USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 402 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 108 MET CE :methyl 137:sc= -0.735 (180deg=-2.71!) USER MOD Single : A 111 LYS NZ :NH3+ 134:sc= 1.07 (180deg=0.358) USER MOD Single : A 113 SER OG : rot 99:sc= 1.27 USER MOD Single : A 117 SER OG : rot 82:sc= 1.16 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HE2:sc= -1.9 K(o=-1.9,f=-3.3!) USER MOD Single : A 122 MET CE :methyl 175:sc= -4.7! (180deg=-4.95!) USER MOD Single : A 123 GLN : amide:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 126 THR OG1 : rot 90:sc= 1.24 USER MOD Single : B 108 MET CE :methyl 138:sc= -0.649 (180deg=-2.54!) USER MOD Single : B 111 LYS NZ :NH3+ 134:sc= 0.996 (180deg=0.325) USER MOD Single : B 113 SER OG : rot 86:sc= 1.25 USER MOD Single : B 117 SER OG : rot 77:sc= 1.13 USER MOD Single : B 119 THR OG1 : rot 180:sc= 0 USER MOD Single : B 120 HIS : no HE2:sc= -1.93 K(o=-1.9,f=-3.1!) USER MOD Single : B 122 MET CE :methyl 179:sc= -4.77! (180deg=-4.8!) USER MOD Single : B 123 GLN : amide:sc= -0.47 X(o=-0.47,f=0) USER MOD Single : B 126 THR OG1 : rot 85:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 104 -12.991 2.575 0.603 1.00 2.70 N ATOM 88 CA LEU A 104 -12.621 2.292 1.987 1.00 2.55 C ATOM 89 C LEU A 104 -12.779 0.804 2.341 1.00 2.53 C ATOM 90 O LEU A 104 -11.818 0.176 2.792 1.00 2.25 O ATOM 91 CB LEU A 104 -13.444 3.164 2.946 1.00 2.85 C ATOM 92 CG LEU A 104 -13.195 2.912 4.435 1.00 2.83 C ATOM 93 CD1 LEU A 104 -11.744 3.186 4.789 1.00 2.46 C ATOM 94 CD2 LEU A 104 -14.125 3.765 5.282 1.00 3.18 C ATOM 0 HA LEU A 104 -11.564 2.536 2.097 1.00 2.55 H new ATOM 0 HB2 LEU A 104 -13.232 4.211 2.731 1.00 2.85 H new ATOM 0 HB3 LEU A 104 -14.502 3.004 2.739 1.00 2.85 H new ATOM 0 HG LEU A 104 -13.404 1.863 4.646 1.00 2.83 H new ATOM 0 HD11 LEU A 104 -11.588 3.001 5.852 1.00 2.46 H new ATOM 0 HD12 LEU A 104 -11.097 2.529 4.207 1.00 2.46 H new ATOM 0 HD13 LEU A 104 -11.504 4.225 4.562 1.00 2.46 H new ATOM 0 HD21 LEU A 104 -13.934 3.573 6.338 1.00 3.18 H new ATOM 0 HD22 LEU A 104 -13.949 4.819 5.067 1.00 3.18 H new ATOM 0 HD23 LEU A 104 -15.160 3.516 5.049 1.00 3.18 H new ATOM 106 N PRO A 105 -13.978 0.206 2.159 1.00 2.88 N ATOM 107 CA PRO A 105 -14.204 -1.205 2.494 1.00 2.95 C ATOM 108 C PRO A 105 -13.309 -2.137 1.683 1.00 2.65 C ATOM 109 O PRO A 105 -12.955 -3.225 2.133 1.00 2.62 O ATOM 110 CB PRO A 105 -15.679 -1.433 2.150 1.00 3.43 C ATOM 111 CG PRO A 105 -15.999 -0.350 1.180 1.00 3.51 C ATOM 112 CD PRO A 105 -15.205 0.833 1.641 1.00 3.28 C ATOM 0 HA PRO A 105 -13.968 -1.418 3.537 1.00 2.95 H new ATOM 0 HB2 PRO A 105 -15.838 -2.419 1.713 1.00 3.43 H new ATOM 0 HB3 PRO A 105 -16.309 -1.372 3.037 1.00 3.43 H new ATOM 0 HG2 PRO A 105 -15.726 -0.637 0.165 1.00 3.51 H new ATOM 0 HG3 PRO A 105 -17.067 -0.130 1.173 1.00 3.51 H new ATOM 0 HD2 PRO A 105 -14.995 1.524 0.825 1.00 3.28 H new ATOM 0 HD3 PRO A 105 -15.729 1.399 2.411 1.00 3.28 H new ATOM 120 N GLU A 106 -12.962 -1.716 0.478 1.00 2.53 N ATOM 121 CA GLU A 106 -12.028 -2.464 -0.340 1.00 2.35 C ATOM 122 C GLU A 106 -10.665 -2.539 0.342 1.00 1.89 C ATOM 123 O GLU A 106 -10.033 -3.594 0.388 1.00 1.84 O ATOM 124 CB GLU A 106 -11.876 -1.798 -1.702 1.00 2.43 C ATOM 125 CG GLU A 106 -13.158 -1.750 -2.513 1.00 2.88 C ATOM 126 CD GLU A 106 -13.818 -3.105 -2.657 1.00 3.32 C ATOM 127 OE1 GLU A 106 -13.311 -3.944 -3.429 1.00 3.62 O ATOM 128 OE2 GLU A 106 -14.859 -3.330 -2.008 1.00 3.70 O ATOM 0 H GLU A 106 -13.314 -0.861 0.047 1.00 2.53 H new ATOM 0 HA GLU A 106 -12.417 -3.474 -0.471 1.00 2.35 H new ATOM 0 HB2 GLU A 106 -11.511 -0.781 -1.559 1.00 2.43 H new ATOM 0 HB3 GLU A 106 -11.117 -2.332 -2.273 1.00 2.43 H new ATOM 0 HG2 GLU A 106 -13.856 -1.061 -2.038 1.00 2.88 H new ATOM 0 HG3 GLU A 106 -12.940 -1.351 -3.504 1.00 2.88 H new ATOM 135 N LEU A 107 -10.227 -1.403 0.874 1.00 1.63 N ATOM 136 CA LEU A 107 -8.934 -1.316 1.549 1.00 1.23 C ATOM 137 C LEU A 107 -8.894 -2.212 2.778 1.00 1.08 C ATOM 138 O LEU A 107 -7.932 -2.939 2.987 1.00 0.96 O ATOM 139 CB LEU A 107 -8.648 0.118 1.978 1.00 1.21 C ATOM 140 CG LEU A 107 -8.452 1.109 0.842 1.00 1.32 C ATOM 141 CD1 LEU A 107 -8.440 2.522 1.383 1.00 1.42 C ATOM 142 CD2 LEU A 107 -7.158 0.821 0.105 1.00 1.20 C ATOM 0 H LEU A 107 -10.749 -0.527 0.851 1.00 1.63 H new ATOM 0 HA LEU A 107 -8.175 -1.647 0.840 1.00 1.23 H new ATOM 0 HB2 LEU A 107 -9.472 0.464 2.602 1.00 1.21 H new ATOM 0 HB3 LEU A 107 -7.753 0.122 2.600 1.00 1.21 H new ATOM 0 HG LEU A 107 -9.281 1.005 0.142 1.00 1.32 H new ATOM 0 HD11 LEU A 107 -8.299 3.225 0.562 1.00 1.42 H new ATOM 0 HD12 LEU A 107 -9.388 2.730 1.880 1.00 1.42 H new ATOM 0 HD13 LEU A 107 -7.624 2.631 2.098 1.00 1.42 H new ATOM 0 HD21 LEU A 107 -7.033 1.539 -0.705 1.00 1.20 H new ATOM 0 HD22 LEU A 107 -6.319 0.904 0.796 1.00 1.20 H new ATOM 0 HD23 LEU A 107 -7.190 -0.188 -0.307 1.00 1.20 H new ATOM 154 N MET A 108 -9.953 -2.164 3.573 1.00 1.27 N ATOM 155 CA MET A 108 -10.020 -2.956 4.799 1.00 1.26 C ATOM 156 C MET A 108 -10.038 -4.453 4.497 1.00 1.17 C ATOM 157 O MET A 108 -9.469 -5.248 5.243 1.00 1.13 O ATOM 158 CB MET A 108 -11.239 -2.559 5.647 1.00 1.64 C ATOM 159 CG MET A 108 -12.586 -2.936 5.063 1.00 1.96 C ATOM 160 SD MET A 108 -13.962 -2.367 6.079 1.00 2.39 S ATOM 161 CE MET A 108 -13.680 -0.598 6.061 1.00 2.67 C ATOM 0 H MET A 108 -10.776 -1.588 3.395 1.00 1.27 H new ATOM 0 HA MET A 108 -9.119 -2.743 5.375 1.00 1.26 H new ATOM 0 HB2 MET A 108 -11.145 -3.023 6.629 1.00 1.64 H new ATOM 0 HB3 MET A 108 -11.218 -1.480 5.801 1.00 1.64 H new ATOM 0 HG2 MET A 108 -12.677 -2.511 4.063 1.00 1.96 H new ATOM 0 HG3 MET A 108 -12.642 -4.019 4.955 1.00 1.96 H new ATOM 0 HE1 MET A 108 -14.628 -0.080 5.917 1.00 2.67 H new