USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 132 SER OG : rot 180:sc= 0.434 USER MOD Set 1.2: A 134 THR OG1 : rot 86:sc= 0.464 USER MOD Set 2.1: A 123 MET CE :methyl -162:sc= -7.54! (180deg=-9.39!) USER MOD Set 2.2: A 125 ASN : amide:sc= -0.623 K(o=-8.2,f=-9.3) USER MOD Set 3.1: A 122 LYS NZ :NH3+ -97:sc= 0 (180deg=0) USER MOD Set 3.2: A 124 MET CE :methyl -107:sc= -0.497 (180deg=-4.23!) USER MOD Single : A 81 HIS : no HD1:sc= -6.87! C(o=-6.9!,f=-6.5!) USER MOD Single : A 85 SER OG : rot -93:sc= 1.26 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 36:sc= 0.0969 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0.475 K(o=0.47,f=-4.4!) USER MOD Single : A 108 LYS NZ :NH3+ -159:sc=-0.00426 (180deg=-0.129) USER MOD Single : A 110 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.15) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0761 USER MOD Single : A 116 CYS SG : rot -114:sc= -0.168 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -3.96! C(o=-4!,f=-7.4!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 80:sc= -1.92 USER MOD Single : A 144 GLN : amide:sc= -0.57 K(o=-0.57,f=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 80 10.593 10.511 -2.927 1.00 0.00 N ATOM 47 CA GLY A 80 10.487 9.127 -3.351 1.00 0.00 C ATOM 48 C GLY A 80 9.279 8.883 -4.235 1.00 0.00 C ATOM 49 O GLY A 80 9.031 9.631 -5.181 1.00 0.00 O ATOM 0 HA2 GLY A 80 11.391 8.845 -3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.426 8.485 -2.473 1.00 0.00 H new ATOM 53 N HIS A 81 8.526 7.832 -3.926 1.00 0.00 N ATOM 54 CA HIS A 81 7.338 7.488 -4.699 1.00 0.00 C ATOM 55 C HIS A 81 6.189 7.086 -3.780 1.00 0.00 C ATOM 56 O HIS A 81 6.188 5.994 -3.211 1.00 0.00 O ATOM 57 CB HIS A 81 7.645 6.351 -5.677 1.00 0.00 C ATOM 58 CG HIS A 81 8.967 5.690 -5.436 1.00 0.00 C ATOM 59 ND1 HIS A 81 10.168 6.367 -5.481 1.00 0.00 N ATOM 60 CD2 HIS A 81 9.275 4.403 -5.142 1.00 0.00 C ATOM 61 CE1 HIS A 81 11.155 5.527 -5.227 1.00 0.00 C ATOM 62 NE2 HIS A 81 10.640 4.330 -5.017 1.00 0.00 N ATOM 0 H HIS A 81 8.718 7.204 -3.146 1.00 0.00 H new ATOM 0 HA HIS A 81 7.038 8.370 -5.264 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.856 5.602 -5.608 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.625 6.743 -6.694 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.577 3.587 -5.027 1.00 0.00 H new ATOM 0 HE1 HIS A 81 12.205 5.777 -5.196 1.00 0.00 H new ATOM 0 HE2 HIS A 81 11.171 3.487 -4.797 1.00 0.00 H new ATOM 71 N ILE A 82 5.212 7.975 -3.640 1.00 0.00 N ATOM 72 CA ILE A 82 4.057 7.714 -2.790 1.00 0.00 C ATOM 73 C ILE A 82 2.970 6.964 -3.553 1.00 0.00 C ATOM 74 O ILE A 82 2.638 7.315 -4.686 1.00 0.00 O ATOM 75 CB ILE A 82 3.466 9.021 -2.229 1.00 0.00 C ATOM 76 CG1 ILE A 82 4.556 9.844 -1.541 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.331 8.718 -1.262 1.00 0.00 C ATOM 78 CD1 ILE A 82 4.018 10.869 -0.568 1.00 0.00 C ATOM 0 H ILE A 82 5.197 8.883 -4.104 1.00 0.00 H new ATOM 0 HA ILE A 82 4.407 7.097 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 82 3.064 9.606 -3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.228 9.170 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.149 10.353 -2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.924 9.652 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.546 8.169 -1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.708 8.116 -0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.848 11.415 -0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.369 11.567 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.449 10.365 0.214 1.00 0.00 H new ATOM 90 N VAL A 83 2.420 5.929 -2.925 1.00 0.00 N ATOM 91 CA VAL A 83 1.371 5.129 -3.546 1.00 0.00 C ATOM 92 C VAL A 83 -0.002 5.499 -2.996 1.00 0.00 C ATOM 93 O VAL A 83 -0.465 4.918 -2.014 1.00 0.00 O ATOM 94 CB VAL A 83 1.610 3.624 -3.326 1.00 0.00 C ATOM 95 CG1 VAL A 83 0.514 2.806 -3.993 1.00 0.00 C ATOM 96 CG2 VAL A 83 2.980 3.218 -3.847 1.00 0.00 C ATOM 0 H VAL A 83 2.683 5.625 -1.988 1.00 0.00 H new ATOM 0 HA VAL A 83 1.401 5.343 -4.614 1.00 0.00 H new ATOM 0 HB VAL A 83 1.581 3.423 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.700 1.745 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.452 3.076 -3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.508 3.010 -5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.130 2.151 -3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.042 3.433 -4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.751 3.779 -3.319 1.00 0.00 H new ATOM 106 N ARG A 84 -0.649 6.468 -3.636 1.00 0.00 N ATOM 107 CA ARG A 84 -1.970 6.914 -3.212 1.00 0.00 C ATOM 108 C ARG A 84 -3.065 6.115 -3.912 1.00 0.00 C ATOM 109 O ARG A 84 -2.923 5.738 -5.075 1.00 0.00 O ATOM 110 CB ARG A 84 -2.147 8.406 -3.502 1.00 0.00 C ATOM 111 CG ARG A 84 -2.342 8.719 -4.977 1.00 0.00 C ATOM 112 CD ARG A 84 -1.708 10.048 -5.352 1.00 0.00 C ATOM 113 NE ARG A 84 -0.740 9.905 -6.436 1.00 0.00 N ATOM 114 CZ ARG A 84 -0.124 10.932 -7.013 1.00 0.00 C ATOM 115 NH1 ARG A 84 -0.375 12.171 -6.611 1.00 0.00 N ATOM 116 NH2 ARG A 84 0.744 10.721 -7.994 1.00 0.00 N ATOM 0 H ARG A 84 -0.279 6.959 -4.450 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.054 6.748 -2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.006 8.777 -2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.273 8.945 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.905 7.923 -5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.407 8.745 -5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.487 10.750 -5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.214 10.474 -4.478 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.525 8.965 -6.769 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.042 12.337 -5.857 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.099 12.957 -7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.939 9.770 -8.306 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.216 11.510 -8.436 1.00 0.00 H new ATOM 130 N SER A 85 -4.156 5.860 -3.197 1.00 0.00 N ATOM 131 CA SER A 85 -5.274 5.105 -3.750 1.00 0.00 C ATOM 132 C SER A 85 -6.059 5.950 -4.750 1.00 0.00 C ATOM 133 O SER A 85 -6.727 6.914 -4.375 1.00 0.00 O ATOM 134 CB SER A 85 -6.201 4.629 -2.630 1.00 0.00 C ATOM 135 OG SER A 85 -7.295 3.896 -3.150 1.00 0.00 O ATOM 0 H SER A 85 -4.289 6.165 -2.233 1.00 0.00 H new ATOM 0 HA SER A 85 -4.870 4.237 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.642 4.007 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.569 5.488 -2.069 1.00 0.00 H new ATOM 0 HG SER A 85 -8.054 4.499 -3.293 1.00 0.00 H new ATOM 141 N PRO A 86 -5.985 5.596 -6.041 1.00 0.00 N ATOM 142 CA PRO A 86 -6.687 6.321 -7.105 1.00 0.00 C ATOM 143 C PRO A 86 -8.180 6.463 -6.824 1.00 0.00 C ATOM 144 O PRO A 86 -8.761 7.528 -7.033 1.00 0.00 O ATOM 145 CB PRO A 86 -6.458 5.451 -8.344 1.00 0.00 C ATOM 146 CG