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 143:sc= -0.172 (180deg=-0.984) USER MOD Single : A 111 LYS NZ :NH3+ -167:sc= -0.0252 (180deg=-0.205) USER MOD Single : A 113 SER OG : rot 84:sc= 1.14 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 HD1:sc= -0.542 X(o=-0.54,f=-0.065) USER MOD Single : A 122 MET CE :methyl 174:sc= -7.56! (180deg=-7.57!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 THR OG1 : rot 71:sc= 1.25 USER MOD Single : B 108 MET CE :methyl 143:sc= -0.206 (180deg=-1) USER MOD Single : B 111 LYS NZ :NH3+ -167:sc= -0.0161 (180deg=-0.212) USER MOD Single : B 113 SER OG : rot 89:sc= 1.21 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= -0.414 X(o=-0.41,f=-0.043) USER MOD Single : B 122 MET CE :methyl 178:sc= -7.45! (180deg=-7.67!) USER MOD Single : B 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 126 THR OG1 : rot 66:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 104 -13.034 2.391 0.555 1.00 2.70 N ATOM 88 CA LEU A 104 -12.623 2.200 1.938 1.00 2.55 C ATOM 89 C LEU A 104 -12.732 0.728 2.374 1.00 2.53 C ATOM 90 O LEU A 104 -11.746 0.150 2.836 1.00 2.25 O ATOM 91 CB LEU A 104 -13.453 3.115 2.846 1.00 2.85 C ATOM 92 CG LEU A 104 -13.174 3.010 4.344 1.00 2.83 C ATOM 93 CD1 LEU A 104 -11.708 3.278 4.642 1.00 2.46 C ATOM 94 CD2 LEU A 104 -14.061 3.988 5.097 1.00 3.18 C ATOM 0 HA LEU A 104 -11.570 2.469 2.026 1.00 2.55 H new ATOM 0 HB2 LEU A 104 -13.286 4.147 2.538 1.00 2.85 H new ATOM 0 HB3 LEU A 104 -14.508 2.899 2.678 1.00 2.85 H new ATOM 0 HG LEU A 104 -13.400 1.996 4.674 1.00 2.83 H new ATOM 0 HD11 LEU A 104 -11.534 3.197 5.715 1.00 2.46 H new ATOM 0 HD12 LEU A 104 -11.091 2.548 4.119 1.00 2.46 H new ATOM 0 HD13 LEU A 104 -11.446 4.281 4.306 1.00 2.46 H new ATOM 0 HD21 LEU A 104 -13.861 3.912 6.166 1.00 3.18 H new ATOM 0 HD22 LEU A 104 -13.851 5.003 4.760 1.00 3.18 H new ATOM 0 HD23 LEU A 104 -15.108 3.751 4.906 1.00 3.18 H new ATOM 106 N PRO A 105 -13.918 0.084 2.243 1.00 2.88 N ATOM 107 CA PRO A 105 -14.082 -1.334 2.594 1.00 2.95 C ATOM 108 C PRO A 105 -13.192 -2.245 1.752 1.00 2.65 C ATOM 109 O PRO A 105 -12.799 -3.323 2.194 1.00 2.62 O ATOM 110 CB PRO A 105 -15.560 -1.615 2.322 1.00 3.43 C ATOM 111 CG PRO A 105 -15.962 -0.556 1.365 1.00 3.51 C ATOM 112 CD PRO A 105 -15.189 0.660 1.776 1.00 3.28 C ATOM 0 HA PRO A 105 -13.792 -1.530 3.626 1.00 2.95 H new ATOM 0 HB2 PRO A 105 -15.705 -2.609 1.900 1.00 3.43 H new ATOM 0 HB3 PRO A 105 -16.149 -1.569 3.238 1.00 3.43 H new ATOM 0 HG2 PRO A 105 -15.729 -0.843 0.340 1.00 3.51 H new ATOM 0 HG3 PRO A 105 -17.036 -0.373 1.408 1.00 3.51 H new ATOM 0 HD2 PRO A 105 -15.042 1.348 0.944 1.00 3.28 H new ATOM 0 HD3 PRO A 105 -15.696 1.217 2.564 1.00 3.28 H new ATOM 120 N GLU A 106 -12.878 -1.816 0.538 1.00 2.53 N ATOM 121 CA GLU A 106 -11.947 -2.550 -0.299 1.00 2.35 C ATOM 122 C GLU A 106 -10.577 -2.606 0.371 1.00 1.89 C ATOM 123 O GLU A 106 -9.931 -3.653 0.423 1.00 1.84 O ATOM 124 CB GLU A 106 -11.803 -1.870 -1.659 1.00 2.43 C ATOM 125 CG GLU A 106 -13.095 -1.773 -2.454 1.00 2.88 C ATOM 126 CD GLU A 106 -13.781 -3.107 -2.661 1.00 3.32 C ATOM 127 OE1 GLU A 106 -13.276 -3.927 -3.456 1.00 3.62 O ATOM 128 OE2 GLU A 106 -14.846 -3.335 -2.051 1.00 3.70 O ATOM 0 H GLU A 106 -13.253 -0.967 0.114 1.00 2.53 H new ATOM 0 HA GLU A 106 -12.334 -3.560 -0.437 1.00 2.35 H new ATOM 0 HB2 GLU A 106 -11.407 -0.866 -1.509 1.00 2.43 H new ATOM 0 HB3 GLU A 106 -11.068 -2.418 -2.249 1.00 2.43 H new ATOM 0 HG2 GLU A 106 -13.779 -1.098 -1.939 1.00 2.88 H new ATOM 0 HG3 GLU A 106 -12.881 -1.329 -3.426 1.00 2.88 H new ATOM 135 N LEU A 107 -10.154 -1.457 0.890 1.00 1.63 N ATOM 136 CA LEU A 107 -8.864 -1.337 1.556 1.00 1.23 C ATOM 137 C LEU A 107 -8.812 -2.200 2.809 1.00 1.08 C ATOM 138 O LEU A 107 -7.852 -2.923 3.028 1.00 0.96 O ATOM 139 CB LEU A 107 -8.601 0.113 1.945 1.00 1.21 C ATOM 140 CG LEU A 107 -8.455 1.087 0.788 1.00 1.32 C ATOM 141 CD1 LEU A 107 -8.502 2.508 1.312 1.00 1.42 C ATOM 142 CD2 LEU A 107 -7.153 0.832 0.050 1.00 1.20 C ATOM 0 H LEU A 107 -10.692 -0.591 0.861 1.00 1.63 H new ATOM 0 HA LEU A 107 -8.100 -1.677 0.857 1.00 1.23 H new ATOM 0 HB2 LEU A 107 -9.417 0.453 2.582 1.00 1.21 H new ATOM 0 HB3 LEU A 107 -7.692 0.150 2.545 1.00 1.21 H new ATOM 0 HG LEU A 107 -9.278 0.942 0.088 1.00 1.32 H new ATOM 0 HD11 LEU A 107 -8.397 3.206 0.481 1.00 1.42 H new ATOM 0 HD12 LEU A 107 -9.455 2.680 1.812 1.00 1.42 H new ATOM 0 HD13 LEU A 107 -7.688 2.662 2.020 1.00 1.42 H new ATOM 0 HD21 LEU A 107 -7.060 1.536 -0.777 1.00 1.20 H new ATOM 0 HD22 LEU A 107 -6.315 0.963 0.735 1.00 1.20 H new ATOM 0 HD23 LEU A 107 -7.148 -0.186 -0.338 1.00 1.20 H new ATOM 154 N MET A 108 -9.870 -2.135 3.608 1.00 1.27 N ATOM 155 CA MET A 108 -9.934 -2.906 4.849 1.00 1.26 C ATOM 156 C MET A 108 -9.953 -4.405 4.562 1.00 1.17 C ATOM 157 O MET A 108 -9.387 -5.189 5.320 1.00 1.13 O ATOM 158 CB MET A 108 -11.152 -2.495 5.695 1.00 1.64 C ATOM 159 CG MET A 108 -12.502 -2.855 5.103 1.00 1.96 C ATOM 160 SD MET A 108 -13.885 -2.388 6.165 1.00 2.39 S ATOM 161 CE MET A 108 -13.655 -0.616 6.277 1.00 2.67 C ATOM 0 H MET A 108 -10.692 -1.561 3.423 1.00 1.27 H new ATOM 0 HA MET A 108 -9.035 -2.684 5.425 1.00 1.26 H new ATOM 0 HB2 MET A 108 -11.067 -2.963 6.676 1.00 1.64 H new ATOM 0 HB3 MET A 108 -11.118 -1.417 5.852 1.00 1.64 H new ATOM 0 HG2 MET A 108 -12.611 -2.364 4.136 1.00 1.96 H new ATOM 0 HG3 MET A 108 -12.538 -3.929 4.920 1.00 1.96 H new ATOM 0 HE1 MET A 108 -14.627 -0.123 6.283 1.00 2.67 H new ATOM 0 HE2 MET A 108 -13.121 -0.376 7.196 1.00 2.67 H new ATOM 0 HE3 MET A 108 -13.077 -0.269 5.420 1.00 2.67 H new ATOM 171 N ALA A 109 -10.580 -4.802 3.457 1.00 1.27 N ATOM 172 CA ALA A 109 -10.631 -6.215 3.091 1.00 