USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 766 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 103 SER OG : rot -121:sc= 1.4 USER MOD Set 1.2: A 121 HIS : no HD1:sc= 1.09 K(o=2.5,f=-5.9!) USER MOD Single : A 25 THR OG1 : rot -26:sc= 0.647 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 166:sc= -0.986 (180deg=-1.46) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 53:sc= 1.23 USER MOD Single : A 53 SER OG : rot 79:sc= 1.2 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -2.17! USER MOD Single : A 64 SER OG : rot -91:sc= 0.101 USER MOD Single : A 67 THR OG1 : rot -47:sc= 0.65 USER MOD Single : A 68 HIS : no HD1:sc= -0.263 K(o=-0.26,f=-0.97) USER MOD Single : A 71 MET CE :methyl -168:sc= -3.78! (180deg=-4.04!) USER MOD Single : A 74 THR OG1 : rot -50:sc= 0.0284 USER MOD Single : A 75 SER OG : rot -93:sc= 1.27 USER MOD Single : A 81 SER OG : rot 70:sc= 0.941 USER MOD Single : A 83 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.45) USER MOD Single : A 87 MET CE :methyl 151:sc= -2.07 (180deg=-4.24!) USER MOD Single : A 94 CYS SG : rot -120:sc= -1.09 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc=0.000548 USER MOD Single : A 108 SER OG : rot 91:sc= -0.263! USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N THR A 25 4.447 -6.538 6.083 1.00 1.09 N ATOM 64 CA THR A 25 4.175 -5.918 4.801 1.00 0.85 C ATOM 65 C THR A 25 4.202 -6.978 3.694 1.00 1.01 C ATOM 66 O THR A 25 3.189 -7.633 3.454 1.00 1.99 O ATOM 67 CB THR A 25 5.162 -4.755 4.502 1.00 0.70 C ATOM 68 OG1 THR A 25 6.515 -5.236 4.415 1.00 0.83 O ATOM 69 CG2 THR A 25 5.099 -3.701 5.596 1.00 0.96 C ATOM 0 HA THR A 25 3.178 -5.478 4.837 1.00 0.85 H new ATOM 0 HB THR A 25 4.866 -4.319 3.548 1.00 0.70 H new ATOM 0 HG1 THR A 25 6.605 -6.057 4.943 1.00 0.83 H new ATOM 0 HG21 THR A 25 5.798 -2.896 5.367 1.00 0.96 H new ATOM 0 HG22 THR A 25 4.088 -3.298 5.655 1.00 0.96 H new ATOM 0 HG23 THR A 25 5.366 -4.152 6.552 1.00 0.96 H new ATOM 77 N ARG A 26 5.373 -7.160 3.070 1.00 0.78 N ATOM 78 CA ARG A 26 5.617 -8.217 2.087 1.00 0.81 C ATOM 79 C ARG A 26 6.888 -7.901 1.308 1.00 0.79 C ATOM 80 O ARG A 26 7.915 -8.561 1.460 1.00 0.95 O ATOM 81 CB ARG A 26 4.459 -8.353 1.091 1.00 1.04 C ATOM 82 CG ARG A 26 4.363 -9.718 0.421 1.00 1.15 C ATOM 83 CD ARG A 26 5.553 -10.022 -0.477 1.00 1.19 C ATOM 84 NE ARG A 26 5.255 -11.080 -1.439 1.00 1.65 N ATOM 85 CZ ARG A 26 5.898 -12.245 -1.498 1.00 1.90 C ATOM 86 NH1 ARG A 26 6.854 -12.535 -0.621 1.00 2.06 N ATOM 87 NH2 ARG A 26 5.573 -13.127 -2.434 1.00 2.51 N ATOM 0 H ARG A 26 6.187 -6.568 3.238 1.00 0.78 H new ATOM 0 HA ARG A 26 5.715 -9.155 2.633 1.00 0.81 H new ATOM 0 HB2 ARG A 26 3.523 -8.150 1.611 1.00 1.04 H new ATOM 0 HB3 ARG A 26 4.567 -7.590 0.320 1.00 1.04 H new ATOM 0 HG2 ARG A 26 4.287 -10.489 1.188 1.00 1.15 H new ATOM 0 HG3 ARG A 26 3.448 -9.764 -0.169 1.00 1.15 H new ATOM 0 HD2 ARG A 26 5.845 -9.118 -1.011 1.00 1.19 H new ATOM 0 HD3 ARG A 26 6.404 -10.318 0.136 1.00 1.19 H new ATOM 0 HE ARG A 26 4.505 -10.916 -2.110 1.00 1.65 H new ATOM 0 HH11 ARG A 26 7.101 -11.863 0.105 1.00 2.06 H new ATOM 0 HH12 ARG A 26 7.341 -13.430 -0.674 1.00 2.06 H new ATOM 0 HH21 ARG A 26 4.834 -12.911 -3.103 1.00 2.51 H new ATOM 0 HH22 ARG A 26 6.062 -14.021 -2.484 1.00 2.51 H new ATOM 101 N PHE A 27 6.801 -6.877 0.473 1.00 0.72 N ATOM 102 CA PHE A 27 7.873 -6.539 -0.447 1.00 0.77 C ATOM 103 C PHE A 27 8.281 -5.082 -0.281 1.00 0.71 C ATOM 104 O PHE A 27 7.519 -4.173 -0.607 1.00 0.72 O ATOM 105 CB PHE A 27 7.414 -6.821 -1.886 1.00 0.88 C ATOM 106 CG PHE A 27 8.334 -6.305 -2.959 1.00 0.78 C ATOM 107 CD1 PHE A 27 9.537 -6.942 -3.215 1.00 0.89 C ATOM 108 CD2 PHE A 27 8.003 -5.184 -3.703 1.00 0.96 C ATOM 109 CE1 PHE A 27 10.392 -6.478 -4.192 1.00 1.25 C ATOM 110 CE2 PHE A 27 8.854 -4.712 -4.684 1.00 1.35 C ATOM 111 CZ PHE A 27 10.012 -5.340 -4.953 1.00 1.51 C ATOM 0 H PHE A 27 5.990 -6.261 0.415 1.00 0.72 H new ATOM 0 HA PHE A 27 8.746 -7.153 -0.227 1.00 0.77 H new ATOM 0 HB2 PHE A 27 7.302 -7.898 -2.011 1.00 0.88 H new ATOM 0 HB3 PHE A 27 6.428 -6.379 -2.030 1.00 0.88 H new ATOM 0 HD1 PHE A 27 9.809 -7.815 -2.641 1.00 0.89 H new ATOM 0 HD2 PHE A 27 7.070 -4.674 -3.514 1.00 0.96 H new ATOM 0 HE1 PHE A 27 11.335 -6.971 -4.376 1.00 1.25 H new ATOM 0 HE2 PHE A 27 8.585 -3.827 -5.242 1.00 1.35 H new ATOM 0 HZ PHE A 27 10.652 -4.980 -5.745 1.00 1.51 H new ATOM 121 N PRO A 28 9.486 -4.846 0.258 1.00 0.72 N ATOM 122 CA PRO A 28 10.017 -3.496 0.430 1.00 0.81 C ATOM 123 C PRO A 28 10.376 -2.857 -0.909 1.00 1.01 C ATOM 124 O PRO A 28 10.479 -3.543 -1.927 1.00 2.02 O ATOM 125 CB PRO A 28 11.264 -3.708 1.290 1.00 0.91 C ATOM 126 CG PRO A 28 11.685 -5.110 1.018 1.00 1.03 C ATOM 127 CD PRO A 28 10.423 -5.879 0.737 1.00 0.76 C ATOM 0 HA PRO A 28 9.294 -2.819 0.885 1.00 0.81 H new ATOM 0 HB2 PRO A 28 12.051 -3.001 1.026 1.00 0.91 H new ATOM 0 HB3 PRO A 28 11.044 -3.560 2.347 1.00 0.91 H new ATOM 0 HG2 PRO A 28 12.366 -5.154 0.168 1.00 1.03 H new ATOM 0 HG3 PRO A 28 12.215 -5.530 1.873 1.00 1.03 H new ATOM 0 HD2 PRO A 28 10.584 -6.653 -0.013 1.00 0.76 H new ATOM 0 HD3 PRO A 28 10.049 -6.376 1.632 1.00 0.76 H new ATOM 135 N GLY A 29 10.561 -1.550 -0.905 1.00 0.67 N ATOM 136 CA GLY A 29 10.787 -0.829 -2.140 1.00 0.68 C ATOM 137 C GLY A 29 9.632 0.098 -2.437 1.00 0.65 C ATOM 138 O GLY A 29 9.816 1.306 -2.596 1.00 0.86 O ATOM 0 H GLY A 29 10.559 -0.971 -0.065 1.00 0.67 H new ATOM 0 HA2 GLY A 29 11.711 -0.255 -2.068 1.00 0.68 H new ATOM 0 HA3 GLY A 29 10.913 -1.535 -2.961 1.00 0.68 H new ATOM 142 N VAL A 30 8.433 -0.465 -2.497 1.00 0.69 N ATOM 143 CA VAL A 30 7.231 0.342 -2.610 1.00 0.68 C ATOM 144 C VAL A 30 6.607 0.501 -1.233 1.00 0.70 C ATOM 145 O VAL A 30 6.008 -0.431 -0.704 1.00 0.75 O ATOM 146 CB VAL A 30 6.174 -0.276 -3.556 1.00 0.70 C ATOM 147 CG1 VAL A 30 4.965 0.638 -3.672 1.00 1.01 C ATOM 148 CG2 VAL A 30 6.752 -0.559 -4.934 1.00 1.15 C ATOM 0 H VAL A 30 8.269 -1.471 -2.469 1.00 0.69 H new ATOM 0 HA VAL A 30 7.531 1.302 -3.030 1.00 0.68 H new ATOM 0 HB VAL A 30 5.862 -1.226 -3.123 1.00 0.70 H new ATOM 0 HG11 VAL A 30 4.232 0.188 -4.341 1.00 1.01 H new ATOM 0 HG12 VAL A 30 4.520 0.779 -2.687 1.00 1.01 H new ATOM 0 HG13 VAL A 30 5.276 1.604 -4.071 1.00 1.01 H new ATOM 0 HG21 VAL A 30 5.980 -0.992 -5.570 1.00 1.15 H new ATOM 0 HG22 VAL A 30 7.108 0.371 -5.377 1.00 1.15 H new ATOM 0 HG23 VAL A 30 7.583 -1.259 -4.843 1.00 1.15 H new ATOM 158 N ALA A 31 6.745 1.682 -0.658 1.00 0.71 N ATOM 159 CA ALA A 31 6.176 1.953 0.648 1.00 0.73 C ATOM 160 C ALA A 31 4.854 2.686 0.490 1.00 0.65 C ATOM 161 O ALA A 31 4.780 3.702 -0.208 1.00 0.76 O ATOM 162 CB ALA A 31 7.153 2.747 1.497 1.00 0.84 C ATOM 0 H ALA A 31 7.245 2.467 -1.075 1.00 0.71 H new ATOM 0 HA ALA A 31 5.985 1.010 1.161 1.00 0.73 H new ATOM 0 HB1 ALA A 31 6.711 2.942 2.474 1.00 0.84 H new ATOM 0 HB2 ALA A 31 8.073 2.176 1.623 1.00 0.84 H new ATOM 0 HB3 ALA A 31 7.377 3.693 1.005 1.00 0.84 H new ATOM 168 N ILE A 32 3.820 2.178 1.140 1.00 0.57 N ATOM 169 CA ILE A 32 2.461 2.618 0.882 1.00 0.48 C ATOM 170 C ILE A 32 1.776 3.042 2.162 1.00 0.44 C ATOM 171 O ILE A 32 1.545 2.216 3.038 1.00 0.54 O ATOM 172 CB ILE A 32 1.639 1.470 0.284 1.00 0.49 C ATOM 173 CG1 ILE A 32 2.399 0.815 -0.870 1.00 0.59 C ATOM 174 CG2 ILE A 32 0.282 1.962 -0.176 1.00 0.49 C ATOM 175 CD1 ILE A 32 1.728 -0.423 -1.405 1.00 0.67 C ATOM 0 H ILE A 32 3.898 1.455 1.855 1.00 0.57 H new ATOM 0 HA ILE A 32 2.519 3.459 0.191 1.00 0.48 H new ATOM 0 HB ILE A 32 1.480 0.721 1.060 1.00 0.49 H new ATOM 0 HG12 ILE A 32 2.509 1.537 -1.679 1.00 0.59 H new ATOM 0 HG13 ILE A 32 3.403 0.558 -0.534 1.00 0.59 H new ATOM 0 HG21 ILE A 32 -0.283 1.130 -0.597 1.00 0.49 H new ATOM 0 HG22 ILE A 32 -0.261 2.378 0.673 1.00 0.49 H new ATOM 0 HG23 ILE A 32 0.413 2.733 -0.936 1.00 0.49 H new ATOM 0 HD11 ILE A 32 2.322 -0.835 -2.221 1.00 0.67 H new ATOM 0 HD12 ILE A 32 1.642 -1.163 -0.609 1.00 0.67 H new ATOM 0 HD13 ILE A 32 0.734 -0.168 -1.772 1.00 0.67 H new ATOM 187 N TYR A 33 1.417 4.301 2.267 1.00 0.38 N ATOM 188 CA TYR A 33 0.708 4.773 3.433 1.00 0.38 C ATOM 189 C TYR A 33 -0.735 5.059 3.066 1.00 0.34 C ATOM 190 O TYR A 33 -1.017 5.724 2.067 1.00 0.41 O ATOM 191 CB TYR A 33 1.373 6.029 4.009 1.00 0.54 C ATOM 192 CG TYR A 33 0.582 6.671 5.129 1.00 0.58 C ATOM 193 CD1 TYR A 33 0.463 6.054 6.370 1.00 1.01 C ATOM 194 CD2 TYR A 33 -0.061 7.888 4.938 1.00 0.56 C ATOM 195 CE1 TYR A 33 -0.273 6.635 7.387 1.00 1.18 C ATOM 196 CE2 TYR A 33 -0.800 8.471 5.947 1.00 0.64 C ATOM 197 CZ TYR A 33 -0.903 7.842 7.169 1.00 0.90 C ATOM 198 OH TYR A 33 -1.649 8.422 8.170 1.00 1.11 O ATOM 0 H TYR A 33 1.604 5.014 1.562 1.00 0.38 H new ATOM 0 HA TYR A 33 0.739 3.999 4.200 1.00 0.38 H new ATOM 0 HB2 TYR A 33 2.365 5.769 4.378 1.00 0.54 H new ATOM 0 HB3 TYR A 33 1.512 6.757 3.209 1.00 0.54 H new ATOM 0 HD1 TYR A 33 0.953 5.107 6.542 1.00 1.01 H new ATOM 0 HD2 TYR A 33 0.019 8.386 3.983 1.00 0.56 H new ATOM 0 HE1 TYR A 33 -0.354 6.146 8.347 1.00 1.18 H new ATOM 0 HE2 TYR A 33 -1.295 9.416 5.780 1.00 0.64 H new ATOM 0 HH TYR A 33 -2.023 9.269 7.850 1.00 1.11 H new ATOM 208 N LEU A 34 -1.644 4.553 3.874 1.00 0.33 N ATOM 209 CA LEU A 34 -3.058 4.779 3.658 1.00 0.36 C ATOM 210 C LEU A 34 -3.513 5.881 4.594 1.00 0.31 C ATOM 211 O LEU A 34 -3.141 5.885 5.767 1.00 0.35 O ATOM 212 CB LEU A 34 -3.866 3.511 3.948 1.00 0.45 C ATOM 213 CG LEU A 34 -3.248 2.204 3.456 1.00 0.64 C ATOM 214 CD1 LEU A 34 -4.023 1.016 3.999 1.00 1.18 C ATOM 215 CD2 LEU A 34 -3.212 2.172 1.939 1.00 1.06 C ATOM 0 H LEU A 34 -1.427 3.980 4.690 1.00 0.33 H new ATOM 0 HA LEU A 34 -3.220 5.059 2.617 1.00 0.36 H new ATOM 0 HB2 LEU A 34 -4.017 3.437 5.025 1.00 0.45 H new ATOM 0 HB3 LEU A 34 -4.851 3.619 3.495 1.00 0.45 H new ATOM 0 HG LEU A 34 -2.224 2.144 3.824 1.00 0.64 H new ATOM 0 HD11 LEU A 34 -3.571 0.092 3.640 1.00 1.18 H new ATOM 0 HD12 LEU A 34 -3.998 1.033 5.089 1.00 1.18 H new ATOM 0 HD13 LEU A 34 -5.057 1.070 3.659 1.00 1.18 H new ATOM 0 HD21 LEU A 34 -2.769 1.234 1.605 1.00 1.06 H new ATOM 0 HD22 LEU A 34 -4.227 2.253 1.549 1.00 1.06 H new ATOM 0 HD23 LEU A 34 -2.615 3.006 1.572 1.00 1.06 H new ATOM 227 N VAL A 35 -4.292 6.822 4.093 1.00 0.31 N ATOM 228 CA VAL A 35 -4.819 7.873 4.943 1.00 0.34 C ATOM 229 C VAL A 35 -5.905 7.302 5.839 1.00 0.46 C ATOM 230 O VAL A 35 -7.054 7.164 5.431 1.00 0.72 O ATOM 231 CB VAL A 35 -5.388 9.042 4.130 1.00 0.42 C ATOM 232 CG1 VAL A 35 -5.806 10.182 5.048 1.00 0.90 C ATOM 233 CG2 VAL A 35 -4.368 9.515 3.106 1.00 1.39 C ATOM 0 H VAL A 35 -4.571 6.880 3.114 1.00 0.31 H new ATOM 0 HA VAL A 35 -3.995 8.258 5.543 1.00 0.34 H new ATOM 0 HB VAL A 35 -6.275 8.698 3.598 1.00 0.42 H new ATOM 0 HG11 VAL A 35 -6.207 11.001 4.451 1.00 0.90 H new ATOM 0 HG12 VAL A 35 -6.570 9.830 5.741 1.00 0.90 H new ATOM 0 HG13 VAL A 35 -4.940 10.532 5.610 1.00 0.90 H new ATOM 0 HG21 VAL A 35 -4.784 10.345 2.535 1.00 1.39 H new ATOM 0 HG22 VAL A 35 -3.464 9.844 3.618 1.00 1.39 H new ATOM 0 HG23 VAL A 35 -4.124 8.696 2.430 1.00 1.39 H new ATOM 243 N GLU A 36 -5.511 6.967 7.056 1.00 0.59 N ATOM 244 CA GLU A 36 -6.379 6.286 8.013 1.00 0.77 C ATOM 245 C GLU A 36 -7.692 7.043 8.285 1.00 0.71 C ATOM 246 O GLU A 36 -8.757 6.425 8.289 1.00 0.79 O ATOM 247 CB GLU A 36 -5.621 6.029 9.320 1.00 1.03 C ATOM 248 CG GLU A 36 -4.324 5.256 9.117 1.00 1.76 C ATOM 249 CD GLU A 36 -3.636 4.895 10.418 1.00 1.96 C ATOM 250 OE1 GLU A 36 -2.959 5.772 10.997 1.00 2.34 O ATOM 251 OE2 GLU A 36 -3.772 3.738 10.870 1.00 2.24 O ATOM 0 H GLU A 36 -4.575 7.159 7.414 1.00 0.59 H new ATOM 0 HA GLU A 36 -6.663 5.335 7.563 1.00 0.77 H new ATOM 0 HB2 GLU A 36 -5.397 6.983 9.797 1.00 1.03 H new ATOM 0 HB3 GLU A 36 -6.264 5.474 10.003 1.00 1.03 H new ATOM 0 HG2 GLU A 36 -4.536 4.343 8.560 1.00 1.76 H new ATOM 0 HG3 GLU A 36 -3.645 5.852 8.507 1.00 1.76 H new ATOM 258 N PRO A 37 -7.656 8.379 8.523 1.00 0.70 N ATOM 259 CA PRO A 37 -8.880 9.164 8.759 1.00 0.83 C ATOM 260 C PRO A 37 -9.805 9.229 7.538 1.00 0.90 C ATOM 261 O PRO A 37 -10.956 9.647 7.643 1.00 1.46 O ATOM 262 CB PRO A 37 -8.359 10.564 9.101 1.00 0.91 C ATOM 263 CG PRO A 37 -6.988 10.616 8.529 1.00 0.91 C ATOM 264 CD PRO A 37 -6.448 9.222 8.639 1.00 0.73 C ATOM 0 HA PRO A 37 -9.487 8.712 9.543 1.00 0.83 H new ATOM 0 HB2 PRO A 37 -8.995 11.338 8.671 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -8.343 10.727 10.179 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -7.010 10.946 7.491 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -6.363 11.322 9.075 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -5.729 9.006 7.849 1.00 0.73 H new ATOM 0 HD3 PRO A 37 -5.936 9.063 9.588 1.00 0.73 H new ATOM 272 N ARG A 38 -9.298 8.819 6.383 1.00 0.89 N ATOM 273 CA ARG A 38 -10.089 8.813 5.159 1.00 0.93 C ATOM 274 C ARG A 38 -9.882 7.512 4.399 1.00 0.92 C ATOM 275 O ARG A 38 -9.387 7.501 3.267 1.00 1.42 O ATOM 276 CB ARG A 38 -9.744 10.011 4.270 1.00 0.99 C ATOM 277 CG ARG A 38 -10.333 11.323 4.759 1.00 1.31 C ATOM 278 CD ARG A 38 -11.845 11.233 4.869 1.00 1.06 C ATOM 279 NE ARG A 38 -12.443 12.472 5.359 1.00 1.41 N ATOM 280 CZ ARG A 38 -13.077 12.574 6.528 1.00 1.91 C ATOM 281 NH1 ARG A 38 -13.089 11.550 7.375 1.00 2.37 N ATOM 282 NH2 ARG A 38 -13.671 13.708 6.869 1.00 2.60 N ATOM 0 H ARG A 38 -8.341 8.486 6.268 1.00 0.89 H new ATOM 0 HA ARG A 38 -11.140 8.893 5.438 1.00 0.93 H new ATOM 0 HB2 ARG A 38 -8.660 10.109 4.212 1.00 0.99 H new ATOM 0 HB3 ARG A 38 -10.101 9.817 3.259 1.00 0.99 H new ATOM 0 HG2 ARG A 38 -9.909 11.577 5.730 1.00 1.31 H new ATOM 0 HG3 ARG A 38 -10.062 12.126 4.073 1.00 1.31 H new ATOM 0 HD2 ARG A 38 -12.264 10.992 3.892 1.00 1.06 H new ATOM 0 HD3 ARG A 38 -12.110 10.415 5.539 1.00 1.06 H new ATOM 0 HE ARG A 38 -12.372 13.305 4.775 1.00 1.41 H new ATOM 0 HH11 ARG A 38 -12.612 10.682 7.132 1.00 2.37 H new ATOM 0 HH12 ARG A 38 -13.575 11.632 8.268 1.00 2.37 H new ATOM 0 HH21 ARG A 38 -13.645 14.508 6.236 1.00 2.60 H new ATOM 0 HH22 ARG A 38 -14.155 13.781 7.764 1.00 2.60 H new ATOM 296 N MET A 39 -10.257 6.418 5.044 1.00 0.73 N ATOM 297 CA MET A 39 -10.129 5.091 4.463 1.00 0.74 C ATOM 298 C MET A 39 -11.073 4.124 5.169 1.00 0.74 C ATOM 299 O MET A 39 -10.814 3.717 6.304 1.00 1.05 O ATOM 300 CB MET A 39 -8.685 4.591 4.584 1.00 0.80 C ATOM 301 CG MET A 39 -8.426 3.270 3.875 1.00 1.19 C ATOM 302 SD MET A 39 -8.628 3.387 2.085 1.00 1.27 S ATOM 303 CE MET A 39 -7.423 4.654 1.696 1.00 0.61 C ATOM 0 H MET A 39 -10.657 6.425 5.982 1.00 0.73 H new ATOM 0 HA MET A 39 -10.392 5.145 3.407 1.00 0.74 H new ATOM 0 HB2 MET A 39 -8.014 5.348 4.177 1.00 0.80 H new ATOM 0 HB3 MET A 39 -8.437 4.480 5.640 1.00 0.80 H new ATOM 0 HG2 MET A 39 -7.414 2.934 4.101 1.00 1.19 H new ATOM 0 HG3 MET A 39 -9.108 2.514 4.265 1.00 1.19 H new ATOM 0 HE1 MET A 39 -7.245 4.669 0.621 1.00 0.61 H new ATOM 0 HE2 MET A 39 -7.801 5.626 2.015 1.00 0.61 H new ATOM 0 HE3 MET A 39 -6.489 4.440 2.216 1.00 0.61 H new ATOM 313 N GLY A 40 -12.177 3.794 4.507 1.00 1.32 N ATOM 314 CA GLY A 40 -13.118 2.829 5.046 1.00 1.52 C ATOM 315 C GLY A 40 -12.438 1.536 5.448 1.00 1.39 C ATOM 316 O GLY A 40 -11.607 1.015 4.708 1.00 1.36 O ATOM 0 H GLY A 40 -12.438 4.181 3.600 1.00 1.32 H new ATOM 0 HA2 GLY A 40 -13.621 3.258 5.912 1.00 1.52 H new ATOM 0 HA3 GLY A 40 -13.887 2.618 4.303 1.00 1.52 H new ATOM 320 N ARG A 41 -12.820 1.001 6.599 1.00 1.34 N ATOM 321 CA ARG A 41 -12.111 -0.136 7.168 1.00 1.26 C ATOM 322 C ARG A 41 -12.480 -1.419 6.444 1.00 1.15 C ATOM 323 O ARG A 41 -11.685 -2.357 6.392 1.00 1.03 O ATOM 324 CB ARG A 41 -12.385 -0.280 8.665 1.00 1.42 C ATOM 325 CG ARG A 41 -13.794 -0.729 8.994 1.00 1.79 C ATOM 326 CD ARG A 41 -13.908 -1.123 10.451 1.00 1.72 C ATOM 327 NE ARG A 41 -15.264 -1.525 10.806 1.00 2.20 N ATOM 328 CZ ARG A 41 -15.877 -1.133 11.919 1.00 2.49 C ATOM 329 NH1 ARG A 41 -15.235 -0.367 12.793 1.00 2.51 N ATOM 330 NH2 ARG A 41 -17.118 -1.524 12.175 1.00 3.20 N ATOM 0 H ARG A 41 -13.610 1.332 7.153 1.00 1.34 H new ATOM 0 HA ARG A 41 -11.045 0.049 7.037 1.00 1.26 H new ATOM 0 HB2 ARG A 41 -11.679 -0.996 9.086 1.00 1.42 H new ATOM 0 HB3 ARG A 41 -12.197 0.677 9.152 1.00 1.42 H new ATOM 0 HG2 ARG A 41 -14.497 0.075 8.774 1.00 1.79 H new ATOM 0 HG3 ARG A 41 -14.068 -1.574 8.362 1.00 1.79 H new ATOM 0 HD2 ARG A 41 -13.221 -1.943 10.659 1.00 1.72 H new ATOM 0 HD3 ARG A 41 -13.603 -0.285 11.078 1.00 1.72 H new ATOM 0 HE ARG A 41 -15.769 -2.139 10.167 1.00 2.20 H new ATOM 0 HH11 ARG A 41 -14.273 -0.080 12.610 1.00 2.51 H new ATOM 0 HH12 ARG A 41 -15.703 -0.065 13.647 1.00 2.51 H new ATOM 0 HH21 ARG A 41 -17.608 -2.129 11.516 1.00 3.20 H new ATOM 0 HH22 ARG A 41 -17.582 -1.220 13.031 1.00 3.20 H new ATOM 344 N SER A 42 -13.675 -1.454 5.868 1.00 1.23 N ATOM 345 CA SER A 42 -14.118 -2.618 5.119 1.00 1.19 C ATOM 346 C SER A 42 -13.208 -2.836 3.911 1.00 1.02 C ATOM 347 O SER A 42 -12.804 -3.960 3.615 1.00 0.94 O ATOM 348 CB SER A 42 -15.571 -2.435 4.681 1.00 1.38 C ATOM 349 OG SER A 42 -16.397 -2.109 5.792 1.00 2.00 O ATOM 0 H SER A 42 -14.351 -0.691 5.906 1.00 1.23 H new ATOM 0 HA SER A 42 -14.061 -3.501 5.756 1.00 1.19 H new ATOM 0 HB2 SER A 42 -15.633 -1.645 3.932 1.00 1.38 H new ATOM 0 HB3 SER A 42 -15.931 -3.350 4.210 1.00 1.38 H new ATOM 0 HG SER A 42 -17.322 -1.995 5.489 1.00 2.00 H new ATOM 355 N ARG A 43 -12.851 -1.742 3.248 1.00 1.01 N ATOM 356 CA ARG A 43 -11.959 -1.808 2.099 1.00 0.91 C ATOM 357 C ARG A 43 -10.511 -1.780 2.574 1.00 0.74 C ATOM 358 O ARG A 43 -9.635 -2.362 1.941 1.00 0.60 O ATOM 359 CB ARG A 43 -12.239 -0.647 1.141 1.00 1.08 C ATOM 360 CG ARG A 43 -11.900 -0.935 -0.322 1.00 1.13 C ATOM 361 CD ARG A 43 -10.478 -0.519 -0.715 1.00 1.08 C ATOM 362 NE ARG A 43 -10.178 0.889 -0.407 1.00 0.95 N ATOM 363 CZ ARG A 43 -11.028 1.906 -0.584 1.00 1.74 C ATOM 364 NH1 ARG A 43 -12.097 1.783 -1.368 1.00 2.48 N ATOM 365 NH2 ARG A 43 -10.759 3.076 -0.039 1.00 2.23 N ATOM 0 H ARG A 43 -13.165 -0.801 3.486 1.00 1.01 H new ATOM 0 HA ARG A 43 -12.134 -2.739 1.561 1.00 0.91 H new ATOM 0 HB2 ARG A 43 -13.294 -0.382 1.211 1.00 1.08 H new ATOM 0 HB3 ARG A 43 -11.669 0.223 1.468 1.00 1.08 H new ATOM 0 HG2 ARG A 43 -12.023 -2.001 -0.512 1.00 1.13 H new ATOM 0 HG3 ARG A 43 -12.612 -0.413 -0.961 1.00 1.13 H new ATOM 0 HD2 ARG A 43 -9.763 -1.158 -0.196 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -10.339 -0.688 -1.783 1.00 1.08 H new ATOM 0 HE ARG A 43 -9.255 1.104 -0.031 1.00 0.95 H new ATOM 0 HH11 ARG A 43 -12.280 0.901 -1.847 1.00 2.48 H new ATOM 0 HH12 ARG A 43 -12.733 2.571 -1.490 1.00 2.48 H new ATOM 0 HH21 ARG A 43 -9.909 3.199 0.512 1.00 2.23 H new ATOM 0 HH22 ARG A 43 -11.401 3.858 -0.168 1.00 2.23 H new ATOM 379 N ARG A 44 -10.270 -1.103 3.698 1.00 0.81 N ATOM 380 CA ARG A 44 -8.942 -1.056 4.299 1.00 0.77 C ATOM 381 C ARG A 44 -8.465 -2.461 4.607 1.00 0.68 C ATOM 382 O ARG A 44 -7.436 -2.882 4.107 1.00 0.62 O ATOM 383 CB ARG A 44 -8.943 -0.198 5.575 1.00 0.95 C ATOM 384 CG ARG A 44 -7.578 -0.029 6.231 1.00 0.98 C ATOM 385 CD ARG A 44 -7.353 -1.048 7.340 1.00 1.46 C ATOM 386 NE ARG A 44 -6.058 -0.870 7.995 1.00 1.62 N ATOM 387 CZ ARG A 44 -5.875 -0.897 9.317 1.00 2.09 C ATOM 388 NH1 ARG A 44 -6.897 -1.107 10.140 1.00 2.72 N ATOM 389 NH2 ARG A 44 -4.658 -0.717 9.811 1.00 2.57 N ATOM 0 H ARG A 44 -10.981 -0.580 4.209 1.00 0.81 H new ATOM 0 HA ARG A 44 -8.258 -0.595 3.586 1.00 0.77 H new ATOM 0 HB2 ARG A 44 -9.339 0.788 5.333 1.00 0.95 H new ATOM 0 HB3 ARG A 44 -9.625 -0.647 6.297 1.00 0.95 H new ATOM 0 HG2 ARG A 44 -6.797 -0.134 5.478 1.00 0.98 H new ATOM 0 HG3 ARG A 44 -7.494 0.978 6.640 1.00 0.98 H new ATOM 0 HD2 ARG A 44 -8.148 -0.960 8.080 1.00 1.46 H new ATOM 0 HD3 ARG A 44 -7.414 -2.054 6.925 1.00 1.46 H new ATOM 0 HE ARG A 44 -5.242 -0.715 7.404 1.00 1.62 H new ATOM 0 HH11 ARG A 44 -7.834 -1.250 9.763 1.00 2.72 H new ATOM 0 HH12 ARG A 44 -6.744 -1.125 11.148 1.00 2.72 H new ATOM 0 HH21 ARG A 44 -3.871 -0.559 9.182 1.00 2.57 H new ATOM 0 HH22 ARG A 44 -4.509 -0.736 10.820 1.00 2.57 H new ATOM 403 N ALA A 45 -9.226 -3.184 5.419 1.00 0.82 N ATOM 404 CA ALA A 45 -8.868 -4.546 5.791 1.00 0.77 C ATOM 405 C ALA A 45 -8.685 -5.419 4.554 1.00 0.61 C ATOM 406 O ALA A 45 -7.712 -6.169 4.445 1.00 0.58 O ATOM 407 CB ALA A 45 -9.936 -5.131 6.697 1.00 0.91 C ATOM 0 H ALA A 45 -10.096 -2.849 5.833 1.00 0.82 H new ATOM 0 HA ALA A 45 -7.920 -4.520 6.328 1.00 0.77 H new ATOM 0 HB1 ALA A 45 -9.662 -6.150 6.972 1.00 0.91 H new ATOM 0 HB2 ALA A 45 -10.022 -4.523 7.598 1.00 0.91 H new ATOM 0 HB3 ALA A 45 -10.892 -5.141 6.173 1.00 0.91 H new ATOM 413 N PHE A 46 -9.635 -5.301 3.631 1.00 0.63 N ATOM 414 CA PHE A 46 -9.604 -6.040 2.384 1.00 0.57 C ATOM 415 C PHE A 46 -8.305 -5.768 1.614 1.00 0.44 C ATOM 416 O PHE A 46 -7.619 -6.703 1.212 1.00 0.44 O ATOM 417 CB PHE A 46 -10.874 -5.703 1.576 1.00 0.69 C ATOM 418 CG PHE A 46 -10.673 -5.470 0.109 1.00 0.64 C ATOM 419 CD1 PHE A 46 -10.374 -4.205 -0.353 1.00 0.57 C ATOM 420 CD2 PHE A 46 -10.794 -6.501 -0.805 1.00 0.74 C ATOM 421 CE1 PHE A 46 -10.193 -3.964 -1.690 1.00 0.61 C ATOM 422 CE2 PHE A 46 -10.619 -6.267 -2.154 1.00 0.78 C ATOM 423 CZ PHE A 46 -10.314 -4.996 -2.598 1.00 0.71 C ATOM 0 H PHE A 46 -10.445 -4.690 3.731 1.00 0.63 H new ATOM 0 HA PHE A 46 -9.606 -7.112 2.580 1.00 0.57 H new ATOM 0 HB2 PHE A 46 -11.587 -6.518 1.701 1.00 0.69 H new ATOM 0 HB3 PHE A 46 -11.330 -4.811 2.007 1.00 0.69 H new ATOM 0 HD1 PHE A 46 -10.281 -3.391 0.351 1.00 0.57 H new ATOM 0 HD2 PHE A 46 -11.027 -7.498 -0.460 1.00 0.74 H new ATOM 0 HE1 PHE A 46 -9.956 -2.968 -2.032 1.00 0.61 H new ATOM 0 HE2 PHE A 46 -10.721 -7.077 -2.861 1.00 0.78 H new ATOM 0 HZ PHE A 46 -10.171 -4.810 -3.652 1.00 