PRO A 86 -5.209 4.695 -8.050 1.00 0.00 C ATOM 147 CD PRO A 86 -5.208 4.459 -6.565 1.00 0.00 C ATOM 0 HA PRO A 86 -6.318 7.341 -7.211 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.298 4.777 -8.515 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.350 6.060 -9.241 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.186 3.751 -8.595 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.329 5.261 -8.356 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.669 3.505 -6.309 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.196 4.443 -6.161 1.00 0.00 H new ATOM 155 N MET A 87 -8.795 5.385 -6.349 1.00 0.00 N ATOM 156 CA MET A 87 -10.221 5.393 -6.041 1.00 0.00 C ATOM 157 C MET A 87 -10.470 4.953 -4.602 1.00 0.00 C ATOM 158 O MET A 87 -9.554 4.514 -3.907 1.00 0.00 O ATOM 159 CB MET A 87 -10.978 4.477 -7.006 1.00 0.00 C ATOM 160 CG MET A 87 -10.383 3.082 -7.114 1.00 0.00 C ATOM 161 SD MET A 87 -11.644 1.798 -7.233 1.00 0.00 S ATOM 162 CE MET A 87 -11.932 1.768 -9.000 1.00 0.00 C ATOM 0 H MET A 87 -8.329 4.496 -6.169 1.00 0.00 H new ATOM 0 HA MET A 87 -10.586 6.413 -6.158 1.00 0.00 H new ATOM 0 HB2 MET A 87 -12.015 4.396 -6.679 1.00 0.00 H new ATOM 0 HB3 MET A 87 -10.990 4.935 -7.995 1.00 0.00 H new ATOM 0 HG2 MET A 87 -9.736 3.034 -7.990 1.00 0.00 H new ATOM 0 HG3 MET A 87 -9.755 2.890 -6.244 1.00 0.00 H new ATOM 0 HE1 MET A 87 -12.690 1.020 -9.232 1.00 0.00 H new ATOM 0 HE2 MET A 87 -12.276 2.748 -9.329 1.00 0.00 H new ATOM 0 HE3 MET A 87 -11.005 1.517 -9.516 1.00 0.00 H new ATOM 172 N VAL A 88 -11.718 5.073 -4.161 1.00 0.00 N ATOM 173 CA VAL A 88 -12.092 4.689 -2.806 1.00 0.00 C ATOM 174 C VAL A 88 -11.979 3.180 -2.613 1.00 0.00 C ATOM 175 O VAL A 88 -11.929 2.422 -3.583 1.00 0.00 O ATOM 176 CB VAL A 88 -13.528 5.137 -2.473 1.00 0.00 C ATOM 177 CG1 VAL A 88 -14.029 4.456 -1.206 1.00 0.00 C ATOM 178 CG2 VAL A 88 -13.595 6.651 -2.335 1.00 0.00 C ATOM 0 H VAL A 88 -12.488 5.434 -4.724 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.399 5.190 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.179 4.838 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.045 4.788 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.023 3.375 -1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -13.378 4.717 -0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.616 6.950 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.929 6.973 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.288 7.116 -3.272 1.00 0.00 H new ATOM 188 N GLY A 89 -11.939 2.749 -1.356 1.00 0.00 N ATOM 189 CA GLY A 89 -11.832 1.332 -1.061 1.00 0.00 C ATOM 190 C GLY A 89 -11.481 1.066 0.390 1.00 0.00 C ATOM 191 O GLY A 89 -12.034 1.691 1.294 1.00 0.00 O ATOM 0 H GLY A 89 -11.979 3.356 -0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.776 0.842 -1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.072 0.887 -1.703 1.00 0.00 H new ATOM 195 N THR A 90 -10.558 0.135 0.610 1.00 0.00 N ATOM 196 CA THR A 90 -10.133 -0.215 1.961 1.00 0.00 C ATOM 197 C THR A 90 -8.670 -0.644 1.976 1.00 0.00 C ATOM 198 O THR A 90 -8.285 -1.596 1.296 1.00 0.00 O ATOM 199 CB THR A 90 -11.008 -1.337 2.521 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.373 -1.100 2.228 1.00 0.00 O ATOM 201 CG2 THR A 90 -10.881 -1.502 4.020 1.00 0.00 C ATOM 0 H THR A 90 -10.090 -0.390 -0.129 1.00 0.00 H new ATOM 0 HA THR A 90 -10.243 0.670 2.589 1.00 0.00 H new ATOM 0 HB THR A 90 -10.654 -2.249 2.041 