1.30 C ATOM 173 C ALA A 109 -9.250 -6.723 2.669 1.00 0.99 C ATOM 174 O ALA A 109 -8.806 -7.778 3.124 1.00 1.01 O ATOM 175 CB ALA A 109 -11.659 -6.452 1.996 1.00 1.60 C ATOM 0 H ALA A 109 -11.054 -4.175 2.807 1.00 1.27 H new ATOM 0 HA ALA A 109 -10.939 -6.781 3.970 1.00 1.30 H new ATOM 0 HB1 ALA A 109 -11.680 -7.511 1.739 1.00 1.60 H new ATOM 0 HB2 ALA A 109 -12.644 -6.145 2.349 1.00 1.60 H new ATOM 0 HB3 ALA A 109 -11.392 -5.870 1.114 1.00 1.60 H new ATOM 181 N GLU A 110 -8.574 -5.959 1.819 1.00 0.80 N ATOM 182 CA GLU A 110 -7.210 -6.312 1.417 1.00 0.62 C ATOM 183 C GLU A 110 -6.285 -6.230 2.630 1.00 0.45 C ATOM 184 O GLU A 110 -5.410 -7.061 2.824 1.00 0.55 O ATOM 185 CB GLU A 110 -6.703 -5.380 0.311 1.00 0.56 C ATOM 186 CG GLU A 110 -7.414 -5.554 -1.023 1.00 0.60 C ATOM 187 CD GLU A 110 -6.832 -4.670 -2.110 1.00 0.83 C ATOM 188 OE1 GLU A 110 -7.579 -4.273 -3.029 1.00 1.49 O ATOM 189 OE2 GLU A 110 -5.628 -4.360 -2.050 1.00 1.48 O ATOM 0 H GLU A 110 -8.937 -5.104 1.398 1.00 0.80 H new ATOM 0 HA GLU A 110 -7.216 -7.329 1.026 1.00 0.62 H new ATOM 0 HB2 GLU A 110 -6.818 -4.347 0.640 1.00 0.56 H new ATOM 0 HB3 GLU A 110 -5.636 -5.551 0.167 1.00 0.56 H new ATOM 0 HG2 GLU A 110 -7.348 -6.597 -1.333 1.00 0.60 H new ATOM 0 HG3 GLU A 110 -8.472 -5.324 -0.900 1.00 0.60 H new ATOM 196 N LYS A 111 -6.531 -5.213 3.435 1.00 0.41 N ATOM 197 CA LYS A 111 -5.749 -5.016 4.649 1.00 0.46 C ATOM 198 C LYS A 111 -5.863 -6.222 5.585 1.00 0.47 C ATOM 199 O LYS A 111 -4.861 -6.726 6.087 1.00 0.52 O ATOM 200 CB LYS A 111 -6.202 -3.736 5.356 1.00 0.63 C ATOM 201 CG LYS A 111 -5.749 -3.618 6.803 1.00 0.79 C ATOM 202 CD LYS A 111 -6.257 -2.328 7.417 1.00 0.89 C ATOM 203 CE LYS A 111 -5.931 -2.222 8.897 1.00 1.15 C ATOM 204 NZ LYS A 111 -6.567 -3.303 9.700 1.00 1.89 N ATOM 0 H LYS A 111 -7.258 -4.515 3.276 1.00 0.41 H new ATOM 0 HA LYS A 111 -4.700 -4.916 4.371 1.00 0.46 H new ATOM 0 HB2 LYS A 111 -5.826 -2.877 4.800 1.00 0.63 H new ATOM 0 HB3 LYS A 111 -7.290 -3.685 5.324 1.00 0.63 H new ATOM 0 HG2 LYS A 111 -6.117 -4.469 7.376 1.00 0.79 H new ATOM 0 HG3 LYS A 111 -4.661 -3.647 6.853 1.00 0.79 H new ATOM 0 HD2 LYS A 111 -5.818 -1.481 6.890 1.00 0.89 H new ATOM 0 HD3 LYS A 111 -7.337 -2.264 7.280 1.00 0.89 H new ATOM 0 HE2 LYS A 111 -4.850 -2.262 9.031 1.00 1.15 H new ATOM 0 HE3 LYS A 111 -6.263 -1.253 9.270 1.00 1.15 H new ATOM 0 HZ1 LYS A 111 -6.502 -3.068 10.711 1.00 1.89 H new ATOM 0 HZ2 LYS A 111 -7.567 -3.394 9.429 1.00 1.89 H new ATOM 0 HZ3 LYS A 111 -6.077 -4.203 9.521 1.00 1.89 H new ATOM 218 N ASP A 112 -7.082 -6.683 5.806 1.00 0.49 N ATOM 219 CA ASP A 112 -7.323 -7.813 6.700 1.00 0.58 C ATOM 220 C ASP A 112 -6.781 -9.118 6.110 1.00 0.53 C ATOM 221 O ASP A 112 -6.369 -10.017 6.842 1.00 0.63 O ATOM 222 CB ASP A 112 -8.823 -7.952 6.980 1.00 0.72 C ATOM 223 CG ASP A 112 -9.134 -8.999 8.033 1.00 2.65 C ATOM 224 OD1 ASP A 112 -9.309 -10.181 7.675 1.00 3.03 O ATOM 225 OD2 ASP A 112 -9.220 -8.640 9.227 1.00 3.08 O ATOM 0 H ASP A 112 -7.924 -6.295 5.380 1.00 0.49 H new ATOM 0 HA ASP A 112 -6.796 -7.619 7.634 1.00 0.58 H new ATOM 0 HB2 ASP A 112 -9.217 -6.989 7.305 1.00 0.72 H new ATOM 0 HB3 ASP A 112 -9.337 -8.211 6.055 1.00 0.72 H new ATOM 230 N SER A 113 -6.764 -9.209 4.787 1.00 0.44 N ATOM 231 CA SER A 113 -6.396 -10.448 4.106 1.00 0.43 C ATOM 232 C SER A 113 -4.908 -10.503 3.756 1.00 0.35 C ATOM 233 O SER A 113 -4.353 -11.582 3.529 1.00 0.40 O ATOM 234 CB SER A 113 -7.235 -10.595 2.837 1.00 0.44 C ATOM 235 OG SER A 113 -8.620 -10.526 3.134 1.00 0.55 O ATOM 0 H SER A 113 -7.001 -8.439 4.161 1.00 0.44 H new ATOM 0 HA SER A 113 -6.594 -11.273 4.790 1.00 0.43 H new ATOM 0 HB2 SER A 113 -6.971 -9.809 2.129 1.00 0.44 H new ATOM 0 HB3 SER A 113 -7.009 -11.547 2.355 1.00 0.44 H new ATOM 0 HG SER A 113 -8.899 -9.588 3.179 1.00 0.55 H new ATOM 241 N LEU A 114 -4.269 -9.346 3.708 1.00 0.27 N ATOM 242 CA LEU A 114 -2.877 -9.250 3.294 1.00 0.23 C ATOM 243 C LEU A 114 -1.962 -9.818 4.374 1.00 0.27 C ATOM 244 O LEU A 114 -2.211 -9.648 5.569 1.00 0.31 O ATOM 245 CB LEU A 114 -2.528 -7.791 3.014 1.00 0.17 C ATOM 246 CG LEU A 114 -1.303 -7.558 2.124 1.00 0.14 C ATOM 247 CD1 LEU A 114 -1.650 -7.761 0.657 1.00 0.14 C ATOM 248 CD2 LEU A 114 -0.754 -6.163 2.339 1.00 0.16 C ATOM 0 H LEU A 114 -4.696 -8.452 3.953 1.00 0.27 H new ATOM 0 HA LEU A 114 -2.733 -9.832 2.384 1.00 0.23 H new ATOM 0 HB2 LEU A 114 -3.389 -7.314 2.546 1.00 0.17 H new ATOM 0 HB3 LEU A 114 -2.363 -7.287 3.966 1.00 0.17 H new ATOM 0 HG LEU A 114 -0.541 -8.286 2.401 1.00 0.14 H new ATOM 0 HD11 LEU A 114 -0.764 -7.590 0.046 1.00 0.14 H new ATOM 0 HD12 LEU A 114 -2.004 -8.781 0.505 1.00 0.14 H new ATOM 0 HD13 LEU A 114 -2.431 -7.058 0.367 1.00 0.14 H new ATOM 0 HD21 LEU A 114 0.116 -6.012 1.700 1.00 0.16 H new ATOM 0 HD22 LEU A 114 -1.519 -5.428 2.089 1.00 0.16 H new ATOM 0 HD23 LEU A 114 -0.463 -6.043 3.383 1.00 0.16 H new ATOM 260 N ASP A 115 -0.916 -10.505 3.943 1.00 0.29 N ATOM 261 CA ASP A 115 0.014 -11.148 4.861 1.00 0.34 C ATOM 262 C ASP A 115 0.923 -10.116 5.526 1.00 0.33 C ATOM 263 O ASP A 115 1.477 -9.241 4.856 1.00 0.29 O ATOM 264 CB ASP A 115 0.854 -12.184 4.115 1.00 0.37 C ATOM 265 CG ASP A 115 1.644 -13.068 5.058 1.00 0.49 C ATOM 266 OD1 ASP A 115 2.805 -12.735 5.366 1.00 1.23 O ATOM 267 OD2 ASP A 115 1.103 -14.103 5.497 1.00 1.21 O ATOM 0 H ASP A 115 -0.688 -10.633 2.957 1.00 0.29 H new ATOM 0 HA ASP A 115 -0.563 -11.648 5.639 1.00 0.34 H new ATOM 0 HB2 ASP A 115 0.201 -12.804 3.500 1.00 0.37 H new ATOM 0 HB3 ASP A 115 1.539 -11.674 3.438 1.00 0.37 H new ATOM 272 N PRO A 116 1.090 -10.220 6.857 1.00 0.41 N ATOM 273 CA PRO A 116 1.858 -9.254 7.661 1.00 0.46 C ATOM 274 C PRO A 116 3.338 -9.189 7.286 1.00 0.42 