USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 554 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 Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 160:sc= -0.0567 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.33 X(o=-2.3,f=-2.5) USER MOD Single : A 52 SER OG : rot 50:sc= 1.11 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.0325 X(o=-0.033,f=-0.19) USER MOD Single : A 60 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.044!) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -0.0453 (180deg=-0.478) USER MOD Single : A 68 ASN : amide:sc= -4.32 K(o=-4.3,f=-5.3!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -147:sc= -0.152 (180deg=-1.01) USER MOD Single : A 74 MET CE :methyl 176:sc= 0 (180deg=-0.022) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 83 THR OG1 : rot -45:sc= 1.14 USER MOD Single : B 84 LYS NZ :NH3+ -177:sc= -3.1 (180deg=-3.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 16 -16.093 -6.918 5.163 1.00 0.00 N ATOM 2 CA GLY A 16 -14.837 -7.409 5.794 1.00 0.00 C ATOM 3 C GLY A 16 -13.666 -7.409 4.836 1.00 0.00 C ATOM 4 O GLY A 16 -13.590 -6.572 3.936 1.00 0.00 O ATOM 0 HA2 GLY A 16 -14.598 -6.783 6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.995 -8.420 6.169 1.00 0.00 H new ATOM 10 N ARG A 17 -12.754 -8.354 5.034 1.00 0.00 N ATOM 11 CA ARG A 17 -11.572 -8.477 4.192 1.00 0.00 C ATOM 12 C ARG A 17 -10.719 -7.222 4.257 1.00 0.00 C ATOM 13 O ARG A 17 -10.949 -6.254 3.533 1.00 0.00 O ATOM 14 CB ARG A 17 -11.970 -8.784 2.752 1.00 0.00 C ATOM 15 CG ARG A 17 -12.305 -10.244 2.545 1.00 0.00 C ATOM 16 CD ARG A 17 -13.737 -10.427 2.075 1.00 0.00 C ATOM 17 NE ARG A 17 -14.297 -11.705 2.507 1.00 0.00 N ATOM 18 CZ ARG A 17 -14.716 -12.649 1.670 1.00 0.00 C ATOM 19 NH1 ARG A 17 -14.637 -12.460 0.359 1.00 0.00 N ATOM 20 NH2 ARG A 17 -15.214 -13.783 2.142 1.00 0.00 N ATOM 0 H ARG A 17 -12.813 -9.051 5.777 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.975 -9.307 4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.831 -8.174 2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.155 -8.503 2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.623 -10.674 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.155 -10.788 3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.352 -9.613 2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.772 -10.365 0.987 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.371 -11.883 3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.254 -11.589 -0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.959 -13.186 -0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.276 -13.933 3.149 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.535 -14.506 1.498 1.00 0.00 H new ATOM 34 N VAL A 18 -9.735 -7.256 5.140 1.00 0.00 N ATOM 35 CA VAL A 18 -8.829 -6.131 5.328 1.00 0.00 C ATOM 36 C VAL A 18 -7.747 -6.104 4.252 1.00 0.00 C ATOM 37 O VAL A 18 -6.610 -6.512 4.489 1.00 0.00 O ATOM 38 CB VAL A 18 -8.162 -6.176 6.716 1.00 0.00 C ATOM 39 CG1 VAL A 18 -7.506 -4.843 7.035 1.00 0.00 C ATOM 40 CG2 VAL A 18 -9.178 -6.543 7.786 1.00 0.00 C ATOM 0 H VAL A 18 -9.541 -8.056 5.743 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.430 -5.225 5.251 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.389 -6.944 6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.040 -4.893 8.019 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.747 -4.622 6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.260 -4.056 7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.688 -6.570 8.759 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.975 -5.800 7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.601 -7.523 7.566 1.00 0.00 H new ATOM 50 N ARG A 19 -8.110 -5.615 3.071 1.00 0.00 N ATOM 51 CA ARG A 19 -7.173 -5.526 1.957 1.00 0.00 C ATOM 52 C ARG A 19 -7.317 -4.190 1.235 1.00 0.00 C ATOM 53 O ARG A 19 -7.683 -4.140 0.061 1.00 0.00 O ATOM 54 CB ARG A 19 -7.394 -6.682 0.976 1.00 0.00 C ATOM 55 CG ARG A 19 -8.860 -6.959 0.681 1.00 0.00 C ATOM 56 CD ARG A 19 -9.080 -8.389 0.213 1.00 0.00 C ATOM 57 NE ARG A 19 -7.841 -9.019 -0.241 1.00 0.00 N ATOM 58 CZ ARG A 19 -7.626 -9.405 -1.497 1.00 0.00 C ATOM 59 NH1 ARG A 19 -8.561 -9.227 -2.420 1.00 0.00 N ATOM 60 NH2 ARG A 19 -6.472 -9.969 -1.828 1.00 0.00 N ATOM 0 H ARG A 19 -9.048 -5.274 2.860 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.162 -5.595 2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.880 -6.457 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.937 -7.584 1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.453 -6.774 1.577 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.214 -6.267 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.506 -8.975 1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.808 -8.396 -0.599 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.100 -9.171 0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.449 -8.793 -2.169 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.392 -9.524 -3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.750 -10.107 -1.121 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.306 -10.265 -2.790 1.00 0.00 H new ATOM 74 N TRP A 20 -7.037 -3.109 1.956 1.00 0.00 N ATOM 75 CA TRP A 20 -7.137 -1.762 1.410 1.00 0.00 C ATOM 76 C TRP A 20 -6.023 -0.886 1.961 1.00 0.00 C ATOM 77 O TRP A 20 -5.459 -1.182 3.012 1.00 0.00 O ATOM 78 CB TRP A 20 -8.506 -1.165 1.739 1.00 0.00 C ATOM 79 CG TRP A 20 -9.614 -1.903 1.069 1.00 0.00 C ATOM 80 CD1 TRP A 20 -10.257 -3.009 1.536 1.00 0.00 C ATOM 81 CD2 TRP A 20 -10.191 -1.602 -0.203 1.00 0.00 C ATOM 82 NE1 TRP A 20 -11.200 -3.423 0.625 1.00 0.00 N ATOM 83 CE2 TRP A 20 -11.180 -2.570 -0.452 1.00 0.00 C ATOM 84 CE3 TRP A 20 -9.969 -0.604 -1.156 1.00 0.00 C ATOM 85 CZ2 TRP A 20 -11.940 -2.570 -1.618 1.00 0.00 C ATOM 86 CZ3 TRP A 20 -10.726 -0.604 -2.311 1.00 0.00 C ATOM 87 CH2 TRP A 20 -11.700 -1.583 -2.535 1.00 0.00 C ATOM 0 H TRP A 20 -6.736 -3.142 2.930 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.030 -1.810 0.326 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.659 -1.183 2.818 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.529 -0.120 1.431 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.056 -3.490 2.482 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.814 -4.231 0.731 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.218 0.155 -0.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -12.694 -3.323 -1.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.564 0.164 -3.053 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -12.274 -1.559 -3.450 1.00 0.00 H new ATOM 98 N ALA A 21 -5.690 0.181 1.245 1.00 0.00 N ATOM 99 CA ALA A 21 -4.640 1.075 1.680 1.00 0.00 C ATOM 100 C ALA A 21 -5.107 2.518 1.626 1.00 0.00 C ATOM 101 O ALA A 21 -5.179 3.117 0.553 1.00 0.00 O ATOM 102 CB ALA A 21 -3.405 0.895 0.815 1.00 0.00 C ATOM 0 H ALA A 21 -6.134 0.442 0.365 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.389 0.831 2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.622 1.574 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.052 -0.133 0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.653 1.115 -0.223 1.00 0.00 H new ATOM 108 N ARG A 22 -5.395 3.085 2.788 1.00 0.00 N ATOM 109 CA ARG A 22 -5.817 4.470 2.855 1.00 0.00 C ATOM 110 C ARG A 22 -4.675 5.307 3.392 1.00 0.00 C ATOM 111 O ARG A 22 -4.299 5.202 4.562 1.00 0.00 O ATOM 112 CB ARG A 22 -7.074 4.629 3.718 1.00 0.00 C ATOM 113 CG ARG A 22 -7.322 6.055 4.191 1.00 0.00 C ATOM 114 CD ARG A 22 -8.250 6.086 5.395 1.00 0.00 C ATOM 115 NE ARG A 22 -8.175 7.355 6.115 1.00 0.00 N ATOM 116 CZ ARG A 22 -9.141 8.269 6.103 1.00 0.00 C ATOM 117 NH1 ARG A 22 -10.250 8.060 5.406 1.00 0.00 N ATOM 118 NH2 ARG A 22 -8.998 9.393 6.790 1.00 0.00 N ATOM 0 H ARG A 22 -5.344 2.609 3.689 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.076 4.814 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.939 4.290 3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.990 3.978 4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.373 6.525 4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.756 6.639 3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.275 5.916 5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.993 5.271 6.071 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.334 