USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=14 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 139:sc= -0.225 (180deg=-1.76) USER MOD Single : A 111 LYS NZ :NH3+ -166:sc= -0.0582 (180deg=-0.309) USER MOD Single : A 113 SER OG : rot 87:sc= 0.728 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HE2:sc= -1.49 X(o=-1.5,f=-1.4) USER MOD Single : A 122 MET CE :methyl 176:sc= -6.41! (180deg=-6.63!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 THR OG1 : rot 65:sc= 1.22 USER MOD Single : B 108 MET CE :methyl 140:sc= -0.232 (180deg=-1.77) USER MOD Single : B 111 LYS NZ :NH3+ -167:sc= -0.0524 (180deg=-0.297) USER MOD Single : B 113 SER OG : rot 87:sc= 0.697 USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 119 THR OG1 : rot 180:sc= 0 USER MOD Single : B 120 HIS : no HD1:sc= -1.66 X(o=-1.7,f=-1.6) USER MOD Single : B 122 MET CE :methyl 180:sc= -6.34! (180deg=-6.34!) USER MOD Single : B 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 126 THR OG1 : rot 72:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 104 -12.977 2.560 0.354 1.00 2.70 N ATOM 88 CA LEU A 104 -12.603 2.345 1.747 1.00 2.55 C ATOM 89 C LEU A 104 -12.728 0.870 2.166 1.00 2.53 C ATOM 90 O LEU A 104 -11.757 0.287 2.654 1.00 2.25 O ATOM 91 CB LEU A 104 -13.452 3.245 2.654 1.00 2.85 C ATOM 92 CG LEU A 104 -13.226 3.073 4.157 1.00 2.83 C ATOM 93 CD1 LEU A 104 -11.776 3.347 4.517 1.00 2.46 C ATOM 94 CD2 LEU A 104 -14.152 3.994 4.934 1.00 3.18 C ATOM 0 HA LEU A 104 -11.551 2.610 1.855 1.00 2.55 H new ATOM 0 HB2 LEU A 104 -13.254 4.284 2.392 1.00 2.85 H new ATOM 0 HB3 LEU A 104 -14.504 3.057 2.439 1.00 2.85 H new ATOM 0 HG LEU A 104 -13.453 2.041 4.426 1.00 2.83 H new ATOM 0 HD11 LEU A 104 -11.637 3.219 5.591 1.00 2.46 H new ATOM 0 HD12 LEU A 104 -11.130 2.650 3.982 1.00 2.46 H new ATOM 0 HD13 LEU A 104 -11.518 4.368 4.237 1.00 2.46 H new ATOM 0 HD21 LEU A 104 -13.982 3.863 6.003 1.00 3.18 H new ATOM 0 HD22 LEU A 104 -13.950 5.029 4.659 1.00 3.18 H new ATOM 0 HD23 LEU A 104 -15.188 3.751 4.699 1.00 3.18 H new ATOM 106 N PRO A 105 -13.910 0.230 2.000 1.00 2.88 N ATOM 107 CA PRO A 105 -14.097 -1.182 2.370 1.00 2.95 C ATOM 108 C PRO A 105 -13.182 -2.108 1.575 1.00 2.65 C ATOM 109 O PRO A 105 -12.817 -3.188 2.038 1.00 2.62 O ATOM 110 CB PRO A 105 -15.569 -1.455 2.045 1.00 3.43 C ATOM 111 CG PRO A 105 -15.923 -0.410 1.050 1.00 3.51 C ATOM 112 CD PRO A 105 -15.156 0.806 1.468 1.00 3.28 C ATOM 0 HA PRO A 105 -13.849 -1.367 3.415 1.00 2.95 H new ATOM 0 HB2 PRO A 105 -15.708 -2.456 1.637 1.00 3.43 H new ATOM 0 HB3 PRO A 105 -16.193 -1.384 2.936 1.00 3.43 H new ATOM 0 HG2 PRO A 105 -15.651 -0.719 0.041 1.00 3.51 H new ATOM 0 HG3 PRO A 105 -16.996 -0.217 1.046 1.00 3.51 H new ATOM 0 HD2 PRO A 105 -14.968 1.475 0.629 1.00 3.28 H new ATOM 0 HD3 PRO A 105 -15.691 1.383 2.222 1.00 3.28 H new ATOM 120 N GLU A 106 -12.830 -1.689 0.372 1.00 2.53 N ATOM 121 CA GLU A 106 -11.875 -2.425 -0.436 1.00 2.35 C ATOM 122 C GLU A 106 -10.525 -2.490 0.269 1.00 1.89 C ATOM 123 O GLU A 106 -9.894 -3.544 0.345 1.00 1.84 O ATOM 124 CB GLU A 106 -11.702 -1.737 -1.787 1.00 2.43 C ATOM 125 CG GLU A 106 -12.976 -1.656 -2.611 1.00 2.88 C ATOM 126 CD GLU A 106 -13.499 -3.009 -3.041 1.00 3.32 C ATOM 127 OE1 GLU A 106 -13.439 -3.307 -4.245 1.00 3.62 O ATOM 128 OE2 GLU A 106 -13.991 -3.766 -2.179 1.00 3.70 O ATOM 0 H GLU A 106 -13.192 -0.842 -0.067 1.00 2.53 H new ATOM 0 HA GLU A 106 -12.252 -3.437 -0.584 1.00 2.35 H new ATOM 0 HB2 GLU A 106 -11.324 -0.728 -1.623 1.00 2.43 H new ATOM 0 HB3 GLU A 106 -10.945 -2.272 -2.360 1.00 2.43 H new ATOM 0 HG2 GLU A 106 -13.744 -1.145 -2.030 1.00 2.88 H new ATOM 0 HG3 GLU A 106 -12.789 -1.048 -3.496 1.00 2.88 H new ATOM 135 N LEU A 107 -10.104 -1.347 0.795 1.00 1.63 N ATOM 136 CA LEU A 107 -8.824 -1.242 1.481 1.00 1.23 C ATOM 137 C LEU A 107 -8.792 -2.117 2.726 1.00 1.08 C ATOM 138 O LEU A 107 -7.831 -2.841 2.952 1.00 0.96 O ATOM 139 CB LEU A 107 -8.559 0.202 1.891 1.00 1.21 C ATOM 140 CG LEU A 107 -8.352 1.180 0.747 1.00 1.32 C ATOM 141 CD1 LEU A 107 -8.330 2.603 1.274 1.00 1.42 C ATOM 142 CD2 LEU A 107 -7.058 0.866 0.020 1.00 1.20 C ATOM 0 H LEU A 107 -10.634 -0.476 0.759 1.00 1.63 H new ATOM 0 HA LEU A 107 -8.054 -1.580 0.788 1.00 1.23 H new ATOM 0 HB2 LEU A 107 -9.397 0.549 2.495 1.00 1.21 H new ATOM 0 HB3 LEU A 107 -7.675 0.224 2.529 1.00 1.21 H new ATOM 0 HG LEU A 107 -9.179 1.082 0.044 1.00 1.32 H new ATOM 0 HD11 LEU A 107 -8.181 3.296 0.446 1.00 1.42 H new ATOM 0 HD12 LEU A 107 -9.278 2.824 1.766 1.00 1.42 H new ATOM 0 HD13 LEU A 107 -7.516 2.713 1.990 1.00 1.42 H new ATOM 0 HD21 LEU A 107 -6.919 1.573 -0.798 1.00 1.20 H new ATOM 0 HD22 LEU A 107 -6.222 0.946 0.715 1.00 1.20 H new ATOM 0 HD23 LEU A 107 -7.102 -0.147 -0.380 1.00 1.20 H new ATOM 154 N MET A 108 -9.859 -2.060 3.511 1.00 1.27 N ATOM 155 CA MET A 108 -9.938 -2.834 4.750 1.00 1.26 C ATOM 156 C MET A 108 -9.968 -4.335 4.468 1.00 1.17 C ATOM 157 O MET A 108 -9.425 -5.126 5.239 1.00 1.13 O ATOM 158 CB MET A 108 -11.158 -2.411 5.588 1.00 1.64 C ATOM 159 CG MET A 108 -12.507 -2.683 4.950 1.00 1.96 C ATOM 160 SD MET A 108 -13.887 -2.099 5.956 1.00 2.39 S ATOM 161 CE MET A 108 -13.558 -0.337 6.006 1.00 2.67 C ATOM 0 H MET A 108 -10.681 -1.489 3.316 1.00 1.27 H new ATOM 0 HA MET A 108 -9.038 -2.622 5.328 1.00 1.26 H new ATOM 0 HB2 MET A 108 -11.117 -2.928 6.547 1.00 1.64 H new ATOM 0 HB3 MET A 108 -11.082 -1.344 5.798 1.00 1.64 H new ATOM 0 HG2 MET A 108 -12.546 -2.201 3.973 1.00 1.96 H new ATOM 0 HG3 MET A 108 -12.614 -3.754 4.781 1.00 1.96 H new ATOM 0 HE1 MET A 108 -14.494 0.211 5.895 1.00 2.67 H new ATOM 0 HE2 MET A 108 -13.097 -0.080 6.960 1.00 2.67 H new ATOM 0 HE3 MET A 108 -12.883 -0.070 5.193 1.00 2.67 