C ATOM 275 O PRO A 116 4.030 -8.239 7.661 1.00 0.47 O ATOM 276 CB PRO A 116 1.697 -9.765 9.096 1.00 0.55 C ATOM 277 CG PRO A 116 1.365 -11.206 8.943 1.00 0.55 C ATOM 278 CD PRO A 116 0.535 -11.294 7.697 1.00 0.50 C ATOM 0 HA PRO A 116 1.492 -8.239 7.505 1.00 0.46 H new ATOM 0 HB2 PRO A 116 2.613 -9.628 9.671 1.00 0.55 H new ATOM 0 HB3 PRO A 116 0.907 -9.229 9.622 1.00 0.55 H new ATOM 0 HG2 PRO A 116 2.268 -11.810 8.857 1.00 0.55 H new ATOM 0 HG3 PRO A 116 0.815 -11.576 9.808 1.00 0.55 H new ATOM 0 HD2 PRO A 116 0.626 -12.269 7.219 1.00 0.50 H new ATOM 0 HD3 PRO A 116 -0.524 -11.139 7.905 1.00 0.50 H new ATOM 286 N SER A 117 3.825 -10.200 6.566 1.00 0.36 N ATOM 287 CA SER A 117 5.219 -10.220 6.135 1.00 0.37 C ATOM 288 C SER A 117 5.505 -9.037 5.208 1.00 0.38 C ATOM 289 O SER A 117 6.651 -8.604 5.063 1.00 0.56 O ATOM 290 CB SER A 117 5.548 -11.540 5.432 1.00 0.37 C ATOM 291 OG SER A 117 6.944 -11.683 5.224 1.00 1.30 O ATOM 0 H SER A 117 3.278 -11.009 6.272 1.00 0.36 H new ATOM 0 HA SER A 117 5.853 -10.134 7.017 1.00 0.37 H new ATOM 0 HB2 SER A 117 5.181 -12.374 6.030 1.00 0.37 H new ATOM 0 HB3 SER A 117 5.030 -11.583 4.474 1.00 0.37 H new ATOM 0 HG SER A 117 7.122 -12.536 4.775 1.00 1.30 H new ATOM 297 N PHE A 118 4.455 -8.509 4.596 1.00 0.28 N ATOM 298 CA PHE A 118 4.578 -7.322 3.769 1.00 0.32 C ATOM 299 C PHE A 118 4.267 -6.099 4.612 1.00 0.44 C ATOM 300 O PHE A 118 3.147 -5.592 4.604 1.00 0.94 O ATOM 301 CB PHE A 118 3.632 -7.387 2.576 1.00 0.27 C ATOM 302 CG PHE A 118 3.814 -8.611 1.735 1.00 0.23 C ATOM 303 CD1 PHE A 118 3.226 -9.811 2.099 1.00 1.22 C ATOM 304 CD2 PHE A 118 4.567 -8.561 0.578 1.00 1.21 C ATOM 305 CE1 PHE A 118 3.387 -10.938 1.326 1.00 1.21 C ATOM 306 CE2 PHE A 118 4.731 -9.684 -0.202 1.00 1.23 C ATOM 307 CZ PHE A 118 4.141 -10.877 0.169 1.00 0.28 C ATOM 0 H PHE A 118 3.509 -8.885 4.658 1.00 0.28 H new ATOM 0 HA PHE A 118 5.597 -7.261 3.386 1.00 0.32 H new ATOM 0 HB2 PHE A 118 2.604 -7.353 2.936 1.00 0.27 H new ATOM 0 HB3 PHE A 118 3.782 -6.504 1.955 1.00 0.27 H new ATOM 0 HD1 PHE A 118 2.634 -9.863 3.001 1.00 1.22 H new ATOM 0 HD2 PHE A 118 5.032 -7.632 0.282 1.00 1.21 H new ATOM 0 HE1 PHE A 118 2.925 -11.868 1.623 1.00 1.21 H new ATOM 0 HE2 PHE A 118 5.321 -9.632 -1.105 1.00 1.23 H new ATOM 0 HZ PHE A 118 4.268 -11.758 -0.442 1.00 0.28 H new ATOM 317 N THR A 119 5.267 -5.636 5.337 1.00 0.39 N ATOM 318 CA THR A 119 5.084 -4.561 6.293 1.00 0.39 C ATOM 319 C THR A 119 4.637 -3.267 5.620 1.00 0.42 C ATOM 320 O THR A 119 3.674 -2.637 6.050 1.00 0.45 O ATOM 321 CB THR A 119 6.382 -4.312 7.077 1.00 0.44 C ATOM 322 OG1 THR A 119 6.739 -5.496 7.807 1.00 0.48 O ATOM 323 CG2 THR A 119 6.219 -3.141 8.031 1.00 0.45 C ATOM 0 H THR A 119 6.222 -5.991 5.281 1.00 0.39 H new ATOM 0 HA THR A 119 4.296 -4.874 6.979 1.00 0.39 H new ATOM 0 HB THR A 119 7.176 -4.069 6.371 1.00 0.44 H new ATOM 0 HG1 THR A 119 7.568 -5.336 8.305 1.00 0.48 H new ATOM 0 HG21 THR A 119 7.150 -2.983 8.575 1.00 0.45 H new ATOM 0 HG22 THR A 119 5.972 -2.242 7.465 1.00 0.45 H new ATOM 0 HG23 THR A 119 5.418 -3.356 8.738 1.00 0.45 H new ATOM 331 N HIS A 120 5.333 -2.882 4.566 1.00 0.44 N ATOM 332 CA HIS A 120 5.072 -1.616 3.907 1.00 0.51 C ATOM 333 C HIS A 120 3.737 -1.650 3.170 1.00 0.47 C ATOM 334 O HIS A 120 2.977 -0.686 3.215 1.00 0.57 O ATOM 335 CB HIS A 120 6.225 -1.265 2.973 1.00 0.60 C ATOM 336 CG HIS A 120 7.529 -1.116 3.699 1.00 0.92 C ATOM 337 ND1 HIS A 120 7.683 -0.325 4.816 1.00 1.09 N ATOM 338 CD2 HIS A 120 8.728 -1.702 3.494 1.00 1.19 C ATOM 339 CE1 HIS A 120 8.920 -0.431 5.262 1.00 1.40 C ATOM 340 NE2 HIS A 120 9.578 -1.262 4.480 1.00 1.47 N ATOM 0 H HIS A 120 6.085 -3.429 4.147 1.00 0.44 H new ATOM 0 HA HIS A 120 5.000 -0.833 4.662 1.00 0.51 H new ATOM 0 HB2 HIS A 120 6.322 -2.041 2.214 1.00 0.60 H new ATOM 0 HB3 HIS A 120 5.995 -0.336 2.451 1.00 0.60 H new ATOM 0 HD2 HIS A 120 8.974 -2.391 2.700 1.00 1.19 H new ATOM 0 HE1 HIS A 120 9.325 0.078 6.124 1.00 1.40 H new ATOM 0 HE2 HIS A 120 10.555 -1.534 4.588 1.00 1.47 H new ATOM 349 N ALA A 121 3.456 -2.770 2.512 1.00 0.37 N ATOM 350 CA ALA A 121 2.166 -2.982 1.854 1.00 0.34 C ATOM 351 C ALA A 121 1.035 -2.882 2.862 1.00 0.38 C ATOM 352 O ALA A 121 -0.009 -2.279 2.605 1.00 0.47 O ATOM 353 CB ALA A 121 2.142 -4.340 1.174 1.00 0.27 C ATOM 0 H ALA A 121 4.106 -3.550 2.419 1.00 0.37 H new ATOM 0 HA ALA A 121 2.029 -2.207 1.099 1.00 0.34 H new ATOM 0 HB1 ALA A 121 1.177 -4.487 0.688 1.00 0.27 H new ATOM 0 HB2 ALA A 121 2.935 -4.387 0.428 1.00 0.27 H new ATOM 0 HB3 ALA A 121 2.296 -5.122 1.918 1.00 0.27 H new ATOM 359 N MET A 122 1.278 -3.455 4.027 1.00 0.35 N ATOM 360 CA MET A 122 0.320 -3.431 5.115 1.00 0.34 C ATOM 361 C MET A 122 0.177 -2.024 5.682 1.00 0.39 C ATOM 362 O MET A 122 -0.922 -1.589 6.032 1.00 0.41 O ATOM 363 CB MET A 122 0.751 -4.409 6.207 1.00 0.37 C ATOM 364 CG MET A 122 0.372 -5.853 5.927 1.00 0.38 C ATOM 365 SD MET A 122 -1.273 -6.289 6.536 1.00 0.49 S ATOM 366 CE MET A 122 -2.315 -5.157 5.622 1.00 0.63 C ATOM 0 H MET A 122 2.144 -3.949 4.244 1.00 0.35 H new ATOM 0 HA MET A 122 -0.653 -3.737 4.730 1.00 0.34 H new ATOM 0 HB2 MET A 122 1.832 -4.345 6.332 1.00 0.37 H new ATOM 0 HB3 MET A 122 0.303 -4.103 7.152 1.00 0.37 H new ATOM 0 HG2 MET A 122 0.413 -6.031 4.852 1.00 0.38 H new ATOM 0 HG3 MET A 122 1.109 -6.511 6.387 1.00 0.38 H new ATOM 0 HE1 MET A 122 -3.362 -5.387 5.819 1.00 0.63 H new ATOM 0 HE2 MET A 122 -2.103 -4.134 5.934 1.00 0.63 H new ATOM 0 HE3 MET A 122 -2.115 -5.259 4.555 1.00 0.63 H new ATOM 376 N GLN A 123 1.292 -1.314 5.753 1.00 0.44 N ATOM 377 CA GLN A 123 1.292 0.049 6.263 1.00 0.53 C ATOM 378 C GLN A 123 0.565 0.998 5.315 1.00 0.54 C ATOM 379 O GLN A 123 -0.227 1.831 