0.71 H new ATOM 433 N LEU A 47 -7.945 -4.499 1.445 1.00 0.39 N ATOM 434 CA LEU A 47 -6.718 -4.147 0.736 1.00 0.35 C ATOM 435 C LEU A 47 -5.490 -4.461 1.575 1.00 0.38 C ATOM 436 O LEU A 47 -4.471 -4.852 1.036 1.00 0.47 O ATOM 437 CB LEU A 47 -6.729 -2.665 0.333 1.00 0.36 C ATOM 438 CG LEU A 47 -6.418 -1.675 1.455 1.00 0.38 C ATOM 439 CD1 LEU A 47 -4.931 -1.355 1.505 1.00 0.44 C ATOM 440 CD2 LEU A 47 -7.231 -0.403 1.289 1.00 0.42 C ATOM 0 H LEU A 47 -8.481 -3.702 1.787 1.00 0.39 H new ATOM 0 HA LEU A 47 -6.672 -4.752 -0.170 1.00 0.35 H new ATOM 0 HB2 LEU A 47 -6.004 -2.519 -0.468 1.00 0.36 H new ATOM 0 HB3 LEU A 47 -7.710 -2.426 -0.077 1.00 0.36 H new ATOM 0 HG LEU A 47 -6.696 -2.141 2.400 1.00 0.38 H new ATOM 0 HD11 LEU A 47 -4.738 -0.648 2.312 1.00 0.44 H new ATOM 0 HD12 LEU A 47 -4.367 -2.271 1.682 1.00 0.44 H new ATOM 0 HD13 LEU A 47 -4.621 -0.916 0.557 1.00 0.44 H new ATOM 0 HD21 LEU A 47 -6.995 0.288 2.098 1.00 0.42 H new ATOM 0 HD22 LEU A 47 -6.989 0.061 0.333 1.00 0.42 H new ATOM 0 HD23 LEU A 47 -8.294 -0.644 1.317 1.00 0.42 H new ATOM 452 N THR A 48 -5.587 -4.308 2.890 1.00 0.40 N ATOM 453 CA THR A 48 -4.439 -4.518 3.758 1.00 0.48 C ATOM 454 C THR A 48 -3.997 -5.975 3.699 1.00 0.48 C ATOM 455 O THR A 48 -2.841 -6.267 3.399 1.00 0.57 O ATOM 456 CB THR A 48 -4.760 -4.111 5.215 1.00 0.59 C ATOM 457 OG1 THR A 48 -5.126 -2.728 5.261 1.00 0.64 O ATOM 458 CG2 THR A 48 -3.574 -4.339 6.137 1.00 0.69 C ATOM 0 H THR A 48 -6.444 -4.041 3.375 1.00 0.40 H new ATOM 0 HA THR A 48 -3.624 -3.886 3.405 1.00 0.48 H new ATOM 0 HB THR A 48 -5.586 -4.735 5.557 1.00 0.59 H new ATOM 0 HG1 THR A 48 -5.843 -2.558 4.615 1.00 0.64 H new ATOM 0 HG21 THR A 48 -3.839 -4.041 7.151 1.00 0.69 H new ATOM 0 HG22 THR A 48 -3.304 -5.395 6.128 1.00 0.69 H new ATOM 0 HG23 THR A 48 -2.727 -3.745 5.794 1.00 0.69 H new ATOM 466 N GLY A 49 -4.932 -6.886 3.957 1.00 0.45 N ATOM 467 CA GLY A 49 -4.629 -8.299 3.860 1.00 0.50 C ATOM 468 C GLY A 49 -4.234 -8.704 2.456 1.00 0.42 C ATOM 469 O GLY A 49 -3.267 -9.446 2.264 1.00 0.42 O ATOM 0 H GLY A 49 -5.890 -6.669 4.230 1.00 0.45 H new ATOM 0 HA2 GLY A 49 -3.820 -8.543 4.548 1.00 0.50 H new ATOM 0 HA3 GLY A 49 -5.498 -8.878 4.172 1.00 0.50 H new ATOM 473 N LEU A 50 -4.973 -8.203 1.469 1.00 0.43 N ATOM 474 CA LEU A 50 -4.681 -8.523 0.076 1.00 0.42 C ATOM 475 C LEU A 50 -3.307 -8.016 -0.326 1.00 0.41 C ATOM 476 O LEU A 50 -2.481 -8.788 -0.788 1.00 0.46 O ATOM 477 CB LEU A 50 -5.735 -7.968 -0.883 1.00 0.44 C ATOM 478 CG LEU A 50 -7.026 -8.780 -0.971 1.00 0.46 C ATOM 479 CD1 LEU A 50 -7.898 -8.253 -2.098 1.00 0.58 C ATOM 480 CD2 LEU A 50 -6.720 -10.256 -1.181 1.00 0.48 C ATOM 0 H LEU A 50 -5.770 -7.581 1.606 1.00 0.43 H new ATOM 0 HA LEU A 50 -4.699 -9.610 0.001 1.00 0.42 H new ATOM 0 HB2 LEU A 50 -5.984 -6.952 -0.576 1.00 0.44 H new ATOM 0 HB3 LEU A 50 -5.298 -7.902 -1.879 1.00 0.44 H new ATOM 0 HG LEU A 50 -7.566 -8.675 -0.030 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -8.816 -8.839 -2.152 1.00 0.58 H new ATOM 0 HD12 LEU A 50 -8.145 -7.208 -1.909 1.00 0.58 H new ATOM 0 HD13 LEU A 50 -7.360 -8.333 -3.042 1.00 0.58 H new ATOM 0 HD21 LEU A 50 -7.653 -10.816 -1.241 1.00 0.48 H new ATOM 0 HD22 LEU A 50 -6.160 -10.383 -2.108 1.00 0.48 H new ATOM 0 HD23 LEU A 50 -6.127 -10.627 -0.345 1.00 0.48 H new ATOM 492 N ALA A 51 -3.071 -6.727 -0.144 1.00 0.38 N ATOM 493 CA ALA A 51 -1.803 -6.111 -0.522 1.00 0.39 C ATOM 494 C ALA A 51 -0.613 -6.787 0.162 1.00 0.43 C ATOM 495 O ALA A 51 0.447 -6.960 -0.446 1.00 0.47 O ATOM 496 CB ALA A 51 -1.827 -4.627 -0.211 1.00 0.38 C ATOM 0 H ALA A 51 -3.745 -6.080 0.266 1.00 0.38 H new ATOM 0 HA ALA A 51 -1.677 -6.246 -1.596 1.00 0.39 H new ATOM 0 HB1 ALA A 51 -0.875 -4.180 -0.498 1.00 0.38 H new ATOM 0 HB2 ALA A 51 -2.634 -4.151 -0.768 1.00 0.38 H new ATOM 0 HB3 ALA A 51 -1.989 -4.482 0.857 1.00 0.38 H new ATOM 502 N ARG A 52 -0.797 -7.177 1.424 1.00 0.45 N ATOM 503 CA ARG A 52 0.238 -7.893 2.167 1.00 0.51 C ATOM 504 C ARG A 52 0.458 -9.287 1.585 1.00 0.60 C ATOM 505 O ARG A 52 1.578 -9.787 1.553 1.00 0.75 O ATOM 506 CB ARG A 52 -0.127 -8.008 3.651 1.00 0.54 C ATOM 507 CG ARG A 52 0.038 -6.717 4.439 1.00 1.12 C ATOM 508 CD ARG A 52 -0.389 -6.904 5.886 1.00 1.04 C ATOM 509 NE ARG A 52 -0.126 -5.720 6.706 1.00 1.51 N ATOM 510 CZ ARG A 52 -0.587 -5.561 7.946 1.00 1.87 C ATOM 511 NH1 ARG A 52 -1.370 -6.488 8.483 1.00 1.75 N ATOM 512 NH2 ARG A 52 -0.272 -4.474 8.646 1.00 2.79 N ATOM 0 H ARG A 52 -1.653 -7.009 1.952 1.00 0.45 H new ATOM 0 HA ARG A 52 1.161 -7.320 2.077 1.00 0.51 H new ATOM 0 HB2 ARG A 52 -1.162 -8.341 3.734 1.00 0.54 H new ATOM 0 HB3 ARG A 52 0.493 -8.780 4.107 1.00 0.54 H new ATOM 0 HG2 ARG A 52 1.079 -6.394 4.402 1.00 1.12 H new ATOM 0 HG3 ARG A 52 -0.557 -5.928 3.980 1.00 1.12 H new ATOM 0 HD2 ARG A 52 -1.453 -7.136 5.920 1.00 1.04 H new ATOM 0 HD3 ARG A 52 0.138 -7.759 6.309 1.00 1.04 H new ATOM 0 HE ARG A 52 0.443 -4.974 6.305 1.00 1.51 H new ATOM 0 HH11 ARG A 52 -1.617 -7.320 7.947 1.00 1.75 H new ATOM 0 HH12 ARG A 52 -1.724 -6.369 9.432 1.00 1.75 H new ATOM 0 HH21 ARG A 52 0.325 -3.757 8.234 1.00 2.79 H new ATOM 0 HH22 ARG A 52 -0.628 -4.358 9.595 1.00 2.79 H new ATOM 526 N SER A 53 -0.620 -9.922 1.150 1.00 0.54 N ATOM 527 CA SER A 53 -0.528 -11.220 0.498 1.00 0.61 C ATOM 528 C SER A 53 -0.017 -11.079 -0.940 1.00 0.61 C ATOM 529 O SER A 53 0.551 -12.016 -1.502 1.00 0.69 O ATOM 530 CB SER A 53 -1.896 -11.905 0.511 1.00 0.63 C ATOM 531 OG SER A 53 -2.394 -12.025 1.837 1.00 1.36 O ATOM 0 H SER A 53 -1.569 -9.559 1.237 1.00 0.54 H new ATOM 0 HA SER A 53 0.185 -11.833 1.049 1.00 0.61 H new ATOM 0 HB2 SER A 53 -2.599 -11.333 -0.095 1.00 0.63 H new ATOM 0 HB3 SER A 53 -1.816 -12.893 0.058 1.00 0.63 H new ATOM 0 HG SER A 53 -2.761 -11.164 2.128 1.00 1.36 H new ATOM 537 N LYS A 54 -0.226 -9.905 -1.525 1.00 0.57 N ATOM 538 CA LYS A 54 0.197 -9.635 -2.893 1.00 0.60 C ATOM 539 C LYS A 54 1.701 -9.440 -2.981 1.00 0.63 C ATOM 540 O LYS A 54 2.408 -10.258 -3.567 1.00 0.76 O ATOM 541 CB LYS A 54 -0.507 -8.393 -3.451 1.00 0.56 C ATOM 542 CG LYS A 54 -1.979 -8.595 -3.760 1.00 0.54 C ATOM 543 CD LYS A 54 -2.172 -9.556 -4.916 1.00 0.60 C ATOM 544 CE LYS A 54 -3.642 -9.717 -5.264 1.00 0.64 C ATOM 545 NZ LYS A 54 -3.846 -10.665 -6.394 1.00 0.83 N ATOM 0 H LYS A 54 -0.690 -9.120 -1.068 1.00 0.57 H new ATOM 0 HA LYS A 54 -0.080 -10.504 -3.489 1.00 0.60 H new ATOM 0 HB2 LYS A 54 -0.407 -7.580 -2.732 1.00 0.56 H new ATOM 0 HB3 LYS A 54 0.003 -8.079 -4.361 1.00 0.56 H new ATOM 0 HG2 LYS A 54 -2.489 -8.979 -2.876 1.00 0.54 H new ATOM 0 HG3 LYS A 54 -2.437 -7.636 -4.001 1.00 0.54 H new ATOM 0 HD2 LYS A 54 -1.628 -9.193 -5.788 1.00 0.60 H new ATOM 0 HD3 LYS A 54 -1.749 -10.527 -4.658 1.00 0.60 H new ATOM 0 HE2 LYS A 54 -4.185 -10.074 -4.389 1.00 0.64 H new ATOM 0 HE3 LYS A 54 -4.061 -8.745 -5.525 1.00 0.64 H new ATOM 0 HZ1 LYS A 54 -4.862 -10.746 -6.600 1.00 0.83 H new ATOM 0 HZ2 LYS A 54 -3.349 -10.312 -7.237 1.00 0.83 H new ATOM 0 HZ3 LYS A 54 -3.469 -11.599 -6.136 1.00 0.83 H new ATOM 559 N GLY A 55 2.190 -8.362 -2.385 1.00 0.56 N ATOM 560 CA GLY A 55 3.588 -8.034 -2.526 1.00 0.61 C ATOM 561 C GLY A 55 3.872 -6.564 -2.315 1.00 0.54 C ATOM 562 O GLY A 55 4.610 -5.968 -3.095 1.00 0.57 O ATOM 0 H GLY A 55 1.647 -7.716 -1.812 1.00 0.56 H new ATOM 0 HA2 GLY A 55 4.167 -8.617 -1.810 1.00 0.61 H new ATOM 0 HA3 GLY A 55 3.926 -8.325 -3.521 1.00 0.61 H new ATOM 566 N PHE A 56 3.301 -5.958 -1.279 1.00 0.50 N ATOM 567 CA PHE A 56 3.468 -4.528 -1.075 1.00 0.47 C ATOM 568 C PHE A 56 3.898 -4.206 0.351 1.00 0.42 C ATOM 569 O PHE A 56 3.415 -4.805 1.313 1.00 0.65 O ATOM 570 CB PHE A 56 2.165 -3.797 -1.389 1.00 0.66 C ATOM 571 CG PHE A 56 1.731 -3.922 -2.817 1.00 0.56 C ATOM 572 CD1 PHE A 56 2.412 -3.252 -3.819 1.00 0.61 C ATOM 573 CD2 PHE A 56 0.640 -4.700 -3.160 1.00 0.53 C ATOM 574 CE1 PHE A 56 2.013 -3.361 -5.135 1.00 0.58 C ATOM 575 CE2 PHE A 56 0.238 -4.812 -4.475 1.00 0.48 C ATOM 576 CZ PHE A 56 0.923 -4.140 -5.464 1.00 0.47 C ATOM 0 H PHE A 56 2.727 -6.428 -0.579 1.00 0.50 H new ATOM 0 HA PHE A 56 4.254 -4.192 -1.751 1.00 0.47 H new ATOM 0 HB2 PHE A 56 1.377 -4.185 -0.744 1.00 0.66 H new ATOM 0 HB3 PHE A 56 2.284 -2.741 -1.146 1.00 0.66 H new ATOM 0 HD1 PHE A 56 3.264 -2.638 -3.568 1.00 0.61 H new ATOM 0 HD2 PHE A 56 0.096 -5.226 -2.389 1.00 0.53 H new ATOM 0 HE1 PHE A 56 2.554 -2.836 -5.908 1.00 0.58 H new ATOM 0 HE2 PHE A 56 -0.613 -5.426 -4.729 1.00 0.48 H new ATOM 0 HZ PHE A 56 0.607 -4.223 -6.494 1.00 0.47 H new ATOM 586 N ARG A 57 4.826 -3.268 0.472 1.00 0.46 N ATOM 587 CA ARG A 57 5.259 -2.773 1.771 1.00 0.68 C ATOM 588 C ARG A 57 4.324 -1.688 2.262 1.00 0.79 C ATOM 589 O ARG A 57 4.502 -0.504 1.970 1.00 1.17 O ATOM 590 CB ARG A 57 6.655 -2.199 1.687 1.00 0.93 C ATOM 591 CG ARG A 57 7.319 -1.961 3.031 1.00 0.72 C ATOM 592 CD ARG A 57 8.583 -1.137 2.862 1.00 1.01 C ATOM 593 NE ARG A 57 9.399 -1.103 4.074 1.00 1.72 N ATOM 594 CZ ARG A 57 9.545 -0.031 4.849 1.00 2.00 C ATOM 595 NH1 ARG A 57 8.832 1.064 4.623 1.00 1.80 N ATOM 596 NH2 ARG A 57 10.393 -0.061 5.865 1.00 3.00 N ATOM 0 H ARG A 57 5.297 -2.831 -0.320 1.00 0.46 H new ATOM 0 HA ARG A 57 5.250 -3.614 2.464 1.00 0.68 H new ATOM 0 HB2 ARG A 57 7.278 -2.876 1.103 1.00 0.93 H new ATOM 0 HB3 ARG A 57 6.614 -1.255 1.144 1.00 0.93 H new ATOM 0 HG2 ARG A 57 6.628 -1.445 3.698 1.00 0.72 H new ATOM 0 HG3 ARG A 57 7.560 -2.916 3.498 1.00 0.72 H new ATOM 0 HD2 ARG A 57 9.173 -1.548 2.043 1.00 1.01 H new ATOM 0 HD3 ARG A 57 8.314 -0.119 2.581 1.00 1.01 H new ATOM 0 HE ARG A 57 9.888 -1.956 4.343 1.00 1.72 H new ATOM 0 HH11 ARG A 57 8.166 1.089 3.851 1.00 1.80 H new ATOM 0 HH12 ARG A 57 8.950 1.882 5.221 1.00 1.80 H new ATOM 0 HH21 ARG A 57 10.934 -0.905 6.053 1.00 3.00 H new ATOM 0 HH22 ARG A 57 10.506 0.760 6.460 1.00 3.00 H new ATOM 610 N VAL A 58 3.331 -2.096 3.002 1.00 0.67 N ATOM 611 CA VAL A 58 2.411 -1.173 3.604 1.00 0.69 C ATOM 612 C VAL A 58 3.054 -0.429 4.777 1.00 0.68 C ATOM 613 O VAL A 58 3.492 -1.026 5.762 1.00 0.73 O ATOM 614 CB VAL A 58 1.179 -1.935 4.085 1.00 0.76 C ATOM 615 CG1 VAL A 58 0.228 -1.027 4.855 1.00 0.81 C ATOM 616 CG2 VAL A 58 0.461 -2.593 2.917 1.00 0.88 C ATOM 0 H VAL A 58 3.137 -3.077 3.204 1.00 0.67 H new ATOM 0 HA VAL A 58 2.125 -0.433 2.857 1.00 0.69 H new ATOM 0 HB VAL A 58 1.520 -2.715 4.766 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -0.638 -1.602 5.183 1.00 0.81 H new ATOM 0 HG12 VAL A 58 0.741 -0.616 5.725 1.00 0.81 H new ATOM 0 HG13 VAL A 58 -0.100 -0.213 4.209 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -0.414 -3.130 3.284 1.00 0.88 H new ATOM 0 HG22 VAL A 58 0.146 -1.829 2.206 1.00 0.88 H new ATOM 0 HG23 VAL A 58 1.135 -3.292 2.423 1.00 0.88 H new ATOM 626 N LEU A 59 3.107 0.883 4.635 1.00 0.70 N ATOM 627 CA LEU A 59 3.728 1.770 5.606 1.00 0.77 C