H new ATOM 171 N ALA A 109 -10.586 -4.726 3.358 1.00 1.27 N ATOM 172 CA ALA A 109 -10.646 -6.137 2.991 1.00 1.30 C ATOM 173 C ALA A 109 -9.270 -6.660 2.577 1.00 0.99 C ATOM 174 O ALA A 109 -8.838 -7.723 3.028 1.00 1.01 O ATOM 175 CB ALA A 109 -11.669 -6.357 1.886 1.00 1.60 C ATOM 0 H ALA A 109 -11.047 -4.094 2.704 1.00 1.27 H new ATOM 0 HA ALA A 109 -10.962 -6.702 3.868 1.00 1.30 H new ATOM 0 HB1 ALA A 109 -11.701 -7.415 1.625 1.00 1.60 H new ATOM 0 HB2 ALA A 109 -12.653 -6.039 2.232 1.00 1.60 H new ATOM 0 HB3 ALA A 109 -11.388 -5.775 1.009 1.00 1.60 H new ATOM 181 N GLU A 110 -8.582 -5.902 1.730 1.00 0.80 N ATOM 182 CA GLU A 110 -7.228 -6.273 1.319 1.00 0.62 C ATOM 183 C GLU A 110 -6.295 -6.200 2.528 1.00 0.45 C ATOM 184 O GLU A 110 -5.428 -7.044 2.724 1.00 0.55 O ATOM 185 CB GLU A 110 -6.720 -5.349 0.208 1.00 0.56 C ATOM 186 CG GLU A 110 -7.468 -5.493 -1.109 1.00 0.60 C ATOM 187 CD GLU A 110 -6.878 -4.624 -2.203 1.00 0.83 C ATOM 188 OE1 GLU A 110 -7.580 -4.331 -3.193 1.00 1.49 O ATOM 189 OE2 GLU A 110 -5.707 -4.222 -2.077 1.00 1.48 O ATOM 0 H GLU A 110 -8.932 -5.037 1.318 1.00 0.80 H new ATOM 0 HA GLU A 110 -7.246 -7.291 0.929 1.00 0.62 H new ATOM 0 HB2 GLU A 110 -6.797 -4.316 0.546 1.00 0.56 H new ATOM 0 HB3 GLU A 110 -5.663 -5.551 0.037 1.00 0.56 H new ATOM 0 HG2 GLU A 110 -7.446 -6.536 -1.425 1.00 0.60 H new ATOM 0 HG3 GLU A 110 -8.515 -5.227 -0.961 1.00 0.60 H new ATOM 196 N LYS A 111 -6.531 -5.175 3.329 1.00 0.41 N ATOM 197 CA LYS A 111 -5.743 -4.974 4.541 1.00 0.46 C ATOM 198 C LYS A 111 -5.842 -6.181 5.477 1.00 0.47 C ATOM 199 O LYS A 111 -4.833 -6.688 5.958 1.00 0.52 O ATOM 200 CB LYS A 111 -6.196 -3.702 5.256 1.00 0.63 C ATOM 201 CG LYS A 111 -5.678 -3.571 6.673 1.00 0.79 C ATOM 202 CD LYS A 111 -6.237 -2.330 7.340 1.00 0.89 C ATOM 203 CE LYS A 111 -5.793 -2.198 8.785 1.00 1.15 C ATOM 204 NZ LYS A 111 -6.160 -3.385 9.604 1.00 1.89 N ATOM 0 H LYS A 111 -7.254 -4.473 3.168 1.00 0.41 H new ATOM 0 HA LYS A 111 -4.698 -4.865 4.252 1.00 0.46 H new ATOM 0 HB2 LYS A 111 -5.868 -2.837 4.679 1.00 0.63 H new ATOM 0 HB3 LYS A 111 -7.286 -3.677 5.275 1.00 0.63 H new ATOM 0 HG2 LYS A 111 -5.955 -4.454 7.249 1.00 0.79 H new ATOM 0 HG3 LYS A 111 -4.589 -3.525 6.664 1.00 0.79 H new ATOM 0 HD2 LYS A 111 -5.920 -1.448 6.784 1.00 0.89 H new ATOM 0 HD3 LYS A 111 -7.326 -2.358 7.299 1.00 0.89 H new ATOM 0 HE2 LYS A 111 -4.713 -2.057 8.818 1.00 1.15 H new ATOM 0 HE3 LYS A 111 -6.244 -1.306 9.220 1.00 1.15 H new ATOM 0 HZ1 LYS A 111 -6.055 -3.157 10.613 1.00 1.89 H new ATOM 0 HZ2 LYS A 111 -7.147 -3.649 9.410 1.00 1.89 H new ATOM 0 HZ3 LYS A 111 -5.535 -4.180 9.362 1.00 1.89 H new ATOM 218 N ASP A 112 -7.054 -6.645 5.729 1.00 0.49 N ATOM 219 CA ASP A 112 -7.259 -7.760 6.649 1.00 0.58 C ATOM 220 C ASP A 112 -6.721 -9.068 6.069 1.00 0.53 C ATOM 221 O ASP A 112 -6.238 -9.933 6.804 1.00 0.63 O ATOM 222 CB ASP A 112 -8.746 -7.906 6.978 1.00 0.72 C ATOM 223 CG ASP A 112 -9.015 -8.988 8.009 1.00 2.65 C ATOM 224 OD1 ASP A 112 -9.408 -10.108 7.620 1.00 3.03 O ATOM 225 OD2 ASP A 112 -8.844 -8.715 9.218 1.00 3.08 O ATOM 0 H ASP A 112 -7.908 -6.273 5.315 1.00 0.49 H new ATOM 0 HA ASP A 112 -6.707 -7.544 7.564 1.00 0.58 H new ATOM 0 HB2 ASP A 112 -9.127 -6.954 7.348 1.00 0.72 H new ATOM 0 HB3 ASP A 112 -9.295 -8.136 6.065 1.00 0.72 H new ATOM 230 N SER A 113 -6.774 -9.192 4.750 1.00 0.44 N ATOM 231 CA SER A 113 -6.423 -10.438 4.078 1.00 0.43 C ATOM 232 C SER A 113 -4.944 -10.501 3.689 1.00 0.35 C ATOM 233 O SER A 113 -4.430 -11.572 3.357 1.00 0.40 O ATOM 234 CB SER A 113 -7.285 -10.594 2.831 1.00 0.44 C ATOM 235 OG SER A 113 -8.664 -10.572 3.161 1.00 0.55 O ATOM 0 H SER A 113 -7.058 -8.441 4.120 1.00 0.44 H new ATOM 0 HA SER A 113 -6.606 -11.252 4.779 1.00 0.43 H new ATOM 0 HB2 SER A 113 -7.063 -9.791 2.128 1.00 0.44 H new ATOM 0 HB3 SER A 113 -7.042 -11.532 2.331 1.00 0.44 H new ATOM 0 HG SER A 113 -8.981 -9.645 3.182 1.00 0.55 H new ATOM 241 N LEU A 114 -4.270 -9.363 3.723 1.00 0.27 N ATOM 242 CA LEU A 114 -2.887 -9.278 3.271 1.00 0.23 C ATOM 243 C LEU A 114 -1.942 -9.895 4.299 1.00 0.27 C ATOM 244 O LEU A 114 -2.161 -9.786 5.508 1.00 0.31 O ATOM 245 CB LEU A 114 -2.522 -7.816 3.023 1.00 0.17 C ATOM 246 CG LEU A 114 -1.301 -7.576 2.128 1.00 0.14 C ATOM 247 CD1 LEU A 114 -1.655 -7.776 0.660 1.00 0.14 C ATOM 248 CD2 LEU A 114 -0.751 -6.182 2.349 1.00 0.16 C ATOM 0 H LEU A 114 -4.658 -8.482 4.060 1.00 0.27 H new ATOM 0 HA LEU A 114 -2.784 -9.838 2.342 1.00 0.23 H new ATOM 0 HB2 LEU A 114 -3.381 -7.318 2.574 1.00 0.17 H new ATOM 0 HB3 LEU A 114 -2.343 -7.337 3.986 1.00 0.17 H new ATOM 0 HG LEU A 114 -0.535 -8.303 2.397 1.00 0.14 H new ATOM 0 HD11 LEU A 114 -0.772 -7.600 0.046 1.00 0.14 H new ATOM 0 HD12 LEU A 114 -2.007 -8.796 0.506 1.00 0.14 H new ATOM 0 HD13 LEU A 114 -2.440 -7.075 0.376 1.00 0.14 H new ATOM 0 HD21 LEU A 114 0.116 -6.027 1.706 1.00 0.16 H new ATOM 0 HD22 LEU A 114 -1.518 -5.446 2.108 1.00 0.16 H new ATOM 0 HD23 LEU A 114 -0.454 -6.069 3.392 1.00 0.16 H new ATOM 260 N ASP A 115 -0.898 -10.549 3.807 1.00 0.29 N ATOM 261 CA ASP A 115 0.068 -11.226 4.666 1.00 0.34 C ATOM 262 C ASP A 115 0.937 -10.205 5.398 1.00 0.33 C ATOM 263 O ASP A 115 1.461 -9.269 4.788 1.00 0.29 O ATOM 264 CB ASP A 115 0.947 -12.163 3.833 1.00 0.37 C ATOM 265 CG ASP A 115 1.797 -13.084 4.687 1.00 0.49 C ATOM 266 OD1 ASP A 115 1.455 -14.280 4.794 1.00 1.23 O ATOM 267 OD2 ASP A 115 2.810 -12.625 5.249 1.00 1.21 O ATOM 0 H ASP A 115 -0.697 -10.626 2.810 1.00 0.29 H new ATOM 0 HA ASP A 115 -0.476 -11.814 5.405 1.00 0.34 H new ATOM 0 HB2 ASP A 115 0.314 -12.763 3.179 1.00 0.37 H new ATOM 0 HB3 ASP A 115 1.596 -11.569 3.190 1.00 0.37 H new ATOM 272 N PRO A 116 1.106 -10.380 6.721 1.00 0.41 N ATOM 273 