2 TYR A 57 8.862 -8.930 -4.965 1.00 0.00 C ATOM 885 CZ TYR A 57 8.829 -9.328 -6.285 1.00 0.00 C ATOM 886 OH TYR A 57 9.835 -10.123 -6.785 1.00 0.00 O ATOM 0 H TYR A 57 3.886 -5.145 -4.561 1.00 0.00 H new ATOM 0 HA TYR A 57 6.736 -5.040 -4.227 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.564 -7.063 -3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.752 -7.113 -5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.977 -7.828 -7.246 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.877 -7.824 -3.432 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.770 -9.248 -8.139 1.00 0.00 H new ATOM 0 HE2 TYR A 57 9.675 -9.239 -4.324 1.00 0.00 H new ATOM 0 HH TYR A 57 10.487 -10.309 -6.078 1.00 0.00 H new ATOM 896 N GLU A 58 5.440 -5.087 -7.264 1.00 0.00 N ATOM 897 CA GLU A 58 5.738 -4.834 -8.669 1.00 0.00 C ATOM 898 C GLU A 58 6.530 -3.540 -8.833 1.00 0.00 C ATOM 899 O GLU A 58 7.623 -3.535 -9.399 1.00 0.00 O ATOM 900 CB GLU A 58 4.445 -4.761 -9.482 1.00 0.00 C ATOM 901 CG GLU A 58 4.673 -4.622 -10.978 1.00 0.00 C ATOM 902 CD GLU A 58 3.392 -4.753 -11.778 1.00 0.00 C ATOM 903 OE1 GLU A 58 2.323 -4.378 -11.252 1.00 0.00 O ATOM 904 OE2 GLU A 58 3.458 -5.231 -12.930 1.00 0.00 O ATOM 0 H GLU A 58 4.456 -5.272 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 58 6.345 -5.660 -9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.857 -5.659 -9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.854 -3.914 -9.133 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.128 -3.653 -11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.381 -5.383 -11.306 1.00 0.00 H new ATOM 911 N VAL A 59 5.969 -2.443 -8.333 1.00 0.00 N ATOM 912 CA VAL A 59 6.621 -1.142 -8.423 1.00 0.00 C ATOM 913 C VAL A 59 7.965 -1.150 -7.704 1.00 0.00 C ATOM 914 O VAL A 59 9.011 -0.931 -8.317 1.00 0.00 O ATOM 915 CB VAL A 59 5.738 -0.030 -7.826 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.553 1.235 -7.600 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.547 0.248 -8.731 1.00 0.00 C ATOM 0 H VAL A 59 5.065 -2.430 -7.862 1.00 0.00 H new ATOM 0 HA VAL A 59 6.781 -0.940 -9.482 1.00 0.00 H new ATOM 0 HB VAL A 59 5.361 -0.368 -6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.913 2.010 -7.178 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.370 1.023 -6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.961 1.580 -8.550 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.934 1.036 -8.294 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.901 0.566 -9.712 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.951 -0.659 -8.837 1.00 0.00 H new ATOM 927 N LEU A 60 7.931 -1.404 -6.401 1.00 0.00 N ATOM 928 CA LEU A 60 9.147 -1.442 -5.596 1.00 0.00 C ATOM 929 C LEU A 60 10.197 -2.342 -6.239 1.00 0.00 C ATOM 930 O LEU A 60 11.230 -1.869 -6.712 1.00 0.00 O ATOM 931 CB LEU A 60 8.833 -1.934 -4.183 1.00 0.00 C ATOM 932 CG LEU A 60 7.922 -1.035 -3.346 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.402 -1.786 -2.130 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.661 0.225 -2.921 1.00 0.00 C ATOM 0 H LEU A 60 7.074 -1.587 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 60 9.547 -0.430 -5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.370 -2.918 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.774 -2.064 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 60 7.069 -0.743 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.756 -1.130 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.835 -2.658 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.242 -2.108 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.997 0.853 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.533 -0.048 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.983 0.774 -3.806 1.00 0.00 H new ATOM 946 N SER A 61 9.925 -3.643 -6.254 1.00 0.00 N ATOM 947 CA SER A 61 10.847 -4.611 -6.838 1.00 0.00 C ATOM 948 C SER A 61 11.517 -4.039 -8.083 1.00 0.00 C ATOM 949 O SER A 61 12.719 -4.209 -8.288 1.00 0.00 O ATOM 950 CB SER A 61 10.107 -5.903 -7.190 1.00 0.00 C ATOM 951 OG SER A 61 9.519 -6.484 -6.039 1.00 0.00 O ATOM 0 H SER A 61 9.074 -4.051 -5.868 1.00 0.00 H new ATOM 0 HA SER A 61 11.619 -4.832 -6.101 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.335 -5.693 -7.930 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.800 -6.611 -7.644 1.00 0.00 H new ATOM 0 HG SER A 61 8.895 -7.189 -6.311 1.00 0.00 H new ATOM 957 N ASP A 62 10.731 -3.361 -8.912 1.00 0.00 N ATOM 958 CA ASP A 62 11.247 -2.763 -10.138 1.00 0.00 C ATOM 959 C ASP A 62 11.996 -1.468 -9.837 1.00 0.00 C ATOM 960 O ASP A 62 11.383 -0.430 -9.591 1.00 0.00 O ATOM 961 CB ASP A 62 10.105 -2.491 -11.118 1.00 0.00 C ATOM 962 CG ASP A 62 10.554 -2.566 -12.565 1.00 0.00 C ATOM 963 OD1 ASP A 62 10.936 -3.668 -13.012 1.00 0.00 O ATOM 964 OD2 ASP A 62 10.522 -1.522 -13.250 1.00 0.00 O ATOM 0 H ASP A 62 9.734 -3.212 -8.757 1.00 0.00 H new ATOM 0 HA ASP A 62 11.944 -3.468 -10.592 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.306 -3.214 -10.950 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.688 -1.503 -10.921 1.00 0.00 H new ATOM 969 N GLU A 63 13.323 -1.539 -9.858 1.00 0.00 N ATOM 970 CA GLU A 63 14.154 -0.372 -9.586 1.00 0.00 C ATOM 971 C GLU A 63 13.620 0.858 -10.315 1.00 0.00 C ATOM 972 O GLU A 63 13.606 1.961 -9.768 1.00 0.00 O ATOM 973 CB GLU A 63 15.601 -0.639 -10.006 1.00 0.00 C ATOM 974 CG GLU A 63 15.747 -1.046 -11.462 1.00 0.00 C ATOM 975 CD GLU A 63 17.187 -1.317 -11.851 1.00 0.00 C ATOM 976 OE1 GLU A 63 18.082 -0.612 -11.338 1.00 0.00 O ATOM 977 OE2 GLU A 63 17.420 -2.232 -12.667 1.00 0.00 O ATOM 0 H GLU A 63 13.845 -2.391 -10.060 1.00 0.00 H new ATOM 0 HA GLU A 63 14.124 -0.179 -8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.194 0.258 -9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.014 -1.425 -9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.150 -1.939 -11.647 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.345 -0.257 -12.098 1.00 0.00 H new ATOM 984 N VAL A 64 13.182 0.660 -11.554 1.00 0.00 N ATOM 985 CA VAL A 64 12.647 1.752 -12.359 1.00 0.00 C ATOM 986 C VAL A 64 11.390 2.337 -11.725 1.00 0.00 C ATOM 987 O VAL A 64 11.356 3.512 -11.357 1.00 0.00 O ATOM 988 CB VAL A 64 12.317 1.286 -13.789 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.814 2.450 -14.628 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.536 0.642 -14.433 1.00 0.00 C ATOM 0 H VAL A 64 13.187 -0.246 -12.022 1.00 0.00 H new ATOM 0 HA VAL A 64 13.420 2.520 -12.404 1.00 0.00 H new ATOM 0 HB VAL A 64 11.525 0.539 -13.735 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.586 2.101 -15.635 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.913 2.863 -14.174 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.582 3.222 -14.677 1.00 0.00 H new ATOM 0 HG21 VAL A 64 13.285 0.318 -15.443 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.350 1.366 -14.475 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.847 -0.220 -13.842 1.00 0.00 H new ATOM 1000 N LYS A 65 10.357 1.511 -11.600 1.00 0.00 N ATOM 1001 CA LYS