ATOM 628 C LEU A 59 2.859 1.844 6.859 1.00 0.91 C ATOM 629 O LEU A 59 1.641 2.017 6.771 1.00 1.02 O ATOM 630 CB LEU A 59 3.896 3.152 4.956 1.00 0.74 C ATOM 631 CG LEU A 59 4.896 4.115 5.609 1.00 0.87 C ATOM 632 CD1 LEU A 59 4.344 4.691 6.898 1.00 1.13 C ATOM 633 CD2 LEU A 59 6.231 3.424 5.851 1.00 0.99 C ATOM 0 H LEU A 59 2.714 1.371 3.830 1.00 0.70 H new ATOM 0 HA LEU A 59 4.708 1.397 5.904 1.00 0.77 H new ATOM 0 HB2 LEU A 59 4.197 3.004 3.919 1.00 0.74 H new ATOM 0 HB3 LEU A 59 2.921 3.638 4.938 1.00 0.74 H new ATOM 0 HG LEU A 59 5.060 4.943 4.920 1.00 0.87 H new ATOM 0 HD11 LEU A 59 5.076 5.369 7.336 1.00 1.13 H new ATOM 0 HD12 LEU A 59 3.424 5.236 6.688 1.00 1.13 H new ATOM 0 HD13 LEU A 59 4.135 3.882 7.598 1.00 1.13 H new ATOM 0 HD21 LEU A 59 6.925 4.125 6.315 1.00 0.99 H new ATOM 0 HD22 LEU A 59 6.084 2.569 6.511 1.00 0.99 H new ATOM 0 HD23 LEU A 59 6.641 3.082 4.901 1.00 0.99 H new ATOM 645 N ASP A 60 3.488 1.675 8.019 1.00 1.06 N ATOM 646 CA ASP A 60 2.781 1.679 9.296 1.00 1.31 C ATOM 647 C ASP A 60 2.459 3.114 9.759 1.00 1.32 C ATOM 648 O ASP A 60 2.158 3.979 8.942 1.00 2.09 O ATOM 649 CB ASP A 60 3.629 0.929 10.336 1.00 1.89 C ATOM 650 CG ASP A 60 2.865 0.581 11.599 1.00 2.15 C ATOM 651 OD1 ASP A 60 1.996 -0.311 11.538 1.00 2.30 O ATOM 652 OD2 ASP A 60 3.123 1.197 12.652 1.00 2.89 O ATOM 0 H ASP A 60 4.495 1.532 8.100 1.00 1.06 H new ATOM 0 HA ASP A 60 1.824 1.170 9.178 1.00 1.31 H new ATOM 0 HB2 ASP A 60 4.013 0.012 9.888 1.00 1.89 H new ATOM 0 HB3 ASP A 60 4.492 1.540 10.599 1.00 1.89 H new ATOM 657 N ALA A 61 2.528 3.371 11.057 1.00 1.32 N ATOM 658 CA ALA A 61 2.043 4.625 11.608 1.00 1.55 C ATOM 659 C ALA A 61 3.071 5.753 11.534 1.00 1.25 C ATOM 660 O ALA A 61 4.131 5.693 12.160 1.00 1.76 O ATOM 661 CB ALA A 61 1.593 4.421 13.046 1.00 2.66 C ATOM 0 H ALA A 61 2.915 2.727 11.747 1.00 1.32 H new ATOM 0 HA ALA A 61 1.198 4.933 10.992 1.00 1.55 H new ATOM 0 HB1 ALA A 61 1.231 5.366 13.451 1.00 2.66 H new ATOM 0 HB2 ALA A 61 0.792 3.683 13.075 1.00 2.66 H new ATOM 0 HB3 ALA A 61 2.433 4.068 13.644 1.00 2.66 H new ATOM 667 N CYS A 62 2.732 6.764 10.735 1.00 1.19 N ATOM 668 CA CYS A 62 3.391 8.072 10.759 1.00 1.18 C ATOM 669 C CYS A 62 4.898 8.018 10.491 1.00 1.18 C ATOM 670 O CYS A 62 5.705 8.210 11.403 1.00 1.66 O ATOM 671 CB CYS A 62 3.130 8.750 12.104 1.00 1.44 C ATOM 672 SG CYS A 62 1.385 8.799 12.570 1.00 2.09 S ATOM 0 H CYS A 62 1.984 6.699 10.045 1.00 1.19 H new ATOM 0 HA CYS A 62 2.959 8.648 9.941 1.00 1.18 H new ATOM 0 HB2 CYS A 62 3.689 8.225 12.879 1.00 1.44 H new ATOM 0 HB3 CYS A 62 3.515 9.769 12.067 1.00 1.44 H new ATOM 0 HG CYS A 62 1.260 9.388 13.722 1.00 2.09 H new ATOM 678 N SER A 63 5.276 7.784 9.246 1.00 1.03 N ATOM 679 CA SER A 63 6.665 7.928 8.843 1.00 1.07 C ATOM 680 C SER A 63 6.751 8.395 7.392 1.00 1.01 C ATOM 681 O SER A 63 5.957 7.985 6.542 1.00 1.03 O ATOM 682 CB SER A 63 7.441 6.622 9.060 1.00 1.23 C ATOM 683 OG SER A 63 6.774 5.515 8.491 1.00 1.76 O ATOM 0 H SER A 63 4.644 7.495 8.499 1.00 1.03 H new ATOM 0 HA SER A 63 7.130 8.688 9.471 1.00 1.07 H new ATOM 0 HB2 SER A 63 8.435 6.712 8.621 1.00 1.23 H new ATOM 0 HB3 SER A 63 7.578 6.454 10.128 1.00 1.23 H new ATOM 0 HG SER A 63 7.298 4.702 8.647 1.00 1.76 H new ATOM 689 N SER A 64 7.707 9.273 7.123 1.00 1.04 N ATOM 690 CA SER A 64 7.874 9.868 5.803 1.00 1.05 C ATOM 691 C SER A 64 8.589 8.923 4.837 1.00 0.99 C ATOM 692 O SER A 64 8.926 9.300 3.715 1.00 1.01 O ATOM 693 CB SER A 64 8.639 11.182 5.943 1.00 1.23 C ATOM 694 OG SER A 64 9.605 11.091 6.980 1.00 1.95 O ATOM 0 H SER A 64 8.388 9.593 7.812 1.00 1.04 H new ATOM 0 HA SER A 64 6.887 10.059 5.381 1.00 1.05 H new ATOM 0 HB2 SER A 64 9.131 11.425 5.001 1.00 1.23 H new ATOM 0 HB3 SER A 64 7.943 11.993 6.157 1.00 1.23 H new ATOM 0 HG SER A 64 9.206 11.386 7.825 1.00 1.95 H new ATOM 700 N GLU A 65 8.811 7.694 5.285 1.00 0.97 N ATOM 701 CA GLU A 65 9.507 6.686 4.496 1.00 0.96 C ATOM 702 C GLU A 65 8.651 6.211 3.313 1.00 0.83 C ATOM 703 O GLU A 65 9.172 5.670 2.335 1.00 0.86 O ATOM 704 CB GLU A 65 9.870 5.507 5.403 1.00 1.04 C ATOM 705 CG GLU A 65 10.638 4.391 4.714 1.00 1.17 C ATOM 706 CD GLU A 65 10.952 3.250 5.656 1.00 1.41 C ATOM 707 OE1 GLU A 65 10.026 2.781 6.355 1.00 1.51 O ATOM 708 OE2 GLU A 65 12.113 2.800 5.692 1.00 1.70 O ATOM 0 H GLU A 65 8.514 7.368 6.205 1.00 0.97 H new ATOM 0 HA GLU A 65 10.414 7.127 4.083 1.00 0.96 H new ATOM 0 HB2 GLU A 65 10.465 5.878 6.238 1.00 1.04 H new ATOM 0 HB3 GLU A 65 8.953 5.093 5.823 1.00 1.04 H new ATOM 0 HG2 GLU A 65 10.055 4.016 3.873 1.00 1.17 H new ATOM 0 HG3 GLU A 65 11.567 4.789 4.306 1.00 1.17 H new ATOM 715 N ALA A 66 7.343 6.429 3.400 1.00 0.78 N ATOM 716 CA ALA A 66 6.418 5.976 2.365 1.00 0.71 C ATOM 717 C ALA A 66 6.575 6.793 1.090 1.00 0.66 C ATOM 718 O ALA A 66 6.902 7.976 1.152 1.00 0.90 O ATOM 719 CB ALA A 66 4.984 6.070 2.865 1.00 0.80 C ATOM 0 H ALA A 66 6.898 6.917 4.177 1.00 0.78 H new ATOM 0 HA ALA A 66 6.653 4.937 2.136 1.00 0.71 H new ATOM 0 HB1 ALA A 66 4.303 5.730 2.085 1.00 0.80 H new ATOM 0 HB2 ALA A 66 4.865 5.443 3.749 1.00 0.80 H new ATOM 0 HB3 ALA A 66 4.755 7.105 3.120 1.00 0.80 H new ATOM 725 N THR A 67 6.350 6.175 -0.067 1.00 0.57 N ATOM 726 CA THR A 67 6.355 6.935 -1.304 1.00 0.51 C ATOM 727 C THR A 67 5.058 6.707 -2.083 1.00 0.41 C ATOM 728 O THR A 67 4.996 6.882 -3.295 1.00 0.55 O ATOM 729 CB THR A 67 7.567 6.518 -2.174 1.00 0.62 C ATOM 730 OG1 THR A 67 7.685 7.364 -3.324 1.00 0.67 O ATOM 731 CG2 THR A 67 7.440 5.061 -2.616 1.00 0.70 C ATOM 0 H THR A 67 6.167 5.177 -0.170 1.00 0.57 H new ATOM 0 HA THR A 67 6.432 7.994 -1.058 1.00 0.51 H new ATOM 0 HB THR A 67 8.465 6.626 -1.566 1.00 0.62 H new ATOM 0 HG1 THR A 67 6.808 7.459 -3.752 1.00 0.67 H new ATOM 0 HG21 THR A 67 8.302 4.789 -3.226 1.00 0.70 H new ATOM 0 HG22 THR A 67 7.399 4.417 -1.738 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.528 4.936 -3.200 1.00 0.70 H new ATOM 739 N HIS A 68 4.002 6.347 -1.363 1.00 0.50 N ATOM 740 CA HIS A 68 2.647 6.448 -1.895 1.00 0.42 C ATOM 741 C HIS A 68 1.660 6.757 -0.795 1.00 0.44 C ATOM 742 O HIS A 68 1.590 6.047 0.204 1.00 0.61 O ATOM 743 CB HIS A 68 2.225 5.151 -2.607 1.00 0.51 C ATOM 744 CG HIS A 68 2.757 5.004 -4.004 1.00 0.50 C ATOM 745 ND1 HIS A 68 2.131 5.541 -5.107 1.00 1.34 N ATOM 746 CD2 HIS A 68 3.870 4.386 -4.474 1.00 1.05 C ATOM 747 CE1 HIS A 68 2.833 5.264 -6.191 1.00 1.10 C ATOM 748 NE2 HIS A 68 3.895 4.564 -5.838 1.00 0.72 N ATOM 0 H HIS A 68 4.057 5.983 -0.412 1.00 0.50 H new ATOM 0 HA HIS A 68 2.646 7.262 -2.620 1.00 0.42 H new ATOM 0 HB2 HIS A 68 2.560 4.300 -2.013 1.00 0.51 H new ATOM 0 HB3 HIS A 68 1.136 5.108 -2.640 1.00 0.51 H new ATOM 0 HD2 HIS A 68 4.602 3.852 -3.885 1.00 1.05 H new ATOM 0 HE1 HIS A 68 2.580 5.561 -7.198 1.00 1.10 H new ATOM 0 HE2 HIS A 68 4.614 4.214 -6.471 1.00 0.72 H new ATOM 757 N VAL A 69 0.923 7.835 -0.976 1.00 0.37 N ATOM 758 CA VAL A 69 -0.169 8.168 -0.092 1.00 0.36 C ATOM 759 C VAL A 69 -1.476 7.976 -0.841 1.00 0.34 C ATOM 760 O VAL A 69 -1.718 8.641 -1.843 1.00 0.43 O ATOM 761 CB VAL A 69 -0.074 9.624 0.414 1.00 0.41 C ATOM 762 CG1 VAL A 69 -1.266 9.955 1.293 1.00 0.49 C ATOM 763 CG2 VAL A 69 1.229 9.858 1.168 1.00 0.43 C ATOM 0 H VAL A 69 1.065 8.500 -1.737 1.00 0.37 H new ATOM 0 HA VAL A 69 -0.121 7.513 0.778 1.00 0.36 H new ATOM 0 HB VAL A 69 -0.084 10.286 -0.452 1.00 0.41 H new ATOM 0 HG11 VAL A 69 -1.186 10.984 1.642 1.00 0.49 H new ATOM 0 HG12 VAL A 69 -2.185 9.837 0.719 1.00 0.49 H new ATOM 0 HG13 VAL A 69 -1.285 9.281 2.150 1.00 0.49 H new ATOM 0 HG21 VAL A 69 1.269 10.891 1.513 1.00 0.43 H new ATOM 0 HG22 VAL A 69 1.279 9.187 2.026 1.00 0.43 H new ATOM 0 HG23 VAL A 69 2.073 9.663 0.506 1.00 0.43 H new ATOM 773 N VAL A 70 -2.293 7.057 -0.360 1.00 0.35 N ATOM 774 CA VAL A 70 -3.558 6.721 -1.001 1.00 0.36 C ATOM 775 C VAL A 70 -4.737 7.054 -0.095 1.00 0.39 C ATOM 776 O VAL A 70 -4.851 6.551 1.027 1.00 0.65 O ATOM 777 CB VAL A 70 -3.612 5.229 -1.385 1.00 0.46 C ATOM 778 CG1 VAL A 70 -3.093 5.010 -2.795 1.00 0.90 C ATOM 779 CG2 VAL A 70 -2.810 4.397 -0.405 1.00 0.69 C ATOM 0 H VAL A 70 -2.101 6.521 0.486 1.00 0.35 H new ATOM 0 HA VAL A 70 -3.626 7.321 -1.909 1.00 0.36 H new ATOM 0 HB VAL A 70 -4.655 4.913 -1.347 1.00 0.46 H new ATOM 0 HG11 VAL A 70 -3.142 3.949 -3.040 1.00 0.90 H new ATOM 0 HG12 VAL A 70 -3.704 5.574 -3.499 1.00 0.90 H new ATOM 0 HG13 VAL A 70 -2.059 5.350 -2.859 1.00 0.90 H new ATOM 0 HG21 VAL A 70 -2.860 3.347 -0.693 1.00 0.69 H new ATOM 0 HG22 VAL A 70 -1.771 4.726 -0.413 1.00 0.69 H new ATOM 0 HG23 VAL A 70 -3.221 4.519 0.597 1.00 0.69 H new ATOM 789 N MET A 71 -5.588 7.930 -0.588 1.00 0.35 N ATOM 790 CA MET A 71 -6.809 8.323 0.103 1.00 0.34 C ATOM 791 C MET A 71 -8.000 7.970 -0.787 1.00 0.30 C ATOM 792 O MET A 71 -7.858 7.947 -2.002 1.00 0.37 O ATOM 793 CB MET A 71 -6.788 9.832 0.395 1.00 0.45 C ATOM 794 CG MET A 71 -7.832 10.271 1.406 1.00 1.06 C ATOM 795 SD MET A 71 -7.935 12.062 1.606 1.00 1.38 S ATOM 796 CE MET A 71 -6.231 12.481 1.950 1.00 1.68 C ATOM 0 H MET A 71 -5.455 8.395 -1.486 1.00 0.35 H new ATOM 0 HA MET A 71 -6.888 7.796 1.054 1.00 0.34 H new ATOM 0 HB2 MET A 71 -5.800 10.109 0.763 1.00 0.45 H new ATOM 0 HB3 MET A 71 -6.945 10.376 -0.536 1.00 0.45 H new ATOM 0 HG2 MET A 71 -8.806 9.891 1.098 1.00 1.06 H new ATOM 0 HG3 MET A 71 -7.604 9.818 2.371 1.00 1.06 H new ATOM 0 HE1 MET A 71 -6.174 13.511 2.303 1.00 1.68 H new ATOM 0 HE2 MET A 71 -5.839 11.812 2.716 1.00 1.68 H new ATOM 0 HE3 MET A 71 -5.640 12.376 1.040 1.00 1.68 H new ATOM 806 N GLU A 72 -9.160 7.690 -0.208 1.00 0.33 N ATOM 807 CA GLU A 72 -10.301 7.229 -1.002 1.00 0.39 C ATOM 808 C GLU A 72 -11.317 8.333 -1.262 1.00 0.41 C ATOM 809 O GLU A 72 -11.525 9.203 -0.417 1.00 0.49 O ATOM 810 CB GLU A 72 -11.005 6.073 -0.307 1.00 0.56 C ATOM 811 CG GLU A 72 -11.556 6.442 1.056 1.00 1.10 C ATOM 812 CD GLU A 72 -12.552 5.431 1.578 1.00 1.59 C ATOM 813 OE1 GLU A 72 -12.889 4.483 0.843 1.00 1.94 O ATOM 814 OE2 GLU A 72 -13.014 5.588 2.722 1.00 2.28 O ATOM 0 H GLU A 72 -9.339 7.771 0.793 1.00 0.33 H new ATOM 0 HA GLU A 72 -9.895 6.905 -1.960 1.00 0.39 H new ATOM 0 HB2 GLU A 72 -11.821 5.721 -0.938 1.00 0.56 H new ATOM 0 HB3 GLU A 72 -10.306 5.244 -0.197 1.00 0.56 H new ATOM 0 HG2 GLU A 72 -10.732 6.532 1.764 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -12.034 7.420 0.997 1.00 1.10 H new ATOM 821 N GLU A 73 -11.954 8.261 -2.438 1.00 0.51 N ATOM 822 CA GLU A 73 -13.024 9.186 -2.828 1.00 0.68 C ATOM 823 C GLU A 73 -12.577 10.630 -2.662 1.00 0.66 C ATOM 824 O GLU A 73 -13.354 11.493 -2.251 1.00 0.81 O ATOM 825 CB GLU A 73 -14.278 8.936 -1.989 1.00 0.87 C ATOM 826 CG GLU A 73 -14.725 7.487 -1.972 1.00 1.08 C ATOM 827 CD GLU A 73 -15.986 7.283 -1.163 1.00 1.30 C ATOM 828 OE1 GLU A 73 -15.979 7.592 0.048 1.00 1.74 O ATOM 