USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 658 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 72 MET CE :methyl -119:sc= 0 (180deg=-0.197) USER MOD Set 1.2: A 75 MET CE :methyl -121:sc= 0 (180deg=-0.0044) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 13 CYS SG : rot 180:sc= -0.0164 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc=-0.00275 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= 0.921 K(o=0.92,f=-3.4!) USER MOD Single : A 15 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 52 MET CE :methyl 179:sc= -0.0538 (180deg=-0.0614) USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0174) USER MOD Single : A 61 MET CE :methyl -161:sc= -0.053 (180deg=-0.544) USER MOD Single : A 66 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.49) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.29) USER MOD Single : A 74 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.8) USER MOD Single : A 83 SER OG : rot 56:sc= 1.22 USER MOD Single : A 87 SER OG : rot -74:sc= 1.3 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 124:sc= 1.63 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 2 10.429 6.169 6.619 1.00 1.19 N ATOM 13 CA GLY A 2 9.269 5.297 6.425 1.00 0.72 C ATOM 14 C GLY A 2 8.570 4.828 7.703 1.00 0.72 C ATOM 15 O GLY A 2 7.350 4.953 7.764 1.00 0.78 O ATOM 0 HA2 GLY A 2 8.541 5.823 5.807 1.00 0.72 H new ATOM 0 HA3 GLY A 2 9.588 4.419 5.864 1.00 0.72 H new ATOM 19 N GLU A 3 9.268 4.367 8.747 1.00 0.76 N ATOM 20 CA GLU A 3 8.588 3.863 9.960 1.00 0.80 C ATOM 21 C GLU A 3 7.834 4.977 10.707 1.00 0.85 C ATOM 22 O GLU A 3 6.641 4.843 10.997 1.00 0.80 O ATOM 23 CB GLU A 3 9.573 3.150 10.903 1.00 0.98 C ATOM 24 CG GLU A 3 8.839 2.528 12.102 1.00 1.36 C ATOM 25 CD GLU A 3 9.774 1.806 13.074 1.00 2.27 C ATOM 26 OE1 GLU A 3 10.398 0.790 12.702 1.00 3.14 O ATOM 27 OE2 GLU A 3 9.887 2.273 14.234 1.00 2.97 O ATOM 0 H GLU A 3 10.287 4.330 8.784 1.00 0.76 H new ATOM 0 HA GLU A 3 7.850 3.135 9.623 1.00 0.80 H new ATOM 0 HB2 GLU A 3 10.107 2.373 10.356 1.00 0.98 H new ATOM 0 HB3 GLU A 3 10.320 3.860 11.258 1.00 0.98 H new ATOM 0 HG2 GLU A 3 8.303 3.312 12.638 1.00 1.36 H new ATOM 0 HG3 GLU A 3 8.092 1.824 11.736 1.00 1.36 H new ATOM 34 N GLN A 4 8.493 6.107 10.983 1.00 1.05 N ATOM 35 CA GLN A 4 7.863 7.234 11.685 1.00 1.23 C ATOM 36 C GLN A 4 6.792 7.943 10.828 1.00 1.22 C ATOM 37 O GLN A 4 5.912 8.613 11.368 1.00 1.38 O ATOM 38 CB GLN A 4 8.934 8.223 12.166 1.00 1.57 C ATOM 39 CG GLN A 4 9.916 7.605 13.183 1.00 2.71 C ATOM 40 CD GLN A 4 10.944 8.604 13.704 1.00 3.24 C ATOM 41 OE1 GLN A 4 10.793 9.816 13.602 1.00 3.10 O ATOM 42 NE2 GLN A 4 12.017 8.158 14.308 1.00 4.51 N ATOM 0 H GLN A 4 9.468 6.267 10.730 1.00 1.05 H new ATOM 0 HA GLN A 4 7.341 6.828 12.552 1.00 1.23 H new ATOM 0 HB2 GLN A 4 9.494 8.589 11.306 1.00 1.57 H new ATOM 0 HB3 GLN A 4 8.446 9.086 12.619 1.00 1.57 H new ATOM 0 HG2 GLN A 4 9.352 7.201 14.024 1.00 2.71 H new ATOM 0 HG3 GLN A 4 10.435 6.768 12.716 1.00 2.71 H new ATOM 0 HE21 GLN A 4 12.167 7.154 14.406 1.00 4.51 H new ATOM 0 HE22 GLN A 4 12.703 8.815 14.680 1.00 4.51 H new ATOM 51 N ILE A 5 6.835 7.759 9.502 1.00 1.13 N ATOM 52 CA ILE A 5 5.793 8.192 8.556 1.00 1.14 C ATOM 53 C ILE A 5 4.589 7.246 8.640 1.00 1.01 C ATOM 54 O ILE A 5 3.455 7.699 8.784 1.00 1.10 O ATOM 55 CB ILE A 5 6.365 8.254 7.115 1.00 1.16 C ATOM 56 CG1 ILE A 5 7.549 9.244 7.022 1.00 1.29 C ATOM 57 CG2 ILE A 5 5.269 8.639 6.104 1.00 1.21 C ATOM 58 CD1 ILE A 5 8.279 9.205 5.672 1.00 1.27 C ATOM 0 H ILE A 5 7.617 7.292 9.043 1.00 1.13 H new ATOM 0 HA ILE A 5 5.458 9.194 8.822 1.00 1.14 H new ATOM 0 HB ILE A 5 6.733 7.259 6.867 1.00 1.16 H new ATOM 0 HG12 ILE A 5 7.181 10.255 7.197 1.00 1.29 H new ATOM 0 HG13 ILE A 5 8.261 9.022 7.817 1.00 1.29 H new ATOM 0 HG21 ILE A 5 5.695 8.676 5.102 1.00 1.21 H new ATOM 0 HG22 ILE A 5 4.471 7.897 6.132 1.00 1.21 H new ATOM 0 HG23 ILE A 5 4.864 9.617 6.362 1.00 1.21 H new ATOM 0 HD11 ILE A 5 9.097 9.925 5.680 1.00 1.27 H new ATOM 0 HD12 ILE A 5 8.678 8.205 5.503 1.00 1.27 H new ATOM 0 HD13 ILE A 5 7.581 9.457 4.874 1.00 1.27 H new ATOM 70 N PHE A 6 4.819 5.929 8.615 1.00 0.83 N ATOM 71 CA PHE A 6 3.776 4.906 8.734 1.00 0.72 C ATOM 72 C PHE A 6 2.931 5.108 10.002 1.00 0.68 C ATOM 73 O PHE A 6 1.703 5.028 9.939 1.00 0.70 O ATOM 74 CB PHE A 6 4.441 3.520 8.701 1.00 0.72 C ATOM 75 CG PHE A 6 3.473 2.366 8.844 1.00 0.79 C ATOM 76 CD1 PHE A 6 3.102 1.913 10.125 1.00 1.42 C ATOM 77 CD2 PHE A 6 2.921 1.762 7.699 1.00 1.49 C ATOM 78 CE1 PHE A 6 2.165 0.876 10.262 1.00 1.52 C ATOM 79 CE2 PHE A 6 1.980 0.728 7.836 1.00 1.69 C ATOM 80 CZ PHE A 6 1.605 0.287 9.116 1.00 1.25 C ATOM 0 H PHE A 6 5.755 5.537 8.509 1.00 0.83 H new ATOM 0 HA PHE A 6 3.085 4.990 7.895 1.00 0.72 H new ATOM 0 HB2 PHE A 6 4.983 3.411 7.761 1.00 0.72 H new ATOM 0 HB3 PHE A 6 5.178 3.463 9.502 1.00 0.72 H new ATOM 0 HD1 PHE A 6 3.539 2.364 11.004 1.00 1.42 H new ATOM 0 HD2 PHE A 6 3.221 2.093 6.716 1.00 1.49 H new ATOM 0 HE1 PHE A 6 1.876 0.533 11.244 1.00 1.52 H new ATOM 0 HE2 PHE A 6 1.545 0.273 6.958 1.00 1.69 H new ATOM 0 HZ PHE A 6 0.882 -0.509 9.220 1.00 1.25 H new ATOM 90 N ARG A 7 3.568 5.481 11.123 1.00 0.73 N ATOM 91 CA ARG A 7 2.926 5.794 12.414 1.00 0.82 C ATOM 92 C ARG A 7 1.778 6.803 12.306 1.00 0.89 C ATOM 93 O ARG A 7 0.791 6.693 13.031 1.00 1.08 O ATOM 94 CB ARG A 7 4.024 6.298 13.369 1.00 0.99 C ATOM 95 CG ARG A 7 3.640 6.300 14.857 1.00 1.19 C ATOM 96 CD ARG A 7 3.361 4.888 15.390 1.00 1.95 C ATOM 97 NE ARG A 7 3.309 4.862 16.860 1.00 2.50 N ATOM 98 CZ ARG A 7 4.364 4.694 17.681 1.00 3.12 C ATOM 99 NH1 ARG A 7 5.612 4.540 17.210 1.00 3.69 N ATOM 100 NH2 ARG A 7 4.162 4.682 19.005 1.00 3.98 N ATOM 0 H ARG A 7 4.583 5.577 11.159 1.00 0.73 H new ATOM 0 HA ARG A 7 2.458 4.887 12.796 1.00 0.82 H new ATOM 0 HB2 ARG A 7 4.911 5.677 13.239 1.00 0.99 H new ATOM 0 HB3 ARG A 7 4.299 7.312 13.079 1.00 0.99 H new ATOM 0 HG2 ARG A 7 4.445 6.752 15.437 1.00 1.19 H new ATOM 0 HG3 ARG A 7 2.756 6.921 15.001 1.00 1.19 H new ATOM 0 HD2 ARG A 7 2.415 4.527 14.986 1.00 1.95 H new ATOM 0 HD3 ARG A 7 4.138 4.207 15.041 1.00 1.95 H new ATOM 0 HE ARG A 7 2.395 4.982 17.296 1.00 2.50 H new ATOM 0 HH11 ARG A 7 5.782 4.548 16.204 1.00 3.69 H new ATOM 0 HH12 ARG A 7 6.390 4.415 17.858 1.00 3.69 H new ATOM 0 HH21 ARG A 7 3.220 4.799 19.378 1.00 3.98 H new ATOM 0 HH22 ARG A 7 4.950 4.556 19.640 1.00 3.98 H new ATOM 114 N THR A 8 1.913 7.778 11.403 1.00 0.87 N ATOM 115 CA THR A 8 0.996 8.917 11.253 1.00 1.04 C ATOM 116 C THR A 8 0.149 8.861 9.971 1.00 0.99 C ATOM 117 O THR A 8 -1.015 9.262 9.992 1.00 1.33 O ATOM 118 CB THR A 8 1.794 10.221 11.418 1.00 1.24 C ATOM 119 OG1 THR A 8 0.923 11.320 11.524 1.00 3.24 O ATOM 120 CG2 THR A 8 2.808 10.525 10.322 1.00 2.13 C ATOM 0 H THR A 8 2.684 7.800 10.736 1.00 0.87 H new ATOM 0 HA THR A 8 0.247 8.870 12.043 1.00 1.04 H new ATOM 0 HB THR A 8 2.368 10.060 12.330 1.00 1.24 H new ATOM 0 HG1 THR A 8 1.445 12.142 11.630 1.00 3.24 H new ATOM 0 HG21 THR A 8 3.311 11.467 10.542 1.00 2.13 H new ATOM 0 HG22 THR A 8 3.545 9.723 10.275 1.00 2.13 H new ATOM 0 HG23 THR A 8 2.295 10.603 9.363 1.00 2.13 H new ATOM 128 N ARG A 9 0.676 8.297 8.873 1.00 0.83 N ATOM 129 CA ARG A 9 -0.017 8.171 7.577 1.00 1.05 C ATOM 130 C ARG A 9 -0.811 6.866 7.398 1.00 0.92 C ATOM 131 O ARG A 9 -1.704 6.842 6.552 1.00 1.09 O ATOM 132 CB ARG A 9 1.004 8.272 6.429 1.00 1.56 C ATOM 133 CG ARG A 9 1.748 9.606 6.269 1.00 1.50 C ATOM 134 CD ARG A 9 0.815 10.801 6.022 1.00 1.18 C ATOM 135 NE ARG A 9 0.571 11.580 7.248 1.00 2.41 N ATOM 136 CZ ARG A 9 1.325 12.609 7.679 1.00 3.18 C ATOM 137 NH1 ARG A 9 2.418 13.017 7.011 1.00 3.45 N ATOM 138 NH2 ARG A 9 0.975 13.245 8.804 1.00 4.80 N ATOM 0 H ARG A 9 1.618 7.906 8.859 1.00 0.83 H new ATOM 0 HA ARG A 9 -0.739 8.987 7.558 1.00 1.05 H new ATOM 0 HB2 ARG A 9 1.746 7.485 6.566 1.00 1.56 H new ATOM 0 HB3 ARG A 9 0.484 8.061 5.495 1.00 1.56 H new ATOM 0 HG2 ARG A 9 2.337 9.794 7.166 1.00 1.50 H new ATOM 0 HG3 ARG A 9 2.449 9.525 5.439 1.00 1.50 H new ATOM 0 HD2 ARG A 9 1.252 11.450 5.263 1.00 1.18 H new ATOM 0 HD3 ARG A 9 -0.135 10.442 5.627 1.00 1.18 H new ATOM 0 HE ARG A 9 -0.234 11.319 7.817 1.00 2.41 H new ATOM 0 HH11 ARG A 9 2.697 12.544 6.152 1.00 3.45 H new ATOM 0 HH12 ARG A 9 2.968 13.800 7.364 1.00 3.45 H new ATOM 0 HH21 ARG A 9 0.148 12.948 9.321 1.00 4.80 H new ATOM 0 HH22 ARG A 9 1.536 14.026 9.144 1.00 4.80 H new ATOM 152 N CYS A 10 -0.475 5.785 8.112 1.00 0.79 N ATOM 153 CA CYS A 10 -0.946 4.424 7.788 1.00 0.81 C ATOM 154 C CYS A 10 -1.419 3.576 8.981 1.00 0.78 C ATOM 155 O CYS A 10 -2.277 2.710 8.804 1.00 0.91 O ATOM 156 CB CYS A 10 0.189 3.642 7.112 1.00 1.01 C ATOM 157 SG CYS A 10 1.089 4.447 5.751 1.00 1.29 S ATOM 0 H CYS A 10 0.131 5.824 8.932 1.00 0.79 H new ATOM 0 HA CYS A 10 -1.813 4.584 7.147 1.00 0.81 H new ATOM 0 HB2 CYS A 10 0.915 3.376 7.880 1.00 1.01 H new ATOM 0 HB3 CYS A 10 -0.229 2.710 6.731 1.00 1.01 H new ATOM 0 HG CYS A 10 2.009 3.644 5.304 1.00 1.29 H new ATOM 162 N SER A 11 -0.859 3.789 10.177 1.00 0.90 N ATOM 163 CA SER A 11 -1.046 2.944 11.367 1.00 1.01 C ATOM 164 C SER A 11 -2.491 2.896 11.888 1.00 1.12 C ATOM 165 O SER A 11 -2.874 1.945 12.575 1.00 1.96 O ATOM 166 CB SER A 11 -0.110 3.444 