ATOM 0 HE2 MET A 108 -13.239 -0.290 7.009 1.00 2.67 H new ATOM 0 HE3 MET A 108 -13.001 -0.346 5.246 1.00 2.67 H new ATOM 171 N ALA A 109 -10.670 -4.837 3.391 1.00 1.27 N ATOM 172 CA ALA A 109 -10.728 -6.244 3.015 1.00 1.30 C ATOM 173 C ALA A 109 -9.353 -6.755 2.586 1.00 0.99 C ATOM 174 O ALA A 109 -8.911 -7.813 3.034 1.00 1.01 O ATOM 175 CB ALA A 109 -11.764 -6.462 1.918 1.00 1.60 C ATOM 0 H ALA A 109 -11.143 -4.202 2.748 1.00 1.27 H new ATOM 0 HA ALA A 109 -11.034 -6.819 3.889 1.00 1.30 H new ATOM 0 HB1 ALA A 109 -11.793 -7.518 1.650 1.00 1.60 H new ATOM 0 HB2 ALA A 109 -12.745 -6.151 2.277 1.00 1.60 H new ATOM 0 HB3 ALA A 109 -11.495 -5.873 1.041 1.00 1.60 H new ATOM 181 N GLU A 110 -8.672 -5.988 1.740 1.00 0.80 N ATOM 182 CA GLU A 110 -7.317 -6.352 1.315 1.00 0.62 C ATOM 183 C GLU A 110 -6.370 -6.272 2.513 1.00 0.45 C ATOM 184 O GLU A 110 -5.482 -7.098 2.685 1.00 0.55 O ATOM 185 CB GLU A 110 -6.828 -5.437 0.191 1.00 0.56 C ATOM 186 CG GLU A 110 -7.594 -5.605 -1.110 1.00 0.60 C ATOM 187 CD GLU A 110 -7.017 -4.771 -2.237 1.00 0.83 C ATOM 188 OE1 GLU A 110 -7.637 -4.711 -3.320 1.00 1.49 O ATOM 189 OE2 GLU A 110 -5.944 -4.165 -2.047 1.00 1.48 O ATOM 0 H GLU A 110 -9.027 -5.121 1.337 1.00 0.80 H new ATOM 0 HA GLU A 110 -7.334 -7.372 0.931 1.00 0.62 H new ATOM 0 HB2 GLU A 110 -6.908 -4.400 0.518 1.00 0.56 H new ATOM 0 HB3 GLU A 110 -5.772 -5.633 0.008 1.00 0.56 H new ATOM 0 HG2 GLU A 110 -7.586 -6.656 -1.399 1.00 0.60 H new ATOM 0 HG3 GLU A 110 -8.636 -5.326 -0.953 1.00 0.60 H new ATOM 196 N LYS A 111 -6.614 -5.259 3.327 1.00 0.41 N ATOM 197 CA LYS A 111 -5.817 -5.061 4.541 1.00 0.46 C ATOM 198 C LYS A 111 -5.835 -6.307 5.426 1.00 0.47 C ATOM 199 O LYS A 111 -4.787 -6.821 5.809 1.00 0.52 O ATOM 200 CB LYS A 111 -6.331 -3.847 5.324 1.00 0.63 C ATOM 201 CG LYS A 111 -6.016 -3.882 6.812 1.00 0.79 C ATOM 202 CD LYS A 111 -6.472 -2.607 7.503 1.00 0.89 C ATOM 203 CE LYS A 111 -6.472 -2.752 9.016 1.00 1.15 C ATOM 204 NZ LYS A 111 -7.531 -3.681 9.489 1.00 1.89 N ATOM 0 H LYS A 111 -7.347 -4.565 3.179 1.00 0.41 H new ATOM 0 HA LYS A 111 -4.786 -4.877 4.238 1.00 0.46 H new ATOM 0 HB2 LYS A 111 -5.899 -2.943 4.894 1.00 0.63 H new ATOM 0 HB3 LYS A 111 -7.411 -3.777 5.195 1.00 0.63 H new ATOM 0 HG2 LYS A 111 -6.506 -4.741 7.270 1.00 0.79 H new ATOM 0 HG3 LYS A 111 -4.943 -4.013 6.956 1.00 0.79 H new ATOM 0 HD2 LYS A 111 -5.816 -1.785 7.217 1.00 0.89 H new ATOM 0 HD3 LYS A 111 -7.475 -2.348 7.163 1.00 0.89 H new ATOM 0 HE2 LYS A 111 -5.498 -3.115 9.345 1.00 1.15 H new ATOM 0 HE3 LYS A 111 -6.618 -1.773 9.473 1.00 1.15 H new ATOM 0 HZ1 LYS A 111 -7.131 -4.335 10.191 1.00 1.89 H new ATOM 0 HZ2 LYS A 111 -8.302 -3.136 9.924 1.00 1.89 H new ATOM 0 HZ3 LYS A 111 -7.902 -4.223 8.683 1.00 1.89 H new ATOM 218 N ASP A 112 -7.021 -6.803 5.727 1.00 0.49 N ATOM 219 CA ASP A 112 -7.154 -7.938 6.637 1.00 0.58 C ATOM 220 C ASP A 112 -6.862 -9.265 5.943 1.00 0.53 C ATOM 221 O ASP A 112 -6.791 -10.308 6.591 1.00 0.63 O ATOM 222 CB ASP A 112 -8.541 -7.963 7.272 1.00 0.72 C ATOM 223 CG ASP A 112 -8.639 -7.030 8.460 1.00 2.65 C ATOM 224 OD1 ASP A 112 -8.641 -5.799 8.262 1.00 3.03 O ATOM 225 OD2 ASP A 112 -8.701 -7.524 9.605 1.00 3.08 O ATOM 0 H ASP A 112 -7.903 -6.445 5.361 1.00 0.49 H new ATOM 0 HA ASP A 112 -6.410 -7.808 7.423 1.00 0.58 H new ATOM 0 HB2 ASP A 112 -9.285 -7.681 6.527 1.00 0.72 H new ATOM 0 HB3 ASP A 112 -8.776 -8.979 7.589 1.00 0.72 H new ATOM 230 N SER A 113 -6.694 -9.228 4.630 1.00 0.44 N ATOM 231 CA SER A 113 -6.404 -10.435 3.867 1.00 0.43 C ATOM 232 C SER A 113 -4.926 -10.501 3.479 1.00 0.35 C ATOM 233 O SER A 113 -4.432 -11.545 3.049 1.00 0.40 O ATOM 234 CB SER A 113 -7.275 -10.481 2.612 1.00 0.44 C ATOM 235 OG SER A 113 -8.655 -10.444 2.945 1.00 0.55 O ATOM 0 H SER A 113 -6.753 -8.377 4.070 1.00 0.44 H new ATOM 0 HA SER A 113 -6.629 -11.296 4.496 1.00 0.43 H new ATOM 0 HB2 SER A 113 -7.031 -9.638 1.965 1.00 0.44 H new ATOM 0 HB3 SER A 113 -7.058 -11.388 2.048 1.00 0.44 H new ATOM 0 HG SER A 113 -8.992 -9.530 2.840 1.00 0.55 H new ATOM 241 N LEU A 114 -4.232 -9.384 3.633 1.00 0.27 N ATOM 242 CA LEU A 114 -2.833 -9.285 3.247 1.00 0.23 C ATOM 243 C LEU A 114 -1.947 -9.891 4.332 1.00 0.27 C ATOM 244 O LEU A 114 -2.245 -9.774 5.523 1.00 0.31 O ATOM 245 CB LEU A 114 -2.471 -7.814 3.024 1.00 0.17 C ATOM 246 CG LEU A 114 -1.263 -7.550 2.120 1.00 0.14 C ATOM 247 CD1 LEU A 114 -1.630 -7.740 0.654 1.00 0.14 C ATOM 248 CD2 LEU A 114 -0.735 -6.152 2.346 1.00 0.16 C ATOM 0 H LEU A 114 -4.619 -8.526 4.026 1.00 0.27 H new ATOM 0 HA LEU A 114 -2.672 -9.837 2.321 1.00 0.23 H new ATOM 0 HB2 LEU A 114 -3.337 -7.308 2.597 1.00 0.17 H new ATOM 0 HB3 LEU A 114 -2.281 -7.356 3.995 1.00 0.17 H new ATOM 0 HG LEU A 114 -0.484 -8.269 2.375 1.00 0.14 H new ATOM 0 HD11 LEU A 114 -0.756 -7.547 0.032 1.00 0.14 H new ATOM 0 HD12 LEU A 114 -1.970 -8.763 0.494 1.00 0.14 H new ATOM 0 HD13 LEU A 114 -2.427 -7.046 0.385 1.00 0.14 H new ATOM 0 HD21 LEU A 114 0.123 -5.978 1.697 1.00 0.16 H new ATOM 0 HD22 LEU A 114 -1.516 -5.427 2.117 1.00 0.16 H new ATOM 0 HD23 LEU A 114 -0.431 -6.042 3.387 1.00 0.16 H new ATOM 260 N ASP A 115 -0.873 -10.549 3.918 1.00 0.29 N ATOM 261 CA ASP A 115 0.037 -11.201 4.856 1.00 0.34 C ATOM 262 C ASP A 115 0.921 -10.163 5.542 1.00 0.33 C ATOM 263 O ASP A 115 1.483 -9.285 4.885 1.00 0.29 O ATOM 264 CB ASP A 115 0.905 -12.233 4.123 1.00 0.37 C ATOM 265 CG ASP A 115 1.657 -13.152 5.071 1.00 0.49 C ATOM 266 OD1 ASP A 115 2.610 -12.691 5.731 1.00 1.23 O ATOM 267 OD2 ASP A 115 1.306 -14.349 5.154 1.00 1.21 O ATOM 0 H ASP A 115 -0.608 -10.647 2.938 1.00 0.29 H new ATOM 0 HA ASP A 115 -0.553 -11.715 5.615 1.00 0.34 H new ATOM 0 HB2 ASP A 115 0.273 -12.833 3.468 1.00 0.37 H new ATOM 0 HB3 ASP A 115 1.620 -11.712 3.486 1.00 0.37 H new ATOM 272 N PRO A 116 1.062 -10.262 6.878 1.00 0.41 N ATOM 273 CA PRO A 116 1.823 -9.302 7.696 1.00 0.46 C ATOM 274 C PRO A 116 3.296 -9.204 7.308 1.00 0.42 C ATOM 275 O PRO A 116 3.979 -8.255 7.699 1.00 0.47 O ATOM 276 CB PRO A 116 1.684 -9.851 9.121 1.00 0.55 C ATOM 277 CG PRO A 116 1.348 -11.286 8.936 1.00 0.55 C ATOM 278 CD PRO A 116 0.481 -11.328 7.715 1.00 0.50 C ATOM 0 HA PRO A 116 1.440 -8.290 7.568 1.00 0.46 H new ATOM 0 HB2 PRO A 116 2.609 -9.729 9.685 1.00 0.55 H new ATOM 0 HB3 PRO A 116 0.903 -9.328 9.673 1.00 0.55 H new ATOM 0 HG2 PRO A 116 2.247 -11.888 8.802 1.00 0.55 H new ATOM 0 HG3 PRO A 116 0.825 -11.684 9.805 1.00 0.55 H new ATOM 0 HD2 PRO A 116 0.521 -12.299 7.222 1.00 0.50 H new ATOM 0 HD3 PRO A 116 -0.565 -11.134 7.952 1.00 0.50 H new ATOM 286 N SER A 117 3.789 -10.192 6.560 1.00 0.36 N ATOM 287 CA SER A 117 5.175 -10.189 6.098 1.00 0.37 C ATOM 288 C SER A 117 5.470 -8.948 5.253 1.00 0.38 C ATOM 289 O SER A 117 6.613 -8.498 5.169 1.00 0.56 O ATOM 290 CB SER A 117 5.471 -11.448 5.282 1.00 0.37 C ATOM 291 OG SER A 117 5.163 -12.620 6.017 1.00 1.30 O ATOM 0 H SER A 117 3.248 -11.004 6.262 1.00 0.36 H new ATOM 0 HA SER A 117 5.818 -10.173 6.978 1.00 0.37 H new ATOM 0 HB2 SER A 117 4.891 -11.431 4.359 1.00 0.37 H new ATOM 0 HB3 SER A 117 6.523 -11.461 4.997 1.00 0.37 H new ATOM 0 HG SER A 117 4.202 -12.802 5.956 1.00 1.30 H new ATOM 297 N PHE A 118 4.434 -8.386 4.646 1.00 0.28 N ATOM 298 CA PHE A 118 4.590 -7.203 3.816 1.00 0.32 C ATOM 299 C PHE A 118 4.327 -5.957 4.643 1.00 0.44 C ATOM 300 O PHE A 118 3.221 -5.424 4.644 1.00 0.94 O ATOM 301 CB PHE A 118 3.638 -7.251 2.629 1.00 0.27 C ATOM 302 CG PHE A 118 3.787 -8.492 1.805 1.00 0.23 C ATOM 303 CD1 PHE A 118 3.126 -9.655 2.159 1.00 1.22 C ATOM 304 CD2 PHE A 118 4.581 -8.494 0.673 1.00 1.21 C ATOM 305 CE1 PHE A 118 3.255 -10.798 1.403 1.00 1.21 C ATOM 306 CE2 PHE A 118 4.714 -9.635 -0.089 1.00 1.23 C ATOM 307 CZ PHE A 118 4.048 -10.788 0.273 1.00 0.28 C ATOM 0 H PHE A 118 3.477 -8.731 4.714 1.00 0.28 H new ATOM 0 HA PHE A 118 5.612 -7.175 3.437 1.00 0.32 H new ATOM 0 HB2 PHE A 118 2.612 -7.184 2.991 1.00 0.27 H new ATOM 0 HB3 PHE A 118 3.811 -6.380 1.997 1.00 0.27 H new ATOM 0 HD1 PHE A 118 2.501 -9.666 3.040 1.00 1.22 H new ATOM 0 HD2 PHE A 118 5.102 -7.593 0.383 1.00 1.21 H new ATOM 0 HE1 PHE A 118 2.737 -11.700 1.693 1.00 1.21 H new ATOM 0 HE2 PHE A 118 5.340 -9.626 -0.969 1.00 1.23 H new ATOM 0 HZ PHE A 118 4.147 -11.681 -0.327 1.00 0.28 H new ATOM 317 N THR A 119 5.353 -5.498 5.336 1.00 0.39 N ATOM 318 CA THR A 119 5.221 -4.388 6.265 1.00 0.39 C ATOM 319 C THR A 119 4.737 -3.120 5.568 1.00 0.42 C ATOM 320 O THR A 119 3.781 -2.482 6.007 1.00 0.45 O ATOM 321 CB THR A 119 6.563 -4.098 6.957 1.00 0.44 C ATOM 322 OG1 THR A 119 6.974 -5.237 7.726 1.00 0.48 O ATOM 323 CG2 THR A 119 6.457 -2.872 7.851 1.00 0.45 C ATOM 0 H THR A 119 6.296 -5.881 5.272 1.00 0.39 H new ATOM 0 HA THR A 119 4.479 -4.682 7.007 1.00 0.39 H new ATOM 0 HB THR A 119 7.310 -3.897 6.189 1.00 0.44 H new ATOM 0 HG1 THR A 119 7.830 -5.045 8.162 1.00 0.48 H new ATOM 0 HG21 THR A 119 7.418 -2.687 8.330 1.00 0.45 H new ATOM 0 HG22 THR A 119 6.178 -2.006 7.250 1.00 0.45 H new ATOM 0 HG23 THR A 119 5.698 -3.043 8.615 1.00 0.45 H new ATOM 331 N HIS A 120 5.396 -2.765 4.481 1.00 0.44 N ATOM 332 CA HIS A 120 5.113 -1.516 3.794 1.00 0.51 C ATOM 333 C HIS A 120 3.752 -1.571 3.118 1.00 0.47 C ATOM 334 O HIS A 120 2.971 -0.626 3.200 1.00 0.57 O ATOM 335 CB HIS A 120 6.214 -1.210 2.784 1.00 0.60 C ATOM 336 CG HIS A 120 7.580 -1.216 3.389 1.00 0.92 C ATOM 337 ND1 HIS A 120 7.957 -0.393 4.428 1.00 1.09 N ATOM 338 CD2 HIS A 120 8.644 -2.004 3.135 1.00 1.19 C ATOM 339 CE1 HIS A 120 9.191 -0.686 4.788 1.00 1.40 C ATOM 340 NE2 HIS A 120 9.631 -1.662 4.022 1.00 1.47 N ATOM 0 H HIS A 120 6.133 -3.325 4.053 1.00 0.44 H new ATOM 0 HA HIS A 120 5.088 -0.711 4.528 1.00 0.51 H new ATOM 0 HB2 HIS A 120 6.176 -1.945 1.980 1.00 0.60 H new ATOM 0 HB3 HIS A 120 6.026 -0.235 2.334 1.00 0.60 H new ATOM 0 HD1 HIS A 120 7.374 0.329 4.852 1.00 1.09 H new ATOM 0 HD2 HIS A 120 8.707 -2.766 2.372 1.00 1.19 H new ATOM 0 HE1 HIS A 120 9.748 -0.206 5.579 1.00 1.40 H new ATOM 349 N ALA A 121 3.470 -2.694 2.471 1.00 0.37 N ATOM 350 CA ALA A 121 2.170 -2.916 1.846 1.00 0.34 C ATOM 351 C ALA A 121 1.060 -2.817 2.882 1.00 0.38 C ATOM 352 O ALA A 121 0.009 -2.223 2.643 1.00 0.47 O ATOM 353 CB ALA A 121 2.140 -4.275 1.174 1.00 0.27 C ATOM 0 H ALA A 121 4.125 -3.468 2.364 1.00 0.37 H new ATOM 0 HA ALA A 121 2.010 -2.146 1.091 1.00 0.34 H new ATOM 0 HB1 ALA A 121 1.166 -4.430 0.711 1.00 0.27 H new ATOM 0 HB2 ALA A 121 2.916 -4.320 0.410 1.00 0.27 H new ATOM 0 HB3 ALA A 121 2.317 -5.052 1.917 1.00 0.27 H new ATOM 359 N MET A 122 1.330 -3.383 4.043 1.00 0.35 N ATOM 360 CA MET A 122 0.389 -3.368 5.150 1.00 0.34 C ATOM 361 C MET A 122 0.258 -1.964 5.735 1.00 0.39 C ATOM 362 O MET A 122 -0.833 -1.534 6.111 1.00 0.41 O ATOM 363 CB MET A 122 0.831 -4.364 6.224 1.00 0.37 C ATOM 364 CG MET A 122 0.455 -5.805 5.922 1.00 0.38 C ATOM 365 SD MET A 122 -1.172 -6.269 6.555 1.00 0.49 S ATOM 366 CE MET A 122 -2.238 -5.106 5.707 1.00 0.63 C ATOM 0 H MET A 122 2.205 -3.865 4.246 1.00 0.35 H new ATOM 0 HA MET A 122 -0.591 -3.666 4.778 1.00 0.34 H new ATOM 0 HB2 MET A 122 1.913 -4.299 6.343 1.00 0.37 H new ATOM 0 HB3 MET A 122 0.388 -4.076 7.177 1.00 0.37 H new ATOM 0 HG2 MET A 122 0.475 -5.959 4.843 1.00 0.38 H new ATOM 0 HG3 MET A 122 1.207 -6.467 6.352 1.00 0.38 H new ATOM 0 HE1 MET A 122 -3.279 -5.334 5.934 1.00 0.63 H new ATOM 0 HE2 MET A 122 -2.008 -4.093 6.038 1.00 0.63 H new ATOM 0 HE3 MET A 122 -2.076 -5.182 4.632 1.00 0.63 H new ATOM 376 N GLN A 123 1.371 -1.242 