7.551 6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.364 7.196 4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.988 8.764 5.399 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.147 9.557 7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.739 10.094 6.781 1.00 0.00 H new ATOM 132 N ALA A 23 -4.109 6.111 2.512 1.00 0.00 N ATOM 133 CA ALA A 23 -2.978 6.953 2.861 1.00 0.00 C ATOM 134 C ALA A 23 -3.393 8.183 3.650 1.00 0.00 C ATOM 135 O ALA A 23 -4.336 8.882 3.287 1.00 0.00 O ATOM 136 CB ALA A 23 -2.232 7.366 1.601 1.00 0.00 C ATOM 0 H ALA A 23 -4.416 6.200 1.543 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.321 6.366 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.385 7.997 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.872 6.477 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.904 7.920 0.946 1.00 0.00 H new ATOM 142 N LEU A 24 -2.647 8.453 4.715 1.00 0.00 N ATOM 143 CA LEU A 24 -2.879 9.617 5.557 1.00 0.00 C ATOM 144 C LEU A 24 -1.728 10.587 5.343 1.00 0.00 C ATOM 145 O LEU A 24 -1.815 11.777 5.645 1.00 0.00 O ATOM 146 CB LEU A 24 -2.968 9.213 7.030 1.00 0.00 C ATOM 147 CG LEU A 24 -3.498 7.801 7.282 1.00 0.00 C ATOM 148 CD1 LEU A 24 -3.048 7.297 8.644 1.00 0.00 C ATOM 149 CD2 LEU A 24 -5.014 7.778 7.176 1.00 0.00 C ATOM 0 H LEU A 24 -1.866 7.871 5.017 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.825 10.087 5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.977 9.297 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.611 9.924 7.548 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.089 7.137 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.435 6.291 8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.959 7.278 8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.427 7.961 9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.376 6.766 7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.441 8.455 7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.314 8.097 6.178 1.00 0.00 H new ATOM 161 N TYR A 25 -0.653 10.035 4.789 1.00 0.00 N ATOM 162 CA TYR A 25 0.556 10.776 4.473 1.00 0.00 C ATOM 163 C TYR A 25 1.040 10.357 3.088 1.00 0.00 C ATOM 164 O TYR A 25 0.434 9.489 2.458 1.00 0.00 O ATOM 165 CB TYR A 25 1.655 10.511 5.508 1.00 0.00 C ATOM 166 CG TYR A 25 1.144 10.269 6.913 1.00 0.00 C ATOM 167 CD1 TYR A 25 0.639 11.313 7.679 1.00 0.00 C ATOM 168 CD2 TYR A 25 1.176 8.998 7.477 1.00 0.00 C ATOM 169 CE1 TYR A 25 0.180 11.098 8.965 1.00 0.00 C ATOM 170 CE2 TYR A 25 0.718 8.776 8.763 1.00 0.00 C ATOM 171 CZ TYR A 25 0.221 9.828 9.502 1.00 0.00 C ATOM 172 OH TYR A 25 -0.234 9.610 10.782 1.00 0.00 O ATOM 0 H TYR A 25 -0.600 9.046 4.545 1.00 0.00 H new ATOM 0 HA TYR A 25 0.331 11.842 4.490 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.235 9.644 5.191 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.336 11.362 5.523 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.605 12.309 7.262 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.565 8.171 6.901 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.209 11.921 9.547 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.750 7.783 9.186 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.136 8.661 11.007 1.00 0.00 H new ATOM 182 N ASP A 26 2.120 10.969 2.614 1.00 0.00 N ATOM 183 CA ASP A 26 2.670 10.642 1.299 1.00 0.00 C ATOM 184 C ASP A 26 2.916 9.132 1.153 1.00 0.00 C ATOM 185 O ASP A 26 2.614 8.350 2.055 1.00 0.00 O ATOM 186 CB ASP A 26 3.964 11.426 1.056 1.00 0.00 C ATOM 187 CG ASP A 26 5.210 10.595 1.293 1.00 0.00 C ATOM 188 OD1 ASP A 26 5.549 10.353 2.470 1.00 0.00 O ATOM 189 OD2 ASP A 26 5.843 10.188 0.299 1.00 0.00 O ATOM 0 H ASP A 26 2.632 11.693 3.118 1.00 0.00 H new ATOM 0 HA ASP A 26 1.937 10.931 0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.971 11.798 0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.984 12.297 1.711 1.00 0.00 H new ATOM 194 N PHE A 27 3.443 8.730 0.001 1.00 0.00 N ATOM 195 CA PHE A 27 3.698 7.315 -0.279 1.00 0.00 C ATOM 196 C PHE A 27 5.170 6.938 -0.103 1.00 0.00 C ATOM 197 O PHE A 27 6.068 7.740 -0.357 1.00 0.00 O ATOM 198 CB PHE A 27 3.260 6.996 -1.704 1.00 0.00 C ATOM 199 CG PHE A 27 4.138 7.619 -2.752 1.00 0.00 C ATOM 200 CD1 PHE A 27 3.883 8.899 -3.216 1.00 0.00 C ATOM 201 CD2 PHE A 27 5.214 6.921 -3.272 1.00 0.00 C ATOM 202 CE1 PHE A 27 4.689 9.473 -4.180 1.00 0.00 C ATOM 203 CE2 PHE A 27 6.023 7.490 -4.236 1.00 0.00 C ATOM 204 CZ PHE A 27 5.761 8.767 -4.692 1.00 0.00 C ATOM 0 H PHE A 27 3.703 9.362 -0.756 1.00 0.00 H new ATOM 0 HA PHE A 27 3.124 6.731 0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.255 5.915 -1.841 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.236 7.340 -1.847 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.045 9.454 -2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.423 5.921 -2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.482 10.472 -4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.861 6.936 -4.633 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.392 9.213 -5.447 1.00 0.00 H new ATOM 214 N GLU A 28 5.401 5.700 0.338 1.00 0.00 N ATOM 215 CA GLU A 28 6.756 5.193 0.558 1.00 0.00 C ATOM 216 C GLU A 28 7.270 4.409 -0.641 1.00 0.00 C ATOM 217 O GLU A 28 8.305 3.746 -0.555 1.00 0.00 O ATOM 218 CB GLU A 28 6.786 4.288 1.785 1.00 0.00 C ATOM 219 CG GLU A 28 6.299 4.967 3.046 1.00 0.00 C ATOM 220 CD GLU A 28 7.364 5.024 4.124 1.00 0.00 C ATOM 221 OE1 GLU A 28 8.202 5.950 4.081 1.00 0.00 O ATOM 222 OE2 GLU A 28 7.360 4.145 5.009 1.00 0.00 O ATOM 0 H GLU A 28 4.664 5.028 0.550 1.00 0.00 H new ATOM 0 HA GLU A 28 7.401 6.058 0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.170 3.409 1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.805 3.935 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.974 5.980 2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.428 4.435 3.428 1.00 0.00 H new ATOM 229 N ALA A 29 6.551 4.470 -1.752 1.00 0.00 N ATOM 230 CA ALA A 29 6.961 3.744 -2.947 1.00 0.00 C ATOM 231 C ALA A 29 8.217 4.356 -3.553 1.00 0.00 C ATOM 232 O ALA A 29 8.164 5.399 -4.204 1.00 0.00 O ATOM 233 CB ALA A 29 5.838 3.714 -3.971 1.00 0.00 C ATOM 0 H ALA A 29 5.690 5.008 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 29 7.189 2.719 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.166 3.167 -4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.967 3.220 -3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.575 4.734 -4.252 1.00 0.00 H new ATOM 239 N LEU A 30 9.350 3.697 -3.331 1.00 0.00 N ATOM 240 CA LEU A 30 10.627 4.170 -3.850 1.00 0.00 C ATOM 241 C LEU A 30 11.088 3.305 -5.017 1.00 0.00 C ATOM 242 O LEU A 30 12.031 3.654 -5.726 1.00 0.00 O ATOM 243 CB LEU A 30 11.685 4.165 -2.744 1.00 0.00 C ATOM 244 CG LEU A 30 11.190 4.622 -1.371 1.00 0.00 C ATOM 245 CD1 LEU A 30 12.095 4.092 -0.271 1.00 0.00 C ATOM 246 CD2 LEU A 30 11.109 6.140 -1.314 1.00 0.00 C ATOM 0 H LEU A 30 9.409 2.832 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 30 10.493 5.191 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.086 3.156 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.510 4.809 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 30 10.190 4.217 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.726 4.428 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.101 3.002 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.108 4.465 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.755 6.449 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.097 6.564 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.417 6.496 -2.077 1.00 0.00 H new ATOM 258 N GLU A 31 10.415 2.174 -5.208 1.00 0.00 N ATOM 259 CA GLU A 31 10.756 1.257 -6.291 1.00 0.00 C ATOM 260 C GLU A 31 9.753 1.364 -7.436 1.00 0.00 C ATOM 261 O GLU A 31 8.775 2.106 -7.351 1.00 0.00 O ATOM 262 CB GLU A 31 10.809 -0.182 -5.775 1.00 0.00 C ATOM 263 CG GLU A 31 12.166 -0.843 -5.956 1.00 0.00 C ATOM 264 CD GLU A 31 12.250 -1.662 -7.229 1.00 0.00 C ATOM 265 OE1 GLU A 31 11.364 -2.516 -7.444 1.00 0.00 O ATOM 266 OE2 GLU A 31 13.199 -1.448 -8.011 1.00 0.00 O ATOM 0 H GLU A 31 9.632 1.871 -4.628 1.00 0.00 H new ATOM 0 HA GLU A 31 11.740 1.535 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.549 -0.190 -4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.054 -0.773 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.941 -0.076 -5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.370 -1.487 -5.100 1.00 0.00 H new ATOM 273 N GLU A 32 10.007 0.620 -8.510 1.00 0.00 N ATOM 274 CA GLU A 32 9.130 0.635 -9.677 1.00 0.00 C ATOM 275 C GLU A 32 8.031 -0.417 -9.550 1.00 0.00 C ATOM 276 O GLU A 32 6.911 -0.217 -10.021 1.00 0.00 O ATOM 277 CB GLU A 32 9.941 0.392 -10.952 1.00 0.00 C ATOM 278 CG GLU A 32 10.590 -0.981 -11.010 1.00 0.00 C ATOM 279 CD GLU A 32 11.961 -0.951 -11.655 1.00 0.00 C ATOM 280 OE1 GLU A 32 12.107 -0.298 -12.710 1.00 0.00 O ATOM 281 OE2 GLU A 32 12.890 -1.581 -11.106 1.00 0.00 O ATOM 0 H GLU A 32 10.812 -0.000 -8.596 1.00 0.00 H new ATOM 0 HA GLU A 32 8.660 1.617 -9.734 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.288 0.512 -11.816 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.716 1.154 -11.030 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.677 -1.381 -10.000 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.945 -1.660 -11.567 1.00 0.00 H new ATOM 288 N ASP A 33 8.357 -1.537 -8.911 1.00 0.00 N ATOM 289 CA ASP A 33 7.397 -2.620 -8.723 1.00 0.00 C ATOM 290 C ASP A 33 6.402 -2.281 -7.621 1.00 0.00 C ATOM 291 O ASP A 33 5.588 -3.117 -7.228 1.00 0.00 O ATOM 292 CB ASP A 33 8.122 -3.920 -8.372 1.00 0.00 C ATOM 293 CG ASP A 33 7.612 -5.102 -9.172 1.00 0.00 C ATOM 294 OD1 ASP A 33 6.419 -5.444 -9.030 1.00 0.00 O ATOM 295 OD2 ASP A 33 8.406 -5.687 -9.939 1.00 0.00 O ATOM 0 H ASP A 33 9.279 -1.718 -8.515 1.00 0.00 H new ATOM 0 HA ASP A 33 6.854 -2.750 -9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.190 -3.797 -8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.000 -4.125 -7.308 1.00 0.00 H new ATOM 300 N GLU A 34 6.474 -1.053 -7.122 1.00 0.00 N ATOM 301 CA GLU A 34 5.583 -0.609 -6.062 1.00 0.00 C ATOM 302 C GLU A 34 4.545 0.372 -6.594 1.00 0.00 C ATOM 303 O GLU A 34 4.401 0.546 -7.805 1.00 0.00 O ATOM 304 CB GLU A 34 6.390 0.031 -4.932 1.00 0.00 C ATOM 305 CG GLU A 34 7.461 -0.886 -4.365 1.00 0.00 C ATOM 306 CD GLU A 34 8.459 -0.155 -3.487 1.00 0.00 C ATOM 307 OE1 GLU A 34 8.312 1.072 -3.314 1.00 0.00 O ATOM 308 OE2 GLU A 34 9.387 -0.813 -2.971 1.00 0.00 O ATOM 0 H GLU A 34 7.141 -0.348 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 34 5.055 -1.479 -5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.860 0.942 -5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.711 0.324 -4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.985 -1.677 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.992 -1.368 -5.186 1.00 0.00 H new ATOM 315 N LEU A 35 3.818 1.001 -5.680 1.00 0.00 N ATOM 316 CA LEU A 35 2.784 1.957 -6.046 1.00 0.00 C ATOM 317 C LEU A 35 2.778 3.128 -5.071 1.00 0.00 C ATOM 318 O LEU A 35 2.950 2.943 -3.866 1.00 0.00 O ATOM 319 CB LEU A 35 1.420 1.263 -6.064 1.00 0.00 C ATOM 320 CG LEU A 35 0.223 2.152 -5.723 1.00 0.00 C ATOM 321 CD1 LEU A 35 -0.171 3.000 -6.921 1.00 0.00 C ATOM 322 CD2 LEU A 35 -0.948 1.302 -5.256 1.00 0.00 C ATOM 0 H LEU A 35 3.927 0.865 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 35 2.993 2.345 -7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.262 0.836 -7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.446 0.432 -5.359 1.00 0.00 H new ATOM 0 HG LEU A 35 0.507 2.823 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.024 3.626 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.668 3.633 -7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.440 2.350 -7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.793 1.947 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.233 0.609 -6.048 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.658 0.739 -4.369 1.00 0.00 H new ATOM 334 N GLY A 36 2.592 4.333 -5.598 1.00 0.00 N ATOM 335 CA GLY A 36 2.589 5.511 -4.755 1.00 0.00 C ATOM 336 C GLY A 36 1.250 6.220 -4.700 1.00 0.00 C ATOM 337 O GLY A 36 0.646 6.513 -5.731 1.00 0.00 O ATOM 0 H GLY A 36 2.444 4.514 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.880 5.224 -3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.344 6.208 -5.118 1.00 0.00 H new ATOM 341 N PHE A 37 0.800 6.508 -3.481 1.00 0.00 N ATOM 342 CA PHE A 37 -0.463 7.206 -3.263 1.00 0.00 C ATOM 343 C PHE A 37 -0.224 8.559 -2.607 1.00 0.00 C ATOM 344 O PHE A 37 0.915 8.942 -2.343 1.00 0.00 O ATOM 345 CB PHE A 37 -1.391 6.388 -2.364 1.00 0.00 C ATOM 346 CG PHE A 37 -0.683 5.382 -1.501 1.00 0.00 C ATOM 347 CD1 PHE A 37 0.204 5.795 -0.520 1.00 0.00 C ATOM 348 CD2 PHE A 37 -0.912 4.026 -1.665 1.00 0.00 C ATOM 349 CE1 PHE A 37 0.851 4.875 0.280 1.00 0.00 C ATOM 350 CE2 PHE A 37 -0.269 3.101 -0.867 1.00 0.00 C ATOM 351 CZ PHE A 37 0.613 3.526 0.108 1.00 0.00 C ATOM 0 H PHE A 37 1.296 6.266 -2.623 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.929 7.346 -4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.951 7.069 -1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.117 5.867 -2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.391 6.849 -0.380 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.601 3.689 -2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.542 5.210 1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.455 2.046 -1.005 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.115 2.804 0.735 1.00 0.00 H new ATOM 361 N ARG A 38 -1.312 9.268 -2.325 1.00 0.00 N ATOM 362 CA ARG A 38 -1.229 10.571 -1.674 1.00 0.00 C ATOM 363 C ARG A 38 -2.168 10.623 -0.472 1.00 0.00 C ATOM 364 O ARG A 38 -3.081 9.806 -0.357 1.00 0.00 O ATOM 365 CB ARG A 38 -1.574 11.690 -2.659 1.00 0.00 C ATOM 366 CG ARG A 38 -0.971 11.497 -4.039 1.00 0.00 C ATOM 367 CD ARG A 38 -0.743 12.829 -4.736 1.00 0.00 C ATOM 368 NE ARG A 38 -1.997 13.430 -5.186 1.00 0.00 N ATOM 369 CZ ARG A 38 -2.067 14.545 -5.907 1.00 0.00 C ATOM 370 NH1 ARG A 38 -0.959 15.182 -6.263 1.00 0.00 N ATOM 371 NH2 ARG A 38 -3.248 15.024 -6.273 1.00 0.00 N ATOM 0 H ARG A 38 -2.262 8.962 -2.537 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.205 10.717 -1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.658 11.758 -2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.229 12.640 -2.251 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.025 10.963 -3.953 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.633 10.877 -4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.236 13.513 -4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.083 12.683 -5.591 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.870 12.967 -4.932 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.049 14.817 -5.984 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.018 16.037 -6.816 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.102 14.537 -6.001 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.302 15.879 -6.826 1.00 0.00 H new ATOM 385 N SER A 39 -1.934 11.581 0.424 1.00 0.00 N ATOM 386 CA SER A 39 -2.760 11.731 1.621 1.00 0.00 C ATOM 387 C SER A 39 -4.248 11.677 1.281 1.00 0.00 C ATOM 388 O SER A 39 -4.674 12.149 0.227 1.00 0.00 O ATOM 389 CB SER A 39 -2.440 13.048 2.331 1.00 0.00 C ATOM 390 OG SER A 39 -3.091 14.139 1.703 1.00 0.00 O ATOM 0 H SER A 39 -1.180 12.264 0.344 1.00 0.00 H new ATOM 0 HA SER A 39 -2.529 10.899 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.751 12.987 3.374 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.363 13.213 2.328 1.00 0.00 H new ATOM 0 HG SER A 39 -2.871 14.968 2.177 1.00 0.00 H new ATOM 396 N GLY A 40 -5.028 11.098 2.188 1.00 0.00 N ATOM 397 CA GLY A 40 -6.461 10.982 1.985 1.00 0.00 C ATOM 398 C GLY A 40 -6.819 10.266 0.698 1.00 0.00 C ATOM 399 O GLY A 40 -7.466 10.842 -0.177 1.00 0.00 O ATOM 0 H GLY A 40 -4.690 10.704 3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.900 10.446 2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.903 11.978 1.976 1.00 0.00 H new ATOM 403 N GLU A 41 -6.404 9.007 0.580 1.00 0.00 N ATOM 404 CA GLU A 41 -6.694 8.219 -0.613 1.00 0.00 C ATOM 405 C GLU A 41 -7.043 6.780 -0.253 1.00 0.00 C ATOM 406 O GLU A 41 -6.743 6.317 0.844 1.00 0.00 O ATOM 407 CB GLU A 41 -5.501 8.247 -1.571 1.00 0.00 C ATOM 408 CG GLU A 41 -5.418 9.521 -2.395 1.00 0.00 C ATOM 409 CD GLU A 41 -5.165 9.251 -3.866 1.00 0.00 C ATOM 410 OE1 GLU A 41 -6.111 8.825 -4.561 1.00 0.00 O ATOM 411 OE2 GLU A 41 -4.023 9.466 -4.321 1.00 0.00 O ATOM 0 H GLU A 41 -5.868 