12.470 1.00 1.14 C ATOM 167 OG SER A 11 0.009 2.495 13.508 1.00 2.28 O ATOM 0 H SER A 11 -0.241 4.582 10.352 1.00 0.90 H new ATOM 0 HA SER A 11 -0.809 1.922 11.072 1.00 1.01 H new ATOM 0 HB2 SER A 11 0.874 3.652 12.049 1.00 1.14 H new ATOM 0 HB3 SER A 11 -0.489 4.383 12.874 1.00 1.14 H new ATOM 0 HG SER A 11 0.614 2.839 14.198 1.00 2.28 H new ATOM 173 N SER A 12 -3.336 3.863 11.507 1.00 1.25 N ATOM 174 CA SER A 12 -4.776 3.847 11.791 1.00 1.41 C ATOM 175 C SER A 12 -5.530 2.662 11.154 1.00 1.18 C ATOM 176 O SER A 12 -6.632 2.344 11.608 1.00 1.38 O ATOM 177 CB SER A 12 -5.412 5.175 11.362 1.00 1.81 C ATOM 178 OG SER A 12 -5.241 5.421 9.974 1.00 3.09 O ATOM 0 H SER A 12 -3.035 4.687 10.987 1.00 1.25 H new ATOM 0 HA SER A 12 -4.870 3.715 12.869 1.00 1.41 H new ATOM 0 HB2 SER A 12 -6.476 5.161 11.600 1.00 1.81 H new ATOM 0 HB3 SER A 12 -4.968 5.991 11.933 1.00 1.81 H new ATOM 0 HG SER A 12 -5.661 6.275 9.739 1.00 3.09 H new ATOM 184 N CYS A 13 -4.950 1.981 10.158 1.00 0.95 N ATOM 185 CA CYS A 13 -5.586 0.863 9.439 1.00 0.89 C ATOM 186 C CYS A 13 -4.652 -0.314 9.093 1.00 0.99 C ATOM 187 O CYS A 13 -5.049 -1.163 8.290 1.00 1.40 O ATOM 188 CB CYS A 13 -6.190 1.382 8.131 1.00 0.84 C ATOM 189 SG CYS A 13 -7.323 2.802 8.195 1.00 0.85 S ATOM 0 H CYS A 13 -4.011 2.192 9.821 1.00 0.95 H new ATOM 0 HA CYS A 13 -6.336 0.473 10.128 1.00 0.89 H new ATOM 0 HB2 CYS A 13 -5.366 1.647 7.469 1.00 0.84 H new ATOM 0 HB3 CYS A 13 -6.723 0.555 7.662 1.00 0.84 H new ATOM 0 HG CYS A 13 -7.724 3.091 6.993 1.00 0.85 H new ATOM 194 N HIS A 14 -3.411 -0.343 9.603 1.00 0.96 N ATOM 195 CA HIS A 14 -2.387 -1.320 9.198 1.00 1.03 C ATOM 196 C HIS A 14 -1.336 -1.682 10.260 1.00 0.97 C ATOM 197 O HIS A 14 -1.156 -1.025 11.289 1.00 1.15 O ATOM 198 CB HIS A 14 -1.651 -0.793 7.951 1.00 1.38 C ATOM 199 CG HIS A 14 -2.431 -0.926 6.687 1.00 0.73 C ATOM 200 ND1 HIS A 14 -3.117 -2.030 6.257 1.00 1.53 N ATOM 201 CD2 HIS A 14 -2.565 0.047 5.760 1.00 1.17 C ATOM 202 CE1 HIS A 14 -3.676 -1.712 5.078 1.00 1.78 C ATOM 203 NE2 HIS A 14 -3.363 -0.445 4.715 1.00 0.65 N ATOM 0 H HIS A 14 -3.087 0.315 10.312 1.00 0.96 H new ATOM 0 HA HIS A 14 -2.943 -2.239 9.011 1.00 1.03 H new ATOM 0 HB2 HIS A 14 -1.403 0.257 8.104 1.00 1.38 H new ATOM 0 HB3 HIS A 14 -0.709 -1.330 7.843 1.00 1.38 H new ATOM 0 HD1 HIS A 14 -3.190 -2.925 6.741 1.00 1.53 H new ATOM 0 HD2 HIS A 14 -2.132 1.035 5.813 1.00 1.17 H new ATOM 0 HE1 HIS A 14 -4.294 -2.379 4.496 1.00 1.78 H new ATOM 211 N THR A 15 -0.565 -2.702 9.880 1.00 0.95 N ATOM 212 CA THR A 15 0.657 -3.218 10.522 1.00 0.97 C ATOM 213 C THR A 15 1.673 -3.673 9.458 1.00 0.91 C ATOM 214 O THR A 15 1.300 -3.970 8.319 1.00 0.98 O ATOM 215 CB THR A 15 0.343 -4.395 11.465 1.00 1.15 C ATOM 216 OG1 THR A 15 -0.397 -5.390 10.807 1.00 1.59 O ATOM 217 CG2 THR A 15 -0.481 -3.994 12.688 1.00 1.33 C ATOM 0 H THR A 15 -0.795 -3.238 9.043 1.00 0.95 H new ATOM 0 HA THR A 15 1.084 -2.406 11.111 1.00 0.97 H new ATOM 0 HB THR A 15 1.321 -4.755 11.783 1.00 1.15 H new ATOM 0 HG1 THR A 15 0.190 -5.885 10.197 1.00 1.59 H new ATOM 0 HG21 THR A 15 -0.664 -4.872 13.307 1.00 1.33 H new ATOM 0 HG22 THR A 15 0.066 -3.250 13.267 1.00 1.33 H new ATOM 0 HG23 THR A 15 -1.433 -3.574 12.363 1.00 1.33 H new ATOM 225 N VAL A 16 2.962 -3.738 9.809 1.00 0.95 N ATOM 226 CA VAL A 16 4.051 -4.278 8.966 1.00 0.98 C ATOM 227 C VAL A 16 4.760 -5.407 9.718 1.00 1.12 C ATOM 228 O VAL A 16 5.915 -5.296 10.129 1.00 1.58 O ATOM 229 CB VAL A 16 5.023 -3.184 8.457 1.00 1.05 C ATOM 230 CG1 VAL A 16 5.917 -3.733 7.332 1.00 1.57 C ATOM 231 CG2 VAL A 16 4.280 -1.970 7.886 1.00 1.38 C ATOM 0 H VAL A 16 3.294 -3.407 10.715 1.00 0.95 H new ATOM 0 HA VAL A 16 3.612 -4.691 8.058 1.00 0.98 H new ATOM 0 HB VAL A 16 5.615 -2.882 9.321 1.00 1.05 H new ATOM 0 HG11 VAL A 16 6.592 -2.949 6.989 1.00 1.57 H new ATOM 0 HG12 VAL A 16 6.499 -4.574 7.708 1.00 1.57 H new ATOM 0 HG13 VAL A 16 5.294 -4.065 6.501 1.00 1.57 H new ATOM 0 HG21 VAL A 16 5.003 -1.230 7.542 1.00 1.38 H new ATOM 0 HG22 VAL A 16 3.657 -2.285 7.049 1.00 1.38 H new ATOM 0 HG23 VAL A 16 3.652 -1.531 8.661 1.00 1.38 H new ATOM 241 N GLY A 17 4.022 -6.501 9.926 1.00 0.97 N ATOM 242 CA GLY A 17 4.496 -7.733 10.575 1.00 1.18 C ATOM 243 C GLY A 17 3.716 -8.190 11.815 1.00 1.32 C ATOM 244 O GLY A 17 4.164 -9.123 12.477 1.00 1.64 O ATOM 0 H GLY A 17 3.045 -6.558 9.639 1.00 0.97 H new ATOM 0 HA2 GLY A 17 4.473 -8.538 9.840 1.00 1.18 H new ATOM 0 HA3 GLY A 17 5.539 -7.591 10.859 1.00 1.18 H new ATOM 376 N PRO A 28 -5.680 -5.484 7.743 1.00 1.66 N ATOM 377 CA PRO A 28 -4.646 -6.027 6.845 1.00 1.44 C ATOM 378 C PRO A 28 -3.198 -5.716 7.257 1.00 1.24 C ATOM 379 O PRO A 28 -2.853 -4.565 7.530 1.00 1.36 O ATOM 380 CB PRO A 28 -4.949 -5.480 5.443 1.00 2.39 C ATOM 381 CG PRO A 28 -6.388 -4.985 5.542 1.00 2.64 C ATOM 382 CD PRO A 28 -6.490 -4.534 6.996 1.00 2.42 C ATOM 0 HA PRO A 28 -4.696 -7.115 6.887 1.00 1.44 H new ATOM 0 HB2 PRO A 28 -4.267 -4.673 5.174 1.00 2.39 H new ATOM 0 HB3 PRO A 28 -4.845 -6.253 4.682 1.00 2.39 H new ATOM 0 HG2 PRO A 28 -6.583 -4.166 4.850 1.00 2.64 H new ATOM 0 HG3 PRO A 28 -7.104 -5.774 5.312 1.00 2.64 H new ATOM 0 HD2 PRO A 28 -6.120 -3.516 7.120 1.00 2.42 H new ATOM 0 HD3 PRO A 28 -7.524 -4.541 7.340 1.00 2.42 H new ATOM 390 N ASP A 29 -2.332 -6.727 7.171 1.00 1.21 N ATOM 391 CA ASP A 29 -0.894 -6.670 7.469 1.00 1.08 C ATOM 392 C ASP A 29 -0.032 -6.754 6.197 1.00 0.98 C ATOM 393 O ASP A 29 -0.369 -7.473 5.248 1.00 1.27 O ATOM 394 CB ASP A 29 -0.548 -7.807 8.430 1.00 1.36 C ATOM 395 CG ASP A 29 0.924 -7.793 8.835 1.00 1.87 C ATOM 396 OD1 ASP A 29 1.321 -6.848 9.549 1.00 3.08 O ATOM 397 OD2 ASP A 29 1.678 -8.711 8.437 1.00 2.54 O ATOM 0 H ASP A 29 -2.627 -7.658 6.876 1.00 1.21 H new ATOM 0 HA ASP A 29 -0.673 -5.707 7.930 1.00 1.08 H new ATOM 0 HB2 ASP A 29 -1.169 -7.728 9.322 1.00 1.36 H new ATOM 0 HB3 ASP A 29 -0.785 -8.762 7.960 1.00 1.36 H new ATOM 402 N LEU A 30 1.086 -6.020 6.177 1.00 0.80 N ATOM 403 CA LEU A 30 1.832 -5.702 4.950 1.00 0.80 C ATOM 404 C LEU A 30 3.204 -6.387 4.815 1.00 0.79 C ATOM 405 O LEU A 30 3.865 -6.210 3.792 1.00 0.98 O ATOM 406 CB LEU A 30 1.976 -4.170 4.839 1.00 0.87 C ATOM 407 CG LEU A 30 0.679 -3.363 5.040 1.00 0.87 C ATOM 408 CD1 LEU A 30 0.973 -1.869 4.895 1.00 1.02 C ATOM 409 CD2 LEU A 30 -0.407 -3.716 4.020 1.00 1.11 C ATOM 0 H LEU A 30 1.504 -5.625 7.019 1.00 0.80 H new ATOM 0 HA LEU A 30 1.248 -6.108 4.124 1.00 0.80 H new ATOM 0 HB2 LEU A 30 2.707 -3.838 5.576 1.00 0.87 H new ATOM 0 HB3 LEU A 30 2.382 -3.932 3.856 1.00 0.87 H new ATOM 0 HG LEU A 30 0.316 -3.612 6.037 1.00 0.87 H new ATOM 0 HD11 LEU A 30 0.053 -1.302 5.038 1.00 1.02 H new ATOM 0 HD12 LEU A 30 1.705 -1.568 5.644 1.00 1.02 H new ATOM 0 HD13 LEU A 30 1.370 -1.671 3.899 1.00 1.02 H new ATOM 0 HD21 LEU A 30 -1.296 -3.115 4.213 1.00 1.11 H new ATOM 0 HD22 LEU A 30 -0.042 -3.511 3.014 1.00 1.11 H new ATOM 0 HD23 LEU A 30 -0.658 -4.773 4.107 1.00 1.11 H new ATOM 421 N LEU A 31 3.663 -7.150 5.814 1.00 0.77 N ATOM 422 CA LEU A 31 4.977 -7.803 5.746 1.00 0.84 C ATOM 423 C LEU A 31 5.022 -8.854 4.635 1.00 0.95 C ATOM 424 O LEU A 31 4.118 -9.675 4.475 1.00 1.61 O ATOM 425 CB LEU A 31 5.386 -8.340 7.110 1.00 0.92 C ATOM 426 CG LEU A 31 6.847 -8.829 7.146 1.00 1.29 C ATOM 427 CD1 LEU A 31 7.435 -8.605 8.531 1.00 2.20 C ATOM 428 CD2 LEU A 31 6.985 -10.309 6.804 1.00 1.98 C ATOM 0 H LEU A 31 3.147 -7.330 6.675 1.00 0.77 H new ATOM 0 HA LEU A 31 5.724 -7.057 5.475 1.00 0.84 H new ATOM 0 HB2 LEU A 31 5.251 -7.559 7.858 1.00 0.92 H new ATOM 0 HB3 LEU A 31 4.726 -9.163 7.384 1.00 0.92 H new ATOM 0 HG LEU A 31 7.383 -8.253 6.392 1.00 1.29 H new ATOM 0 HD11 LEU A 31 8.468 -8.953 8.548 1.00 2.20 H new ATOM 0 HD12 LEU A 31 7.406 -7.542 8.771 1.00 2.20 H new ATOM 0 HD13 LEU A 31 6.853 -9.159 9.267 1.00 2.20 H new ATOM 0 HD21 LEU A 31 8.036 -10.596 6.846 1.00 1.98 H new ATOM 0 HD22 LEU A 31 6.418 -10.903 7.521 1.00 1.98 H new ATOM 0 HD23 LEU A 31 6.600 -10.488 5.800 1.00 1.98 H new ATOM 440 N GLY A 32 6.109 -8.832 3.872 1.00 0.89 N ATOM 441 CA GLY A 32 6.348 -9.755 2.761 1.00 0.95 C ATOM 442 C GLY A 32 5.616 -9.412 1.462 1.00 0.85 C ATOM 443 O GLY A 32 5.981 -9.953 0.420 1.00 0.88 O ATOM 0 H GLY A 32 6.865 -8.161 4.008 1.00 0.89 H new ATOM 0 HA2 GLY A 32 7.419 -9.786 2.559 1.00 0.95 H new ATOM 0 HA3 GLY A 32 6.053 -10.757 3.072 1.00 0.95 H new ATOM 447 N VAL A 33 4.649 -8.485 1.451 1.00 0.83 N ATOM 448 CA VAL A 33 3.815 -8.234 0.255 1.00 0.86 C ATOM 449 C VAL A 33 4.642 -7.807 -0.969 1.00 0.76 C ATOM 450 O VAL A 33 4.391 -8.272 -2.078 1.00 0.91 O ATOM 451 CB VAL A 33 2.665 -7.254 0.576 1.00 0.99 C ATOM 452 CG1 VAL A 33 3.091 -5.780 0.630 1.00 1.54 C ATOM 453 CG2 VAL A 33 1.529 -7.397 -0.441 1.00 1.76 C ATOM 0 H VAL A 33 4.421 -7.895 2.251 1.00 0.83 H new ATOM 0 HA VAL A 33 3.359 -9.183 -0.026 1.00 0.86 H new ATOM 0 HB VAL A 33 2.330 -7.531 1.576 1.00 0.99 H new ATOM 0 HG11 VAL A 33 2.225 -5.159 0.861 1.00 1.54 H new ATOM 0 HG12 VAL A 33 3.848 -5.648 1.403 1.00 1.54 H new ATOM 0 HG13 VAL A 33 3.502 -5.485 -0.335 1.00 1.54 H new ATOM 0 HG21 VAL A 33 0.730 -6.697 -0.195 1.00 1.76 H new ATOM 0 HG22 VAL A 33 1.906 -7.181 -1.441 1.00 1.76 H new ATOM 0 HG23 VAL A 33 1.141 -8.415 -0.412 1.00 1.76 H new ATOM 463 N THR A 34 