5.786 1.00 0.44 N ATOM 377 CA GLN A 123 1.364 0.124 6.299 1.00 0.53 C ATOM 378 C GLN A 123 0.597 1.054 5.364 1.00 0.54 C ATOM 379 O GLN A 123 -0.211 1.862 5.821 1.00 0.62 O ATOM 380 CB GLN A 123 2.792 0.641 6.535 1.00 0.65 C ATOM 381 CG GLN A 123 2.888 2.161 6.607 1.00 0.83 C ATOM 382 CD GLN A 123 4.318 2.680 6.627 1.00 1.12 C ATOM 383 OE1 GLN A 123 4.595 3.772 6.129 1.00 1.60 O ATOM 384 NE2 GLN A 123 5.234 1.915 7.204 1.00 1.76 N ATOM 0 H GLN A 123 2.285 -1.576 5.481 1.00 0.44 H new ATOM 0 HA GLN A 123 0.852 0.112 7.261 1.00 0.53 H new ATOM 0 HB2 GLN A 123 3.174 0.217 7.464 1.00 0.65 H new ATOM 0 HB3 GLN A 123 3.436 0.282 5.732 1.00 0.65 H new ATOM 0 HG2 GLN A 123 2.366 2.591 5.752 1.00 0.83 H new ATOM 0 HG3 GLN A 123 2.372 2.507 7.502 1.00 0.83 H new ATOM 0 HE21 GLN A 123 4.968 1.016 7.606 1.00 1.76 H new ATOM 0 HE22 GLN A 123 6.205 2.225 7.246 1.00 1.76 H new ATOM 393 N LEU A 124 0.823 0.930 4.066 1.00 0.49 N ATOM 394 CA LEU A 124 0.183 1.815 3.104 1.00 0.50 C ATOM 395 C LEU A 124 -1.326 1.578 3.066 1.00 0.45 C ATOM 396 O LEU A 124 -2.105 2.518 2.905 1.00 0.52 O ATOM 397 CB LEU A 124 0.828 1.662 1.730 1.00 0.50 C ATOM 398 CG LEU A 124 2.312 2.036 1.690 1.00 0.56 C ATOM 399 CD1 LEU A 124 2.979 1.467 0.449 1.00 0.49 C ATOM 400 CD2 LEU A 124 2.476 3.547 1.735 1.00 0.83 C ATOM 0 H LEU A 124 1.441 0.230 3.655 1.00 0.49 H new ATOM 0 HA LEU A 124 0.333 2.847 3.420 1.00 0.50 H new ATOM 0 HB2 LEU A 124 0.716 0.629 1.401 1.00 0.50 H new ATOM 0 HB3 LEU A 124 0.288 2.284 1.016 1.00 0.50 H new ATOM 0 HG LEU A 124 2.798 1.605 2.565 1.00 0.56 H new ATOM 0 HD11 LEU A 124 4.033 1.746 0.442 1.00 0.49 H new ATOM 0 HD12 LEU A 124 2.891 0.381 0.454 1.00 0.49 H new ATOM 0 HD13 LEU A 124 2.492 1.866 -0.441 1.00 0.49 H new ATOM 0 HD21 LEU A 124 3.536 3.799 1.706 1.00 0.83 H new ATOM 0 HD22 LEU A 124 1.973 3.993 0.877 1.00 0.83 H new ATOM 0 HD23 LEU A 124 2.036 3.933 2.654 1.00 0.83 H new ATOM 412 N LEU A 125 -1.729 0.320 3.234 1.00 0.37 N ATOM 413 CA LEU A 125 -3.146 -0.021 3.330 1.00 0.35 C ATOM 414 C LEU A 125 -3.734 0.589 4.591 1.00 0.46 C ATOM 415 O LEU A 125 -4.857 1.085 4.589 1.00 0.52 O ATOM 416 CB LEU A 125 -3.343 -1.537 3.380 1.00 0.28 C ATOM 417 CG LEU A 125 -3.318 -2.265 2.043 1.00 0.25 C ATOM 418 CD1 LEU A 125 -3.243 -3.761 2.284 1.00 0.21 C ATOM 419 CD2 LEU A 125 -4.560 -1.930 1.233 1.00 0.33 C ATOM 0 H LEU A 125 -1.097 -0.477 3.306 1.00 0.37 H new ATOM 0 HA LEU A 125 -3.649 0.373 2.447 1.00 0.35 H new ATOM 0 HB2 LEU A 125 -2.566 -1.962 4.016 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -4.298 -1.742 3.863 1.00 0.28 H new ATOM 0 HG LEU A 125 -2.442 -1.944 1.480 1.00 0.25 H new ATOM 0 HD11 LEU A 125 -3.225 -4.283 1.327 1.00 0.21 H new ATOM 0 HD12 LEU A 125 -2.336 -3.995 2.842 1.00 0.21 H new ATOM 0 HD13 LEU A 125 -4.114 -4.081 2.856 1.00 0.21 H new ATOM 0 HD21 LEU A 125 -4.526 -2.458 0.280 1.00 0.33 H new ATOM 0 HD22 LEU A 125 -5.448 -2.235 1.786 1.00 0.33 H new ATOM 0 HD23 LEU A 125 -4.597 -0.856 1.051 1.00 0.33 H new ATOM 431 N THR A 126 -2.950 0.562 5.656 1.00 0.55 N ATOM 432 CA THR A 126 -3.407 1.081 6.930 1.00 0.74 C ATOM 433 C THR A 126 -3.599 2.591 6.846 1.00 0.92 C ATOM 434 O THR A 126 -4.638 3.125 7.236 1.00 1.07 O ATOM 435 CB THR A 126 -2.402 0.748 8.052 1.00 0.81 C ATOM 436 OG1 THR A 126 -2.290 -0.674 8.202 1.00 0.86 O ATOM 437 CG2 THR A 126 -2.827 1.375 9.373 1.00 0.91 C ATOM 0 H THR A 126 -2.001 0.189 5.662 1.00 0.55 H new ATOM 0 HA THR A 126 -4.361 0.608 7.164 1.00 0.74 H new ATOM 0 HB THR A 126 -1.433 1.162 7.774 1.00 0.81 H new ATOM 0 HG1 THR A 126 -1.582 -1.010 7.613 1.00 0.86 H new ATOM 0 HG21 THR A 126 -2.100 1.124 10.146 1.00 0.91 H new ATOM 0 HG22 THR A 126 -2.878 2.458 9.262 1.00 0.91 H new ATOM 0 HG23 THR A 126 -3.807 0.993 9.659 1.00 0.91 H new ATOM 445 N ALA A 127 -2.597 3.261 6.289 1.00 0.96 N ATOM 446 CA ALA A 127 -2.593 4.710 6.197 1.00 1.09 C ATOM 447 C ALA A 127 -3.735 5.233 5.335 1.00 1.18 C ATOM 448 O ALA A 127 -4.407 6.196 5.702 1.00 1.38 O ATOM 449 CB ALA A 127 -1.259 5.184 5.646 1.00 1.18 C ATOM 0 H ALA A 127 -1.770 2.815 5.891 1.00 0.96 H new ATOM 0 HA ALA A 127 -2.739 5.108 7.201 1.00 1.09 H new ATOM 0 HB1 ALA A 127 -1.259 6.272 5.578 1.00 1.18 H new ATOM 0 HB2 ALA A 127 -0.456 4.862 6.309 1.00 1.18 H new ATOM 0 HB3 ALA A 127 -1.103 4.759 4.655 1.00 1.18 H new ATOM 455 N GLU A 128 -3.942 4.601 4.181 1.00 1.13 N ATOM 456 CA GLU A 128 -4.990 5.023 3.253 1.00 1.31 C ATOM 457 C GLU A 128 -6.360 4.951 3.922 1.00 1.38 C ATOM 458 O GLU A 128 -7.207 5.828 3.739 1.00 1.61 O ATOM 459 CB GLU A 128 -4.977 4.148 1.998 1.00 1.35 C ATOM 460 CG GLU A 128 -5.739 4.752 0.830 1.00 1.47 C ATOM 461 CD GLU A 128 -4.960 5.839 0.110 1.00 1.46 C ATOM 462 OE1 GLU A 128 -5.014 5.883 -1.135 1.00 2.02 O ATOM 463 OE2 GLU A 128 -4.279 6.641 0.779 1.00 1.95 O ATOM 0 H GLU A 128 -3.399 3.797 3.867 1.00 1.13 H new ATOM 0 HA GLU A 128 -4.794 6.056 2.965 1.00 1.31 H new ATOM 0 HB2 GLU A 128 -3.944 3.974 1.697 1.00 1.35 H new ATOM 0 HB3 GLU A 128 -5.407 3.176 2.238 1.00 1.35 H new ATOM 0 HG2 GLU A 128 -5.991 3.963 0.121 1.00 1.47 H new ATOM 0 HG3 GLU A 128 -6.680 5.167 1.193 1.00 1.47 H new ATOM 470 N ILE A 129 -6.556 3.910 4.721 1.00 1.24 N ATOM 471 CA ILE A 129 -7.800 3.737 5.453 1.00 1.42 C ATOM 472 C ILE A 129 -7.981 4.857 6.472 1.00 1.64 C ATOM 473 O ILE A 129 -9.080 5.394 6.631 1.00 1.92 O ATOM 474 CB ILE A 129 -7.848 2.362 6.146 1.00 1.32 C ATOM 475 CG1 ILE A 129 -7.896 1.270 5.084 1.00 1.14 C ATOM 476 CG2 ILE A 129 -9.047 2.253 7.080 1.00 1.59 C ATOM 477 CD1 ILE A 129 -7.782 -0.128 5.636 1.00 1.01 C ATOM 0 H ILE A 129 -5.868 3.173 4.877 1.00 1.24 H new ATOM 0 HA ILE A 129 -8.621 3.783 4.738 1.00 1.42 H new ATOM 0 HB ILE A 129 -6.951 2.243 6.754 1.00 1.32 H new ATOM 