5.756 1.00 0.62 O ATOM 380 CB GLN A 123 2.721 0.531 6.530 1.00 0.65 C ATOM 381 CG GLN A 123 2.853 2.042 6.655 1.00 0.83 C ATOM 382 CD GLN A 123 4.286 2.490 6.850 1.00 1.12 C ATOM 383 OE1 GLN A 123 4.771 2.587 7.977 1.00 1.60 O ATOM 384 NE2 GLN A 123 4.976 2.772 5.754 1.00 1.76 N ATOM 0 H GLN A 123 2.208 -1.658 5.464 1.00 0.44 H new ATOM 0 HA GLN A 123 0.750 0.049 7.209 1.00 0.53 H new ATOM 0 HB2 GLN A 123 3.084 0.068 7.448 1.00 0.65 H new ATOM 0 HB3 GLN A 123 3.366 0.186 5.722 1.00 0.65 H new ATOM 0 HG2 GLN A 123 2.448 2.513 5.759 1.00 0.83 H new ATOM 0 HG3 GLN A 123 2.251 2.387 7.496 1.00 0.83 H new ATOM 0 HE21 GLN A 123 4.538 2.679 4.838 1.00 1.76 H new ATOM 0 HE22 GLN A 123 5.945 3.082 5.827 1.00 1.76 H new ATOM 393 N LEU A 124 0.813 0.873 4.023 1.00 0.49 N ATOM 394 CA LEU A 124 0.210 1.776 3.055 1.00 0.50 C ATOM 395 C LEU A 124 -1.300 1.558 2.978 1.00 0.45 C ATOM 396 O LEU A 124 -2.065 2.509 2.817 1.00 0.52 O ATOM 397 CB LEU A 124 0.890 1.637 1.698 1.00 0.50 C ATOM 398 CG LEU A 124 2.377 1.999 1.707 1.00 0.56 C ATOM 399 CD1 LEU A 124 3.078 1.450 0.474 1.00 0.49 C ATOM 400 CD2 LEU A 124 2.552 3.509 1.785 1.00 0.83 C ATOM 0 H LEU A 124 1.423 0.161 3.621 1.00 0.49 H new ATOM 0 HA LEU A 124 0.364 2.803 3.386 1.00 0.50 H new ATOM 0 HB2 LEU A 124 0.779 0.610 1.351 1.00 0.50 H new ATOM 0 HB3 LEU A 124 0.376 2.274 0.978 1.00 0.50 H new ATOM 0 HG LEU A 124 2.832 1.545 2.587 1.00 0.56 H new ATOM 0 HD11 LEU A 124 4.133 1.721 0.505 1.00 0.49 H new ATOM 0 HD12 LEU A 124 2.983 0.364 0.454 1.00 0.49 H new ATOM 0 HD13 LEU A 124 2.621 1.871 -0.422 1.00 0.49 H new ATOM 0 HD21 LEU A 124 3.614 3.752 1.791 1.00 0.83 H new ATOM 0 HD22 LEU A 124 2.078 3.975 0.922 1.00 0.83 H new ATOM 0 HD23 LEU A 124 2.089 3.882 2.699 1.00 0.83 H new ATOM 412 N LEU A 125 -1.720 0.300 3.121 1.00 0.37 N ATOM 413 CA LEU A 125 -3.144 -0.030 3.205 1.00 0.35 C ATOM 414 C LEU A 125 -3.744 0.632 4.429 1.00 0.46 C ATOM 415 O LEU A 125 -4.861 1.137 4.396 1.00 0.52 O ATOM 416 CB LEU A 125 -3.357 -1.543 3.307 1.00 0.28 C ATOM 417 CG LEU A 125 -3.349 -2.314 1.992 1.00 0.25 C ATOM 418 CD1 LEU A 125 -3.310 -3.799 2.281 1.00 0.21 C ATOM 419 CD2 LEU A 125 -4.581 -1.979 1.165 1.00 0.33 C ATOM 0 H LEU A 125 -1.097 -0.505 3.181 1.00 0.37 H new ATOM 0 HA LEU A 125 -3.629 0.332 2.299 1.00 0.35 H new ATOM 0 HB2 LEU A 125 -2.580 -1.956 3.951 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -4.311 -1.722 3.803 1.00 0.28 H new ATOM 0 HG LEU A 125 -2.465 -2.028 1.421 1.00 0.25 H new ATOM 0 HD11 LEU A 125 -3.304 -4.352 1.342 1.00 0.21 H new ATOM 0 HD12 LEU A 125 -2.409 -4.036 2.847 1.00 0.21 H new ATOM 0 HD13 LEU A 125 -4.188 -4.080 2.862 1.00 0.21 H new ATOM 0 HD21 LEU A 125 -4.556 -2.540 0.231 1.00 0.33 H new ATOM 0 HD22 LEU A 125 -5.478 -2.246 1.724 1.00 0.33 H new ATOM 0 HD23 LEU A 125 -4.593 -0.911 0.947 1.00 0.33 H new ATOM 431 N THR A 126 -2.971 0.647 5.501 1.00 0.55 N ATOM 432 CA THR A 126 -3.444 1.205 6.751 1.00 0.74 C ATOM 433 C THR A 126 -3.623 2.717 6.628 1.00 0.92 C ATOM 434 O THR A 126 -4.657 3.267 7.008 1.00 1.07 O ATOM 435 CB THR A 126 -2.461 0.894 7.899 1.00 0.81 C ATOM 436 OG1 THR A 126 -2.344 -0.527 8.079 1.00 0.86 O ATOM 437 CG2 THR A 126 -2.910 1.548 9.197 1.00 0.91 C ATOM 0 H THR A 126 -2.019 0.281 5.529 1.00 0.55 H new ATOM 0 HA THR A 126 -4.407 0.747 6.978 1.00 0.74 H new ATOM 0 HB THR A 126 -1.487 1.303 7.631 1.00 0.81 H new ATOM 0 HG1 THR A 126 -1.858 -0.914 7.321 1.00 0.86 H new ATOM 0 HG21 THR A 126 -2.199 1.312 9.988 1.00 0.91 H new ATOM 0 HG22 THR A 126 -2.958 2.629 9.062 1.00 0.91 H new ATOM 0 HG23 THR A 126 -3.896 1.173 9.471 1.00 0.91 H new ATOM 445 N ALA A 127 -2.612 3.367 6.060 1.00 0.96 N ATOM 446 CA ALA A 127 -2.584 4.820 5.955 1.00 1.09 C ATOM 447 C ALA A 127 -3.731 5.364 5.108 1.00 1.18 C ATOM 448 O ALA A 127 -4.379 6.343 5.484 1.00 1.38 O ATOM 449 CB ALA A 127 -1.249 5.263 5.382 1.00 1.18 C ATOM 0 H ALA A 127 -1.795 2.904 5.662 1.00 0.96 H new ATOM 0 HA ALA A 127 -2.710 5.227 6.958 1.00 1.09 H new ATOM 0 HB1 ALA A 127 -1.229 6.350 5.304 1.00 1.18 H new ATOM 0 HB2 ALA A 127 -0.444 4.932 6.038 1.00 1.18 H new ATOM 0 HB3 ALA A 127 -1.115 4.826 4.393 1.00 1.18 H new ATOM 455 N GLU A 128 -3.969 4.740 3.958 1.00 1.13 N ATOM 456 CA GLU A 128 -5.047 5.162 3.065 1.00 1.31 C ATOM 457 C GLU A 128 -6.396 5.050 3.765 1.00 1.38 C ATOM 458 O GLU A 128 -7.256 5.920 3.628 1.00 1.61 O ATOM 459 CB GLU A 128 -5.037 4.314 1.793 1.00 1.35 C ATOM 460 CG GLU A 128 -6.085 4.707 0.764 1.00 1.47 C ATOM 461 CD GLU A 128 -6.000 6.157 0.338 1.00 1.46 C ATOM 462 OE1 GLU A 128 -6.933 6.925 0.646 1.00 2.02 O ATOM 463 OE2 GLU A 128 -5.007 6.537 -0.311 1.00 1.95 O ATOM 0 H GLU A 128 -3.431 3.941 3.622 1.00 1.13 H new ATOM 0 HA GLU A 128 -4.886 6.205 2.794 1.00 1.31 H new ATOM 0 HB2 GLU A 128 -4.051 4.383 1.333 1.00 1.35 H new ATOM 0 HB3 GLU A 128 -5.189 3.270 2.067 1.00 1.35 H new ATOM 0 HG2 GLU A 128 -5.976 4.072 -0.115 1.00 1.47 H new ATOM 0 HG3 GLU A 128 -7.076 4.515 1.175 1.00 1.47 H new ATOM 470 N ILE A 129 -6.561 3.992 4.546 1.00 1.24 N ATOM 471 CA ILE A 129 -7.784 3.808 5.308 1.00 1.42 C ATOM 472 C ILE A 129 -7.949 4.933 6.322 1.00 1.64 C ATOM 473 O ILE A 129 -9.022 5.520 6.439 1.00 1.92 O ATOM 474 CB ILE A 129 -7.815 2.441 6.019 1.00 1.32 C ATOM 475 CG1 ILE A 129 -7.871 1.332 4.976 1.00 1.14 C ATOM 476 CG2 ILE A 129 -9.007 2.343 6.969 1.00 1.59 C ATOM 477 CD1 ILE A 129 -7.749 -0.054 5.553 1.00 1.01 C ATOM 0 H ILE A 129 -5.868 3.254 4.667 1.00 1.24 H new ATOM 0 HA ILE A 129 -8.617 3.834 4.605 1.00 1.42 H new ATOM 0 HB ILE A 129 -6.909 2.333 6.615 1.00 1.32 H new ATOM 0 HG12 ILE A 129 -8.812 1.407 4.431 1.00 1.14 H new ATOM 0 HG13 ILE A 129 -7.070 1.486 4.253 1.00 1.14 H new ATOM 0 HG21 ILE