5.709 -7.024 -0.753 1.00 0.66 N ATOM 464 CA THR A 34 6.655 -6.554 -1.792 1.00 0.73 C ATOM 465 C THR A 34 7.491 -7.681 -2.436 1.00 0.75 C ATOM 466 O THR A 34 8.017 -7.530 -3.545 1.00 0.99 O ATOM 467 CB THR A 34 7.551 -5.449 -1.192 1.00 0.96 C ATOM 468 OG1 THR A 34 8.169 -4.708 -2.209 1.00 2.18 O ATOM 469 CG2 THR A 34 8.645 -5.959 -0.253 1.00 1.72 C ATOM 0 H THR A 34 5.951 -6.686 0.178 1.00 0.66 H new ATOM 0 HA THR A 34 6.065 -6.149 -2.614 1.00 0.73 H new ATOM 0 HB THR A 34 6.871 -4.834 -0.602 1.00 0.96 H new ATOM 0 HG1 THR A 34 8.732 -4.011 -1.811 1.00 2.18 H new ATOM 0 HG21 THR A 34 9.225 -5.116 0.121 1.00 1.72 H new ATOM 0 HG22 THR A 34 8.189 -6.486 0.585 1.00 1.72 H new ATOM 0 HG23 THR A 34 9.302 -6.639 -0.795 1.00 1.72 H new ATOM 477 N ARG A 35 7.588 -8.836 -1.761 1.00 0.75 N ATOM 478 CA ARG A 35 8.249 -10.076 -2.207 1.00 1.05 C ATOM 479 C ARG A 35 7.242 -11.078 -2.789 1.00 1.20 C ATOM 480 O ARG A 35 7.551 -11.744 -3.775 1.00 1.54 O ATOM 481 CB ARG A 35 9.036 -10.652 -1.009 1.00 1.21 C ATOM 482 CG ARG A 35 9.587 -12.078 -1.178 1.00 1.93 C ATOM 483 CD ARG A 35 10.603 -12.229 -2.314 1.00 2.89 C ATOM 484 NE ARG A 35 11.045 -13.628 -2.420 1.00 3.83 N ATOM 485 CZ ARG A 35 11.962 -14.100 -3.283 1.00 5.31 C ATOM 486 NH1 ARG A 35 12.588 -13.295 -4.156 1.00 6.23 N ATOM 487 NH2 ARG A 35 12.256 -15.408 -3.269 1.00 6.23 N ATOM 0 H ARG A 35 7.182 -8.938 -0.831 1.00 0.75 H new ATOM 0 HA ARG A 35 8.942 -9.861 -3.021 1.00 1.05 H new ATOM 0 HB2 ARG A 35 9.872 -9.985 -0.796 1.00 1.21 H new ATOM 0 HB3 ARG A 35 8.386 -10.638 -0.134 1.00 1.21 H new ATOM 0 HG2 ARG A 35 10.055 -12.387 -0.244 1.00 1.93 H new ATOM 0 HG3 ARG A 35 8.754 -12.758 -1.358 1.00 1.93 H new ATOM 0 HD2 ARG A 35 10.156 -11.909 -3.255 1.00 2.89 H new ATOM 0 HD3 ARG A 35 11.461 -11.582 -2.132 1.00 2.89 H new ATOM 0 HE ARG A 35 10.618 -14.300 -1.782 1.00 3.83 H new ATOM 0 HH11 ARG A 35 12.372 -12.298 -4.176 1.00 6.23 H new ATOM 0 HH12 ARG A 35 13.279 -13.680 -4.799 1.00 6.23 H new ATOM 0 HH21 ARG A 35 11.786 -16.029 -2.610 1.00 6.23 H new ATOM 0 HH22 ARG A 35 12.949 -15.782 -3.917 1.00 6.23 H new ATOM 501 N GLN A 36 6.048 -11.160 -2.203 1.00 1.26 N ATOM 502 CA GLN A 36 4.985 -12.120 -2.536 1.00 1.56 C ATOM 503 C GLN A 36 4.185 -11.752 -3.799 1.00 1.69 C ATOM 504 O GLN A 36 3.780 -12.649 -4.540 1.00 2.12 O ATOM 505 CB GLN A 36 4.029 -12.213 -1.332 1.00 1.52 C ATOM 506 CG GLN A 36 4.645 -12.896 -0.095 1.00 2.27 C ATOM 507 CD GLN A 36 3.862 -12.638 1.195 1.00 3.13 C ATOM 508 OE1 GLN A 36 2.871 -11.915 1.239 1.00 3.68 O ATOM 509 NE2 GLN A 36 4.285 -13.205 2.303 1.00 4.38 N ATOM 0 H GLN A 36 5.778 -10.531 -1.447 1.00 1.26 H new ATOM 0 HA GLN A 36 5.464 -13.075 -2.752 1.00 1.56 H new ATOM 0 HB2 GLN A 36 3.708 -11.208 -1.058 1.00 1.52 H new ATOM 0 HB3 GLN A 36 3.136 -12.762 -1.631 1.00 1.52 H new ATOM 0 HG2 GLN A 36 4.697 -13.970 -0.271 1.00 2.27 H new ATOM 0 HG3 GLN A 36 5.669 -12.544 0.033 1.00 2.27 H new ATOM 0 HE21 GLN A 36 5.107 -13.809 2.285 1.00 4.38 H new ATOM 0 HE22 GLN A 36 3.791 -13.041 3.180 1.00 4.38 H new ATOM 518 N ARG A 37 3.936 -10.457 -4.054 1.00 1.47 N ATOM 519 CA ARG A 37 3.126 -9.962 -5.185 1.00 1.70 C ATOM 520 C ARG A 37 3.763 -8.766 -5.905 1.00 1.30 C ATOM 521 O ARG A 37 4.788 -8.241 -5.476 1.00 1.74 O ATOM 522 CB ARG A 37 1.648 -9.769 -4.787 1.00 2.49 C ATOM 523 CG ARG A 37 0.915 -11.126 -4.859 1.00 3.70 C ATOM 524 CD ARG A 37 -0.614 -11.026 -4.878 1.00 2.95 C ATOM 525 NE ARG A 37 -1.180 -10.792 -3.543 1.00 2.43 N ATOM 526 CZ ARG A 37 -1.456 -9.593 -3.004 1.00 1.32 C ATOM 527 NH1 ARG A 37 -1.157 -8.448 -3.636 1.00 2.69 N ATOM 528 NH2 ARG A 37 -2.048 -9.553 -1.807 1.00 1.53 N ATOM 0 H ARG A 37 4.300 -9.706 -3.467 1.00 1.47 H new ATOM 0 HA ARG A 37 3.118 -10.743 -5.946 1.00 1.70 H new ATOM 0 HB2 ARG A 37 1.582 -9.361 -3.778 1.00 2.49 H new ATOM 0 HB3 ARG A 37 1.171 -9.050 -5.454 1.00 2.49 H new ATOM 0 HG2 ARG A 37 1.242 -11.654 -5.755 1.00 3.70 H new ATOM 0 HG3 ARG A 37 1.216 -11.732 -4.004 1.00 3.70 H new ATOM 0 HD2 ARG A 37 -0.913 -10.216 -5.543 1.00 2.95 H new ATOM 0 HD3 ARG A 37 -1.030 -11.946 -5.289 1.00 2.95 H new ATOM 0 HE ARG A 37 -1.382 -11.614 -2.974 1.00 2.43 H new ATOM 0 HH11 ARG A 37 -0.708 -8.473 -4.551 1.00 2.69 H new ATOM 0 HH12 ARG A 37 -1.379 -7.552 -3.201 1.00 2.69 H new ATOM 0 HH21 ARG A 37 -2.280 -10.421 -1.324 1.00 1.53 H new ATOM 0 HH22 ARG A 37 -2.268 -8.655 -1.377 1.00 1.53 H new ATOM 542 N ASP A 38 3.199 -8.399 -7.053 1.00 1.19 N ATOM 543 CA ASP A 38 3.825 -7.520 -8.053 1.00 1.15 C ATOM 544 C ASP A 38 4.118 -6.089 -7.552 1.00 1.27 C ATOM 545 O ASP A 38 3.224 -5.337 -7.165 1.00 1.49 O ATOM 546 CB ASP A 38 2.968 -7.522 -9.328 1.00 1.31 C ATOM 547 CG ASP A 38 3.069 -8.862 -10.059 1.00 2.72 C ATOM 548 OD1 ASP A 38 4.188 -9.223 -10.486 1.00 3.00 O ATOM 549 OD2 ASP A 38 2.059 -9.598 -10.167 1.00 4.28 O ATOM 0 H ASP A 38 2.267 -8.711 -7.327 1.00 1.19 H new ATOM 0 HA ASP A 38 4.812 -7.928 -8.270 1.00 1.15 H new ATOM 0 HB2 ASP A 38 1.928 -7.322 -9.071 1.00 1.31 H new ATOM 0 HB3 ASP A 38 3.293 -6.718 -9.989 1.00 1.31 H new ATOM 554 N ALA A 39 5.397 -5.699 -7.586 1.00 1.25 N ATOM 555 CA ALA A 39 5.908 -4.487 -6.944 1.00 1.37 C ATOM 556 C ALA A 39 5.453 -3.189 -7.631 1.00 1.40 C ATOM 557 O ALA A 39 4.949 -2.289 -6.958 1.00 1.93 O ATOM 558 CB ALA A 39 7.438 -4.588 -6.875 1.00 1.49 C ATOM 0 H ALA A 39 6.120 -6.230 -8.072 1.00 1.25 H new ATOM 0 HA ALA A 39 5.488 -4.428 -5.940 1.00 1.37 H new ATOM 0 HB1 ALA A 39 7.841 -3.694 -6.399 1.00 1.49 H new ATOM 0 HB2 ALA A 39 7.719 -5.466 -6.293 1.00 1.49 H new ATOM 0 HB3 ALA A 39 7.843 -4.676 -7.883 1.00 1.49 H new ATOM 564 N ASN A 40 5.555 -3.091 -8.963 1.00 1.02 N ATOM 565 CA ASN A 40 5.097 -1.892 -9.682 1.00 1.01 C ATOM 566 C ASN A 40 3.588 -1.665 -9.482 1.00 0.95 C ATOM 567 O ASN A 40 3.155 -0.520 -9.326 1.00 0.99 O ATOM 568 CB ASN A 40 5.439 -2.006 -11.178 1.00 1.22 C ATOM 569 CG ASN A 40 6.919 -1.960 -11.498 1.00 1.90 C ATOM 570 OD1 ASN A 40 7.761 -1.575 -10.695 1.00 2.83 O ATOM 571 ND2 ASN A 40 7.282 -2.326 -12.704 1.00 2.68 N ATOM 0 H ASN A 40 5.946 -3.819 -9.561 1.00 1.02 H new ATOM 0 HA ASN A 40 5.618 -1.028 -9.270 1.00 1.01 H new ATOM 0 HB2 ASN A 40 5.028 -2.941 -11.560 1.00 1.22 H new ATOM 0 HB3 ASN A 40 4.941 -1.197 -11.713 1.00 1.22 H new ATOM 0 HD21 ASN A 40 8.265 -2.290 -12.974 1.00 2.68 H new ATOM 0 HD22 ASN A 40 6.581 -2.646 -13.372 1.00 2.68 H new ATOM 578 N TRP A 41 2.807 -2.748 -9.426 1.00 0.93 N ATOM 579 CA TRP A 41 1.374 -2.707 -9.135 1.00 0.91 C ATOM 580 C TRP A 41 1.092 -2.229 -7.701 1.00 0.90 C ATOM 581 O TRP A 41 0.280 -1.325 -7.507 1.00 0.89 O ATOM 582 CB TRP A 41 0.770 -4.090 -9.409 1.00 0.87 C ATOM 583 CG TRP A 41 -0.705 -4.141 -9.190 1.00 0.85 C ATOM 584 CD1 TRP A 41 -1.643 -3.928 -10.137 1.00 0.84 C ATOM 585 CD2 TRP A 41 -1.433 -4.325 -7.937 1.00 0.88 C ATOM 586 NE1 TRP A 41 -2.895 -3.950 -9.562 1.00 0.86 N ATOM 587 CE2 TRP A 41 -2.821 -4.130 -8.196 1.00 0.89 C ATOM 588 CE3 TRP A 41 -1.056 -4.595 -6.604 1.00 0.96 C ATOM 589 CZ2 TRP A 41 -3.770 -4.136 -7.168 1.00 0.97 C ATOM 590 CZ3 TRP A 41 -2.006 -4.600 -5.563 1.00 1.03 C ATOM 591 CH2 TRP A 41 -3.357 -4.346 -5.844 1.00 1.05 C ATOM 0 H TRP A 41 3.160 -3.692 -9.584 1.00 0.93 H new ATOM 0 HA TRP A 41 0.899 -1.977 -9.790 1.00 0.91 H new ATOM 0 HB2 TRP A 41 0.988 -4.377 -10.438 1.00 0.87 H new ATOM 0 HB3 TRP A 41 1.252 -4.824 -8.764 1.00 0.87 H new ATOM 0 HD1 TRP A 41 -1.443 -3.765 -11.186 1.00 0.84 H new ATOM 0 HE1 TRP A 41 -3.767 -3.846 -10.081 1.00 0.86 H new ATOM 0 HE3 TRP A 41 -0.020 -4.802 -6.378 1.00 0.96 H new ATOM 0 HZ2 TRP A 41 -4.815 -3.980 -7.393 1.00 0.97 H new ATOM 0 HZ3 TRP A 41 -1.694 -4.799 -4.548 1.00 1.03 H new ATOM 0 HH2 TRP A 41 -4.079 -4.312 -5.041 1.00 1.05 H new ATOM 602 N LEU A 42 1.815 -2.751 -6.698 1.00 0.91 N ATOM 603 CA LEU A 42 1.698 -2.320 -5.295 1.00 0.87 C ATOM 604 C LEU A 42 2.005 -0.824 -5.119 1.00 0.76 C ATOM 605 O LEU A 42 1.310 -0.136 -4.368 1.00 0.71 O ATOM 606 CB LEU A 42 2.644 -3.170 -4.420 1.00 0.98 C ATOM 607 CG LEU A 42 2.135 -4.593 -4.129 1.00 2.19 C ATOM 608 CD1 LEU A 42 3.283 -5.469 -3.631 1.00 2.81 C ATOM 609 CD2 LEU A 42 1.043 -4.584 -3.057 1.00 3.17 C ATOM 0 H LEU A 42 2.503 -3.490 -6.839 1.00 0.91 H new ATOM 0 HA LEU A 42 0.665 -2.470 -4.981 1.00 0.87 H new ATOM 0 HB2 LEU A 42 3.613 -3.238 -4.914 1.00 0.98 H new ATOM 0 HB3 LEU A 42 2.805 -2.654 -3.473 1.00 0.98 H new ATOM 0 HG LEU A 42 1.726 -4.989 -5.058 1.00 2.19 H new ATOM 0 HD11 LEU A 42 2.912 -6.474 -3.428 1.00 2.81 H new ATOM 0 HD12 LEU A 42 4.061 -5.516 -4.393 1.00 2.81 H new ATOM 0 HD13 LEU A 42 3.696 -5.043 -2.717 1.00 2.81 H new ATOM 0 HD21 LEU A 42 0.704 -5.604 -2.874 1.00 3.17 H new ATOM 0 HD22 LEU A 42 1.442 -4.163 -2.134 1.00 3.17 H new ATOM 0 HD23 LEU A 42 0.203 -3.979 -3.398 1.00 3.17 H new ATOM 621 N VAL A 43 3.007 -0.299 -5.835 1.00 0.77 N ATOM 622 CA VAL A 43 3.328 1.139 -5.841 1.00 0.78 C ATOM 623 C VAL A 43 2.242 1.955 -6.557 1.00 0.87 C ATOM 624 O VAL A 43 1.885 3.024 -6.061 1.00 0.94 O ATOM 625 CB VAL A 43 4.741 1.388 -6.413 1.00 0.89 C ATOM 626 CG1 VAL A 43 5.087 2.883 -6.470 1.00 1.28 C ATOM 627 CG2 VAL A 43 5.799 0.718 -5.522 1.00 1.01 C ATOM 0 H VAL A 43 3.621 -0.858 -6.428 1.00 0.77 H new ATOM 0 HA VAL A 43 3.341 1.490 -4.809 1.00 0.78 H new ATOM 0 HB VAL