0 HG12 ILE A 129 -8.831 1.356 4.531 1.00 1.14 H new ATOM 0 HG13 ILE A 129 -7.088 1.435 4.371 1.00 1.14 H new ATOM 0 HG21 ILE A 129 -9.052 1.271 7.553 1.00 1.59 H new ATOM 0 HG22 ILE A 129 -8.982 3.025 7.847 1.00 1.59 H new ATOM 0 HG23 ILE A 129 -9.966 2.385 6.509 1.00 1.59 H new ATOM 0 HD11 ILE A 129 -7.825 -0.847 4.818 1.00 1.01 H new ATOM 0 HD12 ILE A 129 -6.834 -0.235 6.164 1.00 1.01 H new ATOM 0 HD13 ILE A 129 -8.605 -0.315 6.326 1.00 1.01 H new ATOM 679 N LEU B 104 13.011 2.343 -0.428 1.00 2.70 N ATOM 680 CA LEU B 104 12.636 2.075 -1.813 1.00 2.55 C ATOM 681 C LEU B 104 12.765 0.589 -2.179 1.00 2.53 C ATOM 682 O LEU B 104 11.792 -0.017 -2.633 1.00 2.25 O ATOM 683 CB LEU B 104 13.474 2.937 -2.763 1.00 2.85 C ATOM 684 CG LEU B 104 13.222 2.698 -4.252 1.00 2.83 C ATOM 685 CD1 LEU B 104 11.776 3.006 -4.604 1.00 2.46 C ATOM 686 CD2 LEU B 104 14.167 3.540 -5.093 1.00 3.18 C ATOM 0 HA LEU B 104 11.584 2.337 -1.920 1.00 2.55 H new ATOM 0 HB2 LEU B 104 13.280 3.987 -2.542 1.00 2.85 H new ATOM 0 HB3 LEU B 104 14.529 2.757 -2.556 1.00 2.85 H new ATOM 0 HG LEU B 104 13.412 1.647 -4.469 1.00 2.83 H new ATOM 0 HD11 LEU B 104 11.615 2.830 -5.668 1.00 2.46 H new ATOM 0 HD12 LEU B 104 11.115 2.360 -4.026 1.00 2.46 H new ATOM 0 HD13 LEU B 104 11.559 4.049 -4.372 1.00 2.46 H new ATOM 0 HD21 LEU B 104 13.974 3.358 -6.150 1.00 3.18 H new ATOM 0 HD22 LEU B 104 14.008 4.596 -4.872 1.00 3.18 H new ATOM 0 HD23 LEU B 104 15.198 3.272 -4.861 1.00 3.18 H new ATOM 698 N PRO B 105 13.953 -0.033 -2.001 1.00 2.88 N ATOM 699 CA PRO B 105 14.150 -1.447 -2.342 1.00 2.95 C ATOM 700 C PRO B 105 13.234 -2.366 -1.539 1.00 2.65 C ATOM 701 O PRO B 105 12.850 -3.439 -2.003 1.00 2.62 O ATOM 702 CB PRO B 105 15.620 -1.705 -1.996 1.00 3.43 C ATOM 703 CG PRO B 105 15.960 -0.635 -1.020 1.00 3.51 C ATOM 704 CD PRO B 105 15.193 0.565 -1.477 1.00 3.28 C ATOM 0 HA PRO B 105 13.911 -1.651 -3.386 1.00 2.95 H new ATOM 0 HB2 PRO B 105 15.759 -2.696 -1.564 1.00 3.43 H new ATOM 0 HB3 PRO B 105 16.253 -1.651 -2.882 1.00 3.43 H new ATOM 0 HG2 PRO B 105 15.678 -0.921 -0.007 1.00 3.51 H new ATOM 0 HG3 PRO B 105 17.032 -0.437 -1.009 1.00 3.51 H new ATOM 0 HD2 PRO B 105 14.996 1.257 -0.658 1.00 3.28 H new ATOM 0 HD3 PRO B 105 15.731 1.123 -2.244 1.00 3.28 H new ATOM 712 N GLU B 106 12.896 -1.949 -0.330 1.00 2.53 N ATOM 713 CA GLU B 106 11.950 -2.689 0.480 1.00 2.35 C ATOM 714 C GLU B 106 10.586 -2.731 -0.199 1.00 1.89 C ATOM 715 O GLU B 106 9.932 -3.774 -0.254 1.00 1.84 O ATOM 716 CB GLU B 106 11.816 -2.031 1.849 1.00 2.43 C ATOM 717 CG GLU B 106 13.102 -2.014 2.661 1.00 2.88 C ATOM 718 CD GLU B 106 13.740 -3.382 2.799 1.00 3.33 C ATOM 719 OE1 GLU B 106 13.200 -4.221 3.546 1.00 3.62 O ATOM 720 OE2 GLU B 106 14.799 -3.614 2.182 1.00 3.71 O ATOM 0 H GLU B 106 13.263 -1.104 0.109 1.00 2.53 H new ATOM 0 HA GLU B 106 12.317 -3.708 0.599 1.00 2.35 H new ATOM 0 HB2 GLU B 106 11.471 -1.006 1.715 1.00 2.43 H new ATOM 0 HB3 GLU B 106 11.047 -2.554 2.418 1.00 2.43 H new ATOM 0 HG2 GLU B 106 13.813 -1.335 2.190 1.00 2.88 H new ATOM 0 HG3 GLU B 106 12.892 -1.617 3.654 1.00 2.88 H new ATOM 727 N LEU B 107 10.170 -1.584 -0.723 1.00 1.63 N ATOM 728 CA LEU B 107 8.881 -1.466 -1.394 1.00 1.23 C ATOM 729 C LEU B 107 8.818 -2.354 -2.625 1.00 1.08 C ATOM 730 O LEU B 107 7.842 -3.062 -2.833 1.00 0.96 O ATOM 731 CB LEU B 107 8.622 -0.022 -1.813 1.00 1.21 C ATOM 732 CG LEU B 107 8.444 0.965 -0.671 1.00 1.31 C ATOM 733 CD1 LEU B 107 8.459 2.384 -1.202 1.00 1.42 C ATOM 734 CD2 LEU B 107 7.143 0.696 0.062 1.00 1.19 C ATOM 0 H LEU B 107 10.709 -0.719 -0.696 1.00 1.63 H new ATOM 0 HA LEU B 107 8.117 -1.785 -0.685 1.00 1.23 H new ATOM 0 HB2 LEU B 107 9.453 0.313 -2.434 1.00 1.21 H new ATOM 0 HB3 LEU B 107 7.728 0.003 -2.436 1.00 1.21 H new ATOM 0 HG LEU B 107 9.270 0.841 0.029 1.00 1.31 H new ATOM 0 HD11 LEU B 107 8.331 3.083 -0.376 1.00 1.42 H new ATOM 0 HD12 LEU B 107 9.411 2.577 -1.696 1.00 1.42 H new ATOM 0 HD13 LEU B 107 7.646 2.514 -1.916 1.00 1.42 H new ATOM 0 HD21 LEU B 107 7.030 1.411 0.877 1.00 1.19 H new ATOM 0 HD22 LEU B 107 6.307 0.800 -0.630 1.00 1.19 H new ATOM 0 HD23 LEU B 107 7.156 -0.316 0.466 1.00 1.19 H new ATOM 746 N MET B 108 9.878 -2.324 -3.420 1.00 1.26 N ATOM 747 CA MET B 108 9.929 -3.106 -4.654 1.00 1.26 C ATOM 748 C MET B 108 9.926 -4.603 -4.363 1.00 1.17 C ATOM 749 O MET B 108 9.362 -5.387 -5.127 1.00 1.13 O ATOM 750 CB MET B 108 11.153 -2.725 -5.501 1.00 1.64 C ATOM 751 CG MET B 108 12.494 -3.128 -4.922 1.00 1.96 C ATOM 752 SD MET B 108 13.877 -2.578 -5.941 1.00 2.39 S ATOM 753 CE MET B 108 13.637 -0.800 -5.911 1.00 2.67 C ATOM 0 H MET B 108 10.714 -1.769 -3.236 1.00 1.26 H new ATOM 0 HA MET B 108 9.031 -2.871 -5.226 1.00 1.26 H new ATOM 0 HB2 MET B 108 11.049 -3.182 -6.485 1.00 1.64 H new ATOM 0 HB3 MET B 108 11.150 -1.645 -5.649 1.00 1.64 H new ATOM 0 HG2 MET B 108 12.595 -2.709 -3.921 1.00 1.96 H new ATOM 0 HG3 MET B 108 12.531 -4.212 -4.819 1.00 1.96 H new ATOM 0 HE1 MET B 108 14.600 -0.305 -5.786 1.00 2.67 H new ATOM 0 HE2 MET B 108 13.182 -0.478 -6.848 1.00 2.67 H new ATOM 0 HE3 MET B 108 12.983 -0.535 -5.081 1.00 2.67 H new ATOM 763 N ALA B 109 10.545 -5.005 -3.260 1.00 1.27 N ATOM 764 CA ALA B 109 10.579 -6.413 -2.897 1.00 1.30 C ATOM 765 C ALA B 109 9.194 -6.900 -2.473 1.00 0.99 C ATOM 766 O ALA B 109 8.734 -7.945 -2.930 1.00 1.01 O ATOM 767 CB ALA B 109 11.606 -6.661 -1.806 1.00 1.60 C ATOM 0 H ALA B 109 11.025 -4.383 -2.609 1.00 1.27 H new ATOM 0 HA ALA B 109 10.877 -6.985 -3.775 1.00 1.30 H new ATOM 0 HB1 ALA B 109 11.615 -7.720 -1.549 1.00 1.60 H new ATOM 0 HB2 ALA B 109 12.593 -6.365 -2.161 1.00 1.60 H new ATOM 0 HB3 ALA B 109 11.348 -6.076 -0.923 1.00 1.60 H new ATOM 773 N GLU B 110 8.529 -6.128 -1.620 1.00 0.80 