A 129 -9.004 1.368 7.457 1.00 1.59 H new ATOM 0 HG22 ILE A 129 -8.937 3.127 7.723 1.00 1.59 H new ATOM 0 HG23 ILE A 129 -9.932 2.464 6.406 1.00 1.59 H new ATOM 0 HD11 ILE A 129 -7.798 -0.788 4.749 1.00 1.01 H new ATOM 0 HD12 ILE A 129 -6.796 -0.149 6.074 1.00 1.01 H new ATOM 0 HD13 ILE A 129 -8.565 -0.229 6.254 1.00 1.01 H new ATOM 679 N LEU B 104 13.027 2.140 -0.324 1.00 2.70 N ATOM 680 CA LEU B 104 12.618 1.970 -1.712 1.00 2.55 C ATOM 681 C LEU B 104 12.704 0.499 -2.164 1.00 2.53 C ATOM 682 O LEU B 104 11.711 -0.053 -2.641 1.00 2.25 O ATOM 683 CB LEU B 104 13.470 2.880 -2.609 1.00 2.85 C ATOM 684 CG LEU B 104 13.196 2.794 -4.108 1.00 2.83 C ATOM 685 CD1 LEU B 104 11.735 3.094 -4.406 1.00 2.46 C ATOM 686 CD2 LEU B 104 14.107 3.757 -4.852 1.00 3.18 C ATOM 0 HA LEU B 104 11.571 2.258 -1.801 1.00 2.55 H new ATOM 0 HB2 LEU B 104 13.320 3.912 -2.292 1.00 2.85 H new ATOM 0 HB3 LEU B 104 14.520 2.644 -2.438 1.00 2.85 H new ATOM 0 HG LEU B 104 13.404 1.779 -4.447 1.00 2.83 H new ATOM 0 HD11 LEU B 104 11.562 3.027 -5.480 1.00 2.46 H new ATOM 0 HD12 LEU B 104 11.103 2.371 -3.891 1.00 2.46 H new ATOM 0 HD13 LEU B 104 11.492 4.099 -4.061 1.00 2.46 H new ATOM 0 HD21 LEU B 104 13.908 3.693 -5.922 1.00 3.18 H new ATOM 0 HD22 LEU B 104 13.919 4.774 -4.509 1.00 3.18 H new ATOM 0 HD23 LEU B 104 15.148 3.495 -4.660 1.00 3.18 H new ATOM 698 N PRO B 105 13.878 -0.167 -2.033 1.00 2.88 N ATOM 699 CA PRO B 105 14.019 -1.583 -2.399 1.00 2.95 C ATOM 700 C PRO B 105 13.109 -2.487 -1.569 1.00 2.65 C ATOM 701 O PRO B 105 12.698 -3.556 -2.026 1.00 2.62 O ATOM 702 CB PRO B 105 15.492 -1.896 -2.122 1.00 3.43 C ATOM 703 CG PRO B 105 15.909 -0.852 -1.154 1.00 3.51 C ATOM 704 CD PRO B 105 15.157 0.382 -1.554 1.00 3.28 C ATOM 0 HA PRO B 105 13.731 -1.761 -3.435 1.00 2.95 H new ATOM 0 HB2 PRO B 105 15.616 -2.896 -1.707 1.00 3.43 H new ATOM 0 HB3 PRO B 105 16.087 -1.854 -3.034 1.00 3.43 H new ATOM 0 HG2 PRO B 105 15.669 -1.145 -0.132 1.00 3.51 H new ATOM 0 HG3 PRO B 105 16.986 -0.687 -1.194 1.00 3.51 H new ATOM 0 HD2 PRO B 105 15.018 1.063 -0.714 1.00 3.28 H new ATOM 0 HD3 PRO B 105 15.677 0.940 -2.333 1.00 3.28 H new ATOM 712 N GLU B 106 12.797 -2.062 -0.352 1.00 2.53 N ATOM 713 CA GLU B 106 11.852 -2.786 0.479 1.00 2.35 C ATOM 714 C GLU B 106 10.484 -2.812 -0.196 1.00 1.89 C ATOM 715 O GLU B 106 9.824 -3.852 -0.268 1.00 1.84 O ATOM 716 CB GLU B 106 11.717 -2.111 1.841 1.00 2.43 C ATOM 717 CG GLU B 106 13.007 -2.039 2.643 1.00 2.88 C ATOM 718 CD GLU B 106 13.659 -3.388 2.858 1.00 3.33 C ATOM 719 OE1 GLU B 106 13.130 -4.188 3.657 1.00 3.62 O ATOM 720 OE2 GLU B 106 14.716 -3.645 2.245 1.00 3.71 O ATOM 0 H GLU B 106 13.184 -1.222 0.078 1.00 2.53 H new ATOM 0 HA GLU B 106 12.220 -3.803 0.614 1.00 2.35 H new ATOM 0 HB2 GLU B 106 11.339 -1.099 1.694 1.00 2.43 H new ATOM 0 HB3 GLU B 106 10.971 -2.649 2.426 1.00 2.43 H new ATOM 0 HG2 GLU B 106 13.709 -1.383 2.129 1.00 2.88 H new ATOM 0 HG3 GLU B 106 12.798 -1.586 3.612 1.00 2.88 H new ATOM 727 N LEU B 107 10.083 -1.651 -0.705 1.00 1.63 N ATOM 728 CA LEU B 107 8.796 -1.500 -1.374 1.00 1.23 C ATOM 729 C LEU B 107 8.734 -2.347 -2.635 1.00 1.08 C ATOM 730 O LEU B 107 7.758 -3.047 -2.867 1.00 0.96 O ATOM 731 CB LEU B 107 8.562 -0.042 -1.753 1.00 1.21 C ATOM 732 CG LEU B 107 8.429 0.925 -0.589 1.00 1.31 C ATOM 733 CD1 LEU B 107 8.503 2.348 -1.096 1.00 1.42 C ATOM 734 CD2 LEU B 107 7.120 0.689 0.145 1.00 1.19 C ATOM 0 H LEU B 107 10.636 -0.795 -0.666 1.00 1.63 H new ATOM 0 HA LEU B 107 8.024 -1.832 -0.679 1.00 1.23 H new ATOM 0 HB2 LEU B 107 9.388 0.288 -2.384 1.00 1.21 H new ATOM 0 HB3 LEU B 107 7.656 0.017 -2.357 1.00 1.21 H new ATOM 0 HG LEU B 107 9.248 0.757 0.110 1.00 1.31 H new ATOM 0 HD11 LEU B 107 8.407 3.038 -0.258 1.00 1.42 H new ATOM 0 HD12 LEU B 107 9.461 2.509 -1.591 1.00 1.42 H new ATOM 0 HD13 LEU B 107 7.694 2.524 -1.805 1.00 1.42 H new ATOM 0 HD21 LEU B 107 7.038 1.389 0.977 1.00 1.19 H new ATOM 0 HD22 LEU B 107 6.286 0.840 -0.540 1.00 1.19 H new ATOM 0 HD23 LEU B 107 7.096 -0.332 0.526 1.00 1.19 H new ATOM 746 N MET B 108 9.795 -2.295 -3.429 1.00 1.26 N ATOM 747 CA MET B 108 9.848 -3.057 -4.676 1.00 1.26 C ATOM 748 C MET B 108 9.837 -4.559 -4.403 1.00 1.17 C ATOM 749 O MET B 108 9.268 -5.326 -5.175 1.00 1.13 O ATOM 750 CB MET B 108 11.074 -2.662 -5.516 1.00 1.64 C ATOM 751 CG MET B 108 12.415 -3.054 -4.928 1.00 1.96 C ATOM 752 SD MET B 108 13.805 -2.605 -5.989 1.00 2.39 S ATOM 753 CE MET B 108 13.619 -0.825 -6.072 1.00 2.67 C ATOM 0 H MET B 108 10.627 -1.738 -3.236 1.00 1.26 H new ATOM 0 HA MET B 108 8.955 -2.813 -5.251 1.00 1.26 H new ATOM 0 HB2 MET B 108 10.981 -3.118 -6.502 1.00 1.64 H new ATOM 0 HB3 MET B 108 11.061 -1.582 -5.662 1.00 1.64 H new ATOM 0 HG2 MET B 108 12.535 -2.573 -3.957 1.00 1.96 H new ATOM 0 HG3 MET B 108 12.430 -4.130 -4.754 1.00 1.96 H new ATOM 0 HE1 MET B 108 14.603 -0.356 -6.074 1.00 2.67 H new ATOM 0 HE2 MET B 108 13.087 -0.557 -6.985 1.00 2.67 H new ATOM 0 HE3 MET B 108 13.054 -0.478 -5.207 1.00 2.67 H new ATOM 763 N ALA B 109 10.450 -4.977 -3.299 1.00 1.27 N ATOM 764 CA ALA B 109 10.472 -6.393 -2.945 1.00 1.30 C ATOM 765 C ALA B 109 9.083 -6.879 -2.531 1.00 0.99 C ATOM 766 O ALA B 109 8.625 -7.925 -2.989 1.00 1.01 O ATOM 767 CB ALA B 109 11.494 -6.659 -1.848 1.00 1.60 C ATOM 0 H ALA B 109 10.932 -4.364 -2.641 1.00 1.27 H new ATOM 0 HA ALA B 109 10.770 -6.957 -3.829 1.00 1.30 H new ATOM 0 HB1 ALA B 109 11.493 -7.720 -1.600 1.00 1.60 H new ATOM 0 HB2 ALA B 109 12.485 -6.368 -2.196 1.00 1.60 H new ATOM 0 HB3 ALA B 109 11.236 -6.079 -0.962 1.00 1.60 H new ATOM 773 N GLU B 110 8.416 -6.107 -1.681 1.00 0.80 N ATOM 774 CA GLU B 110 7.047 -6.441 -1.282 1.00 0.62 C ATOM 775 C GLU B 110 6.127 -6.333 -2.497 1.00 0.45 C ATOM 776 O GLU B 110 5.239 -7.144 -2.701 1.00 0.54 O ATOM 777 CB GLU B 110 6.553 -5.510 -0.170 1.00 0.56 C ATOM 778 CG GLU B 110 7.255 -5.711 1.163 1.00 0.60 C ATOM 779 CD GLU B 110 6.680 -4.829 2.253 1.00 0.83 C ATOM 780 OE1 GLU B 110 7.421 -4.455 3.185 1.00 1.49 O ATOM 781 OE2 GLU B 110 5.483 -4.500 2.182 1.00 1.48 O ATOM 0 H GLU B 110 8.790 -5.258 -1.258 1.00 0.80 H new ATOM 0 HA GLU B 110 7.036 -7.461 -0.897 1.00 0.62 H new ATOM 0 HB2 GLU B 110 6.689 -4.477 -0.488 1.00 0.56 H new ATOM 0 HB3 GLU B 110 5.483 -5.662 -0.032 1.00 0.56 H new ATOM 0 HG2 GLU B 110 7.171 -6.756 1.462 1.00 0.60 H new ATOM 0 HG3 GLU B 110 8.318 -5.497 1.048 1.00 0.60 H new ATOM 788 N LYS B 111 6.399 -5.315 -3.290 1.00 0.41 N ATOM 789 CA LYS B 111 5.624 -5.089 -4.508 1.00 0.46 C ATOM 790 C LYS B 111 5.720 -6.290 -5.454 1.00 0.47 C ATOM 791 O LYS B 111 4.710 -6.770 -5.964 1.00 0.52 O ATOM 792 CB LYS B 111 6.104 -3.813 -5.202 1.00 0.63 C ATOM 793 CG LYS B 111 5.657 -3.672 -6.648 1.00 0.79 C ATOM 794 CD LYS B 111 6.193 -2.386 -7.250 1.00 0.89 C ATOM 795 CE LYS B 111 5.876 -2.257 -8.727 1.00 1.15 C ATOM 796 NZ LYS B 111 6.505 -3.334 -9.537 1.00 1.89 N ATOM 0 H LYS B 111 7.140 -4.635 -3.122 1.00 0.41 H new ATOM 0 HA LYS B 111 4.576 -4.968 -4.233 1.00 0.46 H new ATOM 0 HB2 LYS B 111 5.745 -2.952 -4.639 1.00 0.63 H new ATOM 0 HB3 LYS B 111 7.193 -3.784 -5.168 1.00 0.63 H new ATOM 0 HG2 LYS B 111 6.009 -4.525 -7.228 1.00 0.79 H new ATOM 0 HG3 LYS B 111 4.568 -3.678 -6.700 1.00 0.79 H new ATOM 0 HD2 LYS B 111 5.770 -1.535 -6.716 1.00 0.89 H new ATOM 0 HD3 LYS B 111 7.273 -2.346 -7.109 1.00 0.89 H new ATOM 0 HE2 LYS B 111 4.795 -2.284 -8.868 1.00 1.15 H new ATOM 0 HE3 LYS B 111 6.220 -1.287 -9.087 1.00 1.15 H new ATOM 0 HZ1 LYS B 111 6.449 -3.087 -10.546 1.00 1.89 H new ATOM 0 HZ2 LYS B 111 7.502 -3.439 -9.261 1.00 1.89 H new ATOM 0 HZ3 LYS B 111 6.004 -4.230 -9.371 1.00 1.89 H new ATOM 810 N ASP B 112 6.931 -6.772 -5.676 1.00 0.49 N ATOM 811 CA ASP B 112 7.151 -7.897 -6.582 1.00 0.58 C ATOM 812 C ASP B 112 6.584 -9.197 -6.009 1.00 0.53 C ATOM 813 O ASP B 112 6.158 -10.081 -6.752 1.00 0.63 O ATOM 814 CB ASP B 112 8.649 -8.059 -6.855 1.00 0.72 C ATOM 815 CG ASP B 112 8.946 -9.096 -7.918 1.00 2.65 C ATOM 816 OD1 ASP B 112 9.059 -10.291 -7.581 1.00 3.03 O ATOM 817 OD2 ASP B 112 9.084 -8.715 -9.100 1.00 3.08 O ATOM 0 H ASP B 112 7.779 -6.405 -5.244 1.00 0.49 H new ATOM 0 HA ASP B 112 6.629 -7.685 -7.515 1.00 0.58 H new ATOM 0 HB2 ASP B 112 9.062 -7.099 -7.165 1.00 0.72 H new ATOM 0 HB3 ASP B 112 9.153 -8.339 -5.930 1.00 0.72 H new ATOM 822 N SER B 113 6.561 -9.298 -4.688 1.00 0.44 N ATOM 823 CA SER B 113 6.168 -10.533 -4.021 1.00 0.43 C ATOM 824 C SER B 113 4.679 -10.559 -3.673 1.00 0.35 C ATOM 825 O SER B 113 4.105 -11.626 -3.449 1.00 0.40 O ATOM 826 CB SER B 113 6.997 -10.708 -2.752 1.00 0.44 C ATOM 827 OG SER B 113 8.385 -10.645 -3.038 1.00 0.55 O ATOM 0 H SER B 113 6.810 -8.538 -4.055 1.00 0.44 H new ATOM 0 HA SER B 113 6.353 -11.355 -4.712 1.00 0.43 H new ATOM 0 HB2 SER B 113 6.735 -9.932 -2.032 1.00 0.44 H new ATOM 0 HB3 SER B 113 6.761 -11.666 -2.288 1.00 0.44 H new ATOM 0 HG SER B 113 8.688 -9.714 -2.987 1.00 0.55 H new ATOM 833 N LEU B 114 4.063 -9.391 -3.617 1.00 0.27 N ATOM 834 CA LEU B 114 2.669 -9.277 -3.207 1.00 0.23 C ATOM 835 C LEU B 114 1.746 -9.821 -4.292 1.00 0.27 C ATOM 836 O LEU B 114 1.998 -9.642 -5.485 1.00 0.30 O ATOM 837 CB LEU B 114 2.343 -7.815 -2.914 1.00 0.17 C ATOM 838 CG LEU B 114 1.120 -7.568 -2.025 1.00 0.14 C ATOM 839 CD1 LEU B 114 1.462 -7.794 -0.558 1.00 0.14 C ATOM 840 CD2 LEU B 114 0.601 -6.160 -2.231 1.00 0.16 C ATOM 0 H LEU B 114 4.506 -8.503 -3.851 1.00 0.27 H new ATOM 0 HA LEU B 114 2.514 -9.867 -2.304 1.00 0.23 H new ATOM 0 HB2 LEU B 114 3.211 -7.357 -2.440 1.00 0.17 H new ATOM 0 HB3 LEU B 114 2.189 -7.300 -3.862 1.00 0.17 H new ATOM 0 HG LEU B 114 0.342 -8.277 -2.307 1.00 0.14 H new ATOM 0 HD11 LEU B 114 0.578 -7.613 0.054 1.00 0.14 H new ATOM 0 HD12 LEU B 114 1.797 -8.822 -0.417 1.00 0.14 H new ATOM 0 HD13 LEU B 114 2.256 -7.110 -0.260 1.00 0.14 H new ATOM 0 HD21 LEU B 114 -0.268 -5.996 -1.594 1.00 0.16 H new ATOM 0 HD22 LEU B 114 1.381 -5.443 -1.973 1.00 0.16 H new ATOM 0 HD23 LEU B 114 0.317 -6.026 -3.275 1.00 0.16 H new ATOM 852 N ASP B 115 0.684 -10.489 -3.868 1.00 0.29 N ATOM 853 CA ASP B 115 -0.254 -11.113 -4.795 1.00 0.34 C ATOM 854 C ASP B 115 -1.143 -10.061 -5.453 1.00 0.33 C ATOM 855 O ASP B 115 -1.687 -9.188 -4.780 1.00 0.29 O ATOM 856 CB ASP B 115 -1.115 -12.144 -4.061 1.00 0.37 C ATOM 857 CG ASP B 115 -1.926 -12.996 -5.015 1.00 0.49 C ATOM 858 OD1 ASP B 115 -3.074 -12.627 -5.321 1.00 1.23 O ATOM 859 OD2 ASP B 115 -1.409 -14.038 -5.472 1.00 1.21 O ATOM 0 H ASP B 115 0.448 -10.614 -2.884 1.00 0.29 H new ATOM 0 HA ASP B 115 0.318 -11.618 -5.574 1.00 0.34 H new ATOM 0 HB2 ASP B 115 -0.474 -12.787 -3.458 1.00 0.37 H new ATOM 0 HB3 ASP B 115 -1.788 -11.630 -3.374 1.00 0.37 H new ATOM 864 N PRO B 116 -1.303 -10.148 -6.787 1.00 0.41 N ATOM 865 CA PRO B 116 -2.054 -9.161 -7.583 1.00 0.46 C ATOM 866 C PRO B 116 -3.533 -9.074 -7.211 1.00 0.42 C ATOM 867 O PRO B 116 -4.209 -8.111 -7.577 1.00 0.47 O ATOM 868 CB PRO B 116 -1.899 -9.661 -9.022 1.00 0.55 C ATOM 869 CG PRO B 116 -1.591 -11.108 -8.883 1.00 0.55 C ATOM 870 CD PRO B 116 -0.764 -11.222 -7.637 1.00 0.50 C ATOM 0 HA PRO B 116 -1.671 -8.154 -7.416 1.00 0.46 H new ATOM 0 HB2 PRO B 116 -2.811 -9.503 -9.597 1.00 0.55 H new ATOM 0 HB3 PRO B 116 -1.099 -9.133 -9.541 1.00 0.55 H new ATOM 0 HG2 PRO B 116 -2.504 -11.698 -8.804 1.00 0.55 H new ATOM 0 HG3 PRO B 116 -1.046 -11.479 -9.751 1.00 0.55 H new ATOM 0 HD2 PRO B 116 -0.871 -12.200 -7.169 1.00 0.50 H new ATOM 0 HD3 