A 43 4.742 0.972 -7.421 1.00 0.89 H new ATOM 0 HG11 VAL A 43 6.090 3.009 -6.879 1.00 1.28 H new ATOM 0 HG12 VAL A 43 4.368 3.399 -7.107 1.00 1.28 H new ATOM 0 HG13 VAL A 43 5.049 3.304 -5.465 1.00 1.28 H new ATOM 0 HG21 VAL A 43 6.791 0.900 -5.935 1.00 1.01 H new ATOM 0 HG22 VAL A 43 5.743 1.133 -4.516 1.00 1.01 H new ATOM 0 HG23 VAL A 43 5.614 -0.355 -5.482 1.00 1.01 H new ATOM 637 N ARG A 44 1.636 1.455 -7.649 1.00 0.93 N ATOM 638 CA ARG A 44 0.484 2.122 -8.292 1.00 1.01 C ATOM 639 C ARG A 44 -0.722 2.185 -7.351 1.00 0.92 C ATOM 640 O ARG A 44 -1.298 3.262 -7.195 1.00 0.94 O ATOM 641 CB ARG A 44 0.158 1.463 -9.641 1.00 1.19 C ATOM 642 CG ARG A 44 -0.643 2.435 -10.521 1.00 2.04 C ATOM 643 CD ARG A 44 -1.065 1.790 -11.845 1.00 2.76 C ATOM 644 NE ARG A 44 -1.944 2.681 -12.618 1.00 3.56 N ATOM 645 CZ ARG A 44 -1.554 3.744 -13.348 1.00 3.67 C ATOM 646 NH1 ARG A 44 -0.261 4.090 -13.460 1.00 3.44 N ATOM 647 NH2 ARG A 44 -2.485 4.474 -13.974 1.00 4.88 N ATOM 0 H ARG A 44 1.924 0.590 -8.107 1.00 0.93 H new ATOM 0 HA ARG A 44 0.756 3.156 -8.503 1.00 1.01 H new ATOM 0 HB2 ARG A 44 1.080 1.177 -10.147 1.00 1.19 H new ATOM 0 HB3 ARG A 44 -0.414 0.549 -9.480 1.00 1.19 H new ATOM 0 HG2 ARG A 44 -1.529 2.768 -9.981 1.00 2.04 H new ATOM 0 HG3 ARG A 44 -0.041 3.321 -10.724 1.00 2.04 H new ATOM 0 HD2 ARG A 44 -0.179 1.550 -12.433 1.00 2.76 H new ATOM 0 HD3 ARG A 44 -1.580 0.850 -11.646 1.00 2.76 H new ATOM 0 HE ARG A 44 -2.943 2.475 -12.600 1.00 3.56 H new ATOM 0 HH11 ARG A 44 0.456 3.542 -12.985 1.00 3.44 H new ATOM 0 HH12 ARG A 44 0.003 4.900 -14.020 1.00 3.44 H new ATOM 0 HH21 ARG A 44 -3.470 4.222 -13.894 1.00 4.88 H new ATOM 0 HH22 ARG A 44 -2.209 5.283 -14.531 1.00 4.88 H new ATOM 661 N TRP A 45 -1.048 1.088 -6.661 1.00 0.91 N ATOM 662 CA TRP A 45 -2.147 1.049 -5.686 1.00 0.92 C ATOM 663 C TRP A 45 -1.906 2.008 -4.520 1.00 0.80 C ATOM 664 O TRP A 45 -2.824 2.684 -4.068 1.00 1.01 O ATOM 665 CB TRP A 45 -2.367 -0.379 -5.166 1.00 1.10 C ATOM 666 CG TRP A 45 -3.576 -0.498 -4.282 1.00 1.20 C ATOM 667 CD1 TRP A 45 -3.580 -0.604 -2.929 1.00 1.67 C ATOM 668 CD2 TRP A 45 -4.978 -0.387 -4.679 1.00 1.08 C ATOM 669 NE1 TRP A 45 -4.893 -0.611 -2.476 1.00 1.83 N ATOM 670 CE2 TRP A 45 -5.789 -0.451 -3.507 1.00 1.52 C ATOM 671 CE3 TRP A 45 -5.645 -0.173 -5.905 1.00 0.91 C ATOM 672 CZ2 TRP A 45 -7.184 -0.317 -3.548 1.00 1.72 C ATOM 673 CZ3 TRP A 45 -7.043 -0.010 -5.954 1.00 1.19 C ATOM 674 CH2 TRP A 45 -7.816 -0.092 -4.782 1.00 1.55 C ATOM 0 H TRP A 45 -0.558 0.199 -6.761 1.00 0.91 H new ATOM 0 HA TRP A 45 -3.049 1.376 -6.204 1.00 0.92 H new ATOM 0 HB2 TRP A 45 -2.474 -1.057 -6.013 1.00 1.10 H new ATOM 0 HB3 TRP A 45 -1.485 -0.699 -4.612 1.00 1.10 H new ATOM 0 HD1 TRP A 45 -2.702 -0.672 -2.304 1.00 1.67 H new ATOM 0 HE1 TRP A 45 -5.160 -0.721 -1.498 1.00 1.83 H new ATOM 0 HE3 TRP A 45 -5.073 -0.134 -6.821 1.00 0.91 H new ATOM 0 HZ2 TRP A 45 -7.766 -0.386 -2.641 1.00 1.72 H new ATOM 0 HZ3 TRP A 45 -7.526 0.180 -6.901 1.00 1.19 H new ATOM 0 HH2 TRP A 45 -8.889 0.017 -4.831 1.00 1.55 H new ATOM 685 N LEU A 46 -0.666 2.132 -4.053 1.00 0.63 N ATOM 686 CA LEU A 46 -0.326 3.071 -2.987 1.00 0.80 C ATOM 687 C LEU A 46 -0.294 4.541 -3.453 1.00 0.87 C ATOM 688 O LEU A 46 -0.471 5.443 -2.631 1.00 1.14 O ATOM 689 CB LEU A 46 0.967 2.566 -2.339 1.00 1.04 C ATOM 690 CG LEU A 46 1.358 3.216 -1.001 1.00 1.17 C ATOM 691 CD1 LEU A 46 0.201 3.412 -0.019 1.00 2.46 C ATOM 692 CD2 LEU A 46 2.347 2.269 -0.324 1.00 2.14 C ATOM 0 H LEU A 46 0.125 1.590 -4.399 1.00 0.63 H new ATOM 0 HA LEU A 46 -1.111 3.095 -2.231 1.00 0.80 H new ATOM 0 HB2 LEU A 46 0.874 1.491 -2.183 1.00 1.04 H new ATOM 0 HB3 LEU A 46 1.784 2.716 -3.044 1.00 1.04 H new ATOM 0 HG LEU A 46 1.751 4.206 -1.234 1.00 1.17 H new ATOM 0 HD11 LEU A 46 0.573 3.876 0.894 1.00 2.46 H new ATOM 0 HD12 LEU A 46 -0.555 4.055 -0.471 1.00 2.46 H new ATOM 0 HD13 LEU A 46 -0.241 2.445 0.220 1.00 2.46 H new ATOM 0 HD21 LEU A 46 2.655 2.689 0.634 1.00 2.14 H new ATOM 0 HD22 LEU A 46 1.871 1.302 -0.160 1.00 2.14 H new ATOM 0 HD23 LEU A 46 3.221 2.140 -0.962 1.00 2.14 H new ATOM 704 N LYS A 47 -0.148 4.805 -4.759 1.00 0.79 N ATOM 705 CA LYS A 47 -0.251 6.148 -5.357 1.00 0.99 C ATOM 706 C LYS A 47 -1.694 6.570 -5.650 1.00 0.93 C ATOM 707 O LYS A 47 -2.095 7.642 -5.190 1.00 1.09 O ATOM 708 CB LYS A 47 0.617 6.237 -6.624 1.00 1.18 C ATOM 709 CG LYS A 47 2.111 6.363 -6.287 1.00 1.64 C ATOM 710 CD LYS A 47 2.955 6.400 -7.567 1.00 1.85 C ATOM 711 CE LYS A 47 4.423 6.647 -7.211 1.00 2.56 C ATOM 712 NZ LYS A 47 5.243 6.935 -8.407 1.00 2.88 N ATOM 0 H LYS A 47 0.049 4.077 -5.446 1.00 0.79 H new ATOM 0 HA LYS A 47 0.124 6.852 -4.615 1.00 0.99 H new ATOM 0 HB2 LYS A 47 0.457 5.350 -7.237 1.00 1.18 H new ATOM 0 HB3 LYS A 47 0.305 7.096 -7.218 1.00 1.18 H new ATOM 0 HG2 LYS A 47 2.283 7.269 -5.706 1.00 1.64 H new ATOM 0 HG3 LYS A 47 2.421 5.523 -5.666 1.00 1.64 H new ATOM 0 HD2 LYS A 47 2.855 5.458 -8.107 1.00 1.85 H new ATOM 0 HD3 LYS A 47 2.594 7.187 -8.229 1.00 1.85 H new ATOM 0 HE2 LYS A 47 4.491 7.483 -6.515 1.00 2.56 H new ATOM 0 HE3 LYS A 47 4.824 5.772 -6.699 1.00 2.56 H new ATOM 0 HZ1 LYS A 47 6.230 7.096 -8.121 1.00 2.88 H new ATOM 0 HZ2 LYS A 47 5.199 6.127 -9.061 1.00 2.88 H new ATOM 0 HZ3 LYS A 47 4.877 7.785 -8.882 1.00 2.88 H new ATOM 726 N VAL A 48 -2.472 5.768 -6.387 1.00 0.82 N ATOM 727 CA VAL A 48 -3.732 6.210 -7.027 1.00 0.81 C ATOM 728 C VAL A 48 -4.893 5.176 -6.954 1.00 0.71 C ATOM 729 O VAL A 48 -5.529 4.854 -7.963 1.00 0.72 O ATOM 730 CB VAL A 48 -3.400 6.729 -8.447 1.00 0.91 C ATOM 731 CG1 VAL A 48 -3.096 5.644 -9.497 1.00 1.79 C ATOM 732 CG2 VAL A 48 -4.476 7.707 -8.924 1.00 1.63 C ATOM 0 H VAL A 48 -2.250 4.788 -6.561 1.00 0.82 H new ATOM 0 HA VAL A 48 -4.152 7.035 -6.451 1.00 0.81 H new ATOM 0 HB VAL A 48 -2.451 7.257 -8.347 1.00 0.91 H new ATOM 0 HG11 VAL A 48 -2.877 6.116 -10.455 1.00 1.79 H new ATOM 0 HG12 VAL A 48 -2.235 5.058 -9.176 1.00 1.79 H new ATOM 0 HG13 VAL A 48 -3.961 4.989 -9.604 1.00 1.79 H new ATOM 0 HG21 VAL A 48 -4.227 8.062 -9.924 1.00 1.63 H new ATOM 0 HG22 VAL A 48 -5.442 7.202 -8.948 1.00 1.63 H new ATOM 0 HG23 VAL A 48 -4.527 8.554 -8.240 1.00 1.63 H new ATOM 742 N PRO A 49 -5.250 4.662 -5.762 1.00 0.66 N ATOM 743 CA PRO A 49 -6.177 3.529 -5.620 1.00 0.62 C ATOM 744 C PRO A 49 -7.635 3.828 -6.015 1.00 0.63 C ATOM 745 O PRO A 49 -8.422 2.901 -6.198 1.00 0.86 O ATOM 746 CB PRO A 49 -6.079 3.108 -4.152 1.00 0.64 C ATOM 747 CG PRO A 49 -5.716 4.412 -3.450 1.00 0.75 C ATOM 748 CD PRO A 49 -4.823 5.135 -4.452 1.00 0.72 C ATOM 0 HA PRO A 49 -5.888 2.740 -6.314 1.00 0.62 H new ATOM 0 HB2 PRO A 49 -7.020 2.699 -3.785 1.00 0.64 H new ATOM 0 HB3 PRO A 49 -5.318 2.342 -4.001 1.00 0.64 H new ATOM 0 HG2 PRO A 49 -6.604 4.998 -3.212 1.00 0.75 H new ATOM 0 HG3 PRO A 49 -5.194 4.228 -2.511 1.00 0.75 H new ATOM 0 HD2 PRO A 49 -4.934 6.216 -4.369 1.00 0.72 H new ATOM 0 HD3 PRO A 49 -3.771 4.909 -4.276 1.00 0.72 H new ATOM 756 N ASP A 50 -8.031 5.098 -6.161 1.00 0.77 N ATOM 757 CA ASP A 50 -9.331 5.460 -6.749 1.00 0.91 C ATOM 758 C ASP A 50 -9.336 5.257 -8.275 1.00 0.95 C ATOM 759 O ASP A 50 -10.213 4.582 -8.822 1.00 1.10 O ATOM 760 CB ASP A 50 -9.673 6.920 -6.424 1.00 1.35 C ATOM 761 CG ASP A 50 -10.067 7.149 -4.966 1.00 1.55 C ATOM 762 OD1 ASP A 50 -11.084 6.572 -4.512 1.00 2.40 O ATOM 763 OD2 ASP A 50 -9.418 7.990 -4.296 1.00 3.19 O ATOM 0 H ASP A 50 -7.467 5.899 -5.878 1.00 0.77 H new ATOM 0 HA ASP A 50 -10.084 4.803 -6.314 1.00 0.91 H new ATOM 0 HB2 ASP A 50 -8.813 7.547 -6.661 1.00 1.35 H new ATOM 0 HB3 ASP A 50 -10.491 7.244 -7.067 1.00 1.35 H new ATOM 768 N GLN A 51 -8.328 5.802 -8.965 1.00 0.98 N ATOM 769 CA GLN A 51 -8.245 5.753 -10.427 1.00 1.08 C ATOM 770 C GLN A 51 -8.073 4.318 -10.930 1.00 0.98 C ATOM 771 O GLN A 51 -8.654 3.968 -11.948 1.00 1.06 O ATOM 772 CB GLN A 51 -7.090 6.634 -10.920 1.00 1.31 C ATOM 773 CG GLN A 51 -7.157 6.939 -12.422 1.00 1.77 C ATOM 774 CD GLN A 51 -5.857 7.573 -12.899 1.00 2.28 C ATOM 775 OE1 GLN A 51 -5.576 8.739 -12.644 1.00 2.43 O ATOM 776 NE2 GLN A 51 -5.011 6.816 -13.565 1.00 3.37 N ATOM 0 H GLN A 51 -7.547 6.289 -8.525 1.00 0.98 H new ATOM 0 HA GLN A 51 -9.183 6.136 -10.830 1.00 1.08 H new ATOM 0 HB2 GLN A 51 -7.096 7.572 -10.365 1.00 1.31 H new ATOM 0 HB3 GLN A 51 -6.145 6.139 -10.699 1.00 1.31 H new ATOM 0 HG2 GLN A 51 -7.345 6.020 -12.977 1.00 1.77 H new ATOM 0 HG3 GLN A 51 -7.991 7.610 -12.625 1.00 1.77 H new ATOM 0 HE21 GLN A 51 -5.250 5.847 -13.774 1.00 3.37 H new ATOM 0 HE22 GLN A 51 -4.117 7.199 -13.872 1.00 3.37 H new ATOM 785 N MET A 52 -7.341 3.463 -10.210 1.00 0.87 N ATOM 786 CA MET A 52 -7.158 2.061 -10.588 1.00 0.84 C ATOM 787 C MET A 52 -8.462 1.242 -10.616 1.00 0.82 C ATOM 788 O MET A 52 -8.572 0.317 -11.419 1.00 0.88 O ATOM 789 CB MET A 52 -6.146 1.439 -9.627 1.00 0.78 C ATOM 790 CG MET A 52 -4.718 1.746 -10.064 1.00 1.29 C ATOM 791 SD MET A 52 -3.501 1.061 -8.925 1.00 2.10 S ATOM 792 CE MET A 52 -3.562 -0.685 -9.377 1.00 1.66 C ATOM 0 H MET A 52 -6.859 3.724 -9.350 1.00 0.87 H new ATOM 0 HA MET A 52 -6.793 2.038 -11.615 1.00 0.84 H new ATOM 0 HB2 MET A 52 -6.312 1.822 -8.620 1.00 0.78 H new ATOM 0 HB3 MET A 52 -6.294 0.360 -9.586 1.00 0.78 H new ATOM 0 HG2 MET A 52 -4.549 1.341 -11.062 1.00 1.29 H new