829 OE2 GLU A 73 -16.994 6.823 -1.738 1.00 1.54 O ATOM 0 H GLU A 73 -11.741 7.558 -3.146 1.00 0.51 H new ATOM 0 HA GLU A 73 -13.255 9.009 -3.878 1.00 0.68 H new ATOM 0 HB2 GLU A 73 -14.089 9.260 -0.966 1.00 0.87 H new ATOM 0 HB3 GLU A 73 -15.090 9.552 -2.374 1.00 0.87 H new ATOM 0 HG2 GLU A 73 -14.894 7.150 -2.995 1.00 1.08 H new ATOM 0 HG3 GLU A 73 -13.928 6.868 -1.560 1.00 1.08 H new ATOM 836 N THR A 74 -11.326 10.881 -2.991 1.00 0.57 N ATOM 837 CA THR A 74 -10.707 12.150 -2.683 1.00 0.56 C ATOM 838 C THR A 74 -10.601 13.049 -3.895 1.00 0.56 C ATOM 839 O THR A 74 -9.859 12.753 -4.826 1.00 0.75 O ATOM 840 CB THR A 74 -9.296 11.918 -2.136 1.00 0.77 C ATOM 841 OG1 THR A 74 -9.304 10.788 -1.263 1.00 1.11 O ATOM 842 CG2 THR A 74 -8.804 13.140 -1.389 1.00 0.63 C ATOM 0 H THR A 74 -10.718 10.219 -3.473 1.00 0.57 H new ATOM 0 HA THR A 74 -11.341 12.640 -1.944 1.00 0.56 H new ATOM 0 HB THR A 74 -8.622 11.731 -2.972 1.00 0.77 H new ATOM 0 HG1 THR A 74 -10.029 10.884 -0.611 1.00 1.11 H new ATOM 0 HG21 THR A 74 -7.800 12.954 -1.009 1.00 0.63 H new ATOM 0 HG22 THR A 74 -8.784 13.995 -2.064 1.00 0.63 H new ATOM 0 HG23 THR A 74 -9.474 13.351 -0.556 1.00 0.63 H new ATOM 850 N SER A 75 -11.374 14.123 -3.915 1.00 0.55 N ATOM 851 CA SER A 75 -11.104 15.209 -4.833 1.00 0.63 C ATOM 852 C SER A 75 -9.708 15.751 -4.557 1.00 0.53 C ATOM 853 O SER A 75 -9.197 15.621 -3.440 1.00 0.52 O ATOM 854 CB SER A 75 -12.145 16.321 -4.679 1.00 0.76 C ATOM 855 OG SER A 75 -12.131 17.205 -5.790 1.00 1.31 O ATOM 0 H SER A 75 -12.184 14.262 -3.311 1.00 0.55 H new ATOM 0 HA SER A 75 -11.160 14.838 -5.856 1.00 0.63 H new ATOM 0 HB2 SER A 75 -13.137 15.881 -4.576 1.00 0.76 H new ATOM 0 HB3 SER A 75 -11.948 16.881 -3.765 1.00 0.76 H new ATOM 0 HG SER A 75 -11.539 17.962 -5.598 1.00 1.31 H new ATOM 861 N ALA A 76 -9.118 16.367 -5.563 1.00 0.52 N ATOM 862 CA ALA A 76 -7.730 16.827 -5.502 1.00 0.49 C ATOM 863 C ALA A 76 -7.442 17.614 -4.225 1.00 0.40 C ATOM 864 O ALA A 76 -6.603 17.222 -3.412 1.00 0.41 O ATOM 865 CB ALA A 76 -7.423 17.693 -6.712 1.00 0.57 C ATOM 0 H ALA A 76 -9.581 16.566 -6.450 1.00 0.52 H new ATOM 0 HA ALA A 76 -7.091 15.944 -5.500 1.00 0.49 H new ATOM 0 HB1 ALA A 76 -6.389 18.033 -6.663 1.00 0.57 H new ATOM 0 HB2 ALA A 76 -7.571 17.112 -7.622 1.00 0.57 H new ATOM 0 HB3 ALA A 76 -8.089 18.556 -6.720 1.00 0.57 H new ATOM 871 N GLU A 77 -8.173 18.705 -4.062 1.00 0.42 N ATOM 872 CA GLU A 77 -7.949 19.655 -2.973 1.00 0.44 C ATOM 873 C GLU A 77 -7.887 18.973 -1.603 1.00 0.38 C ATOM 874 O GLU A 77 -7.033 19.311 -0.784 1.00 0.39 O ATOM 875 CB GLU A 77 -9.027 20.740 -2.973 1.00 0.61 C ATOM 876 CG GLU A 77 -10.438 20.202 -3.104 1.00 1.06 C ATOM 877 CD GLU A 77 -10.915 20.158 -4.536 1.00 1.33 C ATOM 878 OE1 GLU A 77 -10.544 19.218 -5.265 1.00 1.80 O ATOM 879 OE2 GLU A 77 -11.659 21.071 -4.940 1.00 1.91 O ATOM 0 H GLU A 77 -8.942 18.962 -4.681 1.00 0.42 H new ATOM 0 HA GLU A 77 -6.976 20.114 -3.151 1.00 0.44 H new ATOM 0 HB2 GLU A 77 -8.951 21.314 -2.049 1.00 0.61 H new ATOM 0 HB3 GLU A 77 -8.834 21.431 -3.794 1.00 0.61 H new ATOM 0 HG2 GLU A 77 -10.481 19.199 -2.680 1.00 1.06 H new ATOM 0 HG3 GLU A 77 -11.115 20.824 -2.519 1.00 1.06 H new ATOM 886 N GLU A 78 -8.803 18.043 -1.348 1.00 0.41 N ATOM 887 CA GLU A 78 -8.817 17.292 -0.094 1.00 0.43 C ATOM 888 C GLU A 78 -7.443 16.709 0.249 1.00 0.38 C ATOM 889 O GLU A 78 -6.871 17.018 1.299 1.00 0.40 O ATOM 890 CB GLU A 78 -9.855 16.177 -0.152 1.00 0.51 C ATOM 891 CG GLU A 78 -11.276 16.688 -0.279 1.00 0.59 C ATOM 892 CD GLU A 78 -11.671 17.595 0.867 1.00 1.23 C ATOM 893 OE1 GLU A 78 -11.513 17.186 2.037 1.00 1.95 O ATOM 894 OE2 GLU A 78 -12.116 18.736 0.603 1.00 1.38 O ATOM 0 H GLU A 78 -9.549 17.790 -1.996 1.00 0.41 H new ATOM 0 HA GLU A 78 -9.082 17.995 0.696 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -9.633 15.527 -0.998 1.00 0.51 H new ATOM 0 HB3 GLU A 78 -9.774 15.568 0.748 1.00 0.51 H new ATOM 0 HG2 GLU A 78 -11.381 17.229 -1.219 1.00 0.59 H new ATOM 0 HG3 GLU A 78 -11.961 15.841 -0.320 1.00 0.59 H new ATOM 901 N ALA A 79 -6.906 15.881 -0.640 1.00 0.34 N ATOM 902 CA ALA A 79 -5.610 15.252 -0.398 1.00 0.32 C ATOM 903 C ALA A 79 -4.475 16.263 -0.548 1.00 0.33 C ATOM 904 O ALA A 79 -3.400 16.086 0.022 1.00 0.38 O ATOM 905 CB ALA A 79 -5.403 14.059 -1.321 1.00 0.32 C ATOM 0 H ALA A 79 -7.342 15.630 -1.527 1.00 0.34 H new ATOM 0 HA ALA A 79 -5.600 14.887 0.629 1.00 0.32 H new ATOM 0 HB1 ALA A 79 -4.431 13.608 -1.121 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -6.187 13.323 -1.145 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -5.442 14.391 -2.359 1.00 0.32 H new ATOM 911 N VAL A 80 -4.723 17.331 -1.296 1.00 0.33 N ATOM 912 CA VAL A 80 -3.757 18.419 -1.431 1.00 0.39 C ATOM 913 C VAL A 80 -3.590 19.140 -0.095 1.00 0.45 C ATOM 914 O VAL A 80 -2.475 19.470 0.316 1.00 0.52 O ATOM 915 CB VAL A 80 -4.198 19.420 -2.525 1.00 0.43 C ATOM 916 CG1 VAL A 80 -3.436 20.729 -2.420 1.00 0.50 C ATOM 917 CG2 VAL A 80 -4.005 18.812 -3.905 1.00 0.44 C ATOM 0 H VAL A 80 -5.587 17.469 -1.821 1.00 0.33 H new ATOM 0 HA VAL A 80 -2.800 17.991 -1.728 1.00 0.39 H new ATOM 0 HB VAL A 80 -5.256 19.634 -2.373 1.00 0.43 H new ATOM 0 HG11 VAL A 80 -3.771 21.409 -3.204 1.00 0.50 H new ATOM 0 HG12 VAL A 80 -3.620 21.180 -1.445 1.00 0.50 H new ATOM 0 HG13 VAL A 80 -2.369 20.539 -2.536 1.00 0.50 H new ATOM 0 HG21 VAL A 80 -4.319 19.527 -4.665 1.00 0.44 H new ATOM 0 HG22 VAL A 80 -2.953 18.567 -4.051 1.00 0.44 H new ATOM 0 HG23 VAL A 80 -4.604 17.905 -3.990 1.00 0.44 H new ATOM 927 N SER A 81 -4.706 19.353 0.586 1.00 0.46 N ATOM 928 CA SER A 81 -4.699 19.962 1.907 1.00 0.55 C ATOM 929 C SER A 81 -4.048 19.007 2.901 1.00 0.53 C ATOM 930 O SER A 81 -3.252 19.415 3.747 1.00 0.59 O ATOM 931 CB SER A 81 -6.128 20.307 2.328 1.00 0.59 C ATOM 932 OG SER A 81 -6.748 21.131 1.354 1.00 1.03 O ATOM 0 H SER A 81 -5.635 19.111 0.242 1.00 0.46 H new ATOM 0 HA SER A 81 -4.121 20.886 1.885 1.00 0.55 H new ATOM 0 HB2 SER A 81 -6.706 19.392 2.460 1.00 0.59 H new ATOM 0 HB3 SER A 81 -6.116 20.818 3.291 1.00 0.59 H new ATOM 0 HG SER A 81 -6.921 20.607 0.544 1.00 1.03 H new ATOM 938 N TRP A 82 -4.408 17.731 2.793 1.00 0.46 N ATOM 939 CA TRP A 82 -3.738 16.675 3.543 1.00 0.47 C ATOM 940 C TRP A 82 -2.224 16.724 3.327 1.00 0.48 C ATOM 941 O TRP A 82 -1.453 16.610 4.279 1.00 0.52 O ATOM 942 CB TRP A 82 -4.304 15.311 3.138 1.00 0.46 C ATOM 943 CG TRP A 82 -3.355 14.171 3.342 1.00 0.42 C ATOM 944 CD1 TRP A 82 -2.703 13.479 2.364 1.00 0.42 C ATOM 945 CD2 TRP A 82 -2.938 13.595 4.587 1.00 0.42 C ATOM 946 NE1 TRP A 82 -1.910 12.513 2.920 1.00 0.41 N ATOM 947 CE2 TRP A 82 -2.035 12.561 4.281 1.00 0.40 C ATOM 948 CE3 TRP A 82 -3.234 13.854 5.928 1.00 0.46 C ATOM 949 CZ2 TRP A 82 -1.433 11.783 5.260 1.00 0.41 C ATOM 950 CZ3 TRP A 82 -2.632 13.077 6.903 1.00 0.46 C ATOM 951 CH2 TRP A 82 -1.738 12.054 6.562 1.00 0.43 C ATOM 0 H TRP A 82 -5.163 17.403 2.191 1.00 0.46 H new ATOM 0 HA TRP A 82 -3.923 16.830 4.606 1.00 0.47 H new ATOM 0 HB2 TRP A 82 -5.212 15.121 3.711 1.00 0.46 H new ATOM 0 HB3 TRP A 82 -4.592 15.346 2.087 1.00 0.46 H new ATOM 0 HD1 TRP A 82 -2.799 13.666 1.305 1.00 0.42 H new ATOM 0 HE1 TRP A 82 -1.320 11.861 2.403 1.00 0.41 H new ATOM 0 HE3 TRP A 82 -3.919 14.644 6.198 1.00 0.46 H new ATOM 0 HZ2 TRP A 82 -0.747 10.990 5.000 1.00 0.41 H new ATOM 0 HZ3 TRP A 82 -2.855 13.263 7.943 1.00 0.46 H new ATOM 0 HH2 TRP A 82 -1.281 11.468 7.346 1.00 0.43 H new ATOM 962 N GLN A 83 -1.809 16.899 2.077 1.00 0.49 N ATOM 963 CA GLN A 83 -0.395 17.023 1.735 1.00 0.55 C ATOM 964 C GLN A 83 0.275 18.137 2.535 1.00 0.60 C ATOM 965 O GLN A 83 1.346 17.940 3.110 1.00 0.61 O ATOM 966 CB GLN A 83 -0.248 17.309 0.245 1.00 0.64 C ATOM 967 CG GLN A 83 1.186 17.525 -0.195 1.00 0.84 C ATOM 968 CD GLN A 83 1.301 17.875 -1.661 1.00 1.04 C ATOM 969 OE1 GLN A 83 2.284 17.528 -2.313 1.00 1.48 O ATOM 970 NE2 GLN A 83 0.305 18.569 -2.187 1.00 0.98 N ATOM 0 H GLN A 83 -2.438 16.959 1.276 1.00 0.49 H new ATOM 0 HA GLN A 83 0.095 16.081 1.983 1.00 0.55 H new ATOM 0 HB2 GLN A 83 -0.670 16.477 -0.319 1.00 0.64 H new ATOM 0 HB3 GLN A 83 -0.833 18.194 -0.006 1.00 0.64 H new ATOM 0 HG2 GLN A 83 1.628 18.324 0.401 1.00 0.84 H new ATOM 0 HG3 GLN A 83 1.763 16.622 0.005 1.00 0.84 H new ATOM 0 HE21 GLN A 83 -0.492 18.836 -1.609 1.00 0.98 H new ATOM 0 HE22 GLN A 83 0.334 18.837 -3.171 1.00 0.98 H new ATOM 979 N GLU A 84 -0.366 19.299 2.546 1.00 0.68 N ATOM 980 CA GLU A 84 0.130 20.458 3.283 1.00 0.78 C ATOM 981 C GLU A 84 0.332 20.138 4.760 1.00 0.82 C ATOM 982 O GLU A 84 1.274 20.622 5.386 1.00 0.95 O ATOM 983 CB GLU A 84 -0.828 21.630 3.118 1.00 0.86 C ATOM 984 CG GLU A 84 -0.822 22.203 1.715 1.00 0.94 C ATOM 985 CD GLU A 84 0.474 22.915 1.390 1.00 1.25 C ATOM 986 OE1 GLU A 84 1.475 22.227 1.096 1.00 1.61 O ATOM 987 OE2 GLU A 84 0.507 24.164 1.431 1.00 1.47 O ATOM 0 H GLU A 84 -1.240 19.466 2.047 1.00 0.68 H new ATOM 0 HA GLU A 84 1.101 20.730 2.870 1.00 0.78 H new ATOM 0 HB2 GLU A 84 -1.838 21.305 3.368 1.00 0.86 H new ATOM 0 HB3 GLU A 84 -0.561 22.414 3.826 1.00 0.86 H new ATOM 0 HG2 GLU A 84 -0.983 21.399 0.996 1.00 0.94 H new ATOM 0 HG3 GLU A 84 -1.654 22.899 1.606 1.00 0.94 H new ATOM 994 N ARG A 85 -0.551 19.314 5.310 1.00 0.77 N ATOM 995 CA ARG A 85 -0.434 18.888 6.700 1.00 0.87 C ATOM 996 C ARG A 85 0.627 17.804 6.840 1.00 0.80 C ATOM 997 O ARG A 85 1.337 17.742 7.840 1.00 0.93 O ATOM 998 CB ARG A 85 -1.775 18.378 7.229 1.00 0.96 C ATOM 999 CG ARG A 85 -2.812 19.471 7.403 1.00 1.23 C ATOM 1000 CD ARG A 85 -4.112 18.912 7.954 1.00 1.45 C ATOM 1001 NE ARG A 85 -5.030 19.970 8.364 1.00 2.09 N ATOM 1002 CZ ARG A 85 -6.145 19.761 9.061 1.00 2.42 C ATOM 1003 NH1 ARG A 85 -6.516 18.524 9.372 1.00 2.45 N ATOM 1004 NH2 ARG A 85 -6.885 20.793 9.440 1.00 3.26 N ATOM 0 H ARG A 85 -1.355 18.927 4.816 1.00 0.77 H new ATOM 0 HA ARG A 85 -0.135 19.753 7.292 1.00 0.87 H new ATOM 0 HB2 ARG A 85 -2.164 17.625 6.544 1.00 0.96 H new ATOM 0 HB3 ARG A 85 -1.614 17.885 8.188 1.00 0.96 H new ATOM 0 HG2 ARG A 85 -2.428 20.237 8.077 1.00 1.23 H new ATOM 0 HG3 ARG A 85 -2.999 19.955 6.444 1.00 1.23 H new ATOM 0 HD2 ARG A 85 -4.590 18.291 7.197 1.00 1.45 H new ATOM 0 HD3 ARG A 85 -3.897 18.267 8.806 1.00 1.45 H new ATOM 0 HE ARG A 85 -4.803 20.929 8.100 1.00 2.09 H new ATOM 0 HH11 ARG A 85 -5.946 17.731 9.077 1.00 2.45 H new ATOM 0 HH12 ARG A 85 -7.371 18.367 9.906 1.00 2.45 H new ATOM 0 HH21 ARG A 85 -6.599 21.742 9.198 1.00 3.26 H new ATOM 0 HH22 ARG A 85 -7.740 20.639 9.974 1.00 3.26 H new ATOM 1018 N ARG A 86 0.723 16.954 5.830 1.00 0.71 N ATOM 1019 CA ARG A 86 1.723 15.899 5.802 1.00 0.80 C ATOM 1020 C ARG A 86 3.130 16.492 5.843 1.00 0.75 C ATOM 1021 O ARG A 86 3.962 16.081 6.648 1.00 0.78 O ATOM 1022 CB ARG A 86 1.548 15.036 4.546 1.00 0.96 C ATOM 1023 