8.513 1.293 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.558 8.664 -1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.581 8.134 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.565 7.392 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.348 10.080 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.620 10.151 -2.003 1.00 0.00 H new ATOM 418 N VAL A 42 -7.680 6.078 -1.188 1.00 0.00 N ATOM 419 CA VAL A 42 -8.072 4.689 -0.974 1.00 0.00 C ATOM 420 C VAL A 42 -7.455 3.782 -2.033 1.00 0.00 C ATOM 421 O VAL A 42 -7.459 4.109 -3.221 1.00 0.00 O ATOM 422 CB VAL A 42 -9.603 4.516 -1.000 1.00 0.00 C ATOM 423 CG1 VAL A 42 -10.003 3.203 -0.347 1.00 0.00 C ATOM 424 CG2 VAL A 42 -10.288 5.689 -0.315 1.00 0.00 C ATOM 0 H VAL A 42 -7.936 6.450 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.704 4.407 0.013 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.928 4.493 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.088 3.098 -0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.545 2.374 -0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.664 3.194 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.368 5.547 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.958 5.748 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.029 6.613 -0.831 1.00 0.00 H new ATOM 434 N VAL A 43 -6.920 2.647 -1.597 1.00 0.00 N ATOM 435 CA VAL A 43 -6.292 1.697 -2.509 1.00 0.00 C ATOM 436 C VAL A 43 -6.814 0.281 -2.289 1.00 0.00 C ATOM 437 O VAL A 43 -6.973 -0.161 -1.154 1.00 0.00 O ATOM 438 CB VAL A 43 -4.760 1.692 -2.337 1.00 0.00 C ATOM 439 CG1 VAL A 43 -4.098 0.894 -3.447 1.00 0.00 C ATOM 440 CG2 VAL A 43 -4.218 3.112 -2.294 1.00 0.00 C ATOM 0 H VAL A 43 -6.908 2.362 -0.618 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.545 2.019 -3.519 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.525 1.212 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.017 0.903 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.459 -0.134 -3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.343 1.340 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.135 3.085 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.466 3.624 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.664 3.646 -1.455 1.00 0.00 H new ATOM 450 N GLU A 44 -7.060 -0.436 -3.381 1.00 0.00 N ATOM 451 CA GLU A 44 -7.541 -1.810 -3.295 1.00 0.00 C ATOM 452 C GLU A 44 -6.354 -2.768 -3.297 1.00 0.00 C ATOM 453 O GLU A 44 -5.614 -2.848 -4.277 1.00 0.00 O ATOM 454 CB GLU A 44 -8.486 -2.128 -4.456 1.00 0.00 C ATOM 455 CG GLU A 44 -9.222 -3.449 -4.298 1.00 0.00 C ATOM 456 CD GLU A 44 -9.468 -4.142 -5.623 1.00 0.00 C ATOM 457 OE1 GLU A 44 -8.511 -4.726 -6.175 1.00 0.00 O ATOM 458 OE2 GLU A 44 -10.618 -4.104 -6.109 1.00 0.00 O ATOM 0 H GLU A 44 -6.935 -0.090 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.098 -1.931 -2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.216 -1.324 -4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.914 -2.149 -5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.644 -4.107 -3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.176 -3.272 -3.802 1.00 0.00 H new ATOM 465 N VAL A 45 -6.167 -3.481 -2.191 1.00 0.00 N ATOM 466 CA VAL A 45 -5.054 -4.414 -2.067 1.00 0.00 C ATOM 467 C VAL A 45 -5.353 -5.727 -2.780 1.00 0.00 C ATOM 468 O VAL A 45 -6.452 -6.271 -2.674 1.00 0.00 O ATOM 469 CB VAL A 45 -4.720 -4.702 -0.591 1.00 0.00 C ATOM 470 CG1 VAL A 45 -3.597 -5.721 -0.480 1.00 0.00 C ATOM 471 CG2 VAL A 45 -4.351 -3.416 0.131 1.00 0.00 C ATOM 0 H VAL A 45 -6.770 -3.431 -1.370 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.192 -3.940 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.606 -5.122 -0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.378 -5.909 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.901 -6.652 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.705 -5.334 -0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.118 -3.637 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.481 -2.967 -0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.189 -2.721 0.087 1.00 0.00 H new ATOM 481 N LEU A 46 -4.362 -6.223 -3.514 1.00 0.00 N ATOM 482 CA LEU A 46 -4.507 -7.466 -4.259 1.00 0.00 C ATOM 483 C LEU A 46 -3.860 -8.631 -3.517 1.00 0.00 C ATOM 484 O LEU A 46 -4.208 -9.791 -3.743 1.00 0.00 O ATOM 485 CB LEU A 46 -3.886 -7.319 -5.647 1.00 0.00 C ATOM 486 CG LEU A 46 -4.889 -7.112 -6.781 1.00 0.00 C ATOM 487 CD1 LEU A 46 -5.080 -5.631 -7.062 1.00 0.00 C ATOM 488 CD2 LEU A 46 -4.433 -7.840 -8.036 1.00 0.00 C ATOM 0 H LEU A 46 -3.448 -5.781 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.571 -7.679 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.196 -6.475 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.296 -8.210 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.848 -7.528 -6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.798 -5.504 -7.873 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.454 -5.136 -6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.126 -5.189 -7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.160 -7.681 -8.833 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.462 -7.454 -8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.350 -8.907 -7.828 1.00 0.00 H new ATOM 500 N ASP A 47 -2.917 -8.320 -2.633 1.00 0.00 N ATOM 501 CA ASP A 47 -2.225 -9.348 -1.864 1.00 0.00 C ATOM 502 C ASP A 47 -1.805 -8.827 -0.492 1.00 0.00 C ATOM 503 O ASP A 47 -0.636 -8.516 -0.264 1.00 0.00 O ATOM 504 CB ASP A 47 -0.998 -9.847 -2.630 1.00 0.00 C ATOM 505 CG ASP A 47 -0.820 -11.350 -2.526 1.00 0.00 C ATOM 506 OD1 ASP A 47 -1.589 -11.990 -1.775 1.00 0.00 O ATOM 507 OD2 ASP A 47 0.085 -11.889 -3.196 1.00 0.00 O ATOM 0 H ASP A 47 -2.615 -7.367 -2.432 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.918 -10.176 -1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.090 -9.567 -3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.107 -9.351 -2.245 1.00 0.00 H new ATOM 512 N SER A 48 -2.767 -8.745 0.422 1.00 0.00 N ATOM 513 CA SER A 48 -2.501 -8.273 1.778 1.00 0.00 C ATOM 514 C SER A 48 -1.703 -9.294 2.554 1.00 0.00 C ATOM 515 O SER A 48 -1.252 -9.015 3.666 1.00 0.00 O ATOM 516 CB SER A 48 -3.810 -7.961 2.506 1.00 0.00 C ATOM 517 OG SER A 48 -4.874 -8.753 2.006 1.00 0.00 O ATOM 0 H SER A 48 -3.739 -9.000 0.249 1.00 0.00 H new ATOM 0 HA SER A 48 -1.914 -7.357 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.688 -8.143 3.574 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.052 -6.905 2.388 1.00 0.00 H new ATOM 0 HG SER A 48 -5.598 -8.783 2.666 1.00 0.00 H new ATOM 523 N SER A 49 -1.493 -10.468 1.972 1.00 0.00 N ATOM 524 CA SER A 49 -0.707 -11.462 2.661 1.00 0.00 C ATOM 525 C SER A 49 0.750 -11.034 2.625 1.00 0.00 C ATOM 526 O SER A 49 1.367 -10.974 1.561 1.00 0.00 O ATOM 527 CB SER A 49 -0.876 -12.837 2.010 1.00 0.00 C ATOM 528 OG SER A 49 -1.531 -13.739 2.886 1.00 0.00 O ATOM 0 H SER A 49 -1.846 -10.742 1.055 1.00 0.00 H new ATOM 0 HA SER A 49 -1.046 -11.543 3.694 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.450 -12.739 1.089 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.101 -13.236 1.736 1.00 0.00 H new ATOM 0 HG SER A 49 -1.628 -14.609 2.446 1.00 0.00 H new ATOM 534 N ASN A 50 1.265 -10.730 3.807 1.00 0.00 N ATOM 535 CA ASN A 50 2.638 -10.276 4.005 1.00 0.00 C ATOM 536 C ASN A 50 2.739 -9.598 5.367 1.00 0.00 C ATOM 537 O ASN A 50 1.731 -9.138 5.904 1.00 0.00 O ATOM 538 CB ASN A 50 3.042 -9.288 2.915 1.00 0.00 C ATOM 539 CG ASN A 50 3.937 -9.901 1.857 1.00 0.00 C ATOM 540 OD1 ASN A 50 4.884 -10.623 2.167 1.00 0.00 O ATOM 541 ND2 ASN A 50 3.635 -9.611 0.597 1.00 0.00 N ATOM 0 H ASN A 50 0.731 -10.792 4.674 1.00 0.00 H new ATOM 0 HA ASN A 50 3.308 -11.135 3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.144 -8.895 2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.557 -8.443 3.372 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.198 -9.992 -0.163 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.840 -9.007 0.389 1.00 0.00 H new ATOM 548 N PRO A 51 3.936 -9.539 5.967 1.00 0.00 N ATOM 549 CA PRO A 51 4.113 -8.932 7.276 1.00 0.00 C ATOM 550 C PRO A 51 4.434 -7.439 7.229 1.00 0.00 C ATOM 551 O PRO A 51 4.784 -6.852 8.253 1.00 0.00 O ATOM 552 CB PRO A 51 5.293 -9.717 7.834 1.00 0.00 C