N ATOM 774 CA GLU B 110 7.167 -6.469 -1.201 1.00 0.62 C ATOM 775 C GLU B 110 6.220 -6.359 -2.396 1.00 0.45 C ATOM 776 O GLU B 110 5.316 -7.168 -2.573 1.00 0.54 O ATOM 777 CB GLU B 110 6.694 -5.554 -0.067 1.00 0.56 C ATOM 778 CG GLU B 110 7.459 -5.749 1.230 1.00 0.60 C ATOM 779 CD GLU B 110 6.893 -4.925 2.369 1.00 0.83 C ATOM 780 OE1 GLU B 110 7.502 -4.912 3.460 1.00 1.49 O ATOM 781 OE2 GLU B 110 5.834 -4.292 2.186 1.00 1.48 O ATOM 0 H GLU B 110 8.901 -5.272 -1.208 1.00 0.80 H new ATOM 0 HA GLU B 110 7.166 -7.494 -0.829 1.00 0.62 H new ATOM 0 HB2 GLU B 110 6.792 -4.516 -0.384 1.00 0.56 H new ATOM 0 HB3 GLU B 110 5.634 -5.733 0.115 1.00 0.56 H new ATOM 0 HG2 GLU B 110 7.439 -6.804 1.504 1.00 0.60 H new ATOM 0 HG3 GLU B 110 8.504 -5.480 1.075 1.00 0.60 H new ATOM 788 N LYS B 111 6.483 -5.344 -3.202 1.00 0.41 N ATOM 789 CA LYS B 111 5.691 -5.126 -4.413 1.00 0.46 C ATOM 790 C LYS B 111 5.685 -6.366 -5.307 1.00 0.47 C ATOM 791 O LYS B 111 4.629 -6.854 -5.693 1.00 0.52 O ATOM 792 CB LYS B 111 6.227 -3.916 -5.189 1.00 0.63 C ATOM 793 CG LYS B 111 5.913 -3.936 -6.677 1.00 0.79 C ATOM 794 CD LYS B 111 6.394 -2.666 -7.354 1.00 0.89 C ATOM 795 CE LYS B 111 6.391 -2.799 -8.866 1.00 1.15 C ATOM 796 NZ LYS B 111 7.438 -3.741 -9.342 1.00 1.89 N ATOM 0 H LYS B 111 7.227 -4.663 -3.048 1.00 0.41 H new ATOM 0 HA LYS B 111 4.664 -4.927 -4.108 1.00 0.46 H new ATOM 0 HB2 LYS B 111 5.811 -3.007 -4.754 1.00 0.63 H new ATOM 0 HB3 LYS B 111 7.308 -3.866 -5.059 1.00 0.63 H new ATOM 0 HG2 LYS B 111 6.388 -4.801 -7.140 1.00 0.79 H new ATOM 0 HG3 LYS B 111 4.838 -4.045 -6.824 1.00 0.79 H new ATOM 0 HD2 LYS B 111 5.755 -1.833 -7.061 1.00 0.89 H new ATOM 0 HD3 LYS B 111 7.402 -2.430 -7.012 1.00 0.89 H new ATOM 0 HE2 LYS B 111 5.412 -3.146 -9.198 1.00 1.15 H new ATOM 0 HE3 LYS B 111 6.552 -1.820 -9.317 1.00 1.15 H new ATOM 0 HZ1 LYS B 111 7.030 -4.385 -10.049 1.00 1.89 H new ATOM 0 HZ2 LYS B 111 8.218 -3.204 -9.772 1.00 1.89 H new ATOM 0 HZ3 LYS B 111 7.800 -4.293 -8.538 1.00 1.89 H new ATOM 810 N ASP B 112 6.859 -6.887 -5.612 1.00 0.49 N ATOM 811 CA ASP B 112 6.966 -8.018 -6.533 1.00 0.58 C ATOM 812 C ASP B 112 6.645 -9.343 -5.849 1.00 0.53 C ATOM 813 O ASP B 112 6.540 -10.380 -6.504 1.00 0.63 O ATOM 814 CB ASP B 112 8.352 -8.068 -7.171 1.00 0.72 C ATOM 815 CG ASP B 112 8.469 -7.121 -8.347 1.00 2.65 C ATOM 816 OD1 ASP B 112 8.495 -5.893 -8.129 1.00 3.03 O ATOM 817 OD2 ASP B 112 8.536 -7.602 -9.497 1.00 3.08 O ATOM 0 H ASP B 112 7.749 -6.553 -5.242 1.00 0.49 H new ATOM 0 HA ASP B 112 6.224 -7.866 -7.317 1.00 0.58 H new ATOM 0 HB2 ASP B 112 9.104 -7.814 -6.424 1.00 0.72 H new ATOM 0 HB3 ASP B 112 8.562 -9.085 -7.502 1.00 0.72 H new ATOM 822 N SER B 113 6.482 -9.311 -4.536 1.00 0.44 N ATOM 823 CA SER B 113 6.167 -10.519 -3.781 1.00 0.43 C ATOM 824 C SER B 113 4.690 -10.555 -3.388 1.00 0.35 C ATOM 825 O SER B 113 4.173 -11.585 -2.952 1.00 0.40 O ATOM 826 CB SER B 113 7.040 -10.591 -2.530 1.00 0.44 C ATOM 827 OG SER B 113 8.416 -10.581 -2.870 1.00 0.55 O ATOM 0 H SER B 113 6.562 -8.466 -3.970 1.00 0.44 H new ATOM 0 HA SER B 113 6.370 -11.381 -4.417 1.00 0.43 H new ATOM 0 HB2 SER B 113 6.817 -9.747 -1.877 1.00 0.44 H new ATOM 0 HB3 SER B 113 6.806 -11.497 -1.971 1.00 0.44 H new ATOM 0 HG SER B 113 8.724 -9.655 -2.958 1.00 0.55 H new ATOM 833 N LEU B 114 4.021 -9.426 -3.536 1.00 0.27 N ATOM 834 CA LEU B 114 2.624 -9.301 -3.153 1.00 0.23 C ATOM 835 C LEU B 114 1.732 -9.882 -4.249 1.00 0.27 C ATOM 836 O LEU B 114 2.040 -9.767 -5.436 1.00 0.30 O ATOM 837 CB LEU B 114 2.292 -7.826 -2.918 1.00 0.17 C ATOM 838 CG LEU B 114 1.091 -7.544 -2.012 1.00 0.14 C ATOM 839 CD1 LEU B 114 1.455 -7.752 -0.549 1.00 0.14 C ATOM 840 CD2 LEU B 114 0.592 -6.134 -2.226 1.00 0.16 C ATOM 0 H LEU B 114 4.427 -8.574 -3.923 1.00 0.27 H new ATOM 0 HA LEU B 114 2.446 -9.855 -2.232 1.00 0.23 H new ATOM 0 HB2 LEU B 114 3.168 -7.341 -2.488 1.00 0.17 H new ATOM 0 HB3 LEU B 114 2.111 -7.357 -3.885 1.00 0.17 H new ATOM 0 HG LEU B 114 0.298 -8.244 -2.273 1.00 0.14 H new ATOM 0 HD11 LEU B 114 0.586 -7.546 0.075 1.00 0.14 H new ATOM 0 HD12 LEU B 114 1.775 -8.783 -0.397 1.00 0.14 H new ATOM 0 HD13 LEU B 114 2.266 -7.077 -0.276 1.00 0.14 H new ATOM 0 HD21 LEU B 114 -0.262 -5.948 -1.575 1.00 0.16 H new ATOM 0 HD22 LEU B 114 1.388 -5.427 -1.992 1.00 0.16 H new ATOM 0 HD23 LEU B 114 0.290 -6.009 -3.266 1.00 0.16 H new ATOM 852 N ASP B 115 0.647 -10.526 -3.838 1.00 0.29 N ATOM 853 CA ASP B 115 -0.280 -11.150 -4.775 1.00 0.34 C ATOM 854 C ASP B 115 -1.145 -10.088 -5.451 1.00 0.33 C ATOM 855 O ASP B 115 -1.686 -9.199 -4.788 1.00 0.29 O ATOM 856 CB ASP B 115 -1.170 -12.163 -4.043 1.00 0.37 C ATOM 857 CG ASP B 115 -1.940 -13.064 -4.990 1.00 0.49 C ATOM 858 OD1 ASP B 115 -2.878 -12.582 -5.658 1.00 1.23 O ATOM 859 OD2 ASP B 115 -1.620 -14.269 -5.060 1.00 1.21 O ATOM 0 H ASP B 115 0.386 -10.630 -2.857 1.00 0.29 H new ATOM 0 HA ASP B 115 0.296 -11.672 -5.539 1.00 0.34 H new ATOM 0 HB2 ASP B 115 -0.551 -12.777 -3.388 1.00 0.37 H new ATOM 0 HB3 ASP B 115 -1.874 -11.627 -3.406 1.00 0.37 H new ATOM 864 N PRO B 116 -1.288 -10.178 -6.785 1.00 0.41 N ATOM 865 CA PRO B 116 -2.030 -9.198 -7.596 1.00 0.46 C ATOM 866 C PRO B 116 -3.503 -9.075 -7.206 1.00 0.42 C ATOM 867 O PRO B 116 -4.170 -8.112 -7.596 1.00 0.47 O ATOM 868 CB PRO B 116 -1.906 -9.741 -9.024 1.00 0.55 C ATOM 869 CG PRO B 116 -1.595 -11.183 -8.845 1.00 0.55 C ATOM 870 CD PRO B 116 -0.729 -11.250 -7.627 1.00 0.50 C ATOM 0 HA PRO B 116 -1.625 -8.195 -7.462 1.00 0.46 H new ATOM 0 HB2 PRO B 116 -2.830 -9.600 -9.584 1.00 0.55 H new ATOM 0 HB3 PRO B 116 -1.117 -9.230 -9.576 1.00 0.55 H new ATOM 0 HG2 PRO B 116 -2.505 -11.769 -8.714 1.00 0.55 H new ATOM 0 HG3 PRO B 116 -1.080 -11.586 -9.717 1.00 0.55 H new ATOM 0 