CG ARG A 86 2.628 13.984 4.370 1.00 1.18 C ATOM 1024 CD ARG A 86 2.397 13.135 3.127 1.00 1.04 C ATOM 1025 NE ARG A 86 2.297 13.932 1.895 1.00 1.92 N ATOM 1026 CZ ARG A 86 3.325 14.568 1.317 1.00 2.68 C ATOM 1027 NH1 ARG A 86 4.516 14.591 1.903 1.00 2.91 N ATOM 1028 NH2 ARG A 86 3.156 15.187 0.154 1.00 3.72 N ATOM 0 H ARG A 86 0.114 16.975 5.012 1.00 0.71 H new ATOM 0 HA ARG A 86 1.587 15.271 6.682 1.00 0.80 H new ATOM 0 HB2 ARG A 86 0.577 14.543 4.588 1.00 0.96 H new ATOM 0 HB3 ARG A 86 1.539 15.684 3.670 1.00 0.96 H new ATOM 0 HG2 ARG A 86 3.601 14.471 4.302 1.00 1.18 H new ATOM 0 HG3 ARG A 86 2.655 13.340 5.249 1.00 1.18 H new ATOM 0 HD2 ARG A 86 3.214 12.421 3.025 1.00 1.04 H new ATOM 0 HD3 ARG A 86 1.482 12.557 3.254 1.00 1.04 H new ATOM 0 HE ARG A 86 1.382 14.006 1.450 1.00 1.92 H new ATOM 0 HH11 ARG A 86 4.653 14.123 2.799 1.00 2.91 H new ATOM 0 HH12 ARG A 86 5.294 15.077 1.457 1.00 2.91 H new ATOM 0 HH21 ARG A 86 2.243 15.179 -0.300 1.00 3.72 H new ATOM 0 HH22 ARG A 86 3.939 15.671 -0.285 1.00 3.72 H new ATOM 1042 N MET A 87 3.385 17.454 4.967 1.00 0.77 N ATOM 1043 CA MET A 87 4.687 18.121 4.914 1.00 0.89 C ATOM 1044 C MET A 87 4.934 18.976 6.157 1.00 0.93 C ATOM 1045 O MET A 87 6.070 19.341 6.448 1.00 1.01 O ATOM 1046 CB MET A 87 4.800 18.978 3.648 1.00 1.11 C ATOM 1047 CG MET A 87 4.653 18.188 2.351 1.00 1.21 C ATOM 1048 SD MET A 87 6.214 17.552 1.685 1.00 1.69 S ATOM 1049 CE MET A 87 6.812 16.486 2.999 1.00 1.11 C ATOM 0 H MET A 87 2.710 17.793 4.281 1.00 0.77 H new ATOM 0 HA MET A 87 5.452 17.346 4.887 1.00 0.89 H new ATOM 0 HB2 MET A 87 4.036 19.755 3.677 1.00 1.11 H new ATOM 0 HB3 MET A 87 5.767 19.482 3.647 1.00 1.11 H new ATOM 0 HG2 MET A 87 3.977 17.351 2.524 1.00 1.21 H new ATOM 0 HG3 MET A 87 4.185 18.826 1.602 1.00 1.21 H new ATOM 0 HE1 MET A 87 7.415 15.685 2.572 1.00 1.11 H new ATOM 0 HE2 MET A 87 7.420 17.068 3.692 1.00 1.11 H new ATOM 0 HE3 MET A 87 5.964 16.056 3.533 1.00 1.11 H new ATOM 1059 N ALA A 88 3.872 19.296 6.883 1.00 0.97 N ATOM 1060 CA ALA A 88 4.003 20.023 8.140 1.00 1.13 C ATOM 1061 C ALA A 88 4.305 19.065 9.288 1.00 1.14 C ATOM 1062 O ALA A 88 4.884 19.452 10.303 1.00 1.29 O ATOM 1063 CB ALA A 88 2.737 20.817 8.428 1.00 1.32 C ATOM 0 H ALA A 88 2.913 19.065 6.625 1.00 0.97 H new ATOM 0 HA ALA A 88 4.836 20.720 8.048 1.00 1.13 H new ATOM 0 HB1 ALA A 88 2.851 21.354 9.370 1.00 1.32 H new ATOM 0 HB2 ALA A 88 2.564 21.530 7.622 1.00 1.32 H new ATOM 0 HB3 ALA A 88 1.889 20.136 8.499 1.00 1.32 H new ATOM 1069 N ALA A 89 3.910 17.808 9.119 1.00 1.05 N ATOM 1070 CA ALA A 89 4.135 16.787 10.136 1.00 1.18 C ATOM 1071 C ALA A 89 5.516 16.168 9.961 1.00 1.20 C ATOM 1072 O ALA A 89 6.114 15.658 10.910 1.00 1.45 O ATOM 1073 CB ALA A 89 3.052 15.717 10.063 1.00 1.25 C ATOM 0 H ALA A 89 3.431 17.471 8.284 1.00 1.05 H new ATOM 0 HA ALA A 89 4.087 17.254 11.120 1.00 1.18 H new ATOM 0 HB1 ALA A 89 3.234 14.962 10.828 1.00 1.25 H new ATOM 0 HB2 ALA A 89 2.077 16.175 10.229 1.00 1.25 H new ATOM 0 HB3 ALA A 89 3.070 15.248 9.079 1.00 1.25 H new ATOM 1079 N ALA A 90 6.001 16.213 8.734 1.00 1.01 N ATOM 1080 CA ALA A 90 7.342 15.764 8.409 1.00 1.10 C ATOM 1081 C ALA A 90 8.270 16.973 8.305 1.00 1.12 C ATOM 1082 O ALA A 90 7.800 18.110 8.355 1.00 1.00 O ATOM 1083 CB ALA A 90 7.310 14.984 7.097 1.00 1.05 C ATOM 0 H ALA A 90 5.475 16.563 7.933 1.00 1.01 H new ATOM 0 HA ALA A 90 7.718 15.107 9.193 1.00 1.10 H new ATOM 0 HB1 ALA A 90 8.316 14.645 6.850 1.00 1.05 H new ATOM 0 HB2 ALA A 90 6.653 14.121 7.203 1.00 1.05 H new ATOM 0 HB3 ALA A 90 6.938 15.628 6.300 1.00 1.05 H new ATOM 1089 N PRO A 91 9.593 16.766 8.209 1.00 1.40 N ATOM 1090 CA PRO A 91 10.526 17.858 7.927 1.00 1.57 C ATOM 1091 C PRO A 91 10.156 18.581 6.632 1.00 1.45 C ATOM 1092 O PRO A 91 9.837 17.943 5.628 1.00 1.42 O ATOM 1093 CB PRO A 91 11.889 17.160 7.790 1.00 1.91 C ATOM 1094 CG PRO A 91 11.585 15.703 7.671 1.00 1.96 C ATOM 1095 CD PRO A 91 10.291 15.486 8.397 1.00 1.67 C ATOM 0 HA PRO A 91 10.519 18.620 8.706 1.00 1.57 H new ATOM 0 HB2 PRO A 91 12.428 17.521 6.914 1.00 1.91 H new ATOM 0 HB3 PRO A 91 12.520 17.359 8.656 1.00 1.91 H new ATOM 0 HG2 PRO A 91 11.499 15.407 6.625 1.00 1.96 H new ATOM 0 HG3 PRO A 91 12.382 15.102 8.108 1.00 1.96 H new ATOM 0 HD2 PRO A 91 9.727 14.653 7.978 1.00 1.67 H new ATOM 0 HD3 PRO A 91 10.451 15.264 9.452 1.00 1.67 H new ATOM 1103 N PRO A 92 10.197 19.924 6.638 1.00 1.56 N ATOM 1104 CA PRO A 92 9.783 20.741 5.487 1.00 1.67 C ATOM 1105 C PRO A 92 10.663 20.521 4.259 1.00 1.87 C ATOM 1106 O PRO A 92 10.312 20.928 3.150 1.00 2.74 O ATOM 1107 CB PRO A 92 9.923 22.184 5.991 1.00 1.98 C ATOM 1108 CG PRO A 92 9.986 22.078 7.475 1.00 2.05 C ATOM 1109 CD PRO A 92 10.632 20.757 7.768 1.00 1.77 C ATOM 0 HA PRO A 92 8.775 20.485 5.161 1.00 1.67 H new ATOM 0 HB2 PRO A 92 10.822 22.654 5.592 1.00 1.98 H new ATOM 0 HB3 PRO A 92 9.077 22.794 5.676 1.00 1.98 H new ATOM 0 HG2 PRO A 92 10.564 22.898 7.901 1.00 2.05 H new ATOM 0 HG3 PRO A 92 8.989 22.130 7.913 1.00 2.05 H new ATOM 0 HD2 PRO A 92 11.718 20.839 7.815 1.00 1.77 H new ATOM 0 HD3 PRO A 92 10.301 20.348 8.723 1.00 1.77 H new ATOM 1117 N GLY A 93 11.811 19.886 4.464 1.00 1.48 N ATOM 1118 CA GLY A 93 12.699 19.573 3.363 1.00 1.64 C ATOM 1119 C GLY A 93 12.654 18.106 2.993 1.00 1.50 C ATOM 1120 O GLY A 93 13.510 17.616 2.250 1.00 1.68 O ATOM 0 H GLY A 93 12.143 19.581 5.379 1.00 1.48 H new ATOM 0 HA2 GLY A 93 12.425 20.174 2.495 1.00 1.64 H new ATOM 0 HA3 GLY A 93 13.719 19.847 3.632 1.00 1.64 H new ATOM 1124 N CYS A 94 11.666 17.396 3.520 1.00 1.28 N ATOM 1125 CA CYS A 94 11.482 15.989 3.204 1.00 1.27 C ATOM 1126 C CYS A 94 10.826 15.851 1.838 1.00 1.14 C ATOM 1127 O CYS A 94 9.881 16.573 1.520 1.00 1.17 O ATOM 1128 CB CYS A 94 10.621 15.312 4.274 1.00 1.33 C ATOM 1129 SG CYS A 94 10.347 13.541 4.013 1.00 2.34 S ATOM 0 H CYS A 94 10.978 17.775 4.171 1.00 1.28 H new ATOM 0 HA CYS A 94 12.456 15.500 3.183 1.00 1.27 H new ATOM 0 HB2 CYS A 94 11.094 15.454 5.246 1.00 1.33 H new ATOM 0 HB3 CYS A 94 9.654 15.814 4.314 1.00 1.33 H new ATOM 0 HG CYS A 94 9.072 13.311 3.900 1.00 2.34 H new ATOM 1135 N THR A 95 11.342 14.939 1.032 1.00 1.27 N ATOM 1136 CA THR A 95 10.803 14.698 -0.292 1.00 1.33 C ATOM 1137 C THR A 95 9.382 14.155 -0.200 1.00 0.96 C ATOM 1138 O THR A 95 9.145 13.120 0.424 1.00 0.86 O ATOM 1139 CB THR A 95 11.686 13.701 -1.058 1.00 1.73 C ATOM 1140 OG1 THR A 95 13.037 14.186 -1.095 1.00 1.72 O ATOM 1141 CG2 THR A 95 11.176 13.482 -2.476 1.00 2.23 C ATOM 0 H THR A 95 12.139 14.351 1.275 1.00 1.27 H new ATOM 0 HA THR A 95 10.787 15.646 -0.829 1.00 1.33 H new ATOM 0 HB THR A 95 11.651 12.744 -0.538 1.00 1.73 H new ATOM 0 HG1 THR A 95 13.600 13.549 -1.582 1.00 1.72 H new ATOM 0 HG21 THR A 95 11.823 12.771 -2.990 1.00 2.23 H new ATOM 0 HG22 THR A 95 10.160 13.088 -2.441 1.00 2.23 H new ATOM 0 HG23 THR A 95 11.179 14.430 -3.014 1.00 2.23 H new ATOM 1149 N PRO A 96 8.420 14.867 -0.800 1.00 0.93 N ATOM 1150 CA PRO A 96 7.018 14.456 -0.806 1.00 0.76 C ATOM 1151 C PRO A 96 6.800 13.159 -1.581 1.00 0.61 C ATOM 1152 O PRO A 96 7.191 13.046 -2.742 1.00 0.71 O ATOM 1153 CB PRO A 96 6.301 15.620 -1.503 1.00 1.07 C ATOM 1154 CG PRO A 96 7.357 16.306 -2.295 1.00 1.30 C ATOM 1155 CD PRO A 96 8.629 16.137 -1.518 1.00 1.27 C ATOM 0 HA PRO A 96 6.651 14.256 0.201 1.00 0.76 H new ATOM 0 HB2 PRO A 96 5.497 15.260 -2.145 1.00 1.07 H new ATOM 0 HB3 PRO A 96 5.850 16.297 -0.777 1.00 1.07 H new ATOM 0 HG2 PRO A 96 7.446 15.868 -3.289 1.00 1.30 H new ATOM 0 HG3 PRO A 96 7.120 17.361 -2.431 1.00 1.30 H new ATOM 0 HD2 PRO A 96 9.498 16.090 -2.174 1.00 1.27 H new ATOM 0 HD3 PRO A 96 8.793 16.966 -0.830 1.00 1.27 H new ATOM 1163 N PRO A 97 6.206 12.149 -0.918 1.00 0.50 N ATOM 1164 CA PRO A 97 5.783 10.896 -1.560 1.00 0.46 C ATOM 1165 C PRO A 97 4.750 11.124 -2.668 1.00 0.45 C ATOM 1166 O PRO A 97 4.567 12.240 -3.153 1.00 0.68 O ATOM 1167 CB PRO A 97 5.152 10.099 -0.405 1.00 0.59 C ATOM 1168 CG PRO A 97 4.866 11.103 0.653 1.00 0.69 C ATOM 1169 CD PRO A 97 5.948 12.127 0.528 1.00 0.64 C ATOM 0 HA PRO A 97 6.617 10.390 -2.046 1.00 0.46 H new ATOM 0 HB2 PRO A 97 4.240 9.596 -0.726 1.00 0.59 H new ATOM 0 HB3 PRO A 97 5.831 9.328 -0.042 1.00 0.59 H new ATOM 0 HG2 PRO A 97 3.882 11.551 0.514 1.00 0.69 H new ATOM 0 HG3 PRO A 97 4.871 10.645 1.642 1.00 0.69 H new ATOM 0 HD2 PRO A 97 5.628 13.101 0.897 1.00 0.64 H new ATOM 0 HD3 PRO A 97 6.837 11.848 1.094 1.00 0.64 H new ATOM 1177 N ALA A 98 4.030 10.075 -3.026 1.00 0.44 N ATOM 1178 CA ALA A 98 3.113 10.145 -4.146 1.00 0.44 C ATOM 1179 C ALA A 98 1.707 10.440 -3.654 1.00 0.38 C ATOM 1180 O ALA A 98 1.019 9.544 -3.162 1.00 0.39 O ATOM 1181 CB ALA A 98 3.133 8.850 -4.937 1.00 0.54 C ATOM 0 H ALA A 98 4.063 9.169 -2.559 1.00 0.44 H new ATOM 0 HA ALA A 98 3.433 10.953 -4.804 1.00 0.44 H new ATOM 0 HB1 ALA A 98 2.438 8.924 -5.773 1.00 0.54 H new ATOM 0 HB2 ALA A 98 4.139 8.671 -5.316 1.00 0.54 H new ATOM 0 HB3 ALA A 98 2.837 8.024 -4.290 1.00 0.54 H new ATOM 1187 N LEU A 99 1.299 11.694 -3.760 1.00 0.45 N ATOM 1188 CA LEU A 99 -0.033 12.102 -3.337 1.00 0.44 C ATOM 1189 C LEU A 99 -1.063 11.697 -4.380 1.00 0.44 C ATOM 1190 O LEU A 99 -1.114 12.275 -5.465 1.00 0.61 O ATOM 1191 CB LEU A 99 -0.081 13.616 -3.121 1.00 0.52 C ATOM 1192 CG LEU A 99 -1.412 14.158 -2.599 1.00 0.41 C ATOM 1193 CD1 LEU A 99 -1.693 13.617 -1.205 1.00 0.46 C ATOM 1194 CD2 LEU A 99 -1.396 15.678 -2.591 1.00 0.46 C ATOM 0 H LEU A 99 1.872 12.450 -4.136 1.00 0.45 H new ATOM 0 HA LEU A 99 -0.265 11.603 -2.396 1.00 0.44 H new ATOM 0 HB2 LEU A 99 0.706 13.892 -2.419 1.00 0.52 H new ATOM 0 HB3 LEU A 99 0.148 14.109 -4.066 1.00 0.52 H new ATOM 0 HG LEU A 99 -2.210 13.826 -3.263 1.00 0.41 H new ATOM 0 HD11 LEU A 99 -2.644 14.011 -0.846 1.00 0.46 H new ATOM 0 HD12 LEU A 99 -1.742 12.529 -1.240 1.00 0.46 H new ATOM 0 HD13 LEU A 99 -0.895 13.923 -0.528 1.00 0.46 H new ATOM 0 HD21 LEU A 99 -2.350 16.050 -2.217 1.00 0.46 H new ATOM 0 HD22 LEU A 99 -0.591 16.030 -1.946 1.00 0.46 H new ATOM 0 HD23 LEU A 99 -1.235 16.046 -3.605 1.00 0.46 H new ATOM 1206 N LEU A 100 -1.858 10.689 -4.061 1.00 0.44 N ATOM 1207 CA LEU A 100 -2.873 10.212 -4.977 1.00 0.39 C ATOM 1208 C LEU A 100 -4.003 9.489 -4.247 1.00 0.44 C ATOM 1209 O LEU A 100 -4.026 9.404 -3.019 1.00 0.66 O ATOM 1210 CB LEU A 100 -2.227 9.309 -6.036 1.00 0.53 C ATOM 1211 CG LEU A 100 -1.025 8.483 -5.559 1.00 0.54 C ATOM 1212 CD1 LEU A 100 -1.467 7.281 -4.743 1.00 0.79 C ATOM 1213 CD2 LEU A 100 -0.183 8.044 -6.742 1.00 0.98 C ATOM 0 H LEU A 100 -1.818 10.187 -3.174 1.00 0.44 H new ATOM 0 HA LEU A 100 -3.322 11.073 -5.471 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -2.986 8.626 -6.417 1.00 0.53 H new ATOM 0 HB3 LEU A 100 -1.909 9.931 -6.873 1.00 0.53 H new ATOM 0 HG LEU A 100 -0.418 9.117 -4.912 