ATOM 553 CG PRO A 51 6.134 -10.033 6.637 1.00 0.00 C ATOM 554 CD PRO A 51 5.204 -10.081 5.444 1.00 0.00 C ATOM 0 HA PRO A 51 3.202 -8.979 7.872 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.849 -9.131 8.566 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.963 -10.625 8.338 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.904 -9.275 6.496 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.646 -10.987 6.766 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.584 -9.483 4.616 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.082 -11.098 5.072 1.00 0.00 H new ATOM 562 N SER A 52 4.313 -6.822 6.055 1.00 0.00 N ATOM 563 CA SER A 52 4.600 -5.393 5.933 1.00 0.00 C ATOM 564 C SER A 52 4.224 -4.837 4.561 1.00 0.00 C ATOM 565 O SER A 52 3.411 -3.920 4.460 1.00 0.00 O ATOM 566 CB SER A 52 6.079 -5.126 6.207 1.00 0.00 C ATOM 567 OG SER A 52 6.287 -4.737 7.554 1.00 0.00 O ATOM 0 H SER A 52 4.024 -7.278 5.190 1.00 0.00 H new ATOM 0 HA SER A 52 3.986 -4.882 6.675 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.660 -6.023 5.991 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.440 -4.344 5.540 1.00 0.00 H new ATOM 0 HG SER A 52 5.836 -5.370 8.151 1.00 0.00 H new ATOM 573 N TRP A 53 4.837 -5.369 3.510 1.00 0.00 N ATOM 574 CA TRP A 53 4.572 -4.889 2.155 1.00 0.00 C ATOM 575 C TRP A 53 3.548 -5.756 1.431 1.00 0.00 C ATOM 576 O TRP A 53 3.774 -6.943 1.204 1.00 0.00 O ATOM 577 CB TRP A 53 5.870 -4.853 1.347 1.00 0.00 C ATOM 578 CG TRP A 53 6.659 -3.594 1.532 1.00 0.00 C ATOM 579 CD1 TRP A 53 7.533 -3.318 2.543 1.00 0.00 C ATOM 580 CD2 TRP A 53 6.652 -2.444 0.680 1.00 0.00 C ATOM 581 NE1 TRP A 53 8.069 -2.065 2.373 1.00 0.00 N ATOM 582 CE2 TRP A 53 7.543 -1.507 1.236 1.00 0.00 C ATOM 583 CE3 TRP A 53 5.978 -2.114 -0.499 1.00 0.00 C ATOM 584 CZ2 TRP A 53 7.777 -0.264 0.651 1.00 0.00 C ATOM 585 CZ3 TRP A 53 6.210 -0.880 -1.076 1.00 0.00 C ATOM 586 CH2 TRP A 53 7.104 0.030 -0.501 1.00 0.00 C ATOM 0 H TRP A 53 5.517 -6.128 3.567 1.00 0.00 H new ATOM 0 HA TRP A 53 4.160 -3.884 2.243 1.00 0.00 H new ATOM 0 HB2 TRP A 53 6.489 -5.704 1.632 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.633 -4.971 0.290 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.769 -3.987 3.358 1.00 0.00 H new ATOM 0 HE1 TRP A 53 8.748 -1.622 2.992 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.288 -2.811 -0.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.465 0.441 1.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.693 -0.614 -1.986 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.265 0.985 -0.978 1.00 0.00 H new ATOM 597 N TRP A 54 2.430 -5.145 1.044 1.00 0.00 N ATOM 598 CA TRP A 54 1.383 -5.856 0.315 1.00 0.00 C ATOM 599 C TRP A 54 1.263 -5.313 -1.106 1.00 0.00 C ATOM 600 O TRP A 54 1.327 -4.103 -1.323 1.00 0.00 O ATOM 601 CB TRP A 54 0.019 -5.732 1.001 1.00 0.00 C ATOM 602 CG TRP A 54 0.003 -6.037 2.467 1.00 0.00 C ATOM 603 CD1 TRP A 54 0.890 -6.800 3.163 1.00 0.00 C ATOM 604 CD2 TRP A 54 -0.977 -5.598 3.414 1.00 0.00 C ATOM 605 NE1 TRP A 54 0.516 -6.875 4.481 1.00 0.00 N ATOM 606 CE2 TRP A 54 -0.624 -6.137 4.663 1.00 0.00 C ATOM 607 CE3 TRP A 54 -2.120 -4.798 3.324 1.00 0.00 C ATOM 608 CZ2 TRP A 54 -1.374 -5.905 5.814 1.00 0.00 C ATOM 609 CZ3 TRP A 54 -2.863 -4.566 4.466 1.00 0.00 C ATOM 610 CH2 TRP A 54 -2.487 -5.118 5.697 1.00 0.00 C ATOM 0 H TRP A 54 2.227 -4.162 1.223 1.00 0.00 H new ATOM 0 HA TRP A 54 1.670 -6.907 0.297 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.350 -4.717 0.855 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.681 -6.401 0.501 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.761 -7.277 2.739 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.007 -7.396 5.208 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.417 -4.369 2.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.087 -6.331 6.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.748 -3.949 4.408 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.088 -4.918 6.572 1.00 0.00 H new ATOM 621 N THR A 55 1.082 -6.210 -2.069 1.00 0.00 N ATOM 622 CA THR A 55 0.944 -5.814 -3.466 1.00 0.00 C ATOM 623 C THR A 55 -0.504 -5.456 -3.803 1.00 0.00 C ATOM 624 O THR A 55 -1.399 -6.295 -3.708 1.00 0.00 O ATOM 625 CB THR A 55 1.417 -6.932 -4.413 1.00 0.00 C ATOM 626 OG1 THR A 55 2.690 -7.429 -3.986 1.00 0.00 O ATOM 627 CG2 THR A 55 1.520 -6.423 -5.842 1.00 0.00 C ATOM 0 H THR A 55 1.027 -7.216 -1.908 1.00 0.00 H new ATOM 0 HA THR A 55 1.572 -4.934 -3.607 1.00 0.00 H new ATOM 0 HB THR A 55 0.684 -7.738 -4.383 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.983 -8.141 -4.592 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.856 -7.230 -6.493 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.543 -6.072 -6.174 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.235 -5.601 -5.885 1.00 0.00 H new ATOM 635 N GLY A 56 -0.722 -4.204 -4.203 1.00 0.00 N ATOM 636 CA GLY A 56 -2.057 -3.747 -4.560 1.00 0.00 C ATOM 637 C GLY A 56 -2.022 -2.717 -5.677 1.00 0.00 C ATOM 638 O GLY A 56 -0.989 -2.536 -6.316 1.00 0.00 O ATOM 0 H GLY A 56 0.006 -3.495 -4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.662 -4.599 -4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.540 -3.316 -3.683 1.00 0.00 H new ATOM 642 N ARG A 57 -3.143 -2.038 -5.921 1.00 0.00 N ATOM 643 CA ARG A 57 -3.193 -1.029 -6.979 1.00 0.00 C ATOM 644 C ARG A 57 -4.101 0.145 -6.609 1.00 0.00 C ATOM 645 O ARG A 57 -5.222 -0.044 -6.136 1.00 0.00 O ATOM 646 CB ARG A 57 -3.654 -1.653 -8.301 1.00 0.00 C ATOM 647 CG ARG A 57 -4.995 -2.363 -8.210 1.00 0.00 C ATOM 648 CD ARG A 57 -5.729 -2.337 -9.540 1.00 0.00 C ATOM 649 NE ARG A 57 -7.082 -2.877 -9.428 1.00 0.00 N ATOM 650 CZ ARG A 57 -8.058 -2.610 -10.291 1.00 0.00 C ATOM 651 NH1 ARG A 57 -7.834 -1.813 -11.327 1.00 0.00 N ATOM 652 NH2 ARG A 57 -9.261 -3.140 -10.118 1.00 0.00 N ATOM 0 H ARG A 57 -4.016 -2.165 -5.409 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.181 -0.642 -7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.718 -0.871 -9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.900 -2.363 -8.639 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.841 -3.396 -7.898 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.609 -1.887 -7.445 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.777 -1.312 -9.908 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.168 -2.914 -10.275 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.290 -3.494 -8.643 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.910 -1.402 -11.464 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.585 -1.611 -11.987 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.439 -3.753 -9.322 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.009 -2.935 -10.780 1.00 0.00 H new ATOM 666 N LEU A 58 -3.599 1.357 -6.843 1.00 0.00 N ATOM 667 CA LEU A 58 -4.342 2.581 -6.555 1.00 0.00 C ATOM 668 C LEU A 58 -4.906 3.167 -7.845 1.00 0.00 C ATOM 669 O LEU A 58 -4.151 3.539 -8.742 1.00 0.00 O ATOM 670 CB LEU A 58 -3.429 3.608 -5.872 1.00 0.00 C ATOM 671 CG LEU A 58 -3.938 5.054 -5.879 1.00 0.00 C ATOM 672 CD1 LEU A 58 -4.871 5.300 -4.705 1.00 0.00 C ATOM 673 CD2 LEU A 58 -2.770 6.027 -5.846 1.00 0.00 C ATOM 0 H LEU A 58 -2.671 1.517 -7.235 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.166 2.339 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.276 3.300 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.454 3.582 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.498 5.217 -6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.221 6.332 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.725 4.626 -4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.337 5.119 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.148 7.049 -5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.184 5.862 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.140 5.869 -6.721 1.00 0.00 H new ATOM 685 N HIS A 59 -6.231 3.233 -7.936 1.00 0.00 N ATOM 686 CA HIS A 59 -6.893 3.760 -9.125 1.00 0.00 C ATOM 687 C HIS A 59 -6.623 2.856 -10.325 1.00 0.00 C ATOM 688 O HIS A 59 -7.419 1.970 -10.634 1.00 0.00 O ATOM 689 CB HIS A 59 -6.421 5.188 -9.421 1.00 0.00 C ATOM 690 CG HIS A 59 -6.931 6.204 -8.448 1.00 0.00 C ATOM 691 ND1 HIS A 59 -7.891 5.924 -7.499 1.00 0.00 N ATOM 692 CD2 HIS A 59 -6.609 7.509 -8.280 1.00 