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.917 -1.829 2.593 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.527 -2.314 4.353 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.847 -1.734 4.274 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.177 -0.577 4.514 1.00 0.00 H new ATOM 209 N PHE A 91 -7.858 0.062 2.756 1.00 0.00 N ATOM 210 CA PHE A 91 -6.438 -0.248 2.860 1.00 0.00 C ATOM 211 C PHE A 91 -6.192 -1.297 3.940 1.00 0.00 C ATOM 212 O PHE A 91 -7.098 -1.641 4.699 1.00 0.00 O ATOM 213 CB PHE A 91 -5.638 1.019 3.167 1.00 0.00 C ATOM 214 CG PHE A 91 -4.152 0.826 3.079 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.579 0.252 1.949 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.325 1.216 4.127 1.00 0.00 C ATOM 217 CE1 PHE A 91 -2.207 0.072 1.866 1.00 0.00 C ATOM 218 CE2 PHE A 91 -1.953 1.038 4.049 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.394 0.465 2.918 1.00 0.00 C ATOM 0 H PHE A 91 -8.160 0.853 3.325 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.106 -0.652 1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.936 1.804 2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.892 1.366 4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.209 -0.057 1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.757 1.662 5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.772 -0.374 0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.320 1.345 4.869 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.325 0.325 2.856 1.00 0.00 H new ATOM 229 N TYR A 92 -4.965 -1.802 4.004 1.00 0.00 N ATOM 230 CA TYR A 92 -4.608 -2.812 4.992 1.00 0.00 C ATOM 231 C TYR A 92 -3.095 -2.897 5.166 1.00 0.00 C ATOM 232 O TYR A 92 -2.339 -2.242 4.448 1.00 0.00 O ATOM 233 CB TYR A 92 -5.160 -4.174 4.579 1.00 0.00 C ATOM 234 CG TYR A 92 -6.558 -4.445 5.089 1.00 0.00 C ATOM 235 CD1 TYR A 92 -6.812 -4.551 6.455 1.00 0.00 C ATOM 236 CD2 TYR A 92 -7.624 -4.598 4.204 1.00 0.00 C ATOM 237 CE1 TYR A 92 -8.092 -4.801 6.926 1.00 0.00 C ATOM 238 CE2 TYR A 92 -8.906 -4.847 4.667 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.135 -4.947 6.028 1.00 0.00 C ATOM 240 OH TYR A 92 -10.406 -5.195 6.491 1.00 0.00 O ATOM 0 H TYR A 92 -4.202 -1.529 3.384 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.048 -2.521 5.946 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.161 -4.241 3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.492 -4.953 4.946 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.000 -4.437 7.157 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.448 -4.521 3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.274 -4.881 7.988 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.722 -4.962 3.969 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.022 -5.270 5.732 1.00 0.00 H new ATOM 250 N ARG A 93 -2.660 -3.711 6.123 1.00 0.00 N ATOM 251 CA ARG A 93 -1.237 -3.885 6.390 1.00 0.00 C ATOM 252 C ARG A 93 -0.897 -5.356 6.607 1.00 0.00 C ATOM 253 O ARG A 93 0.232 -5.694 6.966 1.00 0.00 O ATOM 254 CB ARG A 93 -0.824 -3.071 7.617 1.00 0.00 C ATOM 255 CG ARG A 93 -1.671 -1.827 7.835 1.00 0.00 C ATOM 256 CD ARG A 93 -0.822 -0.645 8.270 1.00 0.00 C ATOM 257 NE ARG A 93 -1.293 -0.065 9.525 1.00 0.00 N ATOM 258 CZ ARG A 93 -0.662 0.913 10.166 1.00 0.00 C ATOM 259 NH1 ARG A 93 0.462 1.414 9.673 1.00 0.00 N ATOM 260 NH2 ARG A 93 -1.155 1.390 11.301 1.00 0.00 N ATOM 0 H ARG A 93 -3.273 -4.260 6.726 