1.00 0.54 H new ATOM 0 HD11 LEU A 100 -0.591 6.718 -4.421 1.00 0.79 H new ATOM 0 HD12 LEU A 100 -2.023 7.619 -3.868 1.00 0.79 H new ATOM 0 HD13 LEU A 100 -2.105 6.642 -5.353 1.00 0.79 H new ATOM 0 HD21 LEU A 100 0.666 7.459 -6.387 1.00 0.98 H new ATOM 0 HD22 LEU A 100 -0.788 7.435 -7.413 1.00 0.98 H new ATOM 0 HD23 LEU A 100 0.179 8.922 -7.276 1.00 0.98 H new ATOM 1225 N ASP A 101 -4.945 8.992 -5.025 1.00 0.41 N ATOM 1226 CA ASP A 101 -6.110 8.309 -4.483 1.00 0.44 C ATOM 1227 C ASP A 101 -5.912 6.787 -4.478 1.00 0.40 C ATOM 1228 O ASP A 101 -5.051 6.253 -5.183 1.00 0.47 O ATOM 1229 CB ASP A 101 -7.317 8.702 -5.358 1.00 0.52 C ATOM 1230 CG ASP A 101 -8.630 8.069 -4.944 1.00 1.03 C ATOM 1231 OD1 ASP A 101 -8.899 6.925 -5.365 1.00 1.25 O ATOM 1232 OD2 ASP A 101 -9.425 8.727 -4.237 1.00 1.92 O ATOM 0 H ASP A 101 -4.928 9.048 -6.043 1.00 0.41 H new ATOM 0 HA ASP A 101 -6.272 8.605 -3.447 1.00 0.44 H new ATOM 0 HB2 ASP A 101 -7.428 9.786 -5.335 1.00 0.52 H new ATOM 0 HB3 ASP A 101 -7.105 8.426 -6.391 1.00 0.52 H new ATOM 1237 N ILE A 102 -6.730 6.114 -3.651 1.00 0.46 N ATOM 1238 CA ILE A 102 -6.653 4.661 -3.394 1.00 0.42 C ATOM 1239 C ILE A 102 -6.809 3.856 -4.692 1.00 0.46 C ATOM 1240 O ILE A 102 -6.618 2.637 -4.721 1.00 0.77 O ATOM 1241 CB ILE A 102 -7.733 4.239 -2.357 1.00 0.41 C ATOM 1242 CG1 ILE A 102 -7.616 2.753 -1.997 1.00 0.42 C ATOM 1243 CG2 ILE A 102 -9.131 4.548 -2.872 1.00 0.45 C ATOM 1244 CD1 ILE A 102 -6.324 2.397 -1.293 1.00 0.44 C ATOM 0 H ILE A 102 -7.479 6.571 -3.131 1.00 0.46 H new ATOM 0 HA ILE A 102 -5.667 4.443 -2.984 1.00 0.42 H new ATOM 0 HB ILE A 102 -7.559 4.820 -1.452 1.00 0.41 H new ATOM 0 HG12 ILE A 102 -8.455 2.476 -1.359 1.00 0.42 H new ATOM 0 HG13 ILE A 102 -7.698 2.160 -2.908 1.00 0.42 H new ATOM 0 HG21 ILE A 102 -9.868 4.244 -2.129 1.00 0.45 H new ATOM 0 HG22 ILE A 102 -9.222 5.618 -3.057 1.00 0.45 H new ATOM 0 HG23 ILE A 102 -9.305 4.004 -3.800 1.00 0.45 H new ATOM 0 HD11 ILE A 102 -6.313 1.330 -1.070 1.00 0.44 H new ATOM 0 HD12 ILE A 102 -5.479 2.642 -1.937 1.00 0.44 H new ATOM 0 HD13 ILE A 102 -6.248 2.962 -0.364 1.00 0.44 H new ATOM 1256 N SER A 103 -7.113 4.572 -5.763 1.00 0.42 N ATOM 1257 CA SER A 103 -7.290 3.989 -7.087 1.00 0.51 C ATOM 1258 C SER A 103 -6.012 3.283 -7.554 1.00 0.48 C ATOM 1259 O SER A 103 -6.067 2.263 -8.240 1.00 0.58 O ATOM 1260 CB SER A 103 -7.678 5.089 -8.082 1.00 0.66 C ATOM 1261 OG SER A 103 -7.933 4.563 -9.373 1.00 1.46 O ATOM 0 H SER A 103 -7.245 5.583 -5.739 1.00 0.42 H new ATOM 0 HA SER A 103 -8.085 3.245 -7.036 1.00 0.51 H new ATOM 0 HB2 SER A 103 -8.564 5.611 -7.720 1.00 0.66 H new ATOM 0 HB3 SER A 103 -6.876 5.825 -8.141 1.00 0.66 H new ATOM 0 HG SER A 103 -7.322 4.974 -10.020 1.00 1.46 H new ATOM 1267 N TRP A 104 -4.860 3.829 -7.171 1.00 0.38 N ATOM 1268 CA TRP A 104 -3.577 3.246 -7.546 1.00 0.36 C ATOM 1269 C TRP A 104 -3.388 1.874 -6.898 1.00 0.34 C ATOM 1270 O TRP A 104 -2.839 0.952 -7.504 1.00 0.35 O ATOM 1271 CB TRP A 104 -2.423 4.180 -7.140 1.00 0.34 C ATOM 1272 CG TRP A 104 -1.084 3.498 -7.128 1.00 0.32 C ATOM 1273 CD1 TRP A 104 -0.233 3.328 -8.182 1.00 0.34 C ATOM 1274 CD2 TRP A 104 -0.455 2.877 -5.999 1.00 0.31 C ATOM 1275 NE1 TRP A 104 0.883 2.635 -7.778 1.00 0.34 N ATOM 1276 CE2 TRP A 104 0.770 2.347 -6.442 1.00 0.32 C ATOM 1277 CE3 TRP A 104 -0.814 2.717 -4.657 1.00 0.30 C ATOM 1278 CZ2 TRP A 104 1.637 1.669 -5.588 1.00 0.33 C ATOM 1279 CZ3 TRP A 104 0.044 2.045 -3.812 1.00 0.31 C ATOM 1280 CH2 TRP A 104 1.257 1.526 -4.281 1.00 0.32 C ATOM 0 H TRP A 104 -4.790 4.673 -6.602 1.00 0.38 H new ATOM 0 HA TRP A 104 -3.570 3.121 -8.629 1.00 0.36 H new ATOM 0 HB2 TRP A 104 -2.387 5.023 -7.829 1.00 0.34 H new ATOM 0 HB3 TRP A 104 -2.625 4.587 -6.149 1.00 0.34 H new ATOM 0 HD1 TRP A 104 -0.411 3.685 -9.186 1.00 0.34 H new ATOM 0 HE1 TRP A 104 1.668 2.377 -8.375 1.00 0.34 H new ATOM 0 HE3 TRP A 104 -1.748 3.113 -4.288 1.00 0.30 H new ATOM 0 HZ2 TRP A 104 2.575 1.271 -5.945 1.00 0.33 H new ATOM 0 HZ3 TRP A 104 -0.224 1.917 -2.773 1.00 0.31 H new ATOM 0 HH2 TRP A 104 1.907 1.001 -3.596 1.00 0.32 H new ATOM 1291 N LEU A 105 -3.892 1.738 -5.687 1.00 0.34 N ATOM 1292 CA LEU A 105 -3.603 0.557 -4.890 1.00 0.32 C ATOM 1293 C LEU A 105 -4.511 -0.586 -5.284 1.00 0.31 C ATOM 1294 O LEU A 105 -4.066 -1.724 -5.409 1.00 0.34 O ATOM 1295 CB LEU A 105 -3.722 0.842 -3.398 1.00 0.33 C ATOM 1296 CG LEU A 105 -3.201 -0.278 -2.496 1.00 0.32 C ATOM 1297 CD1 LEU A 105 -1.774 -0.649 -2.872 1.00 0.34 C ATOM 1298 CD2 LEU A 105 -3.271 0.155 -1.047 1.00 0.35 C ATOM 0 H LEU A 105 -4.498 2.422 -5.235 1.00 0.34 H new ATOM 0 HA LEU A 105 -2.571 0.271 -5.091 1.00 0.32 H new ATOM 0 HB2 LEU A 105 -3.176 1.758 -3.171 1.00 0.33 H new ATOM 0 HB3 LEU A 105 -4.769 1.027 -3.158 1.00 0.33 H new ATOM 0 HG LEU A 105 -3.828 -1.159 -2.633 1.00 0.32 H new ATOM 0 HD11 LEU A 105 -1.421 -1.447 -2.219 1.00 0.34 H new ATOM 0 HD12 LEU A 105 -1.747 -0.989 -3.907 1.00 0.34 H new ATOM 0 HD13 LEU A 105 -1.130 0.223 -2.759 1.00 0.34 H new ATOM 0 HD21 LEU A 105 -2.899 -0.647 -0.409 1.00 0.35 H new ATOM 0 HD22 LEU A 105 -2.660 1.046 -0.904 1.00 0.35 H new ATOM 0 HD23 LEU A 105 -4.305 0.378 -0.783 1.00 0.35 H new ATOM 1310 N THR A 106 -5.782 -0.279 -5.489 1.00 0.35 N ATOM 1311 CA THR A 106 -6.744 -1.279 -5.911 1.00 0.37 C ATOM 1312 C THR A 106 -6.316 -1.923 -7.229 1.00 0.36 C ATOM 1313 O THR A 106 -6.348 -3.147 -7.372 1.00 0.47 O ATOM 1314 CB THR A 106 -8.150 -0.665 -6.044 1.00 0.47 C ATOM 1315 OG1 THR A 106 -8.079 0.569 -6.769 1.00 0.50 O ATOM 1316 CG2 THR A 106 -8.756 -0.415 -4.670 1.00 0.59 C ATOM 0 H THR A 106 -6.170 0.657 -5.369 1.00 0.35 H new ATOM 0 HA THR A 106 -6.779 -2.054 -5.146 1.00 0.37 H new ATOM 0 HB THR A 106 -8.783 -1.368 -6.586 1.00 0.47 H new ATOM 0 HG1 THR A 106 -8.977 0.953 -6.851 1.00 0.50 H new ATOM 0 HG21 THR A 106 -9.749 0.019 -4.784 1.00 0.59 H new ATOM 0 HG22 THR A 106 -8.832 -1.358 -4.129 1.00 0.59 H new ATOM 0 HG23 THR A 106 -8.121 0.273 -4.112 1.00 0.59 H new ATOM 1324 N GLU A 107 -5.897 -1.097 -8.181 1.00 0.38 N ATOM 1325 CA GLU A 107 -5.394 -1.590 -9.455 1.00 0.39 C ATOM 1326 C GLU A 107 -4.112 -2.404 -9.280 1.00 0.33 C ATOM 1327 O GLU A 107 -3.976 -3.484 -9.854 1.00 0.43 O ATOM 1328 CB GLU A 107 -5.162 -0.424 -10.404 1.00 0.46 C ATOM 1329 CG GLU A 107 -6.450 0.282 -10.764 1.00 0.53 C ATOM 1330 CD GLU A 107 -7.383 -0.581 -11.582 1.00 0.83 C ATOM 1331 OE1 GLU A 107 -8.122 -1.392 -10.987 1.00 1.51 O ATOM 1332 OE2 GLU A 107 -7.383 -0.457 -12.827 1.00 0.95 O ATOM 0 H GLU A 107 -5.896 -0.081 -8.093 1.00 0.38 H new ATOM 0 HA GLU A 107 -6.145 -2.256 -9.880 1.00 0.39 H new ATOM 0 HB2 GLU A 107 -4.476 0.287 -9.943 1.00 0.46 H new ATOM 0 HB3 GLU A 107 -4.682 -0.787 -11.313 1.00 0.46 H new ATOM 0 HG2 GLU A 107 -6.957 0.592 -9.850 1.00 0.53 H new ATOM 0 HG3 GLU A 107 -6.218 1.189 -11.323 1.00 0.53 H new ATOM 1339 N SER A 108 -3.166 -1.872 -8.504 1.00 0.35 N ATOM 1340 CA SER A 108 -1.939 -2.605 -8.182 1.00 0.36 C ATOM 1341 C SER A 108 -2.258 -3.980 -7.589 1.00 0.38 C ATOM 1342 O SER A 108 -1.602 -4.968 -7.915 1.00 0.46 O ATOM 1343 CB SER A 108 -1.050 -1.798 -7.225 1.00 0.45 C ATOM 1344 OG SER A 108 -0.663 -0.567 -7.810 1.00 0.88 O ATOM 0 H SER A 108 -3.224 -0.942 -8.089 1.00 0.35 H new ATOM 0 HA SER A 108 -1.390 -2.755 -9.112 1.00 0.36 H new ATOM 0 HB2 SER A 108 -1.587 -1.610 -6.295 1.00 0.45 H new ATOM 0 HB3 SER A 108 -0.163 -2.378 -6.970 1.00 0.45 H new ATOM 0 HG SER A 108 -1.312 0.127 -7.571 1.00 0.88 H new ATOM 1350 N LEU A 109 -3.270 -4.043 -6.727 1.00 0.36 N ATOM 1351 CA LEU A 109 -3.728 -5.319 -6.177 1.00 0.43 C ATOM 1352 C LEU A 109 -4.265 -6.228 -7.279 1.00 0.52 C ATOM 1353 O LEU A 109 -3.944 -7.415 -7.327 1.00 0.75 O ATOM 1354 CB LEU A 109 -4.808 -5.107 -5.121 1.00 0.40 C ATOM 1355 CG LEU A 109 -4.355 -4.355 -3.874 1.00 0.47 C ATOM 1356 CD1 LEU A 109 -5.312 -4.613 -2.732 1.00 0.71 C ATOM 1357 CD2 LEU A 109 -2.947 -4.762 -3.485 1.00 0.86 C ATOM 0 H LEU A 109 -3.788 -3.229 -6.394 1.00 0.36 H new ATOM 0 HA LEU A 109 -2.868 -5.798 -5.710 1.00 0.43 H new ATOM 0 HB2 LEU A 109 -5.636 -4.562 -5.575 1.00 0.40 H new ATOM 0 HB3 LEU A 109 -5.195 -6.080 -4.819 1.00 0.40 H new ATOM 0 HG LEU A 109 -4.353 -3.288 -4.096 1.00 0.47 H new ATOM 0 HD11 LEU A 109 -4.978 -4.071 -1.848 1.00 0.71 H new ATOM 0 HD12 LEU A 109 -6.310 -4.274 -3.010 1.00 0.71 H new ATOM 0 HD13 LEU A 109 -5.339 -5.681 -2.514 1.00 0.71 H new ATOM 0 HD21 LEU A 109 -2.643 -4.214 -2.593 1.00 0.86 H new ATOM 0 HD22 LEU A 109 -2.921 -5.832 -3.280 1.00 0.86 H new ATOM 0 HD23 LEU A 109 -2.263 -4.533 -4.302 1.00 0.86 H new ATOM 1369 N GLY A 110 -5.085 -5.656 -8.153 1.00 0.48 N ATOM 1370 CA GLY A 110 -5.641 -6.405 -9.262 1.00 0.62 C ATOM 1371 C GLY A 110 -4.565 -7.001 -10.149 1.00 0.67 C ATOM 1372 O GLY A 110 -4.577 -8.200 -10.432 1.00 0.96 O ATOM 0 H GLY A 110 -5.376 -4.679 -8.112 1.00 0.48 H new ATOM 0 HA2 GLY A 110 -6.275 -7.204 -8.877 1.00 0.62 H new ATOM 0 HA3 GLY A 110 -6.278 -5.751 -9.857 1.00 0.62 H new ATOM 1376 N ALA A 111 -3.623 -6.167 -10.570 1.00 0.47 N ATOM 1377 CA ALA A 111 -2.543 -6.604 -11.447 1.00 0.53 C ATOM 1378 C ALA A 111 -1.546 -7.495 -10.710 1.00 0.59 C ATOM 1379 O ALA A 111 -0.858 -8.313 -11.320 1.00 0.71 O ATOM 1380 CB ALA A 111 -1.830 -5.401 -12.047 1.00 0.48 C ATOM 0 H ALA A 111 -3.585 -5.180 -10.317 1.00 0.47 H new ATOM 0 HA ALA A 111 -2.986 -7.193 -12.250 1.00 0.53 H new ATOM 0 HB1 ALA A 111 -1.026 -5.742 -12.699 1.00 0.48 H new ATOM 0 HB2 ALA A 111 -2.539 -4.808 -12.625 1.00 0.48 H new ATOM 0 HB3 ALA A 111 -1.413 -4.789 -11.247 1.00 0.48 H new ATOM 1386 N GLY A 112 -1.473 -7.331 -9.396 1.00 0.53 N ATOM 1387 CA GLY A 112 -0.573 -8.135 -8.592 1.00 0.60 C ATOM 1388 C GLY A 112 0.826 -7.561 -8.557 1.00 0.58 C ATOM 1389 O GLY A 112 1.773 -8.227 -8.137 1.00 0.66 O ATOM 0 H GLY A 112 -2.024 -6.652 -8.870 1.00 0.53 H new ATOM 0 HA2 GLY A 112 -0.961 -8.206 -7.576 1.00 0.60 H new ATOM 0 HA3 GLY A 112 -0.539 -9.149 -8.991 1.00 0.60 H new ATOM 1393 N GLN A 113 0.950 -6.316 -8.995 1.00 0.52 N ATOM 1394 CA GLN A 113 2.235 -5.643 -9.066 1.00 0.54 C ATOM 1395 C GLN A 113 2.042 -4.147 -8.863 1.00 0.50 C ATOM 1396 O GLN A 113 0.972 -3.615 -9.165 1.00 0.48 O ATOM 1397 CB GLN A 113 2.898 -5.889 -10.425 1.00 0.60 C ATOM 1398 CG GLN A 113 2.150 -5.264 -11.593 1.00 0.61 C ATOM 1399 CD GLN A 113 2.905 -5.383 -12.902 1.00 0.81 C ATOM 1400 OE1 GLN A 113 2.739 -6.351 -13.641 1.00 1.45 O ATOM 1401 NE2 GLN A 113 3.744 -4.399 -13.192 1.00 0.87 N ATOM 0 H GLN A 113 0.164 -5.747 -9.310 1.00 0.52 H new ATOM 0 HA GLN A 113 2.879 -6.042 -8.282 1.00 0.54 H new ATOM 0 HB2 GLN A 113 3.913 -5.492 -10.401 1.00 0.60 H new ATOM 0 HB3 GLN A 113 2.979 -6.963 -10.590 1.00 0.60 H new ATOM 0 HG2 GLN A 113 1.177 -5.744 -11.695 1.00 0.61 H new ATOM 0 HG3 GLN A 113 1.965 -4.211 -11.379 1.00 0.61 H new ATOM 0 HE21 