CA PRO A 116 1.838 -9.433 7.576 1.00 0.46 C ATOM 274 C PRO A 116 3.319 -9.311 7.224 1.00 0.42 C ATOM 275 O PRO A 116 3.981 -8.363 7.648 1.00 0.47 O ATOM 276 CB PRO A 116 1.674 -10.017 8.983 1.00 0.55 C ATOM 277 CG PRO A 116 1.392 -11.460 8.761 1.00 0.55 C ATOM 278 CD PRO A 116 0.591 -11.523 7.496 1.00 0.50 C ATOM 0 HA PRO A 116 1.447 -8.422 7.462 1.00 0.46 H new ATOM 0 HB2 PRO A 116 2.576 -9.877 9.578 1.00 0.55 H new ATOM 0 HB3 PRO A 116 0.859 -9.532 9.521 1.00 0.55 H new ATOM 0 HG2 PRO A 116 2.316 -12.031 8.669 1.00 0.55 H new ATOM 0 HG3 PRO A 116 0.837 -11.885 9.598 1.00 0.55 H new ATOM 0 HD2 PRO A 116 0.739 -12.467 6.971 1.00 0.50 H new ATOM 0 HD3 PRO A 116 -0.478 -11.431 7.690 1.00 0.50 H new ATOM 286 N SER A 117 3.839 -10.274 6.468 1.00 0.36 N ATOM 287 CA SER A 117 5.237 -10.250 6.050 1.00 0.37 C ATOM 288 C SER A 117 5.528 -9.006 5.210 1.00 0.38 C ATOM 289 O SER A 117 6.671 -8.542 5.137 1.00 0.56 O ATOM 290 CB SER A 117 5.574 -11.515 5.258 1.00 0.37 C ATOM 291 OG SER A 117 6.967 -11.636 5.031 1.00 1.30 O ATOM 0 H SER A 117 3.313 -11.081 6.132 1.00 0.36 H new ATOM 0 HA SER A 117 5.863 -10.216 6.942 1.00 0.37 H new ATOM 0 HB2 SER A 117 5.216 -12.390 5.801 1.00 0.37 H new ATOM 0 HB3 SER A 117 5.050 -11.496 4.302 1.00 0.37 H new ATOM 0 HG SER A 117 7.146 -12.455 4.524 1.00 1.30 H new ATOM 297 N PHE A 118 4.486 -8.456 4.597 1.00 0.28 N ATOM 298 CA PHE A 118 4.622 -7.256 3.791 1.00 0.32 C ATOM 299 C PHE A 118 4.321 -6.038 4.644 1.00 0.44 C ATOM 300 O PHE A 118 3.203 -5.527 4.645 1.00 0.94 O ATOM 301 CB PHE A 118 3.680 -7.302 2.587 1.00 0.27 C ATOM 302 CG PHE A 118 3.850 -8.528 1.742 1.00 0.23 C ATOM 303 CD1 PHE A 118 3.204 -9.706 2.076 1.00 1.22 C ATOM 304 CD2 PHE A 118 4.653 -8.504 0.617 1.00 1.21 C ATOM 305 CE1 PHE A 118 3.355 -10.837 1.303 1.00 1.21 C ATOM 306 CE2 PHE A 118 4.808 -9.631 -0.163 1.00 1.23 C ATOM 307 CZ PHE A 118 4.159 -10.801 0.179 1.00 0.28 C ATOM 0 H PHE A 118 3.537 -8.826 4.645 1.00 0.28 H new ATOM 0 HA PHE A 118 5.645 -7.195 3.419 1.00 0.32 H new ATOM 0 HB2 PHE A 118 2.650 -7.253 2.940 1.00 0.27 H new ATOM 0 HB3 PHE A 118 3.848 -6.419 1.970 1.00 0.27 H new ATOM 0 HD1 PHE A 118 2.574 -9.739 2.953 1.00 1.22 H new ATOM 0 HD2 PHE A 118 5.165 -7.592 0.346 1.00 1.21 H new ATOM 0 HE1 PHE A 118 2.846 -11.750 1.575 1.00 1.21 H new ATOM 0 HE2 PHE A 118 5.437 -9.598 -1.041 1.00 1.23 H new ATOM 0 HZ PHE A 118 4.279 -11.685 -0.430 1.00 0.28 H new ATOM 317 N THR A 119 5.330 -5.584 5.367 1.00 0.39 N ATOM 318 CA THR A 119 5.177 -4.492 6.308 1.00 0.39 C ATOM 319 C THR A 119 4.673 -3.222 5.629 1.00 0.42 C ATOM 320 O THR A 119 3.695 -2.618 6.065 1.00 0.45 O ATOM 321 CB THR A 119 6.511 -4.192 7.009 1.00 0.44 C ATOM 322 OG1 THR A 119 6.944 -5.347 7.741 1.00 0.48 O ATOM 323 CG2 THR A 119 6.378 -2.998 7.943 1.00 0.45 C ATOM 0 H THR A 119 6.276 -5.962 5.317 1.00 0.39 H new ATOM 0 HA THR A 119 4.436 -4.808 7.043 1.00 0.39 H new ATOM 0 HB THR A 119 7.254 -3.947 6.250 1.00 0.44 H new ATOM 0 HG1 THR A 119 7.796 -5.152 8.185 1.00 0.48 H new ATOM 0 HG21 THR A 119 7.336 -2.806 8.427 1.00 0.45 H new ATOM 0 HG22 THR A 119 6.078 -2.120 7.371 1.00 0.45 H new ATOM 0 HG23 THR A 119 5.625 -3.211 8.701 1.00 0.45 H new ATOM 331 N HIS A 120 5.340 -2.827 4.558 1.00 0.44 N ATOM 332 CA HIS A 120 5.041 -1.568 3.896 1.00 0.51 C ATOM 333 C HIS A 120 3.702 -1.628 3.181 1.00 0.47 C ATOM 334 O HIS A 120 2.924 -0.678 3.234 1.00 0.57 O ATOM 335 CB HIS A 120 6.162 -1.204 2.934 1.00 0.60 C ATOM 336 CG HIS A 120 7.488 -1.106 3.613 1.00 0.92 C ATOM 337 ND1 HIS A 120 7.723 -0.282 4.691 1.00 1.09 N ATOM 338 CD2 HIS A 120 8.640 -1.771 3.394 1.00 1.19 C ATOM 339 CE1 HIS A 120 8.960 -0.453 5.106 1.00 1.40 C ATOM 340 NE2 HIS A 120 9.542 -1.351 4.339 1.00 1.47 N ATOM 0 H HIS A 120 6.094 -3.361 4.127 1.00 0.44 H new ATOM 0 HA HIS A 120 4.969 -0.788 4.654 1.00 0.51 H new ATOM 0 HB2 HIS A 120 6.216 -1.953 2.144 1.00 0.60 H new ATOM 0 HB3 HIS A 120 5.931 -0.252 2.455 1.00 0.60 H new ATOM 0 HD1 HIS A 120 7.045 0.360 5.103 1.00 1.09 H new ATOM 0 HD2 HIS A 120 8.820 -2.500 2.618 1.00 1.19 H new ATOM 0 HE1 HIS A 120 9.421 0.058 5.938 1.00 1.40 H new ATOM 349 N ALA A 121 3.436 -2.749 2.520 1.00 0.37 N ATOM 350 CA ALA A 121 2.148 -2.975 1.871 1.00 0.34 C ATOM 351 C ALA A 121 1.022 -2.896 2.889 1.00 0.38 C ATOM 352 O ALA A 121 -0.029 -2.309 2.639 1.00 0.47 O ATOM 353 CB ALA A 121 2.140 -4.327 1.182 1.00 0.27 C ATOM 0 H ALA A 121 4.097 -3.519 2.419 1.00 0.37 H new ATOM 0 HA ALA A 121 1.993 -2.199 1.122 1.00 0.34 H new ATOM 0 HB1 ALA A 121 1.174 -4.485 0.701 1.00 0.27 H new ATOM 0 HB2 ALA A 121 2.929 -4.357 0.430 1.00 0.27 H new ATOM 0 HB3 ALA A 121 2.311 -5.112 1.919 1.00 0.27 H new ATOM 359 N MET A 122 1.283 -3.464 4.051 1.00 0.35 N ATOM 360 CA MET A 122 0.331 -3.453 5.146 1.00 0.34 C ATOM 361 C MET A 122 0.192 -2.049 5.728 1.00 0.39 C ATOM 362 O MET A 122 -0.904 -1.616 6.088 1.00 0.41 O ATOM 363 CB MET A 122 0.772 -4.445 6.224 1.00 0.37 C ATOM 364 CG MET A 122 0.412 -5.889 5.918 1.00 0.38 C ATOM 365 SD MET A 122 -1.223 -6.355 6.528 1.00 0.49 S ATOM 366 CE MET A 122 -2.273 -5.170 5.695 1.00 0.63 C ATOM 0 H MET A 122 2.158 -3.944 4.262 1.00 0.35 H new ATOM 0 HA MET A 122 -0.645 -3.755 4.767 1.00 0.34 H new ATOM 0 HB2 MET A 122 1.852 -4.370 6.353 1.00 0.37 H new ATOM 0 HB3 MET A 122 0.317 -4.161 7.173 1.00 0.37 H new ATOM 0 HG2 MET A 122 0.450 -6.046 4.840 1.00 0.38 H new ATOM 0 HG3 MET A 122 1.160 -6.546 6.362 1.00 0.38 H new ATOM 0 HE1 MET A 122 -3.317 -5.385 5.923 1.00 0.63 H new ATOM 0 HE2 MET A 122 -2.027 -4.164 6.035 1.00 0.63 H new ATOM 0 HE3 MET A 122 -2.115 -5.238 4.619 1.00 0.63 H new ATOM 376 N GLN A 123 1.310 -1.342 5.797 1.00 0.44 N ATOM 377 CA GLN A 123 1.323 0.020 6.319 1.00 0.53 C ATOM 378 C