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.686 -3.528 5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.889 -3.704 8.502 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.220 -2.776 7.512 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.198 -1.578 6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.429 -2.030 8.591 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.214 -0.965 8.385 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.835 0.117 7.491 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.154 -0.431 9.932 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.844 1.049 8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.945 2.165 10.166 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.019 1.006 11.683 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.670 2.141 11.792 1.00 0.00 H new ATOM 274 N THR A 94 -1.877 -6.228 6.389 1.00 0.00 N ATOM 275 CA THR A 94 -1.676 -7.660 6.563 1.00 0.00 C ATOM 276 C THR A 94 -2.612 -8.455 5.659 1.00 0.00 C ATOM 277 O THR A 94 -3.832 -8.368 5.784 1.00 0.00 O ATOM 278 CB THR A 94 -1.906 -8.057 8.022 1.00 0.00 C ATOM 279 OG1 THR A 94 -3.094 -7.469 8.520 1.00 0.00 O ATOM 280 CG2 THR A 94 -0.773 -7.650 8.941 1.00 0.00 C ATOM 0 H THR A 94 -2.817 -5.967 6.092 1.00 0.00 H new ATOM 0 HA THR A 94 -0.647 -7.891 6.287 1.00 0.00 H new ATOM 0 HB THR A 94 -1.975 -9.145 8.017 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.767 -7.438 7.808 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.001 -7.962 9.960 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.151 -8.127 8.614 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.652 -6.567 8.912 1.00 0.00 H new ATOM 288 N PRO A 95 -2.046 -9.247 4.735 1.00 0.00 N ATOM 289 CA PRO A 95 -2.830 -10.066 3.806 1.00 0.00 C ATOM 290 C PRO A 95 -3.807 -10.981 4.531 1.00 0.00 C ATOM 291 O PRO A 95 -4.327 -10.637 5.592 1.00 0.00 O ATOM 292 CB PRO A 95 -1.771 -10.894 3.073 1.00 0.00 C ATOM 293 CG PRO A 95 -0.514 -10.105 3.200 1.00 0.00 C ATOM 294 CD PRO A 95 -0.596 -9.406 4.527 1.00 0.00 C ATOM 0 HA PRO A 95 -3.443 -9.455 3.144 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.664 -11.883 3.519 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.040 -11.043 2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.360 -10.754 3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.420 -9.387 2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.138 -9.995 5.321 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.084 -8.444 4.508 1.00 0.00 H new ATOM 349 N LYS A 100 1.670 -12.874 6.706 1.00 0.00 N ATOM 350 CA LYS A 100 2.905 -12.429 7.339 1.00 0.00 C ATOM 351 C LYS A 100 3.059 -10.916 7.233 1.00 0.00 C ATOM 352 O LYS A 100 4.173 -10.399 7.156 1.00 0.00 O ATOM 353 CB LYS A 100 4.109 -13.122 6.698 1.00 0.00 C ATOM 354 CG LYS A 100 4.377 -12.673 5.271 1.00 0.00 C ATOM 355 CD LYS A 100 5.804 -12.179 5.102 1.00 0.00 C ATOM 356 CE LYS A 100 6.415 -12.675 3.801 1.00 0.00 C ATOM 357 NZ LYS A 100 7.573 -11.840 3.378 1.00 0.00 N ATOM 0 HA LYS A 100 2.859 -12.697 8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.994 -12.929 7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 100 3.945 -14.200 6.707 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.194 -13.502 4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.681 -11.878 5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.817 -11.089 5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.410 -12.518 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.738 -13.709 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.657 -12.668 3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.961 -12.211 2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.260 -10.858 3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.308 -11.867 4.114 1.00 0.00 H new ATOM 371 N ALA A 101 1.933 -10.212 7.231 1.00 0.00 N ATOM 372 CA ALA A 101 1.941 -8.758 7.137 1.00 0.00 C ATOM 373 C ALA A 101 2.599 -8.289 5.843 1.00 0.00 C ATOM 374 O ALA A 101 3.658 -8.784 5.456 1.00 0.00 O ATOM 375 CB ALA A 101 2.653 -8.160 8.339 1.00 0.00 C ATOM 0 H ALA A 101 1.003 -10.625 7.293 1.00 0.00 H new ATOM 0 HA ALA A 101 0.907 -8.415 7.129 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.653 -7.073 8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.137 -8.456 9.252 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.681 -8.521 8.370 1.00 0.00 H new ATOM 381 N PHE A 102 1.963 -7.329 5.179 1.00 0.00 N ATOM 382 CA PHE A 102 2.483 -6.787 3.929 1.00 0.00 C ATOM 383 C PHE A 102 3.634 -5.821 4.198 1.00 0.00 C ATOM 384 O PHE A 102 4.141 -5.744 5.317 1.00 0.00 O ATOM 385 CB PHE A 102 1.369 -6.074 3.159 1.00 0.00 C ATOM 386 CG PHE A 102 0.722 -6.930 2.107 1.00 0.00 C ATOM 387 CD1 PHE A 102 1.485 -7.795 1.330 1.00 0.00 C ATOM 388 CD2 PHE A 102 -0.651 -6.872 1.894 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.891 -8.586 0.359 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.250 -7.660 0.924 1.00 0.00 C ATOM 391 CZ PHE A 102 -0.479 -8.517 0.155 1.00 0.00 C ATOM 0 H PHE A 102 1.085 -6.910 5.487 1.00 0.00 H new ATOM 0 HA PHE A 102 2.859 -7.614 3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.607 -5.741 3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.779 -5.181 2.687 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.552 -7.851 1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.257 -6.206 2.491 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.494 -9.255 -0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.317 -7.606 0.767 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.944 -9.130 -0.602 1.00 0.00 H new ATOM 401 N ILE A 103 4.043 -5.086 3.168 1.00 0.00 N ATOM 402 CA ILE A 103 5.134 -4.128 3.302 1.00 0.00 C ATOM 403 C ILE A 103 4.721 -2.950 4.180 1.00 0.00 C ATOM 404 O ILE A 103 4.138 -1.980 3.699 1.00 0.00 O ATOM 405 CB ILE A 103 5.589 -3.594 1.931 1.00 0.00 C ATOM 406 CG1 ILE A 103 5.532 -4.705 0.880 1.00 0.00 C ATOM 407 CG2 ILE A 103 6.995 -3.019 2.025 1.00 0.00 C ATOM 408 CD1 ILE A 103 6.180 -5.995 1.330 1.00 0.00 C ATOM 0 H ILE A 103 3.636 -5.136 2.234 1.00 0.00 H new ATOM 0 HA ILE A 103 5.964 -4.658 3.769 1.00 0.00 H new ATOM 0 HB ILE A 103 4.911 -2.797 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.490 -4.900 0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.023 -4.359 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.302 -2.646 1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 103 7.006 -2.201 2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.686 -3.798 2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 103 6.103 -6.737 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 103 7.231 -5.815 1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.674 -6.364 2.222 1.00 0.00 H new ATOM 420 N GLU A 104 5.027 -3.045 5.470 1.00 0.00 N ATOM 421 CA GLU A 104 4.687 -1.987 6.415 1.00 0.00 C ATOM 