HD2 PRO B 116 -0.788 -12.223 -7.139 1.00 0.50 H new ATOM 0 HD3 PRO B 116 0.320 -11.075 -7.864 1.00 0.50 H new ATOM 878 N SER B 117 -4.012 -10.058 -6.462 1.00 0.36 N ATOM 879 CA SER B 117 -5.398 -10.032 -6.000 1.00 0.37 C ATOM 880 C SER B 117 -5.672 -8.792 -5.147 1.00 0.38 C ATOM 881 O SER B 117 -6.808 -8.322 -5.060 1.00 0.56 O ATOM 882 CB SER B 117 -5.717 -11.291 -5.192 1.00 0.37 C ATOM 883 OG SER B 117 -5.406 -12.465 -5.923 1.00 1.30 O ATOM 0 H SER B 117 -3.485 -10.880 -6.168 1.00 0.36 H new ATOM 0 HA SER B 117 -6.040 -9.997 -6.880 1.00 0.37 H new ATOM 0 HB2 SER B 117 -5.152 -11.280 -4.260 1.00 0.37 H new ATOM 0 HB3 SER B 117 -6.774 -11.296 -4.924 1.00 0.37 H new ATOM 0 HG SER B 117 -4.437 -12.611 -5.910 1.00 1.30 H new ATOM 889 N PHE B 118 -4.626 -8.255 -4.536 1.00 0.28 N ATOM 890 CA PHE B 118 -4.758 -7.072 -3.698 1.00 0.32 C ATOM 891 C PHE B 118 -4.470 -5.827 -4.517 1.00 0.44 C ATOM 892 O PHE B 118 -3.355 -5.315 -4.513 1.00 0.94 O ATOM 893 CB PHE B 118 -3.803 -7.152 -2.514 1.00 0.27 C ATOM 894 CG PHE B 118 -3.975 -8.396 -1.698 1.00 0.23 C ATOM 895 CD1 PHE B 118 -3.339 -9.570 -2.064 1.00 1.22 C ATOM 896 CD2 PHE B 118 -4.769 -8.391 -0.567 1.00 1.21 C ATOM 897 CE1 PHE B 118 -3.489 -10.714 -1.315 1.00 1.21 C ATOM 898 CE2 PHE B 118 -4.924 -9.533 0.188 1.00 1.23 C ATOM 899 CZ PHE B 118 -4.282 -10.699 -0.185 1.00 0.28 C ATOM 0 H PHE B 118 -3.676 -8.620 -4.605 1.00 0.28 H new ATOM 0 HA PHE B 118 -5.778 -7.022 -3.318 1.00 0.32 H new ATOM 0 HB2 PHE B 118 -2.777 -7.104 -2.879 1.00 0.27 H new ATOM 0 HB3 PHE B 118 -3.954 -6.282 -1.875 1.00 0.27 H new ATOM 0 HD1 PHE B 118 -2.718 -9.588 -2.948 1.00 1.22 H new ATOM 0 HD2 PHE B 118 -5.273 -7.483 -0.272 1.00 1.21 H new ATOM 0 HE1 PHE B 118 -2.987 -11.623 -1.611 1.00 1.21 H new ATOM 0 HE2 PHE B 118 -5.546 -9.517 1.070 1.00 1.23 H new ATOM 0 HZ PHE B 118 -4.400 -11.595 0.406 1.00 0.28 H new ATOM 909 N THR B 119 -5.486 -5.343 -5.207 1.00 0.39 N ATOM 910 CA THR B 119 -5.327 -4.233 -6.131 1.00 0.39 C ATOM 911 C THR B 119 -4.827 -2.977 -5.428 1.00 0.41 C ATOM 912 O THR B 119 -3.869 -2.348 -5.867 1.00 0.45 O ATOM 913 CB THR B 119 -6.658 -3.916 -6.830 1.00 0.44 C ATOM 914 OG1 THR B 119 -7.073 -5.041 -7.622 1.00 0.48 O ATOM 915 CG2 THR B 119 -6.531 -2.675 -7.703 1.00 0.45 C ATOM 0 H THR B 119 -6.438 -5.704 -5.145 1.00 0.39 H new ATOM 0 HA THR B 119 -4.584 -4.539 -6.868 1.00 0.39 H new ATOM 0 HB THR B 119 -7.411 -3.718 -6.067 1.00 0.44 H new ATOM 0 HG1 THR B 119 -7.923 -4.834 -8.064 1.00 0.48 H new ATOM 0 HG21 THR B 119 -7.486 -2.471 -8.187 1.00 0.45 H new ATOM 0 HG22 THR B 119 -6.248 -1.823 -7.085 1.00 0.45 H new ATOM 0 HG23 THR B 119 -5.767 -2.841 -8.463 1.00 0.45 H new ATOM 923 N HIS B 120 -5.479 -2.622 -4.335 1.00 0.44 N ATOM 924 CA HIS B 120 -5.174 -1.382 -3.639 1.00 0.51 C ATOM 925 C HIS B 120 -3.814 -1.466 -2.965 1.00 0.47 C ATOM 926 O HIS B 120 -3.019 -0.530 -3.034 1.00 0.57 O ATOM 927 CB HIS B 120 -6.267 -1.064 -2.626 1.00 0.60 C ATOM 928 CG HIS B 120 -7.633 -1.040 -3.231 1.00 0.92 C ATOM 929 ND1 HIS B 120 -7.991 -0.204 -4.264 1.00 1.09 N ATOM 930 CD2 HIS B 120 -8.712 -1.810 -2.986 1.00 1.19 C ATOM 931 CE1 HIS B 120 -9.229 -0.470 -4.627 1.00 1.40 C ATOM 932 NE2 HIS B 120 -9.691 -1.442 -3.872 1.00 1.47 N ATOM 0 H HIS B 120 -6.223 -3.174 -3.909 1.00 0.44 H new ATOM 0 HA HIS B 120 -5.137 -0.572 -4.368 1.00 0.51 H new ATOM 0 HB2 HIS B 120 -6.242 -1.806 -1.828 1.00 0.60 H new ATOM 0 HB3 HIS B 120 -6.061 -0.096 -2.169 1.00 0.60 H new ATOM 0 HD1 HIS B 120 -7.393 0.508 -4.682 1.00 1.09 H new ATOM 0 HD2 HIS B 120 -8.791 -2.577 -2.230 1.00 1.19 H new ATOM 0 HE1 HIS B 120 -9.774 0.028 -5.415 1.00 1.40 H new ATOM 941 N ALA B 121 -3.548 -2.602 -2.327 1.00 0.37 N ATOM 942 CA ALA B 121 -2.252 -2.853 -1.705 1.00 0.33 C ATOM 943 C ALA B 121 -1.139 -2.769 -2.737 1.00 0.38 C ATOM 944 O ALA B 121 -0.076 -2.196 -2.493 1.00 0.47 O ATOM 945 CB ALA B 121 -2.251 -4.216 -1.038 1.00 0.27 C ATOM 0 H ALA B 121 -4.216 -3.366 -2.227 1.00 0.37 H new ATOM 0 HA ALA B 121 -2.075 -2.089 -0.948 1.00 0.33 H new ATOM 0 HB1 ALA B 121 -1.280 -4.395 -0.577 1.00 0.27 H new ATOM 0 HB2 ALA B 121 -3.027 -4.248 -0.273 1.00 0.27 H new ATOM 0 HB3 ALA B 121 -2.445 -4.986 -1.784 1.00 0.27 H new ATOM 951 N MET B 122 -1.421 -3.317 -3.904 1.00 0.35 N ATOM 952 CA MET B 122 -0.481 -3.312 -5.010 1.00 0.34 C ATOM 953 C MET B 122 -0.324 -1.908 -5.584 1.00 0.38 C ATOM 954 O MET B 122 0.777 -1.497 -5.957 1.00 0.41 O ATOM 955 CB MET B 122 -0.944 -4.292 -6.090 1.00 0.37 C ATOM 956 CG MET B 122 -0.594 -5.743 -5.798 1.00 0.38 C ATOM 957 SD MET B 122 1.027 -6.230 -6.433 1.00 0.49 S ATOM 958 CE MET B 122 2.114 -5.096 -5.578 1.00 0.63 C ATOM 0 H MET B 122 -2.307 -3.778 -4.112 1.00 0.35 H new ATOM 0 HA MET B 122 0.494 -3.631 -4.641 1.00 0.34 H new ATOM 0 HB2 MET B 122 -2.024 -4.206 -6.206 1.00 0.37 H new ATOM 0 HB3 MET B 122 -0.497 -4.005 -7.042 1.00 0.37 H new ATOM 0 HG2 MET B 122 -0.618 -5.905 -4.720 1.00 0.38 H new ATOM 0 HG3 MET B 122 -1.356 -6.388 -6.235 1.00 0.38 H new ATOM 0 HE1 MET B 122 3.147 -5.297 -5.863 1.00 0.63 H new ATOM 0 HE2 MET B 122 1.856 -4.072 -5.848 1.00 0.63 H new ATOM 0 HE3 MET B 122 2.003 -5.227 -4.502 1.00 0.63 H new ATOM 968 N GLN B 123 -1.424 -1.165 -5.629 1.00 0.44 N ATOM 969 CA GLN B 123 -1.392 0.204 -6.132 1.00 0.53 C ATOM 970 C GLN B 123 -0.608 1.114 -5.190 1.00 0.54 C ATOM 971 O GLN B 123 0.211 1.914 -5.640 1.00 0.62 O ATOM 972 CB GLN B 123 -2.808 0.752 -6.365 1.00 0.65 C ATOM 973 CG GLN B 123 -2.872 2.276 -6.430 1.00 0.83 C ATOM 974 CD GLN B 123 -4.288 2.827 -6.448 1.00 1.12 C ATOM 975 OE1 GLN B 123 -4.541 3.924 -5.952 1.00 1.60 O ATOM 976 NE2 GLN B 123 -5.218 2.085 -7.029 1.00 1.76 N ATOM 0 H GLN B 123 -2.344 -1.485 -5.325 1.00 0.44 H new ATOM 0 HA GLN B 123 -0.881 