A 65 9.097 1.944 -11.009 1.00 0.00 C ATOM 1002 C LYS A 65 9.325 2.557 -9.631 1.00 0.00 C ATOM 1003 O LYS A 65 8.649 3.512 -9.246 1.00 0.00 O ATOM 1004 CB LYS A 65 8.128 0.764 -10.900 1.00 0.00 C ATOM 1005 CG LYS A 65 7.800 0.122 -12.236 1.00 0.00 C ATOM 1006 CD LYS A 65 6.633 -0.844 -12.118 1.00 0.00 C ATOM 1007 CE LYS A 65 6.181 -1.341 -13.483 1.00 0.00 C ATOM 1008 NZ LYS A 65 5.453 -0.288 -14.244 1.00 0.00 N ATOM 0 H LYS A 65 10.368 0.536 -11.901 1.00 0.00 H new ATOM 0 HA LYS A 65 8.662 2.704 -11.658 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.559 0.011 -10.240 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.204 1.105 -10.434 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.560 0.897 -12.964 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.676 -0.408 -12.611 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.923 -1.693 -11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.801 -0.351 -11.615 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.049 -1.669 -14.056 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.535 -2.210 -13.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.017 -0.709 -15.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.713 0.126 -13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.120 0.455 -14.533 1.00 0.00 H new ATOM 1022 N ARG A 66 10.282 2.004 -8.893 1.00 0.00 N ATOM 1023 CA ARG A 66 10.599 2.498 -7.558 1.00 0.00 C ATOM 1024 C ARG A 66 11.164 3.913 -7.621 1.00 0.00 C ATOM 1025 O ARG A 66 10.734 4.799 -6.882 1.00 0.00 O ATOM 1026 CB ARG A 66 11.601 1.567 -6.872 1.00 0.00 C ATOM 1027 CG ARG A 66 11.615 1.698 -5.358 1.00 0.00 C ATOM 1028 CD ARG A 66 12.876 1.095 -4.759 1.00 0.00 C ATOM 1029 NE ARG A 66 13.142 1.604 -3.416 1.00 0.00 N ATOM 1030 CZ ARG A 66 14.272 1.380 -2.755 1.00 0.00 C ATOM 1031 NH1 ARG A 66 15.237 0.659 -3.311 1.00 0.00 N ATOM 1032 NH2 ARG A 66 14.440 1.877 -1.537 1.00 0.00 N ATOM 0 H ARG A 66 10.851 1.214 -9.197 1.00 0.00 H new ATOM 0 HA ARG A 66 9.677 2.520 -6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.367 0.536 -7.137 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.600 1.776 -7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.547 2.750 -5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.739 1.202 -4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.777 0.010 -4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.726 1.316 -5.405 1.00 0.00 H new ATOM 0 HE ARG A 66 12.420 2.162 -2.961 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.112 0.276 -4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.104 0.488 -2.802 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.701 2.432 -1.106 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.308 1.704 -1.031 1.00 0.00 H new ATOM 1046 N LYS A 67 12.130 4.120 -8.510 1.00 0.00 N ATOM 1047 CA LYS A 67 12.754 5.428 -8.672 1.00 0.00 C ATOM 1048 C LYS A 67 11.705 6.503 -8.933 1.00 0.00 C ATOM 1049 O LYS A 67 11.704 7.551 -8.288 1.00 0.00 O ATOM 1050 CB LYS A 67 13.764 5.395 -9.821 1.00 0.00 C ATOM 1051 CG LYS A 67 15.078 4.725 -9.458 1.00 0.00 C ATOM 1052 CD LYS A 67 15.990 4.596 -10.666 1.00 0.00 C ATOM 1053 CE LYS A 67 16.556 5.945 -11.084 1.00 0.00 C ATOM 1054 NZ LYS A 67 17.589 6.433 -10.128 1.00 0.00 N ATOM 0 H LYS A 67 12.498 3.398 -9.130 1.00 0.00 H new ATOM 0 HA LYS A 67 13.275 5.672 -7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.321 4.871 -10.668 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.964 6.416 -10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.580 