PRO B 116 0.297 -11.081 -7.842 1.00 0.50 H new ATOM 878 N SER B 117 -4.040 -10.081 -6.499 1.00 0.36 N ATOM 879 CA SER B 117 -5.435 -10.078 -6.078 1.00 0.37 C ATOM 880 C SER B 117 -5.703 -8.892 -5.150 1.00 0.38 C ATOM 881 O SER B 117 -6.837 -8.425 -5.031 1.00 0.56 O ATOM 882 CB SER B 117 -5.789 -11.398 -5.389 1.00 0.37 C ATOM 883 OG SER B 117 -7.189 -11.516 -5.176 1.00 1.30 O ATOM 0 H SER B 117 -3.509 -10.901 -6.206 1.00 0.36 H new ATOM 0 HA SER B 117 -6.067 -9.976 -6.960 1.00 0.37 H new ATOM 0 HB2 SER B 117 -5.441 -12.232 -5.998 1.00 0.37 H new ATOM 0 HB3 SER B 117 -5.268 -11.462 -4.434 1.00 0.37 H new ATOM 0 HG SER B 117 -7.382 -12.370 -4.736 1.00 1.30 H new ATOM 889 N PHE B 118 -4.645 -8.389 -4.526 1.00 0.28 N ATOM 890 CA PHE B 118 -4.748 -7.208 -3.689 1.00 0.32 C ATOM 891 C PHE B 118 -4.411 -5.983 -4.518 1.00 0.44 C ATOM 892 O PHE B 118 -3.281 -5.496 -4.500 1.00 0.94 O ATOM 893 CB PHE B 118 -3.808 -7.300 -2.491 1.00 0.27 C ATOM 894 CG PHE B 118 -4.013 -8.527 -1.661 1.00 0.23 C ATOM 895 CD1 PHE B 118 -3.448 -9.735 -2.033 1.00 1.22 C ATOM 896 CD2 PHE B 118 -4.770 -8.473 -0.507 1.00 1.21 C ATOM 897 CE1 PHE B 118 -3.635 -10.866 -1.267 1.00 1.21 C ATOM 898 CE2 PHE B 118 -4.960 -9.598 0.265 1.00 1.23 C ATOM 899 CZ PHE B 118 -4.392 -10.798 -0.113 1.00 0.28 C ATOM 0 H PHE B 118 -3.706 -8.784 -4.586 1.00 0.28 H new ATOM 0 HA PHE B 118 -5.767 -7.133 -3.310 1.00 0.32 H new ATOM 0 HB2 PHE B 118 -2.778 -7.280 -2.846 1.00 0.27 H new ATOM 0 HB3 PHE B 118 -3.946 -6.420 -1.863 1.00 0.27 H new ATOM 0 HD1 PHE B 118 -2.854 -9.792 -2.933 1.00 1.22 H new ATOM 0 HD2 PHE B 118 -5.218 -7.538 -0.206 1.00 1.21 H new ATOM 0 HE1 PHE B 118 -3.191 -11.803 -1.568 1.00 1.21 H new ATOM 0 HE2 PHE B 118 -5.553 -9.541 1.166 1.00 1.23 H new ATOM 0 HZ PHE B 118 -4.539 -11.681 0.491 1.00 0.28 H new ATOM 909 N THR B 119 -5.399 -5.493 -5.240 1.00 0.39 N ATOM 910 CA THR B 119 -5.191 -4.413 -6.185 1.00 0.39 C ATOM 911 C THR B 119 -4.726 -3.135 -5.498 1.00 0.41 C ATOM 912 O THR B 119 -3.751 -2.514 -5.917 1.00 0.45 O ATOM 913 CB THR B 119 -6.477 -4.134 -6.973 1.00 0.44 C ATOM 914 OG1 THR B 119 -6.846 -5.304 -7.717 1.00 0.48 O ATOM 915 CG2 THR B 119 -6.294 -2.952 -7.916 1.00 0.45 C ATOM 0 H THR B 119 -6.361 -5.828 -5.190 1.00 0.39 H new ATOM 0 HA THR B 119 -4.405 -4.733 -6.869 1.00 0.39 H new ATOM 0 HB THR B 119 -7.270 -3.884 -6.268 1.00 0.44 H new ATOM 0 HG1 THR B 119 -7.669 -5.126 -8.219 1.00 0.48 H new ATOM 0 HG21 THR B 119 -7.221 -2.776 -8.462 1.00 0.45 H new ATOM 0 HG22 THR B 119 -6.038 -2.063 -7.340 1.00 0.45 H new ATOM 0 HG23 THR B 119 -5.492 -3.170 -8.622 1.00 0.45 H new ATOM 923 N HIS B 120 -5.419 -2.749 -4.444 1.00 0.44 N ATOM 924 CA HIS B 120 -5.135 -1.496 -3.773 1.00 0.51 C ATOM 925 C HIS B 120 -3.805 -1.563 -3.030 1.00 0.47 C ATOM 926 O HIS B 120 -3.025 -0.612 -3.061 1.00 0.57 O ATOM 927 CB HIS B 120 -6.285 -1.130 -2.843 1.00 0.60 C ATOM 928 CG HIS B 120 -7.582 -0.944 -3.574 1.00 0.92 C ATOM 929 ND1 HIS B 120 -7.711 -0.131 -4.680 1.00 1.09 N ATOM 930 CD2 HIS B 120 -8.794 -1.514 -3.387 1.00 1.19 C ATOM 931 CE1 HIS B 120 -8.948 -0.209 -5.137 1.00 1.40 C ATOM 932 NE2 HIS B 120 -9.627 -1.043 -4.373 1.00 1.47 N ATOM 0 H HIS B 120 -6.183 -3.286 -4.034 1.00 0.44 H new ATOM 0 HA HIS B 120 -5.042 -0.709 -4.521 1.00 0.51 H new ATOM 0 HB2 HIS B 120 -6.404 -1.912 -2.093 1.00 0.60 H new ATOM 0 HB3 HIS B 120 -6.038 -0.212 -2.310 1.00 0.60 H new ATOM 0 HD2 HIS B 120 -9.059 -2.211 -2.606 1.00 1.19 H new ATOM 0 HE1 HIS B 120 -9.338 0.321 -5.993 1.00 1.40 H new ATOM 0 HE2 HIS B 120 -10.608 -1.296 -4.494 1.00 1.47 H new ATOM 941 N ALA B 121 -3.547 -2.692 -2.382 1.00 0.37 N ATOM 942 CA ALA B 121 -2.263 -2.933 -1.726 1.00 0.33 C ATOM 943 C ALA B 121 -1.123 -2.846 -2.730 1.00 0.38 C ATOM 944 O ALA B 121 -0.068 -2.272 -2.460 1.00 0.47 O ATOM 945 CB ALA B 121 -2.271 -4.295 -1.053 1.00 0.27 C ATOM 0 H ALA B 121 -4.212 -3.460 -2.295 1.00 0.37 H new ATOM 0 HA ALA B 121 -2.110 -2.165 -0.968 1.00 0.33 H new ATOM 0 HB1 ALA B 121 -1.311 -4.466 -0.567 1.00 0.27 H new ATOM 0 HB2 ALA B 121 -3.066 -4.328 -0.308 1.00 0.27 H new ATOM 0 HB3 ALA B 121 -2.442 -5.069 -1.801 1.00 0.27 H new ATOM 951 N MET B 122 -1.374 -3.400 -3.900 1.00 0.35 N ATOM 952 CA MET B 122 -0.410 -3.386 -4.985 1.00 0.34 C ATOM 953 C MET B 122 -0.239 -1.979 -5.541 1.00 0.38 C ATOM 954 O MET B 122 0.867 -1.563 -5.888 1.00 0.41 O ATOM 955 CB MET B 122 -0.856 -4.347 -6.087 1.00 0.37 C ATOM 956 CG MET B 122 -0.507 -5.800 -5.816 1.00 0.38 C ATOM 957 SD MET B 122 1.132 -6.266 -6.424 1.00 0.49 S ATOM 958 CE MET B 122 2.189 -5.158 -5.500 1.00 0.63 C ATOM 0 H MET B 122 -2.250 -3.872 -4.126 1.00 0.35 H new ATOM 0 HA MET B 122 0.555 -3.713 -4.598 1.00 0.34 H new ATOM 0 HB2 MET B 122 -1.935 -4.261 -6.216 1.00 0.37 H new ATOM 0 HB3 MET B 122 -0.397 -4.043 -7.028 1.00 0.37 H new ATOM 0 HG2 MET B 122 -0.555 -5.984 -4.743 1.00 0.38 H new ATOM 0 HG3 MET B 122 -1.256 -6.440 -6.283 1.00 0.38 H new ATOM 0 HE1 MET B 122 3.231 -5.358 -5.748 1.00 0.63 H new ATOM 0 HE2 MET B 122 1.947 -4.126 -5.756 1.00 0.63 H new ATOM 0 HE3 MET B 122 2.034 -5.313 -4.432 1.00 0.63 H new ATOM 968 N GLN B 123 -1.340 -1.246 -5.605 1.00 0.44 N ATOM 969 CA GLN B 123 -1.316 0.122 -6.102 1.00 0.53 C ATOM 970 C GLN B 123 -0.574 1.046 -5.143 1.00 0.54 C ATOM 971 O GLN B 123 0.241 1.865 -5.575 1.00 0.62 O ATOM 972 CB GLN B 123 -2.735 0.631 -6.368 1.00 0.65 C ATOM 973 CG GLN B 123 -2.843 2.143 -6.481 1.00 0.83 C ATOM 974 CD GLN B 123 -4.270 2.613 -6.675 1.00 1.12 C ATOM 975 OE1 GLN B 123 -4.755 2.720 -7.800 1.00 1.60 O ATOM 976 NE2 GLN B 123 -4.953 2.905 -5.579 1.00 1.76 N ATOM 0 H GLN B 123 -2.262 -1.575 -5.319 1.00 0.44 H new ATOM 0 HA GLN B 123 -0.774 0.123 -7.048 1.00 0.53 H new ATOM 