0.187 -7.095 1.00 0.53 H new ATOM 0 HB2 GLN B 123 -3.199 0.341 -7.296 1.00 0.65 H new ATOM 0 HB3 GLN B 123 -3.460 0.403 -5.564 1.00 0.65 H new ATOM 0 HG2 GLN B 123 -2.341 2.690 -5.573 1.00 0.83 H new ATOM 0 HG3 GLN B 123 -2.348 2.615 -7.324 1.00 0.83 H new ATOM 0 HE21 GLN B 123 -4.972 1.180 -7.430 1.00 1.76 H new ATOM 0 HE22 GLN B 123 -6.181 2.418 -7.076 1.00 1.76 H new ATOM 985 N LEU B 124 -0.834 0.982 -3.894 1.00 0.49 N ATOM 986 CA LEU B 124 -0.178 1.851 -2.928 1.00 0.50 C ATOM 987 C LEU B 124 1.328 1.587 -2.891 1.00 0.45 C ATOM 988 O LEU B 124 2.124 2.513 -2.726 1.00 0.52 O ATOM 989 CB LEU B 124 -0.826 1.704 -1.554 1.00 0.50 C ATOM 990 CG LEU B 124 -2.300 2.108 -1.511 1.00 0.56 C ATOM 991 CD1 LEU B 124 -2.980 1.542 -0.274 1.00 0.49 C ATOM 992 CD2 LEU B 124 -2.436 3.624 -1.547 1.00 0.83 C ATOM 0 H LEU B 124 -1.461 0.288 -3.487 1.00 0.49 H new ATOM 0 HA LEU B 124 -0.309 2.887 -3.240 1.00 0.50 H new ATOM 0 HB2 LEU B 124 -0.735 0.667 -1.231 1.00 0.50 H new ATOM 0 HB3 LEU B 124 -0.273 2.311 -0.837 1.00 0.50 H new ATOM 0 HG LEU B 124 -2.793 1.693 -2.390 1.00 0.56 H new ATOM 0 HD11 LEU B 124 -4.028 1.843 -0.265 1.00 0.49 H new ATOM 0 HD12 LEU B 124 -2.915 0.454 -0.289 1.00 0.49 H new ATOM 0 HD13 LEU B 124 -2.486 1.923 0.620 1.00 0.49 H new ATOM 0 HD21 LEU B 124 -3.491 3.895 -1.516 1.00 0.83 H new ATOM 0 HD22 LEU B 124 -1.925 4.056 -0.687 1.00 0.83 H new ATOM 0 HD23 LEU B 124 -1.990 4.008 -2.464 1.00 0.83 H new ATOM 1004 N LEU B 125 1.708 0.323 -3.066 1.00 0.37 N ATOM 1005 CA LEU B 125 3.118 -0.046 -3.165 1.00 0.35 C ATOM 1006 C LEU B 125 3.716 0.561 -4.423 1.00 0.46 C ATOM 1007 O LEU B 125 4.847 1.036 -4.420 1.00 0.52 O ATOM 1008 CB LEU B 125 3.285 -1.565 -3.225 1.00 0.28 C ATOM 1009 CG LEU B 125 3.249 -2.303 -1.892 1.00 0.25 C ATOM 1010 CD1 LEU B 125 3.145 -3.794 -2.145 1.00 0.21 C ATOM 1011 CD2 LEU B 125 4.496 -1.996 -1.078 1.00 0.33 C ATOM 0 H LEU B 125 1.060 -0.461 -3.142 1.00 0.37 H new ATOM 0 HA LEU B 125 3.630 0.332 -2.280 1.00 0.35 H new ATOM 0 HB2 LEU B 125 2.499 -1.970 -3.862 1.00 0.28 H new ATOM 0 HB3 LEU B 125 4.235 -1.785 -3.712 1.00 0.28 H new ATOM 0 HG LEU B 125 2.380 -1.970 -1.325 1.00 0.25 H new ATOM 0 HD11 LEU B 125 3.119 -4.324 -1.193 1.00 0.21 H new ATOM 0 HD12 LEU B 125 2.233 -4.006 -2.703 1.00 0.21 H new ATOM 0 HD13 LEU B 125 4.008 -4.126 -2.722 1.00 0.21 H new ATOM 0 HD21 LEU B 125 4.452 -2.532 -0.130 1.00 0.33 H new ATOM 0 HD22 LEU B 125 5.380 -2.312 -1.633 1.00 0.33 H new ATOM 0 HD23 LEU B 125 4.551 -0.924 -0.887 1.00 0.33 H new ATOM 1023 N THR B 126 2.930 0.557 -5.488 1.00 0.55 N ATOM 1024 CA THR B 126 3.398 1.076 -6.757 1.00 0.74 C ATOM 1025 C THR B 126 3.621 2.583 -6.660 1.00 0.92 C ATOM 1026 O THR B 126 4.676 3.094 -7.035 1.00 1.07 O ATOM 1027 CB THR B 126 2.388 0.772 -7.884 1.00 0.81 C ATOM 1028 OG1 THR B 126 2.247 -0.645 -8.049 1.00 0.86 O ATOM 1029 CG2 THR B 126 2.820 1.403 -9.200 1.00 0.91 C ATOM 0 H THR B 126 1.974 0.203 -5.497 1.00 0.55 H new ATOM 0 HA THR B 126 4.342 0.585 -6.995 1.00 0.74 H new ATOM 0 HB THR B 126 1.428 1.203 -7.599 1.00 0.81 H new ATOM 0 HG1 THR B 126 1.580 -0.983 -7.416 1.00 0.86 H new ATOM 0 HG21 THR B 126 2.088 1.170 -9.973 1.00 0.91 H new ATOM 0 HG22 THR B 126 2.889 2.484 -9.080 1.00 0.91 H new ATOM 0 HG23 THR B 126 3.793 1.007 -9.491 1.00 0.91 H new ATOM 1037 N ALA B 127 2.632 3.272 -6.103 1.00 0.96 N ATOM 1038 CA ALA B 127 2.656 4.721 -6.006 1.00 1.09 C ATOM 1039 C ALA B 127 3.812 5.214 -5.140 1.00 1.18 C ATOM 1040 O ALA B 127 4.504 6.166 -5.496 1.00 1.38 O ATOM 1041 CB ALA B 127 1.333 5.215 -5.448 1.00 1.18 C ATOM 0 H ALA B 127 1.796 2.842 -5.708 1.00 0.96 H new ATOM 0 HA ALA B 127 2.806 5.124 -7.008 1.00 1.09 H new ATOM 0 HB1 ALA B 127 1.352 6.302 -5.376 1.00 1.18 H new ATOM 0 HB2 ALA B 127 0.522 4.909 -6.109 1.00 1.18 H new ATOM 0 HB3 ALA B 127 1.174 4.788 -4.458 1.00 1.18 H new ATOM 1047 N GLU B 128 4.006 4.567 -3.991 1.00 1.12 N ATOM 1048 CA GLU B 128 5.058 4.960 -3.057 1.00 1.31 C ATOM 1049 C GLU B 128 6.428 4.864 -3.721 1.00 1.38 C ATOM 1050 O GLU B 128 7.295 5.715 -3.521 1.00 1.62 O ATOM 1051 CB GLU B 128 5.028 4.079 -1.809 1.00 1.35 C ATOM 1052 CG GLU B 128 5.798 4.660 -0.634 1.00 1.46 C ATOM 1053 CD GLU B 128 5.032 5.748 0.095 1.00 1.46 C ATOM 1054 OE1 GLU B 128 5.099 5.793 1.340 1.00 2.01 O ATOM 1055 OE2 GLU B 128 4.340 6.548 -0.565 1.00 1.95 O ATOM 0 H GLU B 128 3.448 3.769 -3.686 1.00 1.12 H new ATOM 0 HA GLU B 128 4.878 5.994 -2.763 1.00 1.31 H new ATOM 0 HB2 GLU B 128 3.991 3.921 -1.511 1.00 1.35 H new ATOM 0 HB3 GLU B 128 5.441 3.101 -2.055 1.00 1.35 H new ATOM 0 HG2 GLU B 128 6.039 3.861 0.067 1.00 1.46 H new ATOM 0 HG3 GLU B 128 6.744 5.066 -0.992 1.00 1.46 H new ATOM 1062 N ILE B 129 6.603 3.827 -4.529 1.00 1.24 N ATOM 1063 CA ILE B 129 7.841 3.636 -5.266 1.00 1.42 C ATOM 1064 C ILE B 129 8.042 4.761 -6.278 1.00 1.64 C ATOM 1065 O ILE B 129 9.151 5.280 -6.432 1.00 1.92 O ATOM 1066 CB ILE B 129 7.865 2.266 -5.968 1.00 1.32 C ATOM 1067 CG1 ILE B 129 7.890 1.165 -4.913 1.00 1.14 C ATOM 1068 CG2 ILE B 129 9.062 2.143 -6.903 1.00 1.59 C ATOM 1069 CD1 ILE B 129 7.747 -0.225 -5.475 1.00 1.01 C ATOM 0 H ILE B 129 5.901 3.105 -4.690 1.00 1.24 H new ATOM 0 HA ILE B 129 8.664 3.661 -4.551 1.00 1.42 H new ATOM 0 HB ILE B 129 6.967 2.166 -6.578 1.00 1.32 H new ATOM 0 HG12 ILE B 129 8.827 1.227 -4.360 1.00 1.14 H new ATOM 0 HG13 ILE B 129 7.086 1.342 -4.199 1.00 1.14 H new ATOM 0 HG21 ILE B 129 9.050 1.164 -7.383 1.00 1.59 H new ATOM 0 HG22 ILE B 129 9.010 2.921 -7.664 1.00 1.59 H new ATOM 0 HG23 ILE B 129 9.983 2.255 -6.331 1.00 1.59 H new ATOM 0 HD11 ILE B 129 7.774 -0.951 -4.662 1.00 1.01 H new ATOM 0 HD12 ILE B 129 6.797 -0.308 -6.004 1.00 1.01 H new ATOM 0 HD13 ILE B 129 8.566 -0.424 -6.167 1.00 1.01 H new