0.00 C ATOM 693 CE1 HIS A 59 -8.137 7.012 -6.790 1.00 0.00 C ATOM 694 NE2 HIS A 59 -7.372 7.986 -7.243 1.00 0.00 N ATOM 0 H HIS A 59 -6.868 2.928 -7.200 1.00 0.00 H new ATOM 0 HA HIS A 59 -7.966 3.785 -8.937 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.331 5.209 -9.417 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.742 5.466 -10.425 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.887 8.070 -8.855 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -8.844 7.090 -5.978 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -7.351 8.940 -6.881 1.00 0.00 H new ATOM 703 N ASN A 60 -5.494 3.082 -10.995 1.00 0.00 N ATOM 704 CA ASN A 60 -5.121 2.279 -12.156 1.00 0.00 C ATOM 705 C ASN A 60 -3.629 1.955 -12.148 1.00 0.00 C ATOM 706 O ASN A 60 -3.097 1.416 -13.118 1.00 0.00 O ATOM 707 CB ASN A 60 -5.490 3.010 -13.449 1.00 0.00 C ATOM 708 CG ASN A 60 -6.837 2.580 -13.998 1.00 0.00 C ATOM 709 OD1 ASN A 60 -7.746 2.232 -13.246 1.00 0.00 O ATOM 710 ND2 ASN A 60 -6.971 2.603 -15.319 1.00 0.00 N ATOM 0 H ASN A 60 -4.824 3.813 -10.754 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.674 1.341 -12.105 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.503 4.084 -13.264 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.721 2.825 -14.199 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.854 2.325 -15.747 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.191 2.899 -15.906 1.00 0.00 H new ATOM 717 N LYS A 61 -2.963 2.278 -11.046 1.00 0.00 N ATOM 718 CA LYS A 61 -1.538 2.012 -10.904 1.00 0.00 C ATOM 719 C LYS A 61 -1.323 0.777 -10.041 1.00 0.00 C ATOM 720 O LYS A 61 -1.879 0.675 -8.950 1.00 0.00 O ATOM 721 CB LYS A 61 -0.830 3.215 -10.278 1.00 0.00 C ATOM 722 CG LYS A 61 -0.402 4.265 -11.289 1.00 0.00 C ATOM 723 CD LYS A 61 0.830 5.021 -10.819 1.00 0.00 C ATOM 724 CE LYS A 61 0.673 6.521 -11.015 1.00 0.00 C ATOM 725 NZ LYS A 61 0.240 6.859 -12.398 1.00 0.00 N ATOM 0 H LYS A 61 -3.390 2.726 -10.235 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.117 1.835 -11.893 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.494 3.676 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.049 2.866 -9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.194 3.787 -12.246 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.220 4.967 -11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.009 4.808 -9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.704 4.671 -11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.057 6.906 -10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.620 7.016 -10.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.599 7.801 -12.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.617 6.153 -13.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.799 6.860 -12.446 1.00 0.00 H new ATOM 739 N LEU A 62 -0.523 -0.163 -10.533 1.00 0.00 N ATOM 740 CA LEU A 62 -0.257 -1.393 -9.794 1.00 0.00 C ATOM 741 C LEU A 62 1.114 -1.354 -9.133 1.00 0.00 C ATOM 742 O LEU A 62 2.060 -0.774 -9.668 1.00 0.00 O ATOM 743 CB LEU A 62 -0.348 -2.607 -10.724 1.00 0.00 C ATOM 744 CG LEU A 62 -1.162 -2.392 -12.001 1.00 0.00 C ATOM 745 CD1 LEU A 62 -0.284 -2.572 -13.229 1.00 0.00 C ATOM 746 CD2 LEU A 62 -2.345 -3.348 -12.045 1.00 0.00 C ATOM 0 H LEU A 62 -0.050 -0.098 -11.434 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.013 -1.480 -9.014 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.662 -2.907 -11.003 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.785 -3.437 -10.169 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.544 -1.371 -11.999 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.880 -2.415 -14.128 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.531 -1.848 -13.203 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.127 -3.581 -13.237 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.913 -3.182 -12.960 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.983 -4.376 -12.025 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.987 -3.172 -11.182 1.00 0.00 H new ATOM 758 N GLY A 63 1.212 -1.983 -7.966 1.00 0.00 N ATOM 759 CA GLY A 63 2.467 -2.018 -7.243 1.00 0.00 C ATOM 760 C GLY A 63 2.277 -2.175 -5.745 1.00 0.00 C ATOM 761 O GLY A 63 1.220 -1.847 -5.207 1.00 0.00 O ATOM 0 H GLY A 63 0.441 -2.470 -7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.074 -2.843 -7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.021 -1.100 -7.440 1.00 0.00 H new ATOM 765 N LEU A 64 3.306 -2.681 -5.074 1.00 0.00 N ATOM 766 CA LEU A 64 3.256 -2.888 -3.627 1.00 0.00 C ATOM 767 C LEU A 64 3.270 -1.555 -2.880 1.00 0.00 C ATOM 768 O LEU A 64 3.615 -0.520 -3.446 1.00 0.00 O ATOM 769 CB LEU A 64 4.428 -3.761 -3.163 1.00 0.00 C ATOM 770 CG LEU A 64 5.468 -4.095 -4.236 1.00 0.00 C ATOM 771 CD1 LEU A 64 6.820 -4.369 -3.601 1.00 0.00 C ATOM 772 CD2 LEU A 64 5.014 -5.290 -5.062 1.00 0.00 C ATOM 0 H LEU A 64 4.187 -2.956 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 64 2.322 -3.402 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.931 -3.255 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.028 -4.694 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 64 5.568 -3.235 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.546 -4.605 -4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.150 -3.487 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.736 -5.212 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.764 -5.514 -5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.886 -6.155 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.066 -5.058 -5.547 1.00 0.00 H new ATOM 784 N PHE A 65 2.884 -1.588 -1.606 1.00 0.00 N ATOM 785 CA PHE A 65 2.845 -0.380 -0.784 1.00 0.00 C ATOM 786 C PHE A 65 3.165 -0.700 0.680 1.00 0.00 C ATOM 787 O PHE A 65 3.149 -1.864 1.083 1.00 0.00 O ATOM 788 CB PHE A 65 1.461 0.275 -0.879 1.00 0.00 C ATOM 789 CG PHE A 65 0.437 -0.365 0.014 1.00 0.00 C ATOM 790 CD1 PHE A 65 0.307 0.045 1.329 1.00 0.00 C ATOM 791 CD2 PHE A 65 -0.378 -1.381 -0.454 1.00 0.00 C ATOM 792 CE1 PHE A 65 -0.611 -0.545 2.164 1.00 0.00 C ATOM 793 CE2 PHE A 65 -1.305 -1.977 0.376 1.00 0.00 C ATOM 794 CZ PHE A 65 -1.423 -1.560 1.691 1.00 0.00 C ATOM 0 H PHE A 65 2.594 -2.437 -1.121 1.00 0.00 H new ATOM 0 HA PHE A 65 3.601 0.310 -1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.548 1.331 -0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.114 0.226 -1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.935 0.839 1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.287 -1.710 -1.479 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.698 -0.216 3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.938 -2.768 0.001 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.146 -2.025 2.345 1.00 0.00 H new ATOM 804 N PRO A 66 3.444 0.332 1.505 1.00 0.00 N ATOM 805 CA PRO A 66 3.750 0.149 2.929 1.00 0.00 C ATOM 806 C PRO A 66 2.489 0.003 3.780 1.00 0.00 C ATOM 807 O PRO A 66 1.793 0.985 4.043 1.00 0.00 O ATOM 808 CB PRO A 66 4.458 1.451 3.280 1.00 0.00 C ATOM 809 CG PRO A 66 3.762 2.457 2.436 1.00 0.00 C ATOM 810 CD PRO A 66 3.483 1.765 1.129 1.00 0.00 C ATOM 0 HA PRO A 66 4.331 -0.754 3.116 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.368 1.684 4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.523 1.403 3.053 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.838 2.792 2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.383 3.341 2.287 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.539 2.093 0.694 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.261 1.967 0.393 1.00 0.00 H new ATOM 818 N ALA A 67 2.197 -1.217 4.217 1.00 0.00 N ATOM 819 CA ALA A 67 1.020 -1.459 5.044 1.00 0.00 C ATOM 820 C ALA A 67 1.176 -0.800 6.411 1.00 0.00 C ATOM 821 O ALA A 67 0.236 -0.763 7.205 1.00 0.00 O ATOM 822 CB ALA A 67 0.767 -2.950 5.197 1.00 0.00 C ATOM 0 H ALA A 67 2.754 -2.048 4.015 1.00 0.00 H new ATOM 0 HA ALA A 67 0.159 -1.015 4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.115 -3.108 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.604 -3.394 4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.631 -3.419 5.669 1.00 0.00 H new ATOM 828 N ASN A 68 2.371 -0.280 6.675 1.00 0.00 N ATOM 829 CA ASN A 68 2.659 0.380 7.943 1.00 0.00 C ATOM 830 C ASN A 68 2.429 1.886 7.841 1.00 0.00 C ATOM 831 O ASN A 68 2.011 