0 HB2 GLN B 123 -3.103 0.182 -7.290 1.00 0.65 H new ATOM 0 HB3 GLN B 123 -3.388 0.290 -5.564 1.00 0.65 H new ATOM 0 HG2 GLN B 123 -2.433 2.601 -5.581 1.00 0.83 H new ATOM 0 HG3 GLN B 123 -2.235 2.485 -7.318 1.00 0.83 H new ATOM 0 HE21 GLN B 123 -4.516 2.803 -4.663 1.00 1.76 H new ATOM 0 HE22 GLN B 123 -5.917 3.232 -5.650 1.00 1.76 H new ATOM 985 N LEU B 124 -0.828 0.914 -3.854 1.00 0.49 N ATOM 986 CA LEU B 124 -0.212 1.796 -2.875 1.00 0.50 C ATOM 987 C LEU B 124 1.294 1.547 -2.795 1.00 0.45 C ATOM 988 O LEU B 124 2.076 2.482 -2.618 1.00 0.52 O ATOM 989 CB LEU B 124 -0.901 1.660 -1.522 1.00 0.50 C ATOM 990 CG LEU B 124 -2.381 2.050 -1.533 1.00 0.56 C ATOM 991 CD1 LEU B 124 -3.095 1.502 -0.308 1.00 0.49 C ATOM 992 CD2 LEU B 124 -2.529 3.563 -1.601 1.00 0.83 C ATOM 0 H LEU B 124 -1.452 0.210 -3.461 1.00 0.49 H new ATOM 0 HA LEU B 124 -0.344 2.829 -3.196 1.00 0.50 H new ATOM 0 HB2 LEU B 124 -0.811 0.628 -1.182 1.00 0.50 H new ATOM 0 HB3 LEU B 124 -0.378 2.282 -0.796 1.00 0.50 H new ATOM 0 HG LEU B 124 -2.842 1.613 -2.419 1.00 0.56 H new ATOM 0 HD11 LEU B 124 -4.145 1.792 -0.339 1.00 0.49 H new ATOM 0 HD12 LEU B 124 -3.019 0.415 -0.299 1.00 0.49 H new ATOM 0 HD13 LEU B 124 -2.633 1.905 0.593 1.00 0.49 H new ATOM 0 HD21 LEU B 124 -3.587 3.825 -1.608 1.00 0.83 H new ATOM 0 HD22 LEU B 124 -2.049 4.015 -0.733 1.00 0.83 H new ATOM 0 HD23 LEU B 124 -2.057 3.934 -2.511 1.00 0.83 H new ATOM 1004 N LEU B 125 1.690 0.285 -2.949 1.00 0.37 N ATOM 1005 CA LEU B 125 3.106 -0.069 -3.030 1.00 0.35 C ATOM 1006 C LEU B 125 3.725 0.591 -4.248 1.00 0.46 C ATOM 1007 O LEU B 125 4.857 1.064 -4.207 1.00 0.52 O ATOM 1008 CB LEU B 125 3.291 -1.582 -3.145 1.00 0.28 C ATOM 1009 CG LEU B 125 3.265 -2.366 -1.838 1.00 0.25 C ATOM 1010 CD1 LEU B 125 3.196 -3.850 -2.140 1.00 0.21 C ATOM 1011 CD2 LEU B 125 4.502 -2.060 -1.005 1.00 0.33 C ATOM 0 H LEU B 125 1.052 -0.508 -3.020 1.00 0.37 H new ATOM 0 HA LEU B 125 3.593 0.277 -2.119 1.00 0.35 H new ATOM 0 HB2 LEU B 125 2.509 -1.974 -3.795 1.00 0.28 H new ATOM 0 HB3 LEU B 125 4.243 -1.774 -3.640 1.00 0.28 H new ATOM 0 HG LEU B 125 2.385 -2.070 -1.266 1.00 0.25 H new ATOM 0 HD11 LEU B 125 3.177 -4.411 -1.206 1.00 0.21 H new ATOM 0 HD12 LEU B 125 2.292 -4.064 -2.710 1.00 0.21 H new ATOM 0 HD13 LEU B 125 4.069 -4.144 -2.722 1.00 0.21 H new ATOM 0 HD21 LEU B 125 4.465 -2.629 -0.076 1.00 0.33 H new ATOM 0 HD22 LEU B 125 5.395 -2.337 -1.565 1.00 0.33 H new ATOM 0 HD23 LEU B 125 4.533 -0.995 -0.777 1.00 0.33 H new ATOM 1023 N THR B 126 2.958 0.631 -5.324 1.00 0.55 N ATOM 1024 CA THR B 126 3.445 1.193 -6.567 1.00 0.74 C ATOM 1025 C THR B 126 3.652 2.699 -6.427 1.00 0.92 C ATOM 1026 O THR B 126 4.698 3.234 -6.792 1.00 1.07 O ATOM 1027 CB THR B 126 2.460 0.911 -7.720 1.00 0.81 C ATOM 1028 OG1 THR B 126 2.324 -0.503 -7.913 1.00 0.86 O ATOM 1029 CG2 THR B 126 2.923 1.570 -9.012 1.00 0.91 C ATOM 0 H THR B 126 2.000 0.282 -5.360 1.00 0.55 H new ATOM 0 HA THR B 126 4.400 0.720 -6.797 1.00 0.74 H new ATOM 0 HB THR B 126 1.492 1.334 -7.451 1.00 0.81 H new ATOM 0 HG1 THR B 126 1.897 -0.901 -7.126 1.00 0.86 H new ATOM 0 HG21 THR B 126 2.209 1.354 -9.807 1.00 0.91 H new ATOM 0 HG22 THR B 126 2.989 2.648 -8.867 1.00 0.91 H new ATOM 0 HG23 THR B 126 3.903 1.180 -9.288 1.00 0.91 H new ATOM 1037 N ALA B 127 2.650 3.363 -5.857 1.00 0.96 N ATOM 1038 CA ALA B 127 2.650 4.814 -5.740 1.00 1.09 C ATOM 1039 C ALA B 127 3.803 5.326 -4.881 1.00 1.18 C ATOM 1040 O ALA B 127 4.470 6.297 -5.243 1.00 1.38 O ATOM 1041 CB ALA B 127 1.320 5.282 -5.172 1.00 1.18 C ATOM 0 H ALA B 127 1.822 2.912 -5.467 1.00 0.96 H new ATOM 0 HA ALA B 127 2.790 5.227 -6.739 1.00 1.09 H new ATOM 0 HB1 ALA B 127 1.323 6.369 -5.086 1.00 1.18 H new ATOM 0 HB2 ALA B 127 0.512 4.973 -5.835 1.00 1.18 H new ATOM 0 HB3 ALA B 127 1.169 4.840 -4.187 1.00 1.18 H new ATOM 1047 N GLU B 128 4.025 4.684 -3.737 1.00 1.12 N ATOM 1048 CA GLU B 128 5.106 5.082 -2.834 1.00 1.31 C ATOM 1049 C GLU B 128 6.455 4.951 -3.532 1.00 1.38 C ATOM 1050 O GLU B 128 7.332 5.802 -3.380 1.00 1.62 O ATOM 1051 CB GLU B 128 5.079 4.227 -1.569 1.00 1.35 C ATOM 1052 CG GLU B 128 6.133 4.592 -0.536 1.00 1.46 C ATOM 1053 CD GLU B 128 6.077 6.039 -0.097 1.00 1.46 C ATOM 1054 OE1 GLU B 128 7.026 6.792 -0.398 1.00 2.01 O ATOM 1055 OE2 GLU B 128 5.091 6.435 0.553 1.00 1.95 O ATOM 0 H GLU B 128 3.474 3.889 -3.413 1.00 1.12 H new ATOM 0 HA GLU B 128 4.960 6.125 -2.554 1.00 1.31 H new ATOM 0 HB2 GLU B 128 4.094 4.312 -1.110 1.00 1.35 H new ATOM 0 HB3 GLU B 128 5.211 3.182 -1.850 1.00 1.35 H new ATOM 0 HG2 GLU B 128 6.011 3.951 0.337 1.00 1.46 H new ATOM 0 HG3 GLU B 128 7.121 4.384 -0.948 1.00 1.46 H new ATOM 1062 N ILE B 129 6.600 3.898 -4.325 1.00 1.24 N ATOM 1063 CA ILE B 129 7.823 3.700 -5.083 1.00 1.42 C ATOM 1064 C ILE B 129 8.012 4.829 -6.086 1.00 1.64 C ATOM 1065 O ILE B 129 9.101 5.390 -6.201 1.00 1.92 O ATOM 1066 CB ILE B 129 7.834 2.339 -5.808 1.00 1.32 C ATOM 1067 CG1 ILE B 129 7.866 1.220 -4.774 1.00 1.14 C ATOM 1068 CG2 ILE B 129 9.024 2.227 -6.760 1.00 1.59 C ATOM 1069 CD1 ILE B 129 7.721 -0.157 -5.366 1.00 1.01 C ATOM 0 H ILE B 129 5.892 3.176 -4.458 1.00 1.24 H new ATOM 0 HA ILE B 129 8.652 3.705 -4.375 1.00 1.42 H new ATOM 0 HB ILE B 129 6.928 2.253 -6.409 1.00 1.32 H new ATOM 0 HG12 ILE B 129 8.806 1.272 -4.224 1.00 1.14 H new ATOM 0 HG13 ILE B 129 7.065 1.381 -4.052 1.00 1.14 H new ATOM 0 HG21 ILE B 129 9.003 1.256 -7.256 1.00 1.59 H new ATOM 0 HG22 ILE B 129 8.967 3.018 -7.508 1.00 1.59 H new ATOM 0 HG23 ILE B 129 9.952 2.327 -6.196 1.00 1.59 H new ATOM 0 HD11 ILE B 129 7.753 -0.901 -4.570 1.00 1.01 H new ATOM 0 HD12 ILE B 129 6.769 -0.229 -5.891 1.00 1.01 H new ATOM 0 HD13 ILE B 129 8.536 -0.340 -6.066 1.00 1.01 H new