ATOM 0 HG3 MET A 52 -4.584 2.826 -10.132 1.00 1.29 H new ATOM 0 HE1 MET A 52 -2.849 -1.243 -8.770 1.00 1.66 H new ATOM 0 HE2 MET A 52 -4.566 -1.071 -9.203 1.00 1.66 H new ATOM 0 HE3 MET A 52 -3.308 -0.797 -10.431 1.00 1.66 H new ATOM 802 N LEU A 53 -9.478 1.583 -9.812 1.00 0.90 N ATOM 803 CA LEU A 53 -10.815 0.993 -9.964 1.00 1.01 C ATOM 804 C LEU A 53 -11.578 1.643 -11.130 1.00 1.09 C ATOM 805 O LEU A 53 -12.179 0.947 -11.947 1.00 1.27 O ATOM 806 CB LEU A 53 -11.595 1.068 -8.637 1.00 1.20 C ATOM 807 CG LEU A 53 -10.977 0.258 -7.480 1.00 0.93 C ATOM 808 CD1 LEU A 53 -11.794 0.473 -6.206 1.00 1.75 C ATOM 809 CD2 LEU A 53 -10.913 -1.249 -7.749 1.00 2.07 C ATOM 0 H LEU A 53 -9.401 2.261 -9.054 1.00 0.90 H new ATOM 0 HA LEU A 53 -10.703 -0.062 -10.213 1.00 1.01 H new ATOM 0 HB2 LEU A 53 -11.668 2.112 -8.333 1.00 1.20 H new ATOM 0 HB3 LEU A 53 -12.611 0.714 -8.808 1.00 1.20 H new ATOM 0 HG LEU A 53 -9.955 0.621 -7.374 1.00 0.93 H new ATOM 0 HD11 LEU A 53 -11.354 -0.101 -5.390 1.00 1.75 H new ATOM 0 HD12 LEU A 53 -11.792 1.532 -5.947 1.00 1.75 H new ATOM 0 HD13 LEU A 53 -12.819 0.142 -6.371 1.00 1.75 H new ATOM 0 HD21 LEU A 53 -10.467 -1.753 -6.892 1.00 2.07 H new ATOM 0 HD22 LEU A 53 -11.920 -1.633 -7.912 1.00 2.07 H new ATOM 0 HD23 LEU A 53 -10.306 -1.435 -8.635 1.00 2.07 H new ATOM 821 N ALA A 54 -11.502 2.969 -11.263 1.00 1.03 N ATOM 822 CA ALA A 54 -12.169 3.734 -12.323 1.00 1.08 C ATOM 823 C ALA A 54 -11.605 3.493 -13.750 1.00 1.10 C ATOM 824 O ALA A 54 -12.276 3.755 -14.748 1.00 1.29 O ATOM 825 CB ALA A 54 -12.078 5.208 -11.925 1.00 1.06 C ATOM 0 H ALA A 54 -10.964 3.555 -10.624 1.00 1.03 H new ATOM 0 HA ALA A 54 -13.202 3.396 -12.398 1.00 1.08 H new ATOM 0 HB1 ALA A 54 -12.562 5.821 -12.685 1.00 1.06 H new ATOM 0 HB2 ALA A 54 -12.576 5.358 -10.967 1.00 1.06 H new ATOM 0 HB3 ALA A 54 -11.031 5.498 -11.839 1.00 1.06 H new ATOM 831 N GLU A 55 -10.380 2.977 -13.857 1.00 1.05 N ATOM 832 CA GLU A 55 -9.708 2.582 -15.104 1.00 1.07 C ATOM 833 C GLU A 55 -9.789 1.072 -15.392 1.00 1.11 C ATOM 834 O GLU A 55 -9.285 0.613 -16.425 1.00 1.33 O ATOM 835 CB GLU A 55 -8.257 3.098 -15.068 1.00 1.08 C ATOM 836 CG GLU A 55 -7.243 2.224 -14.318 1.00 1.21 C ATOM 837 CD GLU A 55 -5.901 2.936 -14.046 1.00 1.96 C ATOM 838 OE1 GLU A 55 -5.781 4.172 -14.255 1.00 2.88 O ATOM 839 OE2 GLU A 55 -4.927 2.262 -13.628 1.00 2.84 O ATOM 0 H GLU A 55 -9.797 2.813 -13.037 1.00 1.05 H new ATOM 0 HA GLU A 55 -10.236 3.043 -15.939 1.00 1.07 H new ATOM 0 HB2 GLU A 55 -7.911 3.219 -16.095 1.00 1.08 H new ATOM 0 HB3 GLU A 55 -8.257 4.089 -14.613 1.00 1.08 H new ATOM 0 HG2 GLU A 55 -7.678 1.910 -13.369 1.00 1.21 H new ATOM 0 HG3 GLU A 55 -7.055 1.320 -14.898 1.00 1.21 H new ATOM 846 N LYS A 56 -10.403 0.323 -14.460 1.00 1.13 N ATOM 847 CA LYS A 56 -10.411 -1.141 -14.336 1.00 1.13 C ATOM 848 C LYS A 56 -9.020 -1.748 -14.513 1.00 1.17 C ATOM 849 O LYS A 56 -8.688 -2.329 -15.545 1.00 1.85 O ATOM 850 CB LYS A 56 -11.503 -1.777 -15.212 1.00 1.49 C ATOM 851 CG LYS A 56 -12.904 -1.444 -14.676 1.00 2.24 C ATOM 852 CD LYS A 56 -13.997 -2.152 -15.492 1.00 2.93 C ATOM 853 CE LYS A 56 -15.405 -1.960 -14.918 1.00 4.00 C ATOM 854 NZ LYS A 56 -15.774 -0.532 -14.790 1.00 4.28 N ATOM 0 H LYS A 56 -10.948 0.761 -13.718 1.00 1.13 H new ATOM 0 HA LYS A 56 -10.685 -1.388 -13.310 1.00 1.13 H new ATOM 0 HB2 LYS A 56 -11.407 -1.418 -16.237 1.00 1.49 H new ATOM 0 HB3 LYS A 56 -11.368 -2.858 -15.239 1.00 1.49 H new ATOM 0 HG2 LYS A 56 -12.976 -1.743 -13.630 1.00 2.24 H new ATOM 0 HG3 LYS A 56 -13.062 -0.366 -14.710 1.00 2.24 H new ATOM 0 HD2 LYS A 56 -13.976 -1.778 -16.516 1.00 2.93 H new ATOM 0 HD3 LYS A 56 -13.773 -3.218 -15.537 1.00 2.93 H new ATOM 0 HE2 LYS A 56 -16.128 -2.463 -15.561 1.00 4.00 H new ATOM 0 HE3 LYS A 56 -15.463 -2.436 -13.939 1.00 4.00 H new ATOM 0 HZ1 LYS A 56 -16.752 -0.456 -14.446 1.00 4.28 H new ATOM 0 HZ2 LYS A 56 -15.133 -0.067 -14.116 1.00 4.28 H new ATOM 0 HZ3 LYS A 56 -15.697 -0.069 -15.718 1.00 4.28 H new ATOM 868 N ASP A 57 -8.220 -1.637 -13.462 1.00 0.80 N ATOM 869 CA ASP A 57 -7.058 -2.474 -13.188 1.00 0.82 C ATOM 870 C ASP A 57 -7.585 -3.737 -12.490 1.00 0.79 C ATOM 871 O ASP A 57 -7.954 -3.700 -11.315 1.00 0.78 O ATOM 872 CB ASP A 57 -6.059 -1.684 -12.335 1.00 0.88 C ATOM 873 CG ASP A 57 -4.742 -2.438 -12.227 1.00 1.30 C ATOM 874 OD1 ASP A 57 -4.733 -3.544 -11.638 1.00 2.66 O ATOM 875 OD2 ASP A 57 -3.734 -1.948 -12.789 1.00 1.76 O ATOM 0 H ASP A 57 -8.369 -0.929 -12.743 1.00 0.80 H new ATOM 0 HA ASP A 57 -6.522 -2.767 -14.091 1.00 0.82 H new ATOM 0 HB2 ASP A 57 -5.888 -0.703 -12.778 1.00 0.88 H new ATOM 0 HB3 ASP A 57 -6.472 -1.517 -11.340 1.00 0.88 H new ATOM 880 N PRO A 58 -7.752 -4.844 -13.225 1.00 0.88 N ATOM 881 CA PRO A 58 -8.612 -5.952 -12.798 1.00 1.03 C ATOM 882 C PRO A 58 -8.088 -6.709 -11.573 1.00 1.17 C ATOM 883 O PRO A 58 -8.872 -7.296 -10.824 1.00 1.96 O ATOM 884 CB PRO A 58 -8.672 -6.842 -14.029 1.00 1.14 C ATOM 885 CG PRO A 58 -7.346 -6.585 -14.745 1.00 1.09 C ATOM 886 CD PRO A 58 -7.208 -5.092 -14.555 1.00 0.93 C ATOM 0 HA PRO A 58 -9.588 -5.597 -12.467 1.00 1.03 H new ATOM 0 HB2 PRO A 58 -8.780 -7.892 -13.756 1.00 1.14 H new ATOM 0 HB3 PRO A 58 -9.522 -6.588 -14.662 1.00 1.14 H new ATOM 0 HG2 PRO A 58 -6.520 -7.137 -14.296 1.00 1.09 H new ATOM 0 HG3 PRO A 58 -7.383 -6.866 -15.797 1.00 1.09 H new ATOM 0 HD2 PRO A 58 -6.167 -4.777 -14.623 1.00 0.93 H new ATOM 0 HD3 PRO A 58 -7.758 -4.542 -15.318 1.00 0.93 H new ATOM 894 N LEU A 59 -6.777 -6.661 -11.336 1.00 0.72 N ATOM 895 CA LEU A 59 -6.165 -7.147 -10.094 1.00 0.68 C ATOM 896 C LEU A 59 -6.607 -6.312 -8.877 1.00 0.60 C ATOM 897 O LEU A 59 -6.864 -6.880 -7.819 1.00 0.62 O ATOM 898 CB LEU A 59 -4.636 -7.193 -10.269 1.00 0.76 C ATOM 899 CG LEU A 59 -3.845 -7.702 -9.045 1.00 0.86 C ATOM 900 CD1 LEU A 59 -4.279 -9.099 -8.589 1.00 1.31 C ATOM 901 CD2 LEU A 59 -2.357 -7.770 -9.388 1.00 1.38 C ATOM 0 H LEU A 59 -6.104 -6.282 -12.002 1.00 0.72 H new ATOM 0 HA LEU A 59 -6.512 -8.160 -9.890 1.00 0.68 H new ATOM 0 HB2 LEU A 59 -4.404 -7.831 -11.122 1.00 0.76 H new ATOM 0 HB3 LEU A 59 -4.285 -6.191 -10.516 1.00 0.76 H new ATOM 0 HG LEU A 59 -4.045 -6.998 -8.237 1.00 0.86 H new ATOM 0 HD11 LEU A 59 -3.686 -9.400 -7.725 1.00 1.31 H new ATOM 0 HD12 LEU A 59 -5.334 -9.081 -8.316 1.00 1.31 H new ATOM 0 HD13 LEU A 59 -4.126 -9.811 -9.400 1.00 1.31 H new ATOM 0 HD21 LEU A 59 -1.800 -8.130 -8.523 1.00 1.38 H new ATOM 0 HD22 LEU A 59 -2.207 -8.452 -10.225 1.00 1.38 H new ATOM 0 HD23 LEU A 59 -2.001 -6.777 -9.661 1.00 1.38 H new ATOM 913 N ALA A 60 -6.796 -4.995 -9.017 1.00 0.59 N ATOM 914 CA ALA A 60 -7.416 -4.183 -7.969 1.00 0.62 C ATOM 915 C ALA A 60 -8.917 -4.453 -7.817 1.00 0.66 C ATOM 916 O ALA A 60 -9.390 -4.613 -6.694 1.00 0.70 O ATOM 917 CB ALA A 60 -7.181 -2.702 -8.240 1.00 0.65 C ATOM 0 H ALA A 60 -6.527 -4.470 -9.849 1.00 0.59 H new ATOM 0 HA ALA A 60 -6.942 -4.468 -7.030 1.00 0.62 H new ATOM 0 HB1 ALA A 60 -7.647 -2.110 -7.453 1.00 0.65 H new ATOM 0 HB2 ALA A 60 -6.110 -2.501 -8.259 1.00 0.65 H new ATOM 0 HB3 ALA A 60 -7.617 -2.434 -9.202 1.00 0.65 H new ATOM 923 N MET A 61 -9.645 -4.564 -8.936 1.00 0.68 N ATOM 924 CA MET A 61 -11.085 -4.881 -8.954 1.00 0.76 C ATOM 925 C MET A 61 -11.410 -6.164 -8.175 1.00 0.76 C ATOM 926 O MET A 61 -12.489 -6.278 -7.589 1.00 0.84 O ATOM 927 CB MET A 61 -11.570 -5.051 -10.403 1.00 0.87 C ATOM 928 CG MET A 61 -11.363 -3.820 -11.293 1.00 0.85 C ATOM 929 SD MET A 61 -12.310 -2.348 -10.844 1.00 1.52 S ATOM 930 CE MET A 61 -13.960 -2.998 -11.168 1.00 1.77 C ATOM 0 H MET A 61 -9.249 -4.435 -9.867 1.00 0.68 H new ATOM 0 HA MET A 61 -11.597 -4.048 -8.472 1.00 0.76 H new ATOM 0 HB2 MET A 61 -11.049 -5.898 -10.850 1.00 0.87 H new ATOM 0 HB3 MET A 61 -12.631 -5.300 -10.390 1.00 0.87 H new ATOM 0 HG2 MET A 61 -10.304 -3.563 -11.283 1.00 0.85 H new ATOM 0 HG3 MET A 61 -11.615 -4.091 -12.318 1.00 0.85 H new ATOM 0 HE1 MET A 61 -14.661 -2.171 -11.281 1.00 1.77 H new ATOM 0 HE2 MET A 61 -13.945 -3.588 -12.084 1.00 1.77 H new ATOM 0 HE3 MET A 61 -14.273 -3.628 -10.335 1.00 1.77 H new ATOM 940 N LEU A 62 -10.461 -7.106 -8.148 1.00 0.74 N ATOM 941 CA LEU A 62 -10.454 -8.309 -7.337 1.00 0.81 C ATOM 942 C LEU A 62 -9.973 -8.061 -5.898 1.00 0.80 C ATOM 943 O LEU A 62 -10.652 -8.444 -4.948 1.00 0.94 O ATOM 944 CB LEU A 62 -9.511 -9.278 -8.055 1.00 0.94 C ATOM 945 CG LEU A 62 -9.438 -10.669 -7.418 1.00 1.46 C ATOM 946 CD1 LEU A 62 -10.752 -11.435 -7.574 1.00 2.48 C ATOM 947 CD2 LEU A 62 -8.325 -11.464 -8.091 1.00 2.10 C ATOM 0 H LEU A 62 -9.628 -7.036 -8.733 1.00 0.74 H new ATOM 0 HA LEU A 62 -11.466 -8.701 -7.236 1.00 0.81 H new ATOM 0 HB2 LEU A 62 -9.834 -9.381 -9.091 1.00 0.94 H new ATOM 0 HB3 LEU A 62 -8.510 -8.846 -8.075 1.00 0.94 H new ATOM 0 HG LEU A 62 -9.242 -10.542 -6.353 1.00 1.46 H new ATOM 0 HD11 LEU A 62 -10.658 -12.416 -7.109 1.00 2.48 H new ATOM 0 HD12 LEU A 62 -11.556 -10.880 -7.091 1.00 2.48 H new ATOM 0 HD13 LEU A 62 -10.979 -11.556 -8.633 1.00 2.48 H new ATOM 0 HD21 LEU A 62 -8.265 -12.456 -7.644 1.00 2.10 H new ATOM 0 HD22 LEU A 62 -8.538 -11.558 -9.156 1.00 2.10 H new ATOM 0 HD23 LEU A 62 -7.375 -10.947 -7.955 1.00 2.10 H new ATOM 959 N LEU A 63 -8.788 -7.464 -5.711 1.00 0.73 N ATOM 960 CA LEU A 63 -8.120 -7.456 -4.411 1.00 0.82 C ATOM 961 C LEU A 63 -8.845 -6.554 -3.412 1.00 0.85 C ATOM 962 O LEU A 63 -8.941 -6.890 -2.232 1.00 0.98 O ATOM 963 CB LEU A 63 -6.653 -7.068 -4.653 1.00 0.98 C ATOM 964 CG LEU A 63 -5.764 -7.065 -3.399 1.00 1.13 C ATOM 965 CD1 LEU A 63 -4.334 -7.370 -3.830 1.00 2.44 C ATOM 966 CD2 LEU A 63 -5.763 -5.709 -2.685 1.00 1.87 C ATOM 0 H LEU A 63 -8.275 -6.980 -6.448 1.00 0.73 H new ATOM 0 HA LEU A 63 -8.148 -8.442 -3.947 1.00 0.82 H new ATOM 0 HB2 LEU A 63 -6.226 -7.758 -5.380 1.00 0.98 H new ATOM 0 HB3 LEU A 63 -6.625 -6.075 -5.102 1.00 0.98 H new ATOM 0 HG LEU A 63 -6.158 -7.811 -2.708 1.00 1.13 H new ATOM 0 HD11 LEU A 63 -3.683 -7.373 -2.956 1.00 2.44 H new ATOM 0 HD12 LEU A 63 -4.300 -8.347 -4.312 1.00 2.44 H new ATOM 0 HD13 LEU A 63 -3.995 -6.608 -4.532 1.00 2.44 H new ATOM 0 HD21 LEU A 63 -5.120 -5.761 -1.806 1.00 1.87 H new ATOM 0 HD22 LEU A 63 -5.390 -4.941 -3.363 1.00 1.87 H new ATOM 0 HD23 LEU A 63 -6.778 -5.459 -2.377 1.00 1.87 H new ATOM 978 N PHE A 64 -9.407 -5.444 -3.890 1.00 0.79 N ATOM 979 CA PHE A 64 -10.170 -4.533 -3.031 1.00 0.85 C ATOM 980 C PHE A 64 -11.472 -5.204 -2.557 1.00 0.88 C ATOM 981 O PHE A 64 -11.806 -5.154 -1.376 1.00 0.98 O ATOM 982 CB PHE A 64 -10.376 -3.170 -3.724 1.00 0.83 C ATOM 983 CG PHE A 64 -11.796 -2.872 -4.169 1.00 0.77 C ATOM 984 CD1 PHE A 64 -12.318 -3.438 -5.347 1.00 1.91 C ATOM 985 CD2 PHE A 64 -12.620 -2.069 -3.359 1.00 2.07 C ATOM 986 CE1 PHE A 64 -13.662 -3.225 -5.699 1.00 1.85 C ATOM 987 CE2 PHE A 64 -13.959 -1.840 -3.722 1.00 2.12 C ATOM 988 CZ PHE A 64 -14.484 -2.432 -4.881 1.00 0.76 C ATOM 0 H PHE A 64 -9.350 -5.152 -4.866 1.00 0.79 H new ATOM 0 HA PHE A 64 -9.600 -4.317 -2.127 1.00 0.85 H new ATOM 0 HB2 PHE A 64 -10.055 -2.383 -3.042 1.00 0.83 H new ATOM 0 HB3 PHE A 64 -9.723 -3.123 -4.596 1.00 0.83 H new ATOM 0 HD1 PHE A 64 -11.684 -4.038 -5.983 1.00 1.91 H new ATOM 0 HD2 PHE A 64 -12.223 -1.628 -2.457 1.00 2.07 H new ATOM 0 HE1 PHE A 64 -14.062 -3.671 -6.598 1.00 1.85 H new ATOM 0 HE2 PHE A 64 -14.584 -1.208 -3.108 1.00 2.12 H new ATOM 0 HZ PHE A 64 -15.520 -2.278 -5.144 1.00 0.76 H new ATOM 998 N GLU A 65 -12.155 -5.920 -3.455 1.00 0.87 N ATOM 999 CA GLU A 65 -13.355 -6.708 -3.195 1.00 0.95 C ATOM 1000 C GLU A 65 -13.071 -7.829 -2.179 1.00 1.01 C ATOM 1001 O GLU A 65 -13.835 -8.011 -1.226 1.00 1.26 O ATOM 1002 CB GLU A 65 -13.847 -7.185 -4.577 1.00 1.07 C ATOM 1003 CG GLU A 65 -14.752 -8.412 -4.619 1.00 1.32 C ATOM 1004 CD GLU A 65 -16.134 -8.184 -4.006 1.00 2.34 C ATOM 1005 OE1 GLU A 65 -16.929 -7.387 -4.561 1.00 3.06 O ATOM 1006 OE2 GLU A 65 -16.475 -8.864 -3.009 1.00 3.63 O ATOM 0 H GLU A 65 -11.868 -5.965 -4.433 1.00 0.87 H new ATOM 0 HA GLU A 65 -14.149 -6.134 -2.717 1.00 0.95 H new ATOM 0 HB2 GLU A 65 -14.379 -6.359 -5.048 1.00 1.07 H new ATOM 0 HB3 GLU A 65 -12.971 -7.392 -5.192 1.00 1.07 H new ATOM 0 HG2 GLU A 65 -14.873 -8.727 -5.656 1.00 1.32 H new ATOM 0 HG3 GLU A 65 -14.262 -9.231 -4.092 1.00 1.32 H new ATOM 1013 N GLN A 66 -11.932 -8.514 -2.307 1.00 0.96 N ATOM 1014 CA GLN A 66 -11.538 -9.579 -1.384 1.00 1.04 C ATOM 1015 C GLN A 66 -11.038 -9.081 -0.014 1.00 1.09 C ATOM 1016 O GLN A 66 -11.126 -9.829 0.963 1.00 1.29 O ATOM 1017 CB GLN A 66 -10.505 -10.505 -2.048 1.00 1.18 C ATOM 1018 CG GLN A 66 -11.060 -11.319 -3.235 1.00 2.03 C ATOM 1019 CD GLN A 66 -10.032 -12.294 -3.812 1.00 2.85 C ATOM 1020 OE1 GLN A 66 -8.856 -12.308 -3.460 1.00 3.63 O ATOM 1021 NE2 GLN A 66 -10.429 -13.210 -4.665 1.00 3.76 N ATOM 0 H GLN A 66 -11.258 -8.345 -3.054 1.00 0.96 H new ATOM 0 HA GLN A 66 -12.447 -10.140 -1.167 1.00 1.04 H new ATOM 0 HB2 GLN A 66 -9.664 -9.904 -2.395 1.00 1.18 H new ATOM 0 HB3 GLN A 66 -10.116 -11.195 -1.299 1.00 1.18 H new ATOM 0 HG2 GLN A 66 -11.940 -11.875 -2.910 1.00 2.03 H new ATOM 0 HG3 GLN A 66 -11.386 -10.635 -4.019 1.00 2.03 H new ATOM 0 HE21 GLN A 66 -11.399 -13.228 -4.979 1.00 3.76 H new ATOM 0 HE22 GLN A 66 -9.767 -13.903 -5.013 1.00 3.76 H new ATOM 1030 N TYR A 67 -10.608 -7.822 0.105 1.00 1.10 N ATOM 1031 CA TYR A 67 -10.378 -7.136 1.385 1.00 1.24 C ATOM 1032 C TYR A 67 -11.601 -6.291 1.820 1.00 1.37 C ATOM 1033 O TYR A 67 -11.480 -5.139 2.248 1.00 1.77 O ATOM 1034 CB TYR A 67 -9.040 -6.383 1.361 1.00 1.24 C ATOM 1035 CG TYR A 67 -7.809 -7.242 1.620 1.00 1.12 C ATOM 1036 CD1 TYR A 67 -7.529 -7.663 2.936 1.00 2.10 C ATOM 1037 CD2 TYR A 67 -6.912 -7.562 0.581 1.00 2.30 C ATOM 1038 CE1 TYR A 67 -6.347 -8.376 3.217 1.00 2.44 C ATOM 1039 CE2 TYR A 67 -5.724 -8.276 0.858 1.00 2.23 C ATOM 1040 CZ TYR A 67 -5.432 -8.671 2.183 1.00 1.57 C ATOM 1041 OH TYR A 67 -4.278 -9.324 2.491 1.00 1.98 O ATOM 0 H TYR A 67 -10.404 -7.235 -0.704 1.00 1.10 H new ATOM 0 HA TYR A 67 -10.280 -7.880 2.176 1.00 1.24 H new ATOM 0 HB2 TYR A 67 -8.930 -5.901 0.389 1.00 1.24 H new ATOM 0 HB3 TYR A 67 -9.074 -5.590 2.108 1.00 1.24 H new ATOM 0 HD1 TYR A 67 -8.223 -7.438 3.732 1.00 2.10 H new ATOM 0 HD2 TYR A 67 -7.134 -7.260 -0.432 1.00 2.30 H new ATOM 0 HE1 TYR A 67 -6.140 -8.698 4.227 1.00 2.44 H new ATOM 0 HE2 TYR A 67 -5.040 -8.519 0.058 1.00 2.23 H new ATOM 0 HH TYR A 67 -3.750 -9.457 1.676 1.00 1.98 H new ATOM 1051 N ASN A 68 -12.798 -6.887 1.736 1.00 1.26 N ATOM 1052 CA ASN A 68 -14.079 -6.356 2.230 1.00 1.35 C ATOM 1053 C ASN A 68 -14.530 -5.016 1.599 1.00 1.25 C ATOM 1054 O ASN A 68 -15.284 -4.253 2.211 1.00 1.24 O ATOM 1055 CB ASN A 68 -14.063 -6.384 3.773 1.00 1.56 C ATOM 1056 CG ASN A 68 -15.442 -6.270 4.399 1.00 2.10 C ATOM 1057 OD1 ASN A 68 -16.392 -6.938 4.008 1.00 2.56 O ATOM 1058 ND2 ASN A 68 -15.597 -5.428 5.388 1.00 2.54 N ATOM 0 H ASN A 68 -12.906 -7.802 1.298 1.00 1.26 H new ATOM 0 HA ASN A 68 -14.876 -7.014 1.883 1.00 1.35 H new ATOM 0 HB2 ASN A 68 -13.598 -7.312 4.106 1.00 1.56 H new ATOM 0 HB3 ASN A 68 -13.440 -5.567 4.136 1.00 1.56 H new ATOM 0 HD21 ASN A 68 -16.509 -5.327 5.834 1.00 2.54 H new ATOM 0 HD22 ASN A 68 -14.806 -4.872 5.713 1.00 2.54 H new ATOM 1065 N ARG A 69 -14.067 -4.732 0.370 1.00 1.28 N ATOM 1066 CA ARG A 69 -14.387 -3.543 -0.459 1.00 1.35 C ATOM 1067 C ARG A 69 -14.371 -2.166 0.229 1.00 1.23 C ATOM 1068 O ARG A 69 -15.100 -1.264 -0.182 1.00 1.72 O ATOM 1069 CB ARG A 69 -15.635 -3.807 -1.337 1.00 1.65 C ATOM 1070 CG ARG A 69 -16.915 -4.245 -0.610 1.00 1.90 C ATOM 1071 CD ARG A 69 -18.031 -4.477 -1.637 1.00 1.78 C ATOM 1072 NE ARG A 69 -19.188 -5.166 -1.046 1.00 2.79 N ATOM 1073 CZ ARG A 69 -20.280 -4.587 -0.516 1.00 4.08 C ATOM 1074 NH1 ARG A 69 -20.409 -3.253 -0.441 1.00 4.95 N ATOM 1075 NH2 ARG A 69 -21.267 -5.367 -0.053 1.00 5.28 N ATOM 0 H ARG A 69 -13.420 -5.360 -0.106 1.00 1.28 H new ATOM 0 HA ARG A 69 -13.522 -3.428 -1.113 1.00 1.35 H new ATOM 0 HB2 ARG A 69 -15.856 -2.897 -1.895 1.00 1.65 H new ATOM 0 HB3 ARG A 69 -15.380 -4.575 -2.067 1.00 1.65 H new ATOM 0 HG2 ARG A 69 -16.731 -5.158 -0.044 1.00 1.90 H new ATOM 0 HG3 ARG A 69 -17.218 -3.482 0.107 1.00 1.90 H new ATOM 0 HD2 ARG A 69 -18.350 -3.519 -2.048 1.00 1.78 H new ATOM 0 HD3 ARG A 69 -17.643 -5.067 -2.467 1.00 1.78 H new ATOM 0 HE ARG A 69 -19.159 -6.186 -1.037 1.00 2.79 H new ATOM 0 HH11 ARG A 69 -19.666 -2.648 -0.792 1.00 4.95 H new ATOM 0 HH12 ARG A 69 -21.250 -2.844 -0.033 1.00 4.95 H new ATOM 0 HH21 ARG A 69 -21.182 -6.382 -0.106 1.00 5.28 H new ATOM 0 HH22 ARG A 69 -22.103 -4.945 0.352 1.00 5.28 H new ATOM 1089 N LEU A 70 -13.506 -1.961 1.227 1.00 1.08 N ATOM 1090 CA LEU A 70 -13.338 -0.664 1.907 1.00 1.10 C ATOM 1091 C LEU A 70 -12.870 0.454 0.951 1.00 1.22 C ATOM 1092 O LEU A 70 -13.338 1.588 1.069 1.00 2.32 O ATOM 1093 CB LEU A 70 -12.385 -0.881 3.095 1.00 1.29 C ATOM 1094 CG LEU A 70 -12.111 0.350 3.993 1.00 1.62 C ATOM 1095 CD1 LEU A 70 -11.723 -0.119 5.392 1.00 2.49 C ATOM 1096 CD2 LEU A 70 -10.960 1.232 3.490 1.00 3.24 C ATOM 0 H LEU A 70 -12.896 -2.693 1.592 1.00 1.08 H new ATOM 0 HA LEU A 70 -14.301 -0.311 2.274 1.00 1.10 H new ATOM 0 HB2 LEU A 70 -12.794 -1.675 3.720 1.00 1.29 H new ATOM 0 HB3 LEU A 70 -11.432 -1.239 2.707 1.00 1.29 H new ATOM 0 HG LEU A 70 -13.030 0.936 3.983 1.00 1.62 H new ATOM 0 HD11 LEU A 70 -11.530 0.747 6.025 1.00 2.49 H new ATOM 0 HD12 LEU A 70 -12.537 -0.706 5.818 1.00 2.49 H new ATOM 0 HD13 LEU A 70 -10.825 -0.734 5.334 1.00 2.49 H new ATOM 0 HD21 LEU A 70 -10.825 2.075 4.168 1.00 3.24 H new ATOM 0 HD22 LEU A 70 -10.042 0.646 3.452 1.00 3.24 H new ATOM 0 HD23 LEU A 70 -11.195 1.603 2.492 1.00 3.24 H new ATOM 1108 N ALA A 71 -12.006 0.116 -0.016 1.00 0.91 N ATOM 1109 CA ALA A 71 -11.464 1.003 -1.050 1.00 0.84 C ATOM 1110 C ALA A 71 -10.720 2.225 -0.477 1.00 1.11 C ATOM 1111 O ALA A 71 -11.260 3.338 -0.448 1.00 2.32 O ATOM 1112 CB ALA A 71 -12.576 1.379 -2.043 1.00 0.85 C ATOM 0 H ALA A 71 -11.648 -0.835 -0.101 1.00 0.91 H new ATOM 0 HA ALA A 71 -10.694 0.457 -1.594 1.00 0.84 H new ATOM 0 HB1 ALA A 71 -12.171 2.038 -2.811 1.00 0.85 H new ATOM 0 HB2 ALA A 71 -12.967 0.475 -2.510 1.00 0.85 H new ATOM 0 HB3 ALA A 71 -13.380 1.890 -1.513 1.00 0.85 H new ATOM 1118 N MET A 72 -9.478 2.039 -0.010 1.00 0.69 N ATOM 1119 CA MET A 72 -8.671 3.161 0.490 1.00 0.71 C ATOM 1120 C MET A 72 -8.473 4.226 -0.616 1.00 0.65 C ATOM 1121 O MET A 72 -8.346 3.863 -1.792 1.00 0.69 O ATOM 1122 CB MET A 72 -7.367 2.683 1.164 1.00 1.07 C ATOM 1123 CG MET A 72 -6.145 2.528 0.248 1.00 0.81 C ATOM 