GLN A 113 3.851 -3.614 -12.550 1.00 0.87 H new ATOM 0 HE22 GLN A 113 4.283 -4.427 -14.058 1.00 0.87 H new ATOM 1410 N PRO A 114 3.059 -3.451 -8.333 1.00 0.53 N ATOM 1411 CA PRO A 114 3.013 -1.998 -8.180 1.00 0.52 C ATOM 1412 C PRO A 114 3.042 -1.301 -9.533 1.00 0.54 C ATOM 1413 O PRO A 114 4.091 -1.207 -10.175 1.00 0.62 O ATOM 1414 CB PRO A 114 4.274 -1.677 -7.374 1.00 0.57 C ATOM 1415 CG PRO A 114 5.197 -2.819 -7.626 1.00 0.68 C ATOM 1416 CD PRO A 114 4.324 -4.025 -7.838 1.00 0.60 C ATOM 0 HA PRO A 114 2.100 -1.657 -7.692 1.00 0.52 H new ATOM 0 HB2 PRO A 114 4.717 -0.734 -7.694 1.00 0.57 H new ATOM 0 HB3 PRO A 114 4.049 -1.579 -6.312 1.00 0.57 H new ATOM 0 HG2 PRO A 114 5.820 -2.631 -8.501 1.00 0.68 H new ATOM 0 HG3 PRO A 114 5.870 -2.969 -6.782 1.00 0.68 H new ATOM 0 HD2 PRO A 114 4.761 -4.715 -8.560 1.00 0.60 H new ATOM 0 HD3 PRO A 114 4.177 -4.582 -6.913 1.00 0.60 H new ATOM 1424 N VAL A 115 1.887 -0.832 -9.971 1.00 0.51 N ATOM 1425 CA VAL A 115 1.766 -0.225 -11.286 1.00 0.53 C ATOM 1426 C VAL A 115 2.333 1.192 -11.304 1.00 0.49 C ATOM 1427 O VAL A 115 2.194 1.944 -10.335 1.00 0.45 O ATOM 1428 CB VAL A 115 0.298 -0.198 -11.772 1.00 0.54 C ATOM 1429 CG1 VAL A 115 -0.240 -1.610 -11.927 1.00 0.65 C ATOM 1430 CG2 VAL A 115 -0.582 0.605 -10.825 1.00 0.47 C ATOM 0 H VAL A 115 1.019 -0.859 -9.436 1.00 0.51 H new ATOM 0 HA VAL A 115 2.348 -0.846 -11.967 1.00 0.53 H new ATOM 0 HB VAL A 115 0.278 0.291 -12.746 1.00 0.54 H new ATOM 0 HG11 VAL A 115 -1.274 -1.570 -12.270 1.00 0.65 H new ATOM 0 HG12 VAL A 115 0.363 -2.151 -12.656 1.00 0.65 H new ATOM 0 HG13 VAL A 115 -0.196 -2.124 -10.967 1.00 0.65 H new ATOM 0 HG21 VAL A 115 -1.608 0.605 -11.194 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.553 0.155 -9.832 1.00 0.47 H new ATOM 0 HG23 VAL A 115 -0.216 1.630 -10.770 1.00 0.47 H new ATOM 1440 N PRO A 116 3.013 1.554 -12.404 1.00 0.56 N ATOM 1441 CA PRO A 116 3.476 2.921 -12.627 1.00 0.58 C ATOM 1442 C PRO A 116 2.295 3.875 -12.750 1.00 0.48 C ATOM 1443 O PRO A 116 1.599 3.895 -13.768 1.00 0.55 O ATOM 1444 CB PRO A 116 4.257 2.841 -13.943 1.00 0.72 C ATOM 1445 CG PRO A 116 3.784 1.593 -14.608 1.00 0.85 C ATOM 1446 CD PRO A 116 3.386 0.652 -13.508 1.00 0.69 C ATOM 0 HA PRO A 116 4.084 3.299 -11.805 1.00 0.58 H new ATOM 0 HB2 PRO A 116 4.067 3.715 -14.566 1.00 0.72 H new ATOM 0 HB3 PRO A 116 5.331 2.807 -13.761 1.00 0.72 H new ATOM 0 HG2 PRO A 116 2.940 1.800 -15.267 1.00 0.85 H new ATOM 0 HG3 PRO A 116 4.571 1.159 -15.225 1.00 0.85 H new ATOM 0 HD2 PRO A 116 2.553 0.016 -13.806 1.00 0.69 H new ATOM 0 HD3 PRO A 116 4.207 -0.008 -13.228 1.00 0.69 H new ATOM 1454 N VAL A 117 2.070 4.651 -11.701 1.00 0.46 N ATOM 1455 CA VAL A 117 0.878 5.478 -11.597 1.00 0.44 C ATOM 1456 C VAL A 117 0.810 6.543 -12.691 1.00 0.49 C ATOM 1457 O VAL A 117 1.668 7.422 -12.790 1.00 0.61 O ATOM 1458 CB VAL A 117 0.770 6.143 -10.204 1.00 0.58 C ATOM 1459 CG1 VAL A 117 2.036 6.913 -9.854 1.00 0.99 C ATOM 1460 CG2 VAL A 117 -0.448 7.049 -10.142 1.00 1.25 C ATOM 0 H VAL A 117 2.702 4.725 -10.904 1.00 0.46 H new ATOM 0 HA VAL A 117 0.030 4.807 -11.733 1.00 0.44 H new ATOM 0 HB VAL A 117 0.653 5.352 -9.463 1.00 0.58 H new ATOM 0 HG11 VAL A 117 1.925 7.367 -8.869 1.00 0.99 H new ATOM 0 HG12 VAL A 117 2.886 6.231 -9.845 1.00 0.99 H new ATOM 0 HG13 VAL A 117 2.204 7.693 -10.596 1.00 0.99 H new ATOM 0 HG21 VAL A 117 -0.509 7.509 -9.156 1.00 1.25 H new ATOM 0 HG22 VAL A 117 -0.362 7.827 -10.901 1.00 1.25 H new ATOM 0 HG23 VAL A 117 -1.348 6.462 -10.325 1.00 1.25 H new ATOM 1470 N GLU A 118 -0.214 6.437 -13.524 1.00 0.57 N ATOM 1471 CA GLU A 118 -0.511 7.455 -14.517 1.00 0.70 C ATOM 1472 C GLU A 118 -1.070 8.690 -13.820 1.00 0.71 C ATOM 1473 O GLU A 118 -1.671 8.578 -12.749 1.00 0.66 O ATOM 1474 CB GLU A 118 -1.541 6.926 -15.519 1.00 0.84 C ATOM 1475 CG GLU A 118 -1.156 5.603 -16.159 1.00 1.34 C ATOM 1476 CD GLU A 118 -2.234 5.067 -17.079 1.00 1.95 C ATOM 1477 OE1 GLU A 118 -3.145 4.363 -16.592 1.00 2.63 O ATOM 1478 OE2 GLU A 118 -2.174 5.344 -18.293 1.00 2.31 O ATOM 0 H GLU A 118 -0.859 5.647 -13.530 1.00 0.57 H new ATOM 0 HA GLU A 118 0.404 7.714 -15.050 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -2.499 6.808 -15.012 1.00 0.84 H new ATOM 0 HB3 GLU A 118 -1.685 7.669 -16.303 1.00 0.84 H new ATOM 0 HG2 GLU A 118 -0.232 5.731 -16.723 1.00 1.34 H new ATOM 0 HG3 GLU A 118 -0.953 4.871 -15.378 1.00 1.34 H new ATOM 1485 N CYS A 119 -0.892 9.857 -14.434 1.00 0.84 N ATOM 1486 CA CYS A 119 -1.404 11.110 -13.881 1.00 0.88 C ATOM 1487 C CYS A 119 -2.915 11.035 -13.635 1.00 0.79 C ATOM 1488 O CYS A 119 -3.457 11.773 -12.811 1.00 0.76 O ATOM 1489 CB CYS A 119 -1.090 12.264 -14.828 1.00 1.11 C ATOM 1490 SG CYS A 119 0.673 12.524 -15.120 1.00 2.07 S ATOM 0 H CYS A 119 -0.395 9.962 -15.319 1.00 0.84 H new ATOM 0 HA CYS A 119 -0.913 11.281 -12.923 1.00 0.88 H new ATOM 0 HB2 CYS A 119 -1.582 12.079 -15.783 1.00 1.11 H new ATOM 0 HB3 CYS A 119 -1.518 13.180 -14.421 1.00 1.11 H new ATOM 0 HG CYS A 119 0.835 13.522 -15.937 1.00 2.07 H new ATOM 1496 N ARG A 120 -3.581 10.124 -14.339 1.00 0.82 N ATOM 1497 CA ARG A 120 -5.015 9.908 -14.177 1.00 0.82 C ATOM 1498 C ARG A 120 -5.340 9.418 -12.762 1.00 0.68 C ATOM 1499 O ARG A 120 -6.420 9.677 -12.239 1.00 0.77 O ATOM 1500 CB ARG A 120 -5.512 8.885 -15.201 1.00 0.98 C ATOM 1501 CG ARG A 120 -5.241 9.272 -16.648 1.00 1.58 C ATOM 1502 CD ARG A 120 -5.986 10.536 -17.045 1.00 2.22 C ATOM 1503 NE ARG A 120 -7.437 10.364 -16.987 1.00 2.86 N ATOM 1504 CZ ARG A 120 -8.313 11.231 -17.492 1.00 3.77 C ATOM 1505 NH1 ARG A 120 -7.890 12.314 -18.138 1.00 4.23 N ATOM 1506 NH2 ARG A 120 -9.616 11.009 -17.356 1.00 4.59 N ATOM 0 H ARG A 120 -3.145 9.518 -15.034 1.00 0.82 H new ATOM 0 HA ARG A 120 -5.520 10.860 -14.339 1.00 0.82 H new ATOM 0 HB2 ARG A 120 -5.038 7.924 -14.998 1.00 0.98 H new ATOM 0 HB3 ARG A 120 -6.585 8.746 -15.068 1.00 0.98 H new ATOM 0 HG2 ARG A 120 -4.171 9.422 -16.790 1.00 1.58 H new ATOM 0 HG3 ARG A 120 -5.538 8.454 -17.304 1.00 1.58 H new ATOM 0 HD2 ARG A 120 -5.692 11.352 -16.384 1.00 2.22 H new ATOM 0 HD3 ARG A 120 -5.696 10.824 -18.055 1.00 2.22 H new ATOM 0 HE ARG A 120 -7.801 9.527 -16.531 1.00 2.86 H new ATOM 0 HH11 ARG A 120 -6.890 12.484 -18.249 1.00 4.23 H new ATOM 0 HH12 ARG A 120 -8.565 12.975 -18.523 1.00 4.23 H new ATOM 0 HH21 ARG A 120 -9.943 10.176 -16.866 1.00 4.59 H new ATOM 0 HH22 ARG A 120 -10.289 11.671 -17.742 1.00 4.59 H new ATOM 1520 N HIS A 121 -4.395 8.705 -12.152 1.00 0.57 N ATOM 1521 CA HIS A 121 -4.582 8.184 -10.799 1.00 0.56 C ATOM 1522 C HIS A 121 -3.704 8.961 -9.830 1.00 0.50 C ATOM 1523 O HIS A 121 -3.626 8.651 -8.647 1.00 0.63 O ATOM 1524 CB HIS A 121 -4.243 6.687 -10.732 1.00 0.66 C ATOM 1525 CG HIS A 121 -5.007 5.841 -11.708 1.00 0.72 C ATOM 1526 ND1 HIS A 121 -6.217 5.250 -11.420 1.00 1.34 N ATOM 1527 CD2 HIS A 121 -4.718 5.494 -12.983 1.00 1.33 C ATOM 1528 CE1 HIS A 121 -6.638 4.578 -12.474 1.00 1.34 C ATOM 1529 NE2 HIS A 121 -5.747 4.710 -13.437 1.00 1.22 N ATOM 0 H HIS A 121 -3.494 8.475 -12.572 1.00 0.57 H new ATOM 0 HA HIS A 121 -5.629 8.305 -10.522 1.00 0.56 H new ATOM 0 HB2 HIS A 121 -3.176 6.559 -10.914 1.00 0.66 H new ATOM 0 HB3 HIS A 121 -4.440 6.326 -9.723 1.00 0.66 H new ATOM 0 HD2 HIS A 121 -3.839 5.781 -13.541 1.00 1.33 H new ATOM 0 HE1 HIS A 121 -7.557 4.015 -12.538 1.00 1.34 H new ATOM 0 HE2 HIS A 121 -5.813 4.297 -14.367 1.00 1.22 H new ATOM 1538 N ARG A 122 -3.055 9.984 -10.366 1.00 0.49 N ATOM 1539 CA ARG A 122 -2.166 10.871 -9.616 1.00 0.50 C ATOM 1540 C ARG A 122 -2.972 12.055 -9.083 1.00 0.62 C ATOM 1541 O ARG A 122 -2.467 13.169 -8.962 1.00 1.05 O ATOM 1542 CB ARG A 122 -1.041 11.354 -10.538 1.00 0.64 C ATOM 1543 CG ARG A 122 0.102 12.061 -9.835 1.00 0.75 C ATOM 1544 CD ARG A 122 0.996 11.090 -9.090 1.00 0.95 C ATOM 1545 NE ARG A 122 2.082 11.787 -8.414 1.00 1.67 N ATOM 1546 CZ ARG A 122 3.144 11.184 -7.882 1.00 2.32 C ATOM 1547 NH1 ARG A 122 3.328 9.879 -8.048 1.00 2.38 N ATOM 1548 NH2 ARG A 122 4.041 11.891 -7.208 1.00 3.30 N ATOM 0 H ARG A 122 -3.130 10.229 -11.353 1.00 0.49 H new ATOM 0 HA ARG A 122 -1.724 10.339 -8.773 1.00 0.50 H new ATOM 0 HB2 ARG A 122 -0.641 10.496 -11.079 1.00 0.64 H new ATOM 0 HB3 ARG A 122 -1.465 12.030 -11.281 1.00 0.64 H new ATOM 0 HG2 ARG A 122 0.694 12.610 -10.567 1.00 0.75 H new ATOM 0 HG3 ARG A 122 -0.300 12.794 -9.135 1.00 0.75 H new ATOM 0 HD2 ARG A 122 0.406 10.535 -8.360 1.00 0.95 H new ATOM 0 HD3 ARG A 122 1.407 10.361 -9.788 1.00 0.95 H new ATOM 0 HE ARG A 122 2.026 12.803 -8.343 1.00 1.67 H new ATOM 0 HH11 ARG A 122 2.654 9.333 -8.585 1.00 2.38 H new ATOM 0 HH12 ARG A 122 4.143 9.423 -7.638 1.00 2.38 H new ATOM 0 HH21 ARG A 122 3.918 12.897 -7.097 1.00 3.30 H new ATOM 0 HH22 ARG A 122 4.854 11.428 -6.801 1.00 3.30 H new ATOM 1562 N LEU A 123 -4.246 11.782 -8.836 1.00 0.57 N ATOM 1563 CA LEU A 123 -5.262 12.766 -8.512 1.00 0.82 C ATOM 1564 C LEU A 123 -4.886 13.691 -7.349 1.00 0.73 C ATOM 1565 O LEU A 123 -5.263 13.462 -6.198 1.00 1.31 O ATOM 1566 CB LEU A 123 -6.550 12.011 -8.204 1.00 1.23 C ATOM 1567 CG LEU A 123 -7.763 12.873 -7.900 1.00 0.98 C ATOM 1568 CD1 LEU A 123 -8.077 13.789 -9.070 1.00 1.12 C ATOM 1569 CD2 LEU A 123 -8.956 11.991 -7.578 1.00 1.47 C ATOM 0 H LEU A 123 -4.611 10.830 -8.858 1.00 0.57 H new ATOM 0 HA LEU A 123 -5.379 13.429 -9.369 1.00 0.82 H new ATOM 0 HB2 LEU A 123 -6.786 11.371 -9.054 1.00 1.23 H new ATOM 0 HB3 LEU A 123 -6.370 11.356 -7.352 1.00 1.23 H new ATOM 0 HG LEU A 123 -7.541 13.496 -7.034 1.00 0.98 H new ATOM 0 HD11 LEU A 123 -8.949 14.398 -8.832 1.00 1.12 H new ATOM 0 HD12 LEU A 123 -7.223 14.438 -9.263 1.00 1.12 H new ATOM 0 HD13 LEU A 123 -8.284 13.189 -9.956 1.00 1.12 H new ATOM 0 HD21 LEU A 123 -9.822 12.616 -7.361 1.00 1.47 H new ATOM 0 HD22 LEU A 123 -9.176 11.350 -8.432 1.00 1.47 H new ATOM 0 HD23 LEU A 123 -8.728 11.373 -6.710 1.00 1.47 H new ATOM 1581 N GLU A 124 -4.130 14.721 -7.676 1.00 0.59 N ATOM 1582 CA GLU A 124 -3.868 15.830 -6.779 1.00 0.63 C ATOM 1583 C GLU A 124 -3.799 17.114 -7.595 1.00 0.79 C ATOM 1584 O GLU A 124 -3.949 18.210 -7.025 1.00 1.47 O ATOM 1585 CB GLU A 124 -2.582 15.591 -5.974 1.00 0.93 C ATOM 1586 CG GLU A 124 -1.318 15.368 -6.804 1.00 1.70 C ATOM 1587 CD GLU A 124 -0.593 16.653 -7.166 1.00 2.39 C ATOM 1588 OE1 GLU A 124 -0.315 17.463 -6.257 1.00 2.69 O ATOM 1589 OE2 GLU A 124 -0.310 16.868 -8.362 1.00 3.01 O ATOM 1590 OXT GLU A 124 -3.647 17.011 -8.834 1.00 1.11 O ATOM 0 H GLU A 124 -3.674 14.812 -8.584 1.00 0.59 H new ATOM 0 HA GLU A 124 -4.676 15.919 -6.053 1.00 0.63 H new ATOM 0 HB2 GLU A 124 -2.419 16.447 -5.319 1.00 0.93 H new ATOM 0 HB3 GLU A 124 -2.732 14.723 -5.332 1.00 0.93 H new ATOM 0 HG2 GLU A 124 -0.638 14.721 -6.249 1.00 1.70 H new ATOM 0 HG3 GLU A 124 -1.583 14.840 -7.720 1.00 1.70 H new