GLN A 123 0.589 0.979 5.385 1.00 0.54 C ATOM 379 O GLN A 123 -0.208 1.797 5.838 1.00 0.62 O ATOM 380 CB GLN A 123 2.762 0.488 6.569 1.00 0.65 C ATOM 381 CG GLN A 123 2.920 1.998 6.658 1.00 0.83 C ATOM 382 CD GLN A 123 4.372 2.434 6.629 1.00 1.12 C ATOM 383 OE1 GLN A 123 5.027 2.532 7.664 1.00 1.60 O ATOM 384 NE2 GLN A 123 4.881 2.707 5.439 1.00 1.76 N ATOM 0 H GLN A 123 2.222 -1.688 5.498 1.00 0.44 H new ATOM 0 HA GLN A 123 0.793 0.021 7.272 1.00 0.53 H new ATOM 0 HB2 GLN A 123 3.122 0.041 7.496 1.00 0.65 H new ATOM 0 HB3 GLN A 123 3.398 0.114 5.767 1.00 0.65 H new ATOM 0 HG2 GLN A 123 2.387 2.465 5.829 1.00 0.83 H new ATOM 0 HG3 GLN A 123 2.455 2.355 7.577 1.00 0.83 H new ATOM 0 HE21 GLN A 123 4.303 2.613 4.604 1.00 1.76 H new ATOM 0 HE22 GLN A 123 5.851 3.012 5.357 1.00 1.76 H new ATOM 393 N LEU A 124 0.834 0.873 4.089 1.00 0.49 N ATOM 394 CA LEU A 124 0.217 1.784 3.135 1.00 0.50 C ATOM 395 C LEU A 124 -1.295 1.566 3.076 1.00 0.45 C ATOM 396 O LEU A 124 -2.063 2.517 2.923 1.00 0.52 O ATOM 397 CB LEU A 124 0.882 1.650 1.769 1.00 0.50 C ATOM 398 CG LEU A 124 2.367 2.022 1.757 1.00 0.56 C ATOM 399 CD1 LEU A 124 3.042 1.489 0.505 1.00 0.49 C ATOM 400 CD2 LEU A 124 2.535 3.531 1.849 1.00 0.83 C ATOM 0 H LEU A 124 1.449 0.173 3.675 1.00 0.49 H new ATOM 0 HA LEU A 124 0.372 2.810 3.469 1.00 0.50 H new ATOM 0 HB2 LEU A 124 0.773 0.622 1.423 1.00 0.50 H new ATOM 0 HB3 LEU A 124 0.354 2.284 1.056 1.00 0.50 H new ATOM 0 HG LEU A 124 2.843 1.565 2.624 1.00 0.56 H new ATOM 0 HD11 LEU A 124 4.097 1.764 0.515 1.00 0.49 H new ATOM 0 HD12 LEU A 124 2.950 0.403 0.476 1.00 0.49 H new ATOM 0 HD13 LEU A 124 2.564 1.917 -0.376 1.00 0.49 H new ATOM 0 HD21 LEU A 124 3.596 3.780 1.839 1.00 0.83 H new ATOM 0 HD22 LEU A 124 2.043 4.004 0.999 1.00 0.83 H new ATOM 0 HD23 LEU A 124 2.086 3.891 2.775 1.00 0.83 H new ATOM 412 N LEU A 125 -1.711 0.310 3.224 1.00 0.37 N ATOM 413 CA LEU A 125 -3.131 -0.021 3.307 1.00 0.35 C ATOM 414 C LEU A 125 -3.730 0.604 4.557 1.00 0.46 C ATOM 415 O LEU A 125 -4.855 1.096 4.541 1.00 0.52 O ATOM 416 CB LEU A 125 -3.337 -1.536 3.356 1.00 0.28 C ATOM 417 CG LEU A 125 -3.306 -2.262 2.017 1.00 0.25 C ATOM 418 CD1 LEU A 125 -3.265 -3.759 2.255 1.00 0.21 C ATOM 419 CD2 LEU A 125 -4.529 -1.899 1.190 1.00 0.33 C ATOM 0 H LEU A 125 -1.086 -0.494 3.289 1.00 0.37 H new ATOM 0 HA LEU A 125 -3.625 0.372 2.419 1.00 0.35 H new ATOM 0 HB2 LEU A 125 -2.567 -1.966 3.997 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -4.297 -1.736 3.832 1.00 0.28 H new ATOM 0 HG LEU A 125 -2.415 -1.958 1.468 1.00 0.25 H new ATOM 0 HD11 LEU A 125 -3.243 -4.279 1.297 1.00 0.21 H new ATOM 0 HD12 LEU A 125 -2.372 -4.012 2.826 1.00 0.21 H new ATOM 0 HD13 LEU A 125 -4.151 -4.063 2.813 1.00 0.21 H new ATOM 0 HD21 LEU A 125 -4.493 -2.425 0.236 1.00 0.33 H new ATOM 0 HD22 LEU A 125 -5.431 -2.187 1.729 1.00 0.33 H new ATOM 0 HD23 LEU A 125 -4.541 -0.824 1.011 1.00 0.33 H new ATOM 431 N THR A 126 -2.955 0.592 5.629 1.00 0.55 N ATOM 432 CA THR A 126 -3.425 1.125 6.893 1.00 0.74 C ATOM 433 C THR A 126 -3.624 2.635 6.788 1.00 0.92 C ATOM 434 O THR A 126 -4.669 3.170 7.163 1.00 1.07 O ATOM 435 CB THR A 126 -2.427 0.811 8.028 1.00 0.81 C ATOM 436 OG1 THR A 126 -2.294 -0.612 8.184 1.00 0.86 O ATOM 437 CG2 THR A 126 -2.873 1.440 9.340 1.00 0.91 C ATOM 0 H THR A 126 -2.005 0.222 5.648 1.00 0.55 H new ATOM 0 HA THR A 126 -4.378 0.651 7.126 1.00 0.74 H new ATOM 0 HB THR A 126 -1.460 1.237 7.759 1.00 0.81 H new ATOM 0 HG1 THR A 126 -1.893 -0.994 7.376 1.00 0.86 H new ATOM 0 HG21 THR A 126 -2.151 1.202 10.121 1.00 0.91 H new ATOM 0 HG22 THR A 126 -2.937 2.522 9.222 1.00 0.91 H new ATOM 0 HG23 THR A 126 -3.851 1.047 9.618 1.00 0.91 H new ATOM 445 N ALA A 127 -2.618 3.299 6.229 1.00 0.96 N ATOM 446 CA ALA A 127 -2.606 4.752 6.131 1.00 1.09 C ATOM 447 C ALA A 127 -3.740 5.286 5.261 1.00 1.18 C ATOM 448 O ALA A 127 -4.399 6.263 5.618 1.00 1.38 O ATOM 449 CB ALA A 127 -1.265 5.215 5.584 1.00 1.18 C ATOM 0 H ALA A 127 -1.793 2.848 5.834 1.00 0.96 H new ATOM 0 HA ALA A 127 -2.758 5.151 7.134 1.00 1.09 H new ATOM 0 HB1 ALA A 127 -1.258 6.303 5.511 1.00 1.18 H new ATOM 0 HB2 ALA A 127 -0.468 4.891 6.253 1.00 1.18 H new ATOM 0 HB3 ALA A 127 -1.107 4.784 4.595 1.00 1.18 H new ATOM 455 N GLU A 128 -3.952 4.656 4.106 1.00 1.13 N ATOM 456 CA GLU A 128 -4.980 5.102 3.168 1.00 1.31 C ATOM 457 C GLU A 128 -6.367 5.015 3.800 1.00 1.38 C ATOM 458 O GLU A 128 -7.228 5.862 3.565 1.00 1.61 O ATOM 459 CB GLU A 128 -4.938 4.265 1.895 1.00 1.35 C ATOM 460 CG GLU A 128 -5.709 4.874 0.734 1.00 1.47 C ATOM 461 CD GLU A 128 -5.077 6.149 0.206 1.00 1.46 C ATOM 462 OE1 GLU A 128 -3.913 6.429 0.548 1.00 2.02 O ATOM 463 OE2 GLU A 128 -5.744 6.873 -0.569 1.00 1.95 O ATOM 0 H GLU A 128 -3.427 3.837 3.798 1.00 1.13 H new ATOM 0 HA GLU A 128 -4.777 6.143 2.916 1.00 1.31 H new ATOM 0 HB2 GLU A 128 -3.899 4.127 1.596 1.00 1.35 H new ATOM 0 HB3 GLU A 128 -5.342 3.276 2.108 1.00 1.35 H new ATOM 0 HG2 GLU A 128 -5.773 4.145 -0.074 1.00 1.47 H new ATOM 0 HG3 GLU A 128 -6.729 5.086 1.054 1.00 1.47 H new ATOM 470 N ILE A 129 -6.570 3.987 4.608 1.00 1.24 N ATOM 471 CA ILE A 129 -7.825 3.830 5.327 1.00 1.42 C ATOM 472 C ILE A 129 -8.009 4.959 6.334 1.00 1.64 C ATOM 473 O ILE A 129 -9.099 5.521 6.461 1.00 1.92 O ATOM 474 CB ILE A 129 -7.909 2.465 6.032 1.00 1.32 C ATOM 475 CG1 ILE A 129 -7.927 1.361 4.981 1.00 1.14 C ATOM 476 CG2 ILE A 129 -9.146 2.384 6.920 1.00 1.59 C ATOM 477 CD1 ILE A 129 -7.819 -0.027 5.552 1.00 1.01 C ATOM 0 H ILE A 129 -5.885 3.251 4.782 1.00 1.24 H new ATOM 0 HA ILE A 129 -8.631 3.875 4.594 1.00 1.42 H new ATOM 0 HB ILE A 129 -7.037 2.340 6.674 1.00 1.32 H new ATOM 0 HG12 ILE A 129 -8.850 1.436 4.406 1.00 1.14 H new ATOM 0 