5.303 -8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.881 3.737 -9.042 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.808 3.913 -10.435 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.436 4.160 -11.497 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.992 5.863 -12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.748 6.674 -11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.081 7.253 -10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.132 6.712 -9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.276 5.675 -9.942 1.00 0.00 H new ATOM 1068 N GLN A 68 10.813 6.235 -9.881 1.00 0.00 N ATOM 1069 CA GLN A 68 9.758 7.181 -10.226 1.00 0.00 C ATOM 1070 C GLN A 68 8.731 7.284 -9.104 1.00 0.00 C ATOM 1071 O GLN A 68 8.260 8.374 -8.778 1.00 0.00 O ATOM 1072 CB GLN A 68 9.070 6.759 -11.526 1.00 0.00 C ATOM 1073 CG GLN A 68 10.009 6.702 -12.720 1.00 0.00 C ATOM 1074 CD GLN A 68 10.172 8.048 -13.398 1.00 0.00 C ATOM 1075 OE1 GLN A 68 10.748 8.976 -12.830 1.00 0.00 O ATOM 1076 NE2 GLN A 68 9.666 8.160 -14.621 1.00 0.00 N ATOM 0 H GLN A 68 10.800 5.371 -10.424 1.00 0.00 H new ATOM 0 HA GLN A 68 10.215 8.160 -10.367 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.615 5.779 -11.385 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.262 7.457 -11.743 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.985 6.343 -12.393 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.629 5.979 -13.442 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.196 7.364 -15.053 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.747 9.042 -15.128 1.00 0.00 H new ATOM 1085 N TYR A 69 8.388 6.143 -8.516 1.00 0.00 N ATOM 1086 CA TYR A 69 7.414 6.104 -7.432 1.00 0.00 C ATOM 1087 C TYR A 69 7.888 6.936 -6.244 1.00 0.00 C ATOM 1088 O TYR A 69 7.093 7.602 -5.580 1.00 0.00 O ATOM 1089 CB TYR A 69 7.167 4.660 -6.991 1.00 0.00 C ATOM 1090 CG TYR A 69 6.603 4.542 -5.593 1.00 0.00 C ATOM 1091 CD1 TYR A 69 5.419 5.179 -5.244 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.255 3.792 -4.622 1.00 0.00 C ATOM 1093 CE1 TYR A 69 4.901 5.073 -3.968 1.00 0.00 C ATOM 1094 CE2 TYR A 69 6.743 3.680 -3.343 1.00 0.00 C ATOM 1095 CZ TYR A 69 5.566 4.323 -3.021 1.00 0.00 C ATOM 1096 OH TYR A 69 5.053 4.215 -1.749 1.00 0.00 O ATOM 0 H TYR A 69 8.770 5.233 -8.772 1.00 0.00 H new ATOM 0 HA TYR A 69 6.480 6.529 -7.801 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.479 4.187 -7.692 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.105 4.107 -7.043 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.895 5.767 -5.983 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.177 3.288 -4.871 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.979 5.575 -3.713 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.262 3.092 -2.600 1.00 0.00 H new ATOM 0 HH TYR A 69 5.642 3.651 -1.206 1.00 0.00 H new ATOM 1106 N ASP A 70 9.190 6.893 -5.982 1.00 0.00 N ATOM 1107 CA ASP A 70 9.773 7.644 -4.876 1.00 0.00 C ATOM 1108 C ASP A 70 9.771 9.140 -5.173 1.00 0.00 C ATOM 1109 O ASP A 70 9.500 9.957 -4.294 1.00 0.00 O ATOM 1110 CB ASP A 70 11.200 7.167 -4.604 1.00 0.00 C ATOM 1111 CG ASP A 70 11.700 7.585 -3.235 1.00 0.00 C ATOM 1112 OD1 ASP A 70 10.977 7.350 -2.243 1.00 0.00 O ATOM 1113 OD2 ASP A 70 12.812 8.147 -3.155 1.00 0.00 O ATOM 0 H ASP A 70 9.862 6.346 -6.521 1.00 0.00 H new ATOM 0 HA ASP A 70 9.164 7.468 -3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.238 6.081 -4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.866 7.568 -5.368 1.00 0.00 H new