2.523 8.809 1.00 0.00 O ATOM 832 CB ASN A 68 4.105 0.091 8.369 1.00 0.00 C ATOM 833 CG ASN A 68 4.870 1.344 8.754 1.00 0.00 C ATOM 834 OD1 ASN A 68 5.039 1.644 9.936 1.00 0.00 O ATOM 835 ND2 ASN A 68 5.339 2.083 7.754 1.00 0.00 N ATOM 0 H ASN A 68 3.157 -0.303 6.025 1.00 0.00 H new ATOM 0 HA ASN A 68 1.979 -0.016 8.697 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.099 -0.598 9.213 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.626 -0.410 7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.862 2.936 7.952 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.176 1.797 6.789 1.00 0.00 H new ATOM 842 N TYR A 69 2.708 2.452 6.669 1.00 0.00 N ATOM 843 CA TYR A 69 2.535 3.885 6.456 1.00 0.00 C ATOM 844 C TYR A 69 1.060 4.253 6.347 1.00 0.00 C ATOM 845 O TYR A 69 0.638 5.298 6.842 1.00 0.00 O ATOM 846 CB TYR A 69 3.278 4.335 5.199 1.00 0.00 C ATOM 847 CG TYR A 69 3.945 5.682 5.347 1.00 0.00 C ATOM 848 CD1 TYR A 69 5.004 5.859 6.228 1.00 0.00 C ATOM 849 CD2 TYR A 69 3.518 6.776 4.608 1.00 0.00 C ATOM 850 CE1 TYR A 69 5.617 7.089 6.369 1.00 0.00 C ATOM 851 CE2 TYR A 69 4.126 8.010 4.742 1.00 0.00 C ATOM 852 CZ TYR A 69 5.175 8.161 5.623 1.00 0.00 C ATOM 853 OH TYR A 69 5.783 9.388 5.761 1.00 0.00 O ATOM 0 H TYR A 69 3.053 1.942 5.856 1.00 0.00 H new ATOM 0 HA TYR A 69 2.954 4.400 7.320 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.032 3.590 4.945 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.576 4.375 4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.354 5.021 6.813 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.697 6.661 3.916 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.438 7.210 7.060 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.781 8.851 4.159 1.00 0.00 H new ATOM 0 HH TYR A 69 5.353 10.035 5.164 1.00 0.00 H new ATOM 863 N VAL A 70 0.279 3.399 5.692 1.00 0.00 N ATOM 864 CA VAL A 70 -1.146 3.662 5.523 1.00 0.00 C ATOM 865 C VAL A 70 -2.000 2.533 6.100 1.00 0.00 C ATOM 866 O VAL A 70 -1.589 1.372 6.116 1.00 0.00 O ATOM 867 CB VAL A 70 -1.501 3.867 4.036 1.00 0.00 C ATOM 868 CG1 VAL A 70 -0.476 4.769 3.369 1.00 0.00 C ATOM 869 CG2 VAL A 70 -1.594 2.533 3.307 1.00 0.00 C ATOM 0 H VAL A 70 0.605 2.528 5.273 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.365 4.578 6.072 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.478 4.348 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.739 4.905 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.464 5.738 3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.511 4.312 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.845 2.707 2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.636 2.017 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.367 1.919 3.769 1.00 0.00 H new ATOM 879 N ALA A 71 -3.190 2.891 6.579 1.00 0.00 N ATOM 880 CA ALA A 71 -4.112 1.922 7.167 1.00 0.00 C ATOM 881 C ALA A 71 -5.236 1.586 6.191 1.00 0.00 C ATOM 882 O ALA A 71 -5.694 2.453 5.449 1.00 0.00 O ATOM 883 CB ALA A 71 -4.682 2.463 8.470 1.00 0.00 C ATOM 0 H ALA A 71 -3.539 3.849 6.571 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.561 1.006 7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.368 1.732 8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.870 2.653 9.171 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.218 3.392 8.275 1.00 0.00 H new ATOM 889 N PRO A 72 -5.691 0.318 6.166 1.00 0.00 N ATOM 890 CA PRO A 72 -6.753 -0.120 5.254 1.00 0.00 C ATOM 891 C PRO A 72 -8.025 0.706 5.350 1.00 0.00 C ATOM 892 O PRO A 72 -8.125 1.645 6.139 1.00 0.00 O ATOM 893 CB PRO A 72 -7.025 -1.562 5.678 1.00 0.00 C ATOM 894 CG PRO A 72 -5.756 -2.010 6.302 1.00 0.00 C ATOM 895 CD PRO A 72 -5.198 -0.796 7.000 1.00 0.00 C ATOM 0 HA PRO A 72 -6.439 -0.010 4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.855 -1.619 6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.288 -2.184 4.823 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.931 -2.822 7.008 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.061 -2.385 5.551 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.555 -0.721 8.027 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.109 -0.819 7.042 1.00 0.00 H new ATOM 903 N MET A 73 -8.988 0.341 4.518 1.00 0.00 N ATOM 904 CA MET A 73 -10.266 1.024 4.461 1.00 0.00 C ATOM 905 C MET A 73 -11.404 0.019 4.349 1.00 0.00 C ATOM 906 O MET A 73 -11.688 -0.491 3.264 1.00 0.00 O ATOM 907 CB MET A 73 -10.286 1.963 3.261 1.00 0.00 C ATOM 908 CG MET A 73 -11.153 3.195 3.460 1.00 0.00 C ATOM 909 SD MET A 73 -12.903 2.867 3.173 1.00 0.00 S ATOM 910 CE MET A 73 -13.197 3.856 1.709 1.00 0.00 C ATOM 0 H MET A 73 -8.903 -0.437 3.864 1.00 0.00 H new ATOM 0 HA MET A 73 -10.401 1.598 5.378 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.266 2.279 3.042 1.00 0.00 H new ATOM 0 HB3 MET A 73 -10.644 1.415 2.389 1.00 0.00 H new ATOM 0 HG2 MET A 73 -11.019 3.569 4.475 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.819 3.982 2.784 1.00 0.00 H new ATOM 0 HE1 MET A 73 -14.216 4.243 1.730 1.00 0.00 H new ATOM 0 HE2 MET A 73 -12.493 4.688 1.685 1.00 0.00 H new ATOM 0 HE3 MET A 73 -13.061 3.240 0.820 1.00 0.00 H new ATOM 920 N MET A 74 -12.054 -0.268 5.471 1.00 0.00 N ATOM 921 CA MET A 74 -13.158 -1.216 5.478 1.00 0.00 C ATOM 922 C MET A 74 -14.387 -0.615 4.808 1.00 0.00 C ATOM 923 O MET A 74 -15.060 0.244 5.377 1.00 0.00 O ATOM 924 CB MET A 74 -13.492 -1.633 6.911 1.00 0.00 C ATOM 925 CG MET A 74 -14.191 -2.979 7.004 1.00 0.00 C ATOM 926 SD MET A 74 -15.822 -2.867 7.766 1.00 0.00 S ATOM 927 CE MET A 74 -16.132 -4.587 8.156 1.00 0.00 C ATOM 0 H MET A 74 -11.837 0.140 6.380 1.00 0.00 H new ATOM 0 HA MET A 74 -12.854 -2.099 4.916 1.00 0.00 H new ATOM 0 HB2 MET A 74 -12.572 -1.670 7.494 1.00 0.00 H new ATOM 0 HB3 MET A 74 -14.126 -0.871 7.364 1.00 0.00 H new ATOM 0 HG2 MET A 74 -14.290 -3.402 6.004 1.00 0.00 H new ATOM 0 HG3 MET A 74 -13.572 -3.666 7.581 1.00 0.00 H new ATOM 0 HE1 MET A 74 -17.074 -4.673 8.697 1.00 0.00 H new ATOM 0 HE2 MET A 74 -16.189 -5.165 7.233 1.00 0.00 H new ATOM 0 HE3 MET A 74 -15.321 -4.972 8.775 1.00 0.00 H new ATOM 937 N ARG A 75 -14.672 -1.074 3.593 1.00 0.00 N ATOM 938 CA ARG A 75 -15.820 -0.583 2.841 1.00 0.00 C ATOM 939 C ARG A 75 -17.077 -1.372 3.187 1.00 0.00 C ATOM 940 O ARG A 75 -18.113 -1.154 2.526 1.00 0.00 O ATOM 941 CB ARG A 75 -15.546 -0.672 1.338 1.00 0.00 C ATOM 942 CG ARG A 75 -14.683 0.462 0.809 1.00 0.00 C ATOM 943 CD ARG A 75 -14.669 0.488 -0.711 1.00 0.00 C ATOM 944 NE ARG A 75 -15.847 1.155 -1.258 1.00 0.00 N ATOM 945 CZ ARG A 75 -15.842 2.402 -1.722 1.00 0.00 C ATOM 946 NH1 ARG A 75 -14.723 3.115 -1.705 1.00 0.00 N ATOM 947 NH2 ARG A 75 -16.956 2.936 -2.204 1.00 0.00 N ATOM 948 OXT ARG A 75 -17.016 -2.202 4.119 1.00 0.00 O ATOM 0 H ARG A 75 -14.123 -1.785 3.109 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.982 0.460 3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.056 -1.621 1.122 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.496 -0.674 0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.058 1.413 1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.665 0.350 1.182 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.770 0.999 -1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.621 -0.533 -1.091 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.724 0.635 -1.286 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.864 2.707 -1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.722 4.071 -2.061 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.818 2.391 -2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.951 3.892 -2.559 1.00 0.00 H new TER 962 ARG A 75 ATOM 963 N ALA B 76 5.514 8.171 13.571 1.00 0.00 N ATOM 964 CA ALA B 76 5.890 8.191 12.134 1.00 0.00 C ATOM 965 C ALA B 76 6.212 6.787 11.629 1.00 0.00 C ATOM 966 O ALA B 76 7.318 6.286 11.834 1.00 0.00 O ATOM 967 CB ALA B 76 7.077 9.116 11.911 1.00 0.00 C ATOM 0 HA ALA B 76 5.037 8.567 11.568 1.00 0.00 H new ATOM 0 HB1 ALA B 76 7.341 9.120 10.854 1.00 0.00 H new ATOM 0 HB2 ALA B 76 6.814 10.127 12.224 1.00 0.00 H new ATOM 0 HB3 ALA B 76 7.927 8.765 12.496 1.00 0.00 H new ATOM 975 N PRO B 77 5.244 6.131 10.962 1.00 0.00 N ATOM 976 CA PRO B 77 5.427 4.778 10.426 1.00 0.00 C ATOM 977 C PRO B 77 6.687 4.645 9.577 1.00 0.00 C ATOM 978 O PRO B 77 6.903 5.417 8.643 1.00 