HG13 ILE A 129 -7.104 1.522 4.285 1.00 1.14 H new ATOM 0 HG21 ILE A 129 -9.181 1.409 7.407 1.00 1.59 H new ATOM 0 HG22 ILE A 129 -9.102 3.166 7.678 1.00 1.59 H new ATOM 0 HG23 ILE A 129 -10.040 2.518 6.311 1.00 1.59 H new ATOM 0 HD11 ILE A 129 -7.839 -0.756 4.742 1.00 1.01 H new ATOM 0 HD12 ILE A 129 -6.883 -0.122 6.103 1.00 1.01 H new ATOM 0 HD13 ILE A 129 -8.657 -0.210 6.225 1.00 1.01 H new ATOM 679 N LEU B 104 12.992 2.308 -0.167 1.00 2.70 N ATOM 680 CA LEU B 104 12.614 2.113 -1.562 1.00 2.55 C ATOM 681 C LEU B 104 12.713 0.639 -2.000 1.00 2.53 C ATOM 682 O LEU B 104 11.731 0.080 -2.493 1.00 2.25 O ATOM 683 CB LEU B 104 13.479 3.007 -2.459 1.00 2.85 C ATOM 684 CG LEU B 104 13.250 2.856 -3.964 1.00 2.83 C ATOM 685 CD1 LEU B 104 11.805 3.160 -4.319 1.00 2.46 C ATOM 686 CD2 LEU B 104 14.191 3.767 -4.736 1.00 3.18 C ATOM 0 HA LEU B 104 11.567 2.396 -1.665 1.00 2.55 H new ATOM 0 HB2 LEU B 104 13.300 4.047 -2.185 1.00 2.85 H new ATOM 0 HB3 LEU B 104 14.527 2.798 -2.247 1.00 2.85 H new ATOM 0 HG LEU B 104 13.460 1.823 -4.243 1.00 2.83 H new ATOM 0 HD11 LEU B 104 11.663 3.047 -5.394 1.00 2.46 H new ATOM 0 HD12 LEU B 104 11.148 2.469 -3.791 1.00 2.46 H new ATOM 0 HD13 LEU B 104 11.566 4.183 -4.027 1.00 2.46 H new ATOM 0 HD21 LEU B 104 14.016 3.648 -5.805 1.00 3.18 H new ATOM 0 HD22 LEU B 104 14.009 4.803 -4.451 1.00 3.18 H new ATOM 0 HD23 LEU B 104 15.223 3.503 -4.506 1.00 3.18 H new ATOM 698 N PRO B 105 13.885 -0.021 -1.841 1.00 2.88 N ATOM 699 CA PRO B 105 14.044 -1.433 -2.224 1.00 2.95 C ATOM 700 C PRO B 105 13.109 -2.351 -1.437 1.00 2.65 C ATOM 701 O PRO B 105 12.714 -3.417 -1.915 1.00 2.62 O ATOM 702 CB PRO B 105 15.509 -1.737 -1.901 1.00 3.43 C ATOM 703 CG PRO B 105 15.882 -0.708 -0.894 1.00 3.51 C ATOM 704 CD PRO B 105 15.139 0.528 -1.299 1.00 3.28 C ATOM 0 HA PRO B 105 13.792 -1.603 -3.271 1.00 2.95 H new ATOM 0 HB2 PRO B 105 15.628 -2.745 -1.503 1.00 3.43 H new ATOM 0 HB3 PRO B 105 16.135 -1.669 -2.791 1.00 3.43 H new ATOM 0 HG2 PRO B 105 15.604 -1.023 0.112 1.00 3.51 H new ATOM 0 HG3 PRO B 105 16.958 -0.536 -0.888 1.00 3.51 H new ATOM 0 HD2 PRO B 105 14.960 1.190 -0.452 1.00 3.28 H new ATOM 0 HD3 PRO B 105 15.686 1.105 -2.045 1.00 3.28 H new ATOM 712 N GLU B 106 12.767 -1.936 -0.229 1.00 2.53 N ATOM 713 CA GLU B 106 11.801 -2.660 0.577 1.00 2.35 C ATOM 714 C GLU B 106 10.447 -2.691 -0.124 1.00 1.89 C ATOM 715 O GLU B 106 9.792 -3.729 -0.201 1.00 1.84 O ATOM 716 CB GLU B 106 11.644 -1.979 1.932 1.00 2.43 C ATOM 717 CG GLU B 106 12.919 -1.934 2.755 1.00 2.88 C ATOM 718 CD GLU B 106 13.410 -3.302 3.175 1.00 3.33 C ATOM 719 OE1 GLU B 106 13.321 -3.614 4.377 1.00 3.62 O ATOM 720 OE2 GLU B 106 13.892 -4.066 2.316 1.00 3.71 O ATOM 0 H GLU B 106 13.145 -1.099 0.215 1.00 2.53 H new ATOM 0 HA GLU B 106 12.160 -3.680 0.716 1.00 2.35 H new ATOM 0 HB2 GLU B 106 11.289 -0.960 1.776 1.00 2.43 H new ATOM 0 HB3 GLU B 106 10.875 -2.500 2.502 1.00 2.43 H new ATOM 0 HG2 GLU B 106 13.699 -1.438 2.177 1.00 2.88 H new ATOM 0 HG3 GLU B 106 12.747 -1.328 3.645 1.00 2.88 H new ATOM 727 N LEU B 107 10.048 -1.536 -0.644 1.00 1.63 N ATOM 728 CA LEU B 107 8.769 -1.401 -1.328 1.00 1.23 C ATOM 729 C LEU B 107 8.720 -2.265 -2.578 1.00 1.08 C ATOM 730 O LEU B 107 7.746 -2.967 -2.814 1.00 0.96 O ATOM 731 CB LEU B 107 8.530 0.049 -1.726 1.00 1.21 C ATOM 732 CG LEU B 107 8.345 1.021 -0.571 1.00 1.31 C ATOM 733 CD1 LEU B 107 8.349 2.449 -1.081 1.00 1.42 C ATOM 734 CD2 LEU B 107 7.047 0.728 0.156 1.00 1.19 C ATOM 0 H LEU B 107 10.595 -0.676 -0.604 1.00 1.63 H new ATOM 0 HA LEU B 107 7.993 -1.729 -0.636 1.00 1.23 H new ATOM 0 HB2 LEU B 107 9.372 0.386 -2.330 1.00 1.21 H new ATOM 0 HB3 LEU B 107 7.645 0.093 -2.361 1.00 1.21 H new ATOM 0 HG LEU B 107 9.173 0.897 0.127 1.00 1.31 H new ATOM 0 HD11 LEU B 107 8.216 3.135 -0.244 1.00 1.42 H new ATOM 0 HD12 LEU B 107 9.299 2.657 -1.573 1.00 1.42 H new ATOM 0 HD13 LEU B 107 7.535 2.583 -1.793 1.00 1.42 H new ATOM 0 HD21 LEU B 107 6.925 1.430 0.981 1.00 1.19 H new ATOM 0 HD22 LEU B 107 6.211 0.832 -0.536 1.00 1.19 H new ATOM 0 HD23 LEU B 107 7.070 -0.290 0.546 1.00 1.19 H new ATOM 746 N MET B 108 9.789 -2.221 -3.363 1.00 1.26 N ATOM 747 CA MET B 108 9.854 -2.982 -4.608 1.00 1.26 C ATOM 748 C MET B 108 9.855 -4.487 -4.340 1.00 1.17 C ATOM 749 O MET B 108 9.304 -5.259 -5.123 1.00 1.13 O ATOM 750 CB MET B 108 11.079 -2.576 -5.445 1.00 1.64 C ATOM 751 CG MET B 108 12.425 -2.876 -4.811 1.00 1.96 C ATOM 752 SD MET B 108 13.814 -2.307 -5.813 1.00 2.39 S ATOM 753 CE MET B 108 13.519 -0.539 -5.844 1.00 2.67 C ATOM 0 H MET B 108 10.622 -1.668 -3.162 1.00 1.26 H new ATOM 0 HA MET B 108 8.959 -2.745 -5.183 1.00 1.26 H new ATOM 0 HB2 MET B 108 11.027 -3.086 -6.407 1.00 1.64 H new ATOM 0 HB3 MET B 108 11.022 -1.507 -5.648 1.00 1.64 H new ATOM 0 HG2 MET B 108 12.473 -2.403 -3.830 1.00 1.96 H new ATOM 0 HG3 MET B 108 12.515 -3.950 -4.651 1.00 1.96 H new ATOM 0 HE1 MET B 108 14.467 -0.010 -5.747 1.00 2.67 H new ATOM 0 HE2 MET B 108 13.046 -0.266 -6.787 1.00 2.67 H new ATOM 0 HE3 MET B 108 12.864 -0.265 -5.017 1.00 2.67 H new ATOM 763 N ALA B 109 10.467 -4.900 -3.234 1.00 1.27 N ATOM 764 CA ALA B 109 10.499 -6.315 -2.882 1.00 1.30 C ATOM 765 C ALA B 109 9.114 -6.812 -2.471 1.00 0.99 C ATOM 766 O ALA B 109 8.658 -7.859 -2.938 1.00 1.01 O ATOM 767 CB ALA B 109 11.520 -6.570 -1.781 1.00 1.60 C ATOM 0 H ALA B 109 10.942 -4.284 -2.574 1.00 1.27 H new ATOM 0 HA ALA B 109 10.803 -6.877 -3.765 1.00 1.30 H new ATOM 0 HB1 ALA B 109 11.529 -7.631 -1.532 1.00 1.60 H new ATOM 0 HB2 ALA B 109 12.509 -6.269 -2.126 1.00 1.60 H new ATOM 0 HB3 ALA B 109 11.253 -5.992 -0.896 1.00 1.60 H new ATOM 773 N GLU B 110 8.442 -6.049 -1.615 1.00 0.80 N ATOM 774 CA GLU B 110 7.080 -6.402 -1.208 1.00 