1124 SD MET A 72 -4.685 1.849 1.116 1.00 0.73 S ATOM 1125 CE MET A 72 -3.445 2.029 -0.191 1.00 1.15 C ATOM 0 H MET A 72 -9.014 1.132 0.032 1.00 0.69 H new ATOM 0 HA MET A 72 -9.219 3.659 1.290 1.00 0.71 H new ATOM 0 HB2 MET A 72 -7.113 3.387 1.956 1.00 1.07 H new ATOM 0 HB3 MET A 72 -7.561 1.722 1.641 1.00 1.07 H new ATOM 0 HG2 MET A 72 -6.403 1.874 -0.585 1.00 0.81 H new ATOM 0 HG3 MET A 72 -5.890 3.499 -0.176 1.00 0.81 H new ATOM 0 HE1 MET A 72 -3.052 1.048 -0.457 1.00 1.15 H new ATOM 0 HE2 MET A 72 -3.904 2.486 -1.068 1.00 1.15 H new ATOM 0 HE3 MET A 72 -2.632 2.662 0.164 1.00 1.15 H new ATOM 1135 N PRO A 73 -8.503 5.531 -0.288 1.00 0.89 N ATOM 1136 CA PRO A 73 -8.490 6.608 -1.279 1.00 1.13 C ATOM 1137 C PRO A 73 -7.069 7.000 -1.704 1.00 1.25 C ATOM 1138 O PRO A 73 -6.087 6.596 -1.081 1.00 1.26 O ATOM 1139 CB PRO A 73 -9.197 7.765 -0.574 1.00 1.41 C ATOM 1140 CG PRO A 73 -8.756 7.600 0.878 1.00 1.46 C ATOM 1141 CD PRO A 73 -8.728 6.080 1.045 1.00 1.15 C ATOM 0 HA PRO A 73 -8.980 6.310 -2.206 1.00 1.13 H new ATOM 0 HB2 PRO A 73 -8.896 8.730 -0.981 1.00 1.41 H new ATOM 0 HB3 PRO A 73 -10.280 7.700 -0.677 1.00 1.41 H new ATOM 0 HG2 PRO A 73 -7.778 8.046 1.058 1.00 1.46 H new ATOM 0 HG3 PRO A 73 -9.454 8.071 1.570 1.00 1.46 H new ATOM 0 HD2 PRO A 73 -7.936 5.778 1.730 1.00 1.15 H new ATOM 0 HD3 PRO A 73 -9.667 5.716 1.463 1.00 1.15 H new ATOM 1149 N ASN A 74 -6.947 7.869 -2.711 1.00 1.41 N ATOM 1150 CA ASN A 74 -5.760 8.725 -2.807 1.00 1.45 C ATOM 1151 C ASN A 74 -5.743 9.652 -1.573 1.00 1.52 C ATOM 1152 O ASN A 74 -6.543 10.583 -1.468 1.00 2.36 O ATOM 1153 CB ASN A 74 -5.754 9.485 -4.146 1.00 1.51 C ATOM 1154 CG ASN A 74 -4.525 10.358 -4.349 1.00 1.54 C ATOM 1155 OD1 ASN A 74 -3.639 10.458 -3.509 1.00 1.44 O ATOM 1156 ND2 ASN A 74 -4.445 11.045 -5.462 1.00 2.30 N ATOM 0 H ASN A 74 -7.635 7.998 -3.453 1.00 1.41 H new ATOM 0 HA ASN A 74 -4.843 8.136 -2.802 1.00 1.45 H new ATOM 0 HB2 ASN A 74 -5.816 8.765 -4.962 1.00 1.51 H new ATOM 0 HB3 ASN A 74 -6.646 10.109 -4.203 1.00 1.51 H new ATOM 0 HD21 ASN A 74 -3.648 11.660 -5.626 1.00 2.30 H new ATOM 0 HD22 ASN A 74 -5.180 10.965 -6.165 1.00 2.30 H new ATOM 1163 N MET A 75 -4.882 9.334 -0.606 1.00 1.20 N ATOM 1164 CA MET A 75 -4.873 9.929 0.733 1.00 1.43 C ATOM 1165 C MET A 75 -4.341 11.374 0.725 1.00 1.57 C ATOM 1166 O MET A 75 -5.134 12.318 0.760 1.00 2.78 O ATOM 1167 CB MET A 75 -4.100 9.009 1.699 1.00 1.58 C ATOM 1168 CG MET A 75 -4.860 7.709 2.011 1.00 1.90 C ATOM 1169 SD MET A 75 -3.826 6.300 2.505 1.00 2.90 S ATOM 1170 CE MET A 75 -3.152 5.822 0.888 1.00 5.21 C ATOM 0 H MET A 75 -4.150 8.635 -0.735 1.00 1.20 H new ATOM 0 HA MET A 75 -5.900 10.008 1.090 1.00 1.43 H new ATOM 0 HB2 MET A 75 -3.131 8.764 1.264 1.00 1.58 H new ATOM 0 HB3 MET A 75 -3.906 9.545 2.628 1.00 1.58 H new ATOM 0 HG2 MET A 75 -5.576 7.909 2.808 1.00 1.90 H new ATOM 0 HG3 MET A 75 -5.435 7.424 1.130 1.00 1.90 H new ATOM 0 HE1 MET A 75 -3.427 4.790 0.670 1.00 5.21 H new ATOM 0 HE2 MET A 75 -3.557 6.477 0.117 1.00 5.21 H new ATOM 0 HE3 MET A 75 -2.066 5.912 0.906 1.00 5.21 H new ATOM 1180 N ARG A 76 -3.013 11.547 0.720 1.00 1.49 N ATOM 1181 CA ARG A 76 -2.303 12.836 0.890 1.00 2.03 C ATOM 1182 C ARG A 76 -0.816 12.809 0.483 1.00 1.50 C ATOM 1183 O ARG A 76 -0.087 13.775 0.733 1.00 1.65 O ATOM 1184 CB ARG A 76 -2.444 13.320 2.352 1.00 3.16 C ATOM 1185 CG ARG A 76 -1.862 12.349 3.397 1.00 5.25 C ATOM 1186 CD ARG A 76 -1.862 12.972 4.796 1.00 6.89 C ATOM 1187 NE ARG A 76 -0.811 13.992 4.932 1.00 7.55 N ATOM 1188 CZ ARG A 76 -0.677 14.848 5.960 1.00 8.99 C ATOM 1189 NH1 ARG A 76 -1.537 14.851 6.989 1.00 9.98 N ATOM 1190 NH2 ARG A 76 0.341 15.719 5.954 1.00 9.80 N ATOM 0 H ARG A 76 -2.371 10.765 0.593 1.00 1.49 H new ATOM 0 HA ARG A 76 -2.781 13.533 0.202 1.00 2.03 H new ATOM 0 HB2 ARG A 76 -1.948 14.285 2.453 1.00 3.16 H new ATOM 0 HB3 ARG A 76 -3.500 13.480 2.570 1.00 3.16 H new ATOM 0 HG2 ARG A 76 -2.446 11.429 3.406 1.00 5.25 H new ATOM 0 HG3 ARG A 76 -0.844 12.078 3.117 1.00 5.25 H new ATOM 0 HD2 ARG A 76 -2.835 13.422 4.995 1.00 6.89 H new ATOM 0 HD3 ARG A 76 -1.712 12.192 5.543 1.00 6.89 H new ATOM 0 HE ARG A 76 -0.124 14.055 4.181 1.00 7.55 H new ATOM 0 HH11 ARG A 76 -2.316 14.193 7.004 1.00 9.98 H new ATOM 0 HH12 ARG A 76 -1.412 15.511 7.756 1.00 9.98 H new ATOM 0 HH21 ARG A 76 1.001 15.726 5.177 1.00 9.80 H new ATOM 0 HH22 ARG A 76 0.456 16.375 6.727 1.00 9.80 H new ATOM 1204 N LEU A 77 -0.317 11.699 -0.059 1.00 1.22 N ATOM 1205 CA LEU A 77 1.112 11.371 -0.074 1.00 1.22 C ATOM 1206 C LEU A 77 1.894 12.119 -1.164 1.00 1.40 C ATOM 1207 O LEU A 77 1.410 12.258 -2.291 1.00 1.68 O ATOM 1208 CB LEU A 77 1.308 9.849 -0.230 1.00 1.24 C ATOM 1209 CG LEU A 77 0.524 8.961 0.756 1.00 1.17 C ATOM 1210 CD1 LEU A 77 0.750 7.495 0.391 1.00 1.63 C ATOM 1211 CD2 LEU A 77 0.926 9.184 2.215 1.00 2.06 C ATOM 0 H LEU A 77 -0.900 10.991 -0.507 1.00 1.22 H new ATOM 0 HA LEU A 77 1.516 11.701 0.883 1.00 1.22 H new ATOM 0 HB2 LEU A 77 1.025 9.569 -1.244 1.00 1.24 H new ATOM 0 HB3 LEU A 77 2.370 9.627 -0.123 1.00 1.24 H new ATOM 0 HG LEU A 77 -0.528 9.233 0.670 1.00 1.17 H new ATOM 0 HD11 LEU A 77 0.199 6.859 1.083 1.00 1.63 H new ATOM 0 HD12 LEU A 77 0.399 7.315 -0.625 1.00 1.63 H new ATOM 0 HD13 LEU A 77 1.813 7.264 0.454 1.00 1.63 H new ATOM 0 HD21 LEU A 77 0.338 8.529 2.858 1.00 2.06 H new ATOM 0 HD22 LEU A 77 1.985 8.959 2.339 1.00 2.06 H new ATOM 0 HD23 LEU A 77 0.741 10.223 2.489 1.00 2.06 H new ATOM 1223 N GLY A 78 3.119 12.537 -0.842 1.00 1.39 N ATOM 1224 CA GLY A 78 4.114 12.995 -1.821 1.00 1.54 C ATOM 1225 C GLY A 78 4.964 11.850 -2.398 1.00 1.22 C ATOM 1226 O GLY A 78 5.070 10.779 -1.802 1.00 0.99 O ATOM 0 H GLY A 78 3.456 12.568 0.120 1.00 1.39 H new ATOM 0 HA2 GLY A 78 3.603 13.507 -2.637 1.00 1.54 H new ATOM 0 HA3 GLY A 78 4.771 13.725 -1.348 1.00 1.54 H new ATOM 1230 N ASP A 79 5.611 12.064 -3.545 1.00 1.29 N ATOM 1231 CA ASP A 79 6.414 11.039 -4.236 1.00 1.16 C ATOM 1232 C ASP A 79 7.595 10.536 -3.382 1.00 0.98 C ATOM 1233 O ASP A 79 7.889 9.336 -3.346 1.00 1.16 O ATOM 1234 CB ASP A 79 6.915 11.621 -5.570 1.00 1.34 C ATOM 1235 CG ASP A 79 7.258 10.541 -6.595 1.00 1.97 C ATOM 1236 OD1 ASP A 79 8.279 9.831 -6.430 1.00 2.98 O ATOM 1237 OD2 ASP A 79 6.486 10.405 -7.574 1.00 2.87 O ATOM 0 H ASP A 79 5.596 12.961 -4.030 1.00 1.29 H new ATOM 0 HA ASP A 79 5.779 10.172 -4.417 1.00 1.16 H new ATOM 0 HB2 ASP A 79 6.151 12.279 -5.984 1.00 1.34 H new ATOM 0 HB3 ASP A 79 7.797 12.234 -5.385 1.00 1.34 H new ATOM 1242 N ALA A 80 8.241 11.435 -2.630 1.00 1.02 N ATOM 1243 CA ALA A 80 9.323 11.087 -1.713 1.00 0.96 C ATOM 1244 C ALA A 80 8.815 10.350 -0.455 1.00 0.82 C ATOM 1245 O ALA A 80 9.490 9.458 0.059 1.00 0.90 O ATOM 1246 CB ALA A 80 10.085 12.367 -1.358 1.00 1.21 C ATOM 0 H ALA A 80 8.023 12.431 -2.644 1.00 1.02 H new ATOM 0 HA ALA A 80 9.996 10.385 -2.205 1.00 0.96 H new ATOM 0 HB1 ALA A 80 10.898 12.128 -0.673 1.00 1.21 H new ATOM 0 HB2 ALA A 80 10.494 12.811 -2.266 1.00 1.21 H new ATOM 0 HB3 ALA A 80 9.406 13.075 -0.882 1.00 1.21 H new ATOM 1252 N GLU A 81 7.602 10.656 0.007 1.00 0.82 N ATOM 1253 CA GLU A 81 6.935 10.013 1.131 1.00 0.79 C ATOM 1254 C GLU A 81 6.502 8.577 0.777 1.00 0.69 C ATOM 1255 O GLU A 81 6.763 7.647 1.543 1.00 0.67 O ATOM 1256 CB GLU A 81 5.793 10.965 1.512 1.00 0.93 C ATOM 1257 CG GLU A 81 4.742 10.402 2.447 1.00 1.78 C ATOM 1258 CD GLU A 81 3.882 11.545 3.008 1.00 1.79 C ATOM 1259 OE1 GLU A 81 3.413 12.398 2.213 1.00 1.90 O ATOM 1260 OE2 GLU A 81 3.728 11.633 4.249 1.00 2.76 O ATOM 0 H GLU A 81 7.035 11.392 -0.414 1.00 0.82 H new ATOM 0 HA GLU A 81 7.585 9.864 1.994 1.00 0.79 H new ATOM 0 HB2 GLU A 81 6.225 11.852 1.975 1.00 0.93 H new ATOM 0 HB3 GLU A 81 5.299 11.292 0.597 1.00 0.93 H new ATOM 0 HG2 GLU A 81 4.113 9.688 1.915 1.00 1.78 H new ATOM 0 HG3 GLU A 81 5.220 9.860 3.263 1.00 1.78 H new ATOM 1267 N VAL A 82 5.979 8.358 -0.440 1.00 0.67 N ATOM 1268 CA VAL A 82 5.813 7.010 -1.014 1.00 0.62 C ATOM 1269 C VAL A 82 7.175 6.312 -1.118 1.00 0.62 C ATOM 1270 O VAL A 82 7.317 5.187 -0.647 1.00 0.62 O ATOM 1271 CB VAL A 82 5.096 7.055 -2.387 1.00 0.70 C ATOM 1272 CG1 VAL A 82 4.969 5.670 -3.042 1.00 0.79 C ATOM 1273 CG2 VAL A 82 3.670 7.602 -2.249 1.00 0.77 C ATOM 0 H VAL A 82 5.660 9.107 -1.054 1.00 0.67 H new ATOM 0 HA VAL A 82 5.176 6.432 -0.345 1.00 0.62 H new ATOM 0 HB VAL A 82 5.716 7.702 -3.007 1.00 0.70 H new ATOM 0 HG11 VAL A 82 4.459 5.766 -4.000 1.00 0.79 H new ATOM 0 HG12 VAL A 82 5.962 5.250 -3.200 1.00 0.79 H new ATOM 0 HG13 VAL A 82 4.396 5.010 -2.390 1.00 0.79 H new ATOM 0 HG21 VAL A 82 3.192 7.622 -3.228 1.00 0.77 H new ATOM 0 HG22 VAL A 82 3.098 6.961 -1.579 1.00 0.77 H new ATOM 0 HG23 VAL A 82 3.706 8.613 -1.842 1.00 0.77 H new ATOM 1283 N SER A 83 8.209 6.983 -1.641 1.00 0.69 N ATOM 1284 CA SER A 83 9.561 6.407 -1.789 1.00 0.75 C ATOM 1285 C SER A 83 10.196 5.969 -0.454 1.00 0.67 C ATOM 1286 O SER A 83 10.979 5.019 -0.432 1.00 0.76 O ATOM 1287 CB SER A 83 10.500 7.394 -2.496 1.00 0.94 C ATOM 1288 OG SER A 83 10.012 7.771 -3.776 1.00 2.11 O ATOM 0 H SER A 83 8.136 7.944 -1.976 1.00 0.69 H new ATOM 0 HA SER A 83 9.431 5.510 -2.394 1.00 0.75 H new ATOM 0 HB2 SER A 83 10.622 8.284 -1.878 1.00 0.94 H new ATOM 0 HB3 SER A 83 11.486 6.942 -2.603 1.00 0.94 H new ATOM 0 HG SER A 83 9.108 8.139 -3.686 1.00 2.11 H new ATOM 1294 N ALA A 84 9.850 6.618 0.665 1.00 0.67 N ATOM 1295 CA ALA A 84 10.259 6.214 2.011 1.00 0.65 C ATOM 1296 C ALA A 84 9.448 5.014 2.544 1.00 0.55 C ATOM 1297 O ALA A 84 10.020 4.062 3.074 1.00 0.53 O ATOM 1298 CB ALA A 84 10.148 7.434 2.934 1.00 0.78 C ATOM 0 H ALA A 84 9.267 7.455 0.657 1.00 0.67 H new ATOM 0 HA ALA A 84 11.292 5.868 1.979 1.00 0.65 H new ATOM 0 HB1 ALA A 84 10.449 7.155 3.944 1.00 0.78 H new ATOM 0 HB2 ALA A 84 10.799 8.228 2.568 1.00 0.78 H new ATOM 0 HB3 ALA A 84 9.117 7.788 2.947 1.00 0.78 H new ATOM 1304 N LEU A 85 8.121 5.014 2.363 1.00 0.57 N ATOM 1305 CA LEU A 85 7.233 3.912 2.774 1.00 0.57 C ATOM 1306 C LEU A 85 7.499 2.607 1.992 1.00 0.53 C ATOM 1307 O LEU A 85 7.409 1.517 2.555 1.00 0.58 O ATOM 1308 CB LEU A 85 5.775 4.379 2.608 1.00 0.72 C ATOM 1309 CG LEU A 85 5.328 5.427 3.649 1.00 1.27 C ATOM 1310 CD1 LEU A 85 4.023 6.086 3.202 1.00 2.35 C ATOM 1311 CD2 LEU A 85 5.088 4.790 5.021 1.00 1.83 C ATOM 0 H LEU A 85 7.625 5.788 1.922 1.00 0.57 H new ATOM 0 HA LEU A 85 7.434 3.671 3.818 1.00 0.57 H new ATOM 0 HB2 LEU A 85 5.650 4.798 1.609 1.00 0.72 H new ATOM 0 HB3 LEU A 85 5.117 3.512 2.675 1.00 0.72 H new ATOM 0 HG LEU A 85 6.128 6.164 3.728 1.00 1.27 H new ATOM 0 HD11 LEU A 85 3.716 6.824 3.943 1.00 2.35 H new ATOM 0 HD12 LEU A 85 4.174 6.578 2.241 1.00 2.35 H new ATOM 0 HD13 LEU A 85 3.247 5.327 3.103 1.00 2.35 H new ATOM 0 HD21 LEU A 85 4.775 5.558 5.729 1.00 1.83 H new ATOM 0 HD22 LEU A 85 4.309 4.032 4.939 1.00 1.83 H new ATOM 0 HD23 LEU A 85 6.010 4.326 5.373 1.00 1.83 H new ATOM 1323 N ILE A 86 7.905 2.722 0.726 1.00 0.53 N ATOM 1324 CA ILE A 86 8.349 1.621 -0.148 1.00 0.60 C ATOM 1325 C ILE A 86 9.622 0.983 0.419 1.00 0.62 C ATOM 1326 O ILE A 86 9.722 -0.246 0.473 1.00 0.76 O ATOM 1327 CB ILE A 86 8.511 2.152 -1.598 1.00 0.75 C ATOM 1328 CG1 ILE A 86 7.239 1.900 -2.436 1.00 0.91 C ATOM 1329 CG2 ILE A 86 9.687 1.540 -2.382 1.00 1.02 C ATOM 1330 CD1 ILE A 86 5.899 2.300 -1.802 1.00 0.88 C ATOM 0 H ILE A 86 7.937 3.626 0.255 1.00 0.53 H new ATOM 0 HA ILE A 86 7.602 0.828 -0.182 1.00 0.60 H new ATOM 0 HB ILE A 86 8.705 3.216 -1.459 1.00 0.75 H new ATOM 0 HG12 ILE A 86 7.342 2.437 -3.379 1.00 0.91 H new ATOM 0 HG13 ILE A 86 7.197 0.838 -2.677 1.00 0.91 H new ATOM 0 HG21 ILE A 86 9.721 1.971 -3.383 1.00 1.02 H new ATOM 0 HG22 ILE A 86 10.621 1.754 -1.863 1.00 1.02 H new ATOM 0 HG23 ILE A 86 9.553 0.461 -2.456 1.00 1.02 H new ATOM 0 HD11 ILE A 86 5.087 2.071 -2.492 1.00 0.88 H new ATOM 0 HD12 ILE A 86 5.755 1.745 -0.875 1.00 0.88 H new ATOM 0 HD13 ILE A 86 5.902 3.369 -1.588 1.00 0.88 H new ATOM 1342 N SER A 87 10.551 1.809 0.912 1.00 0.57 N ATOM 1343 CA SER A 87 11.762 1.340 1.590 1.00 0.62 C ATOM 1344 C SER A 87 11.447 0.704 2.946 1.00 0.64 C ATOM 1345 O SER A 87 12.062 -0.302 3.284 1.00 0.81 O ATOM 1346 CB SER A 87 12.776 2.480 1.737 1.00 0.66 C ATOM 1347 OG SER A 87 14.089 1.952 1.767 1.00 2.03 O ATOM 0 H SER A 87 10.483 2.825 0.851 1.00 0.57 H new ATOM 0 HA SER A 87 12.206 0.563 0.968 1.00 0.62 H new ATOM 0 HB2 SER A 87 12.674 3.179 0.907 1.00 0.66 H new ATOM 0 HB3 SER A 87 12.578 3.040 2.651 1.00 0.66 H new ATOM 0 HG SER A 87 14.249 1.522 2.633 1.00 2.03 H new ATOM 1353 N TYR A 88 10.457 1.202 3.704 1.00 0.58 N ATOM 1354 CA TYR A 88 10.086 0.553 4.978 1.00 0.64 C ATOM 1355 C TYR A 88 9.487 -0.847 4.768 1.00 0.64 C ATOM 1356 O TYR A 88 9.871 -1.787 5.461 1.00 0.76 O ATOM 1357 CB TYR A 88 9.159 1.454 5.813 1.00 0.71 C ATOM 1358 CG TYR A 88 8.741 0.893 7.168 1.00 0.79 C ATOM 1359 CD1 TYR A 88 9.718 0.426 8.071 1.00 2.41 C ATOM 1360 CD2 TYR A 88 7.381 0.856 7.544 1.00 1.57 C ATOM 1361 CE1 TYR A 88 9.340 -0.104 9.318 1.00 2.64 C ATOM 1362 CE2 TYR A 88 7.002 0.330 8.800 1.00 1.42 C ATOM 1363 CZ TYR A 88 7.982 -0.170 9.684 1.00 1.16 C ATOM 1364 OH TYR A 88 7.636 -0.705 10.889 1.00 1.41 O ATOM 0 H TYR A 88 9.910 2.030 3.468 1.00 0.58 H new ATOM 0 HA TYR A 88 11.006 0.411 5.545 1.00 0.64 H new ATOM 0 HB2 TYR A 88 9.659 2.409 5.974 1.00 0.71 H new ATOM 0 HB3 TYR A 88 8.260 1.658 5.231 1.00 0.71 H new ATOM 0 HD1 TYR A 88 10.763 0.476 7.804 1.00 2.41 H new ATOM 0 HD2 TYR A 88 6.626 1.231 6.869 1.00 1.57 H new ATOM 0 HE1 TYR A 88 10.097 -0.463 10.000 1.00 2.64 H new ATOM 0 HE2 TYR A 88 5.960 0.311 9.084 1.00 1.42 H new ATOM 0 HH TYR A 88 6.662 -0.677 10.992 1.00 1.41 H new ATOM 1374 N LEU A 89 8.616 -1.017 3.764 1.00 0.60 N ATOM 1375 CA LEU A 89 8.041 -2.329 3.433 1.00 0.66 C ATOM 1376 C LEU A 89 9.080 -3.328 2.887 1.00 0.74 C ATOM 1377 O LEU A 89 8.904 -4.528 3.087 1.00 1.05 O ATOM 1378 CB LEU A 89 6.846 -2.147 2.473 1.00 0.68 C ATOM 1379 CG LEU A 89 5.482 -2.080 3.190 1.00 0.94 C ATOM 1380 CD1 LEU A 89 5.349 -0.908 4.164 1.00 1.66 C ATOM 1381 CD2 LEU A 89 4.365 -1.957 2.150 1.00 1.42 C ATOM 0 H LEU A 89 8.293 -0.258 3.164 1.00 0.60 H new ATOM 0 HA LEU A 89 7.682 -2.776 4.360 1.00 0.66 H new ATOM 0 HB2 LEU A 89 6.989 -1.233 1.897 1.00 0.68 H new ATOM 0 HB3 LEU A 89 6.833 -2.973 1.762 1.00 0.68 H new ATOM 0 HG LEU A 89 5.404 -2.999 3.771 1.00 0.94 H new ATOM 0 HD11 LEU A 89 4.363 -0.930 4.628 1.00 1.66 H new ATOM 0 HD12 LEU A 89 6.115 -0.988 4.936 1.00 1.66 H new ATOM 0 HD13 LEU A 89 5.475 0.030 3.624 1.00 1.66 H new ATOM 0 HD21 LEU A 89 3.401 -1.910 2.656 1.00 1.42 H new ATOM 0 HD22 LEU A 89 4.512 -1.050 1.564 1.00 1.42 H new ATOM 0 HD23 LEU A 89 4.386 -2.824 1.489 1.00 1.42 H new ATOM 1393 N GLU A 90 10.155 -2.873 2.233 1.00 0.59 N ATOM 1394 CA GLU A 90 11.291 -3.734 1.857 1.00 0.66 C ATOM 1395 C GLU A 90 12.218 -4.078 3.042 1.00 0.68 C ATOM 1396 O GLU A 90 12.543 -5.251 3.244 1.00 0.79 O ATOM 1397 CB GLU A 90 12.082 -3.101 0.693 1.00 0.79 C ATOM 1398 CG GLU A 90 12.947 -4.165 0.000 1.00 1.12 C ATOM 1399 CD GLU A 90 13.870 -3.632 -1.105 1.00 1.53 C ATOM 1400 OE1 GLU A 90 13.501 -2.690 -1.848 1.00 2.44 O ATOM 1401 OE2 GLU A 90 14.975 -4.209 -1.268 1.00 2.44 O ATOM 0 H GLU A 90 10.265 -1.900 1.948 1.00 0.59 H new ATOM 0 HA GLU A 90 10.869 -4.683 1.526 1.00 0.66 H new ATOM 0 HB2 GLU A 90 11.393 -2.657 -0.026 1.00 0.79 H new ATOM 0 HB3 GLU A 90 12.714 -2.296 1.068 1.00 0.79 H new ATOM 0 HG2 GLU A 90 13.557 -4.663 0.754 1.00 1.12 H new ATOM 0 HG3 GLU A 90 12.291 -4.922 -0.429 1.00 1.12 H new ATOM 1408 N GLU A 91 12.638 -3.076 3.822 1.00 0.68 N ATOM 1409 CA GLU A 91 13.622 -3.215 4.907 1.00 0.82 C ATOM 1410 C GLU A 91 13.070 -3.988 6.113 1.00 0.90 C ATOM 1411 O GLU A 91 13.713 -4.924 6.591 1.00 1.07 O ATOM 1412 CB GLU A 91 14.117 -1.829 5.360 1.00 0.99 C ATOM 1413 CG GLU A 91 15.027 -1.125 4.339 1.00 1.35 C ATOM 1414 CD GLU A 91 15.362 0.300 4.799 1.00 2.39 C ATOM 1415 OE1 GLU A 91 15.973 0.470 5.879 1.00 2.85 O ATOM 1416 OE2 GLU A 91 14.989 1.298 4.127 1.00 3.96 O ATOM 0 H GLU A 91 12.296 -2.121 3.715 1.00 0.68 H new ATOM 0 HA GLU A 91 14.454 -3.793 4.504 1.00 0.82 H new ATOM 0 HB2 GLU A 91 13.254 -1.194 5.561 1.00 0.99 H new ATOM 0 HB3 GLU A 91 14.658 -1.937 6.300 1.00 0.99 H new ATOM 0 HG2 GLU A 91 15.947 -1.696 4.210 1.00 1.35 H new ATOM 0 HG3 GLU A 91 14.534 -1.092 3.368 1.00 1.35 H new ATOM 1423 N GLU A 92 11.865 -3.657 6.595 1.00 0.93 N ATOM 1424 CA GLU A 92 11.265 -4.347 7.746 1.00 1.16 C ATOM 1425 C GLU A 92 10.948 -5.811 7.395 1.00 1.20 C ATOM 1426 O GLU A 92 11.185 -6.705 8.207 1.00 1.38 O ATOM 1427 CB GLU A 92 10.012 -3.584 8.209 1.00 1.36 C ATOM 1428 CG GLU A 92 9.503 -3.987 9.605 1.00 2.14 C ATOM 1429 CD GLU A 92 10.308 -3.416 10.788 1.00 2.54 C ATOM 1430 OE1 GLU A 92 11.351 -2.738 10.617 1.00 3.25 O ATOM 1431 OE2 GLU A 92 9.864 -3.591 11.951 1.00 3.08 O ATOM 0 H GLU A 92 11.285 -2.914 6.205 1.00 0.93 H new ATOM 0 HA GLU A 92 11.977 -4.363 8.571 1.00 1.16 H new ATOM 0 HB2 GLU A 92 10.231 -2.516 8.210 1.00 1.36 H new ATOM 0 HB3 GLU A 92 9.214 -3.745 7.484 1.00 1.36 H new ATOM 0 HG2 GLU A 92 8.466 -3.665 9.703 1.00 2.14 H new ATOM 0 HG3 GLU A 92 9.507 -5.075 9.675 1.00 2.14 H new ATOM 1438 N THR A 93 10.521 -6.074 6.153 1.00 1.16 N ATOM 1439 CA THR A 93 10.361 -7.435 5.612 1.00 1.28 C ATOM 1440 C THR A 93 11.682 -8.207 5.638 1.00 1.26 C ATOM 1441 O THR A 93 11.697 -9.356 6.076 1.00 1.44 O ATOM 1442 CB THR A 93 9.803 -7.396 4.176 1.00 1.35 C ATOM 1443 OG1 THR A 93 8.474 -6.918 4.187 1.00 2.03 O ATOM 1444 CG2 THR A 93 9.761 -8.753 3.480 1.00 1.32 C ATOM 0 H THR A 93 10.274 -5.342 5.487 1.00 1.16 H new ATOM 0 HA THR A 93 9.648 -7.955 6.252 1.00 1.28 H new ATOM 0 HB THR A 93 10.487 -6.746 3.631 1.00 1.35 H new ATOM 0 HG1 THR A 93 8.403 -6.136 3.600 1.00 2.03 H new ATOM 0 HG21 THR A 93 9.355 -8.634 2.475 1.00 1.32 H new ATOM 0 HG22 THR A 93 10.770 -9.162 3.418 1.00 1.32 H new ATOM 0 HG23 THR A 93 9.128 -9.434 4.049 1.00 1.32 H new ATOM 1452 N ALA A 94 12.794 -7.597 5.217 1.00 1.15 N ATOM 1453 CA ALA A 94 14.105 -8.248 5.218 1.00 1.31 C ATOM 1454 C ALA A 94 14.618 -8.541 6.643 1.00 1.44 C ATOM 1455 O ALA A 94 15.195 -9.604 6.893 1.00 1.72 O ATOM 1456 CB ALA A 94 15.083 -7.369 4.431 1.00 1.31 C ATOM 0 H ALA A 94 12.810 -6.639 4.867 1.00 1.15 H new ATOM 0 HA ALA A 94 14.017 -9.222 4.737 1.00 1.31 H new ATOM 0 HB1 ALA A 94 16.067 -7.838 4.421 1.00 1.31 H new ATOM 0 HB2 ALA A 94 14.726 -7.253 3.408 1.00 1.31 H new ATOM 0 HB3 ALA A 94 15.153 -6.389 4.904 1.00 1.31 H new