0.00 O ATOM 979 CB PRO B 77 4.184 4.568 9.560 1.00 0.00 C ATOM 980 CG PRO B 77 3.152 5.460 10.153 1.00 0.00 C ATOM 981 CD PRO B 77 3.895 6.659 10.678 1.00 0.00 C ATOM 0 HA PRO B 77 5.544 4.044 11.223 1.00 0.00 H new ATOM 0 HB2 PRO B 77 4.379 4.826 8.519 1.00 0.00 H new ATOM 0 HB3 PRO B 77 3.863 3.527 9.575 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.414 5.754 9.406 1.00 0.00 H new ATOM 0 HG3 PRO B 77 2.612 4.954 10.953 1.00 0.00 H new ATOM 0 HD2 PRO B 77 3.926 7.465 9.945 1.00 0.00 H new ATOM 0 HD3 PRO B 77 3.425 7.062 11.575 1.00 0.00 H new ATOM 989 N SER B 78 7.510 3.654 9.904 1.00 0.00 N ATOM 990 CA SER B 78 8.746 3.409 9.169 1.00 0.00 C ATOM 991 C SER B 78 8.690 2.063 8.463 1.00 0.00 C ATOM 992 O SER B 78 8.545 1.019 9.100 1.00 0.00 O ATOM 993 CB SER B 78 9.950 3.461 10.110 1.00 0.00 C ATOM 994 OG SER B 78 11.163 3.526 9.384 1.00 0.00 O ATOM 0 H SER B 78 7.343 3.007 10.674 1.00 0.00 H new ATOM 0 HA SER B 78 8.857 4.192 8.418 1.00 0.00 H new ATOM 0 HB2 SER B 78 9.867 4.329 10.764 1.00 0.00 H new ATOM 0 HB3 SER B 78 9.953 2.579 10.750 1.00 0.00 H new ATOM 0 HG SER B 78 11.917 3.560 10.009 1.00 0.00 H new ATOM 1000 N ILE B 79 8.796 2.097 7.141 1.00 0.00 N ATOM 1001 CA ILE B 79 8.745 0.884 6.342 1.00 0.00 C ATOM 1002 C ILE B 79 10.084 0.610 5.656 1.00 0.00 C ATOM 1003 O ILE B 79 10.711 1.514 5.101 1.00 0.00 O ATOM 1004 CB ILE B 79 7.605 0.962 5.296 1.00 0.00 C ATOM 1005 CG1 ILE B 79 6.474 0.007 5.689 1.00 0.00 C ATOM 1006 CG2 ILE B 79 8.110 0.662 3.890 1.00 0.00 C ATOM 1007 CD1 ILE B 79 6.776 -1.452 5.417 1.00 0.00 C ATOM 0 H ILE B 79 8.918 2.953 6.601 1.00 0.00 H new ATOM 0 HA ILE B 79 8.539 0.054 7.017 1.00 0.00 H new ATOM 0 HB ILE B 79 7.220 1.982 5.285 1.00 0.00 H new ATOM 0 HG12 ILE B 79 6.260 0.131 6.751 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.571 0.287 5.147 1.00 0.00 H new ATOM 0 HG21 ILE B 79 7.282 0.726 3.184 1.00 0.00 H new ATOM 0 HG22 ILE B 79 8.877 1.387 3.616 1.00 0.00 H new ATOM 0 HG23 ILE B 79 8.533 -0.342 3.862 1.00 0.00 H new ATOM 0 HD11 ILE B 79 5.926 -2.063 5.723 1.00 0.00 H new ATOM 0 HD12 ILE B 79 6.960 -1.593 4.352 1.00 0.00 H new ATOM 0 HD13 ILE B 79 7.660 -1.752 5.980 1.00 0.00 H new ATOM 1019 N ASP B 80 10.510 -0.647 5.707 1.00 0.00 N ATOM 1020 CA ASP B 80 11.770 -1.064 5.099 1.00 0.00 C ATOM 1021 C ASP B 80 11.520 -1.967 3.894 1.00 0.00 C ATOM 1022 O ASP B 80 10.698 -2.879 3.951 1.00 0.00 O ATOM 1023 CB ASP B 80 12.638 -1.795 6.124 1.00 0.00 C ATOM 1024 CG ASP B 80 12.551 -1.172 7.504 1.00 0.00 C ATOM 1025 OD1 ASP B 80 12.706 0.064 7.606 1.00 0.00 O ATOM 1026 OD2 ASP B 80 12.329 -1.918 8.480 1.00 0.00 O ATOM 0 H ASP B 80 9.998 -1.400 6.166 1.00 0.00 H new ATOM 0 HA ASP B 80 12.294 -0.170 4.760 1.00 0.00 H new ATOM 0 HB2 ASP B 80 12.329 -2.839 6.179 1.00 0.00 H new ATOM 0 HB3 ASP B 80 13.675 -1.787 5.789 1.00 0.00 H new ATOM 1031 N ARG B 81 12.232 -1.702 2.804 1.00 0.00 N ATOM 1032 CA ARG B 81 12.086 -2.487 1.581 1.00 0.00 C ATOM 1033 C ARG B 81 12.664 -3.892 1.748 1.00 0.00 C ATOM 1034 O ARG B 81 12.545 -4.732 0.855 1.00 0.00 O ATOM 1035 CB ARG B 81 12.774 -1.771 0.417 1.00 0.00 C ATOM 1036 CG ARG B 81 12.205 -0.389 0.141 1.00 0.00 C ATOM 1037 CD ARG B 81 11.939 -0.180 -1.340 1.00 0.00 C ATOM 1038 NE ARG B 81 13.122 0.302 -2.045 1.00 0.00 N ATOM 1039 CZ ARG B 81 13.838 -0.443 -2.881 1.00 0.00 C ATOM 1040 NH1 ARG B 81 13.493 -1.703 -3.113 1.00 0.00 N ATOM 1041 NH2 ARG B 81 14.900 0.071 -3.485 1.00 0.00 N ATOM 0 H ARG B 81 12.917 -0.949 2.741 1.00 0.00 H new ATOM 0 HA ARG B 81 11.022 -2.586 1.368 1.00 0.00 H new ATOM 0 HB2 ARG B 81 13.839 -1.682 0.633 1.00 0.00 H new ATOM 0 HB3 ARG B 81 12.681 -2.381 -0.482 1.00 0.00 H new ATOM 0 HG2 ARG B 81 11.278 -0.258 0.700 1.00 0.00 H new ATOM 0 HG3 ARG B 81 12.902 0.370 0.497 1.00 0.00 H new ATOM 0 HD2 ARG B 81 11.609 -1.119 -1.785 1.00 0.00 H new ATOM 0 HD3 ARG B 81 11.126 0.535 -1.465 1.00 0.00 H new ATOM 0 HE ARG B 81 13.416 1.266 -1.887 1.00 0.00 H new ATOM 0 HH11 ARG B 81 12.677 -2.102 -2.649 1.00 0.00 H new ATOM 0 HH12 ARG B 81 14.044 -2.273 -3.755 1.00 0.00 H new ATOM 0 HH21 ARG B 81 15.168 1.039 -3.308 1.00 0.00 H new ATOM 0 HH22 ARG B 81 15.449 -0.502 -4.126 1.00 0.00 H new ATOM 1055 N SER B 82 13.293 -4.140 2.892 1.00 0.00 N ATOM 1056 CA SER B 82 13.894 -5.443 3.172 1.00 0.00 C ATOM 1057 C SER B 82 12.836 -6.477 3.554 1.00 0.00 C ATOM 1058 O SER B 82 13.166 -7.617 3.884 1.00 0.00 O ATOM 1059 CB SER B 82 14.926 -5.321 4.296 1.00 0.00 C ATOM 1060 OG SER B 82 14.332 -4.829 5.485 1.00 0.00 O ATOM 0 H SER B 82 13.401 -3.457 3.642 1.00 0.00 H new ATOM 0 HA SER B 82 14.388 -5.781 2.261 1.00 0.00 H new ATOM 0 HB2 SER B 82 15.376 -6.295 4.487 1.00 0.00 H new ATOM 0 HB3 SER B 82 15.730 -4.654 3.985 1.00 0.00 H new ATOM 0 HG SER B 82 15.012 -4.762 6.187 1.00 0.00 H new ATOM 1066 N THR B 83 11.570 -6.076 3.514 1.00 0.00 N ATOM 1067 CA THR B 83 10.475 -6.978 3.861 1.00 0.00 C ATOM 1068 C THR B 83 9.397 -6.987 2.780 1.00 0.00 C ATOM 1069 O THR B 83 8.229 -7.271 3.050 1.00 0.00 O ATOM 1070 CB THR B 83 9.844 -6.593 5.214 1.00 0.00 C ATOM 1071 OG1 THR B 83 8.820 -7.530 5.565 1.00 0.00 O ATOM 1072 CG2 THR B 83 9.260 -5.190 5.159 1.00 0.00 C ATOM 0 H THR B 83 11.276 -5.137 3.246 1.00 0.00 H new ATOM 0 HA THR B 83 10.900 -7.979 3.940 1.00 0.00 H new ATOM 0 HB THR B 83 10.627 -6.614 5.972 1.00 0.00 H new ATOM 0 HG1 THR B 83 8.260 -7.711 4.782 1.00 0.00 H new ATOM 0 HG21 THR B 83 8.821 -4.941 6.125 1.00 0.00 H new ATOM 0 HG22 THR B 83 10.050 -4.476 4.925 1.00 0.00 H new ATOM 0 HG23 THR B 83 8.491 -5.146 4.388 1.00 0.00 H new ATOM 1080 N LYS B 84 9.801 -6.680 1.552 1.00 0.00 N ATOM 1081 CA LYS B 84 8.884 -6.657 0.420 1.00 0.00 C ATOM 1082 C LYS B 84 8.343 -8.061 0.136 1.00 0.00 C ATOM 1083 O LYS B 84 8.908 -9.050 0.602 1.00 0.00 O ATOM 1084 CB LYS B 84 9.616 -6.111 -0.807 1.00 0.00 C ATOM 1085 CG LYS B 84 9.284 -4.661 -1.122 1.00 0.00 C ATOM 1086 CD LYS B 84 10.539 -3.848 -1.409 1.00 0.00 C ATOM 1087 CE LYS B 84 11.066 -4.084 -2.820 1.00 0.00 C ATOM 1088 NZ LYS B 84 10.156 -4.942 -3.631 1.00 0.00 N ATOM 0 H LYS B 84 10.764 -6.442 1.315 1.00 0.00 H new ATOM 0 HA LYS B 84 8.038 -6.012 0.656 1.00 0.00 H new ATOM 0 HB2 LYS B 84 10.691 -6.202 -0.648 1.00 0.00 H new ATOM 0 HB3 LYS B 84 9.368 -6.727 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS B 84 8.618 -4.619 -1.983 1.00 0.00 H new ATOM 0 HG3 LYS B 84 8.748 -4.219 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS B 84 10.322 -2.788 -1.276 1.00 0.00 H new ATOM 0 HD3 LYS B 84 11.312 -4.108 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS B 84 11.198 -3.125 -3.321 1.00 0.00 H new ATOM 0 HE3 LYS B 84 12.049 -4.553 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 10.582 -5.115 -4.564 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 10.009 -5.849 -3.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 9.242 -4.461 -3.752 1.00 0.00 H new ATOM 1102 N PRO B 85 7.235 -8.172 -0.630 1.00 0.00 N ATOM 1103 CA PRO B 85 6.634 -9.471 -0.960 1.00 0.00 C ATOM 1104 C PRO B 85 7.659 -10.474 -1.480 1.00 0.00 C ATOM 1105 O PRO B 85 8.206 -10.307 -2.571 1.00 0.00 O ATOM 1106 CB PRO B 85 5.624 -9.124 -2.055 1.00 0.00 C ATOM 1107 CG PRO B 85 5.247 -7.711 -1.782 1.00 0.00 C ATOM 1108 CD PRO B 85 6.482 -7.052 -1.231 1.00 0.00 C ATOM 0 HA PRO B 85 6.192 -9.948 -0.085 1.00 0.00 H new ATOM 0 HB2 PRO B 85 6.062 -9.233 -3.047 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.755 -9.781 -2.016 1.00 0.00 H new ATOM 0 HG2 PRO B 85 4.912 -7.214 -2.692 1.00 0.00 H new ATOM 0 HG3 PRO B 85 4.425 -7.657 -1.069 1.00 0.00 H new ATOM 0 HD2 PRO B 85 7.056 -6.558 -2.015 1.00 0.00 H new ATOM 0 HD3 PRO B 85 6.234 -6.292 -0.490 1.00 0.00 H new ATOM 1116 N ALA B 86 7.913 -11.516 -0.695 1.00 0.00 N ATOM 1117 CA ALA B 86 8.872 -12.545 -1.078 1.00 0.00 C ATOM 1118 C ALA B 86 8.216 -13.921 -1.115 1.00 0.00 C ATOM 1119 O ALA B 86 8.952 -14.929 -1.088 1.00 0.00 O ATOM 1120 CB ALA B 86 10.052 -12.547 -0.118 1.00 0.00 C ATOM 1121 OXT ALA B 86 6.969 -13.979 -1.169 1.00 0.00 O ATOM 0 H ALA B 86 7.468 -11.670 0.210 1.00 0.00 H new ATOM 0 HA ALA B 86 9.232 -12.317 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA B 86 10.761 -13.320 -0.415 1.00 0.00 H new ATOM 0 HB2 ALA B 86 10.543 -11.574 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA B 86 9.698 -12.748 0.893 1.00 0.00 H new TER 1127 ALA B 86