0.62 C ATOM 775 C GLU B 110 6.148 -6.301 -2.416 1.00 0.45 C ATOM 776 O GLU B 110 5.265 -7.123 -2.619 1.00 0.54 O ATOM 777 CB GLU B 110 6.586 -5.480 -0.089 1.00 0.56 C ATOM 778 CG GLU B 110 7.330 -5.646 1.227 1.00 0.60 C ATOM 779 CD GLU B 110 6.757 -4.775 2.328 1.00 0.83 C ATOM 780 OE1 GLU B 110 7.465 -4.518 3.327 1.00 1.49 O ATOM 781 OE2 GLU B 110 5.596 -4.337 2.202 1.00 1.48 O ATOM 0 H GLU B 110 8.808 -5.195 -1.194 1.00 0.80 H new ATOM 0 HA GLU B 110 7.082 -7.424 -0.829 1.00 0.62 H new ATOM 0 HB2 GLU B 110 6.679 -4.445 -0.418 1.00 0.56 H new ATOM 0 HB3 GLU B 110 5.525 -5.667 0.080 1.00 0.56 H new ATOM 0 HG2 GLU B 110 7.289 -6.691 1.535 1.00 0.60 H new ATOM 0 HG3 GLU B 110 8.381 -5.398 1.081 1.00 0.60 H new ATOM 788 N LYS B 111 6.401 -5.273 -3.206 1.00 0.41 N ATOM 789 CA LYS B 111 5.619 -5.048 -4.414 1.00 0.46 C ATOM 790 C LYS B 111 5.692 -6.251 -5.356 1.00 0.47 C ATOM 791 O LYS B 111 4.670 -6.747 -5.817 1.00 0.52 O ATOM 792 CB LYS B 111 6.095 -3.781 -5.119 1.00 0.63 C ATOM 793 CG LYS B 111 5.579 -3.630 -6.536 1.00 0.79 C ATOM 794 CD LYS B 111 6.155 -2.391 -7.191 1.00 0.89 C ATOM 795 CE LYS B 111 5.705 -2.237 -8.633 1.00 1.15 C ATOM 796 NZ LYS B 111 6.050 -3.421 -9.464 1.00 1.89 N ATOM 0 H LYS B 111 7.135 -4.585 -3.037 1.00 0.41 H new ATOM 0 HA LYS B 111 4.576 -4.919 -4.125 1.00 0.46 H new ATOM 0 HB2 LYS B 111 5.783 -2.915 -4.536 1.00 0.63 H new ATOM 0 HB3 LYS B 111 7.185 -3.776 -5.138 1.00 0.63 H new ATOM 0 HG2 LYS B 111 5.844 -4.512 -7.120 1.00 0.79 H new ATOM 0 HG3 LYS B 111 4.491 -3.569 -6.527 1.00 0.79 H new ATOM 0 HD2 LYS B 111 5.855 -1.510 -6.623 1.00 0.89 H new ATOM 0 HD3 LYS B 111 7.243 -2.437 -7.156 1.00 0.89 H new ATOM 0 HE2 LYS B 111 4.627 -2.080 -8.659 1.00 1.15 H new ATOM 0 HE3 LYS B 111 6.167 -1.348 -9.062 1.00 1.15 H new ATOM 0 HZ1 LYS B 111 5.927 -3.187 -10.470 1.00 1.89 H new ATOM 0 HZ2 LYS B 111 7.039 -3.691 -9.290 1.00 1.89 H new ATOM 0 HZ3 LYS B 111 5.426 -4.214 -9.214 1.00 1.89 H new ATOM 810 N ASP B 112 6.895 -6.730 -5.623 1.00 0.49 N ATOM 811 CA ASP B 112 7.078 -7.842 -6.553 1.00 0.58 C ATOM 812 C ASP B 112 6.517 -9.148 -5.986 1.00 0.53 C ATOM 813 O ASP B 112 6.024 -10.000 -6.731 1.00 0.63 O ATOM 814 CB ASP B 112 8.561 -8.014 -6.888 1.00 0.72 C ATOM 815 CG ASP B 112 8.806 -9.089 -7.932 1.00 2.65 C ATOM 816 OD1 ASP B 112 9.204 -10.213 -7.557 1.00 3.03 O ATOM 817 OD2 ASP B 112 8.606 -8.813 -9.135 1.00 3.08 O ATOM 0 H ASP B 112 7.758 -6.372 -5.214 1.00 0.49 H new ATOM 0 HA ASP B 112 6.527 -7.606 -7.463 1.00 0.58 H new ATOM 0 HB2 ASP B 112 8.960 -7.066 -7.248 1.00 0.72 H new ATOM 0 HB3 ASP B 112 9.108 -8.265 -5.979 1.00 0.72 H new ATOM 822 N SER B 113 6.567 -9.284 -4.667 1.00 0.44 N ATOM 823 CA SER B 113 6.192 -10.530 -4.002 1.00 0.43 C ATOM 824 C SER B 113 4.713 -10.569 -3.615 1.00 0.35 C ATOM 825 O SER B 113 4.175 -11.632 -3.302 1.00 0.40 O ATOM 826 CB SER B 113 7.054 -10.710 -2.757 1.00 0.44 C ATOM 827 OG SER B 113 8.432 -10.713 -3.092 1.00 0.55 O ATOM 0 H SER B 113 6.865 -8.544 -4.032 1.00 0.44 H new ATOM 0 HA SER B 113 6.359 -11.344 -4.707 1.00 0.43 H new ATOM 0 HB2 SER B 113 6.849 -9.907 -2.049 1.00 0.44 H new ATOM 0 HB3 SER B 113 6.794 -11.646 -2.262 1.00 0.44 H new ATOM 0 HG SER B 113 8.767 -9.792 -3.108 1.00 0.55 H new ATOM 833 N LEU B 114 4.065 -9.416 -3.634 1.00 0.27 N ATOM 834 CA LEU B 114 2.684 -9.307 -3.184 1.00 0.23 C ATOM 835 C LEU B 114 1.727 -9.901 -4.216 1.00 0.27 C ATOM 836 O LEU B 114 1.955 -9.797 -5.423 1.00 0.30 O ATOM 837 CB LEU B 114 2.345 -7.841 -2.923 1.00 0.17 C ATOM 838 CG LEU B 114 1.128 -7.589 -2.025 1.00 0.14 C ATOM 839 CD1 LEU B 114 1.478 -7.805 -0.559 1.00 0.14 C ATOM 840 CD2 LEU B 114 0.606 -6.183 -2.231 1.00 0.16 C ATOM 0 H LEU B 114 4.473 -8.539 -3.957 1.00 0.27 H new ATOM 0 HA LEU B 114 2.571 -9.872 -2.259 1.00 0.23 H new ATOM 0 HB2 LEU B 114 3.213 -7.362 -2.470 1.00 0.17 H new ATOM 0 HB3 LEU B 114 2.174 -7.351 -3.881 1.00 0.17 H new ATOM 0 HG LEU B 114 0.351 -8.302 -2.301 1.00 0.14 H new ATOM 0 HD11 LEU B 114 0.598 -7.620 0.056 1.00 0.14 H new ATOM 0 HD12 LEU B 114 1.814 -8.832 -0.413 1.00 0.14 H new ATOM 0 HD13 LEU B 114 2.274 -7.118 -0.270 1.00 0.14 H new ATOM 0 HD21 LEU B 114 -0.258 -6.018 -1.587 1.00 0.16 H new ATOM 0 HD22 LEU B 114 1.387 -5.465 -1.982 1.00 0.16 H new ATOM 0 HD23 LEU B 114 0.313 -6.053 -3.273 1.00 0.16 H new ATOM 852 N ASP B 115 0.669 -10.536 -3.728 1.00 0.29 N ATOM 853 CA ASP B 115 -0.310 -11.187 -4.593 1.00 0.34 C ATOM 854 C ASP B 115 -1.161 -10.144 -5.315 1.00 0.33 C ATOM 855 O ASP B 115 -1.668 -9.205 -4.694 1.00 0.29 O ATOM 856 CB ASP B 115 -1.204 -12.119 -3.767 1.00 0.37 C ATOM 857 CG ASP B 115 -2.080 -13.017 -4.623 1.00 0.49 C ATOM 858 OD1 ASP B 115 -1.763 -14.219 -4.750 1.00 1.23 O ATOM 859 OD2 ASP B 115 -3.096 -12.535 -5.158 1.00 1.21 O ATOM 0 H ASP B 115 0.465 -10.615 -2.732 1.00 0.29 H new ATOM 0 HA ASP B 115 0.222 -11.777 -5.339 1.00 0.34 H new ATOM 0 HB2 ASP B 115 -0.578 -12.738 -3.124 1.00 0.37 H new ATOM 0 HB3 ASP B 115 -1.838 -11.520 -3.113 1.00 0.37 H new ATOM 864 N PRO B 116 -1.334 -10.304 -6.640 1.00 0.41 N ATOM 865 CA PRO B 116 -2.048 -9.335 -7.487 1.00 0.46 C ATOM 866 C PRO B 116 -3.529 -9.188 -7.133 1.00 0.42 C ATOM 867 O PRO B 116 -4.173 -8.225 -7.549 1.00 0.47 O ATOM 868 CB PRO B 116 -1.892 -9.906 -8.900 1.00 0.55 C ATOM 869 CG PRO B 116 -1.642 -11.356 -8.694 1.00 0.55 C ATOM 870 CD PRO B 116 -0.841 -11.449 -7.427 1.00 0.50 C ATOM 0 HA PRO B 116 -1.639 -8.332 -7.363 1.00 0.46 H new ATOM 0 HB2 PRO B 116 -2.789 -9.739 -9.496 1.00 0.55 H new ATOM 0 HB3 PRO B 116 -1.065 -9.433 -9.430 1.00 0.55 H new ATOM 0 HG2 PRO B 116 -2.578 -11.907 -8.608 1.00 0.55 H new ATOM 0 HG3 PRO B 116 -1.097 -11.784 -9.535 1.00 0.55 H new ATOM 0 HD2 PRO B 116 -1.008 -12.395 -6.912 1.00 0.50 H new ATOM 0 HD3 PRO B 116 0.229 -11.376 -7.620 1.00 0.50 H new ATOM 878 N SER B 117 -4.068 -10.149 -6.388 1.00 0.36 N ATOM 879 CA SER B 117 -5.464 -10.100 -5.965 1.00 0.37 C ATOM 880 C SER B 117 -5.722 -8.861 -5.108 1.00 0.38 C ATOM 881 O SER B 117 -6.850 -8.373 -5.022 1.00 0.56 O ATOM 882 CB SER B 117 -5.826 -11.366 -5.188 1.00 0.37 C ATOM 883 OG SER B 117 -7.223 -11.470 -4.970 1.00 1.30 O ATOM 0 H SER B 117 -3.559 -10.972 -6.065 1.00 0.36 H new ATOM 0 HA SER B 117 -6.092 -10.042 -6.854 1.00 0.37 H new ATOM 0 HB2 SER B 117 -5.478 -12.241 -5.737 1.00 0.37 H new ATOM 0 HB3 SER B 117 -5.308 -11.364 -4.229 1.00 0.37 H new ATOM 0 HG SER B 117 -7.416 -12.292 -4.472 1.00 1.30 H new ATOM 889 N PHE B 118 -4.670 -8.341 -4.491 1.00 0.28 N ATOM 890 CA PHE B 118 -4.785 -7.144 -3.678 1.00 0.32 C ATOM 891 C PHE B 118 -4.462 -5.923 -4.523 1.00 0.44 C ATOM 892 O PHE B 118 -3.334 -5.434 -4.524 1.00 0.94 O ATOM 893 CB PHE B 118 -3.844 -7.215 -2.478 1.00 0.27 C ATOM 894 CG PHE B 118 -4.039 -8.442 -1.644 1.00 0.23 C ATOM 895 CD1 PHE B 118 -3.416 -9.628 -1.985 1.00 1.22 C ATOM 896 CD2 PHE B 118 -4.841 -8.410 -0.520 1.00 1.21 C ATOM 897 CE1 PHE B 118 -3.586 -10.760 -1.221 1.00 1.21 C ATOM 898 CE2 PHE B 118 -5.017 -9.539 0.251 1.00 1.23 C ATOM 899 CZ PHE B 118 -4.389 -10.718 -0.099 1.00 0.28 C ATOM 0 H PHE B 118 -3.729 -8.731 -4.539 1.00 0.28 H new ATOM 0 HA PHE B 118 -5.807 -7.068 -3.307 1.00 0.32 H new ATOM 0 HB2 PHE B 118 -2.813 -7.184 -2.831 1.00 0.27 H new ATOM 0 HB3 PHE B 118 -3.994 -6.333 -1.855 1.00 0.27 H new ATOM 0 HD1 PHE B 118 -2.788 -9.667 -2.863 1.00 1.22 H new ATOM 0 HD2 PHE B 118 -5.335 -7.491 -0.242 1.00 1.21 H new ATOM 0 HE1 PHE B 118 -3.092 -11.679 -1.499 1.00 1.21 H new ATOM 0 HE2 PHE B 118 -5.646 -9.502 1.128 1.00 1.23 H new ATOM 0 HZ PHE B 118 -4.526 -11.604 0.503 1.00 0.28 H new ATOM 909 N THR B 119 -5.465 -5.442 -5.238 1.00 0.39 N ATOM 910 CA THR B 119 -5.291 -4.344 -6.170 1.00 0.39 C ATOM 911 C THR B 119 -4.763 -3.091 -5.481 1.00 0.41 C ATOM 912 O THR B 119 -3.776 -2.500 -5.916 1.00 0.45 O ATOM 913 CB THR B 119 -6.620 -4.008 -6.868 1.00 0.44 C ATOM 914 OG1 THR B 119 -7.082 -5.142 -7.610 1.00 0.48 O ATOM 915 CG2 THR B 119 -6.462 -2.810 -7.793 1.00 0.45 C ATOM 0 H THR B 119 -6.419 -5.801 -5.188 1.00 0.39 H new ATOM 0 HA THR B 119 -4.557 -4.670 -6.907 1.00 0.39 H new ATOM 0 HB THR B 119 -7.354 -3.754 -6.103 1.00 0.44 H new ATOM 0 HG1 THR B 119 -7.929 -4.922 -8.050 1.00 0.48 H new ATOM 0 HG21 THR B 119 -7.416 -2.593 -8.274 1.00 0.45 H new ATOM 0 HG22 THR B 119 -6.142 -1.943 -7.214 1.00 0.45 H new ATOM 0 HG23 THR B 119 -5.715 -3.034 -8.554 1.00 0.45 H new ATOM 923 N HIS B 120 -5.421 -2.693 -4.409 1.00 0.44 N ATOM 924 CA HIS B 120 -5.100 -1.446 -3.738 1.00 0.51 C ATOM 925 C HIS B 120 -3.761 -1.538 -3.024 1.00 0.47 C ATOM 926 O HIS B 120 -2.964 -0.603 -3.072 1.00 0.57 O ATOM 927 CB HIS B 120 -6.214 -1.068 -2.773 1.00 0.60 C ATOM 928 CG HIS B 120 -7.541 -0.942 -3.449 1.00 0.92 C ATOM 929 ND1 HIS B 120 -7.765 -0.106 -4.522 1.00 1.09 N ATOM 930 CD2 HIS B 120 -8.702 -1.594 -3.236 1.00 1.19 C ATOM 931 CE1 HIS B 120 -9.007 -0.257 -4.937 1.00 1.40 C ATOM 932 NE2 HIS B 120 -9.600 -1.155 -4.176 1.00 1.47 N ATOM 0 H HIS B 120 -6.185 -3.217 -3.982 1.00 0.44 H new ATOM 0 HA HIS B 120 -5.015 -0.661 -4.489 1.00 0.51 H new ATOM 0 HB2 HIS B 120 -6.280 -1.821 -1.988 1.00 0.60 H new ATOM 0 HB3 HIS B 120 -5.966 -0.123 -2.289 1.00 0.60 H new ATOM 0 HD2 HIS B 120 -8.891 -2.328 -2.466 1.00 1.19 H new ATOM 0 HE1 HIS B 120 -9.463 0.268 -5.763 1.00 1.40 H new ATOM 0 HE2 HIS B 120 -10.565 -1.471 -4.270 1.00 1.47 H new ATOM 941 N ALA B 121 -3.518 -2.669 -2.374 1.00 0.37 N ATOM 942 CA ALA B 121 -2.235 -2.924 -1.728 1.00 0.33 C ATOM 943 C ALA B 121 -1.108 -2.857 -2.742 1.00 0.38 C ATOM 944 O ALA B 121 -0.044 -2.293 -2.486 1.00 0.47 O ATOM 945 CB ALA B 121 -2.255 -4.281 -1.050 1.00 0.27 C ATOM 0 H ALA B 121 -4.194 -3.427 -2.280 1.00 0.37 H new ATOM 0 HA ALA B 121 -2.065 -2.156 -0.973 1.00 0.33 H new ATOM 0 HB1 ALA B 121 -1.293 -4.462 -0.571 1.00 0.27 H new ATOM 0 HB2 ALA B 121 -3.044 -4.301 -0.299 1.00 0.27 H new ATOM 0 HB3 ALA B 121 -2.442 -5.056 -1.793 1.00 0.27 H new ATOM 951 N MET B 122 -1.375 -3.409 -3.910 1.00 0.35 N ATOM 952 CA MET B 122 -0.423 -3.405 -5.006 1.00 0.34 C ATOM 953 C MET B 122 -0.258 -1.999 -5.575 1.00 0.38 C ATOM 954 O MET B 122 0.846 -1.580 -5.932 1.00 0.41 O ATOM 955 CB MET B 122 -0.886 -4.381 -6.089 1.00 0.37 C ATOM 956 CG MET B 122 -0.551 -5.835 -5.795 1.00 0.38 C ATOM 957 SD MET B 122 1.075 -6.331 -6.409 1.00 0.49 S ATOM 958 CE MET B 122 2.146 -5.167 -5.572 1.00 0.63 C ATOM 0 H MET B 122 -2.257 -3.873 -4.127 1.00 0.35 H new ATOM 0 HA MET B 122 0.550 -3.726 -4.633 1.00 0.34 H new ATOM 0 HB2 MET B 122 -1.965 -4.285 -6.213 1.00 0.37 H new ATOM 0 HB3 MET B 122 -0.430 -4.098 -7.038 1.00 0.37 H new ATOM 0 HG2 MET B 122 -0.591 -5.999 -4.718 1.00 0.38 H new ATOM 0 HG3 MET B 122 -1.312 -6.474 -6.244 1.00 0.38 H new ATOM 0 HE1 MET B 122 3.181 -5.355 -5.857 1.00 0.63 H new ATOM 0 HE2 MET B 122 1.871 -4.151 -5.855 1.00 0.63 H new ATOM 0 HE3 MET B 122 2.039 -5.285 -4.494 1.00 0.63 H new ATOM 968 N GLN B 123 -1.363 -1.271 -5.639 1.00 0.44 N ATOM 969 CA GLN B 123 -1.353 0.093 -6.147 1.00 0.53 C ATOM 970 C GLN B 123 -0.604 1.030 -5.205 1.00 0.54 C ATOM 971 O GLN B 123 0.201 1.846 -5.654 1.00 0.62 O ATOM 972 CB GLN B 123 -2.782 0.590 -6.389 1.00 0.65 C ATOM 973 CG GLN B 123 -2.910 2.105 -6.464 1.00 0.83 C ATOM 974 CD GLN B 123 -4.353 2.569 -6.431 1.00 1.12 C ATOM 975 OE1 GLN B 123 -5.005 2.686 -7.466 1.00 1.60 O ATOM 976 NE2 GLN B 123 -4.860 2.848 -5.240 1.00 1.76 N ATOM 0 H GLN B 123 -2.281 -1.604 -5.344 1.00 0.44 H new ATOM 0 HA GLN B 123 -0.824 0.091 -7.100 1.00 0.53 H new ATOM 0 HB2 GLN B 123 -3.152 0.159 -7.319 1.00 0.65 H new ATOM 0 HB3 GLN B 123 -3.424 0.221 -5.589 1.00 0.65 H new ATOM 0 HG2 GLN B 123 -2.369 2.554 -5.631 1.00 0.83 H new ATOM 0 HG3 GLN B 123 -2.438 2.461 -7.380 1.00 0.83 H new ATOM 0 HE21 GLN B 123 -4.287 2.738 -4.403 1.00 1.76 H new ATOM 0 HE22 GLN B 123 -5.824 3.173 -5.159 1.00 1.76 H new ATOM 985 N LEU B 124 -0.847 0.914 -3.911 1.00 0.49 N ATOM 986 CA LEU B 124 -0.215 1.807 -2.950 1.00 0.50 C ATOM 987 C LEU B 124 1.292 1.560 -2.894 1.00 0.45 C ATOM 988 O LEU B 124 2.077 2.495 -2.734 1.00 0.52 O ATOM 989 CB LEU B 124 -0.880 1.677 -1.584 1.00 0.50 C ATOM 990 CG LEU B 124 -2.357 2.075 -1.567 1.00 0.56 C ATOM 991 CD1 LEU B 124 -3.044 1.544 -0.320 1.00 0.49 C ATOM 992 CD2 LEU B 124 -2.498 3.586 -1.644 1.00 0.83 C ATOM 0 H LEU B 124 -1.471 0.218 -3.502 1.00 0.49 H new ATOM 0 HA LEU B 124 -0.354 2.838 -3.277 1.00 0.50 H new ATOM 0 HB2 LEU B 124 -0.789 0.645 -1.244 1.00 0.50 H new ATOM 0 HB3 LEU B 124 -0.340 2.297 -0.868 1.00 0.50 H new ATOM 0 HG LEU B 124 -2.840 1.633 -2.439 1.00 0.56 H new ATOM 0 HD11 LEU B 124 -4.093 1.839 -0.329 1.00 0.49 H new ATOM 0 HD12 LEU B 124 -2.973 0.456 -0.301 1.00 0.49 H new ATOM 0 HD13 LEU B 124 -2.559 1.955 0.565 1.00 0.49 H new ATOM 0 HD21 LEU B 124 -3.554 3.854 -1.631 1.00 0.83 H new ATOM 0 HD22 LEU B 124 -1.997 4.042 -0.790 1.00 0.83 H new ATOM 0 HD23 LEU B 124 -2.043 3.947 -2.566 1.00 0.83 H new ATOM 1004 N LEU B 125 1.685 0.298 -3.053 1.00 0.37 N ATOM 1005 CA LEU B 125 3.099 -0.061 -3.136 1.00 0.35 C ATOM 1006 C LEU B 125 3.711 0.562 -4.380 1.00 0.46 C ATOM 1007 O LEU B 125 4.845 1.032 -4.361 1.00 0.52 O ATOM 1008 CB LEU B 125 3.278 -1.579 -3.201 1.00 0.28 C ATOM 1009 CG LEU B 125 3.235 -2.314 -1.870 1.00 0.25 C ATOM 1010 CD1 LEU B 125 3.165 -3.808 -2.119 1.00 0.21 C ATOM 1011 CD2 LEU B 125 4.464 -1.979 -1.037 1.00 0.33 C ATOM 0 H LEU B 125 1.045 -0.493 -3.127 1.00 0.37 H new ATOM 0 HA LEU B 125 3.597 0.313 -2.242 1.00 0.35 H new ATOM 0 HB2 LEU B 125 2.500 -1.989 -3.845 1.00 0.28 H new ATOM 0 HB3 LEU B 125 4.234 -1.792 -3.680 1.00 0.28 H new ATOM 0 HG LEU B 125 2.350 -1.998 -1.318 1.00 0.25 H new ATOM 0 HD11 LEU B 125 3.134 -4.335 -1.165 1.00 0.21 H new ATOM 0 HD12 LEU B 125 2.266 -4.040 -2.691 1.00 0.21 H new ATOM 0 HD13 LEU B 125 4.044 -4.125 -2.680 1.00 0.21 H new ATOM 0 HD21 LEU B 125 4.417 -2.513 -0.088 1.00 0.33 H new ATOM 0 HD22 LEU B 125 5.362 -2.277 -1.577 1.00 0.33 H new ATOM 0 HD23 LEU B 125 4.494 -0.906 -0.848 1.00 0.33 H new ATOM 1023 N THR B 126 2.934 0.577 -5.453 1.00 0.55 N ATOM 1024 CA THR B 126 3.413 1.116 -6.712 1.00 0.74 C ATOM 1025 C THR B 126 3.639 2.622 -6.590 1.00 0.92 C ATOM 1026 O THR B 126 4.692 3.142 -6.963 1.00 1.07 O ATOM 1027 CB THR B 126 2.408 0.836 -7.849 1.00 0.81 C ATOM 1028 OG1 THR B 126 2.244 -0.578 -8.025 1.00 0.86 O ATOM 1029 CG2 THR B 126 2.866 1.470 -9.155 1.00 0.91 C ATOM 0 H THR B 126 1.977 0.225 -5.475 1.00 0.55 H new ATOM 0 HA THR B 126 4.357 0.626 -6.951 1.00 0.74 H new ATOM 0 HB THR B 126 1.452 1.279 -7.571 1.00 0.81 H new ATOM 0 HG1 THR B 126 1.740 -0.945 -7.269 1.00 0.86 H new ATOM 0 HG21 THR B 126 2.139 1.256 -9.938 1.00 0.91 H new ATOM 0 HG22 THR B 126 2.953 2.549 -9.025 1.00 0.91 H new ATOM 0 HG23 THR B 126 3.835 1.060 -9.438 1.00 0.91 H new ATOM 1037 N ALA B 127 2.648 3.301 -6.022 1.00 0.96 N ATOM 1038 CA ALA B 127 2.662 4.752 -5.916 1.00 1.09 C ATOM 1039 C ALA B 127 3.807 5.260 -5.042 1.00 1.18 C ATOM 1040 O ALA B 127 4.483 6.224 -5.396 1.00 1.38 O ATOM 1041 CB ALA B 127 1.329 5.233 -5.366 1.00 1.18 C ATOM 0 H ALA B 127 1.817 2.862 -5.625 1.00 0.96 H new ATOM 0 HA ALA B 127 2.821 5.156 -6.916 1.00 1.09 H new ATOM 0 HB1 ALA B 127 1.339 6.320 -5.286 1.00 1.18 H new ATOM 0 HB2 ALA B 127 0.527 4.926 -6.037 1.00 1.18 H new ATOM 0 HB3 ALA B 127 1.164 4.799 -4.380 1.00 1.18 H new ATOM 1047 N GLU B 128 4.007 4.617 -3.894 1.00 1.12 N ATOM 1048 CA GLU B 128 5.047 5.033 -2.953 1.00 1.31 C ATOM 1049 C GLU B 128 6.431 4.925 -3.586 1.00 1.38 C ATOM 1050 O GLU B 128 7.304 5.761 -3.351 1.00 1.62 O ATOM 1051 CB GLU B 128 4.987 4.185 -1.687 1.00 1.35 C ATOM 1052 CG GLU B 128 5.766 4.773 -0.520 1.00 1.46 C ATOM 1053 CD GLU B 128 5.149 6.053 0.022 1.00 1.46 C ATOM 1054 OE1 GLU B 128 3.979 6.346 -0.305 1.00 2.01 O ATOM 1055 OE2 GLU B 128 5.825 6.763 0.801 1.00 1.95 O ATOM 0 H GLU B 128 3.465 3.808 -3.592 1.00 1.12 H new ATOM 0 HA GLU B 128 4.867 6.076 -2.692 1.00 1.31 H new ATOM 0 HB2 GLU B 128 3.945 4.062 -1.392 1.00 1.35 H new ATOM 0 HB3 GLU B 128 5.375 3.191 -1.907 1.00 1.35 H new ATOM 0 HG2 GLU B 128 5.822 4.036 0.281 1.00 1.46 H new ATOM 0 HG3 GLU B 128 6.789 4.976 -0.838 1.00 1.46 H new ATOM 1062 N ILE B 129 6.615 3.897 -4.400 1.00 1.24 N ATOM 1063 CA ILE B 129 7.867 3.723 -5.122 1.00 1.42 C ATOM 1064 C ILE B 129 8.069 4.857 -6.120 1.00 1.64 C ATOM 1065 O ILE B 129 9.169 5.399 -6.247 1.00 1.92 O ATOM 1066 CB ILE B 129 7.923 2.363 -5.841 1.00 1.32 C ATOM 1067 CG1 ILE B 129 7.919 1.248 -4.800 1.00 1.14 C ATOM 1068 CG2 ILE B 129 9.158 2.264 -6.732 1.00 1.59 C ATOM 1069 CD1 ILE B 129 7.784 -0.132 -5.387 1.00 1.01 C ATOM 0 H ILE B 129 5.918 3.174 -4.577 1.00 1.24 H new ATOM 0 HA ILE B 129 8.675 3.746 -4.390 1.00 1.42 H new ATOM 0 HB ILE B 129 7.048 2.263 -6.483 1.00 1.32 H new ATOM 0 HG12 ILE B 129 8.843 1.299 -4.224 1.00 1.14 H new ATOM 0 HG13 ILE B 129 7.099 1.418 -4.103 1.00 1.14 H new ATOM 0 HG21 ILE B 129 9.172 1.293 -7.228 1.00 1.59 H new ATOM 0 HG22 ILE B 129 9.130 3.054 -7.482 1.00 1.59 H new ATOM 0 HG23 ILE B 129 10.056 2.374 -6.123 1.00 1.59 H new ATOM 0 HD11 ILE B 129 7.789 -0.870 -4.585 1.00 1.01 H new ATOM 0 HD12 ILE B 129 6.847 -0.202 -5.939 1.00 1.01 H new ATOM 0 HD13 ILE B 129 8.618 -0.323 -6.062 1.00 1.01 H new