422 C GLU A 104 5.818 -0.970 6.523 1.00 0.00 C ATOM 423 O GLU A 104 6.836 -1.083 5.841 1.00 0.00 O ATOM 424 CB GLU A 104 4.386 -2.577 7.793 1.00 0.00 C ATOM 425 CG GLU A 104 4.318 -4.096 7.809 1.00 0.00 C ATOM 426 CD GLU A 104 3.938 -4.648 9.169 1.00 0.00 C ATOM 427 OE1 GLU A 104 4.151 -3.941 10.178 1.00 0.00 O ATOM 428 OE2 GLU A 104 3.429 -5.787 9.226 1.00 0.00 O ATOM 0 H GLU A 104 5.509 -3.843 5.885 1.00 0.00 H new ATOM 0 HA GLU A 104 3.797 -1.479 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.154 -2.250 8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.437 -2.176 8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.591 -4.431 7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.285 -4.503 7.513 1.00 0.00 H new ATOM 435 N VAL A 105 5.632 0.024 7.386 1.00 0.00 N ATOM 436 CA VAL A 105 6.637 1.060 7.583 1.00 0.00 C ATOM 437 C VAL A 105 7.935 0.469 8.121 1.00 0.00 C ATOM 438 O VAL A 105 7.921 -0.371 9.020 1.00 0.00 O ATOM 439 CB VAL A 105 6.141 2.147 8.555 1.00 0.00 C ATOM 440 CG1 VAL A 105 7.160 3.270 8.667 1.00 0.00 C ATOM 441 CG2 VAL A 105 4.790 2.685 8.110 1.00 0.00 C ATOM 0 H VAL A 105 4.795 0.133 7.959 1.00 0.00 H new ATOM 0 HA VAL A 105 6.821 1.512 6.608 1.00 0.00 H new ATOM 0 HB VAL A 105 6.021 1.699 9.541 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.791 4.028 9.358 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.104 2.869 9.037 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.316 3.719 7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.456 3.452 8.809 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.881 3.117 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.064 1.872 8.088 1.00 0.00 H new ATOM 451 N GLY A 106 9.056 0.913 7.563 1.00 0.00 N ATOM 452 CA GLY A 106 10.348 0.416 7.998 1.00 0.00 C ATOM 453 C GLY A 106 10.835 -0.746 7.157 1.00 0.00 C ATOM 454 O GLY A 106 11.990 -1.158 7.263 1.00 0.00 O ATOM 0 H GLY A 106 9.093 1.608 6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.078 1.224 7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.282 0.104 9.040 1.00 0.00 H new ATOM 458 N GLN A 107 9.951 -1.278 6.317 1.00 0.00 N ATOM 459 CA GLN A 107 10.298 -2.400 5.453 1.00 0.00 C ATOM 460 C GLN A 107 10.915 -1.904 4.145 1.00 0.00 C ATOM 461 O GLN A 107 10.705 -0.758 3.750 1.00 0.00 O ATOM 462 CB GLN A 107 9.055 -3.245 5.160 1.00 0.00 C ATOM 463 CG GLN A 107 9.277 -4.315 4.103 1.00 0.00 C ATOM 464 CD GLN A 107 10.094 -5.483 4.619 1.00 0.00 C ATOM 465 OE1 GLN A 107 11.315 -5.395 4.747 1.00 0.00 O ATOM 466 NE2 GLN A 107 9.421 -6.588 4.918 1.00 0.00 N ATOM 0 H GLN A 107 8.990 -0.950 6.217 1.00 0.00 H new ATOM 0 HA GLN A 107 11.033 -3.017 5.970 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.725 -3.722 6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.248 -2.588 4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.312 -4.679 3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.783 -3.873 3.245 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.409 -6.617 4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.916 -7.408 5.269 1.00 0.00 H new ATOM 475 N LYS A 108 11.676 -2.769 3.479 1.00 0.00 N ATOM 476 CA LYS A 108 12.319 -2.405 2.222 1.00 0.00 C ATOM 477 C LYS A 108 12.546 -3.633 1.346 1.00 0.00 C ATOM 478 O LYS A 108 13.507 -4.376 1.541 1.00 0.00 O ATOM 479 CB LYS A 108 13.651 -1.704 2.489 1.00 0.00 C ATOM 480 CG LYS A 108 13.676 -0.927 3.796 1.00 0.00 C ATOM 481 CD LYS A 108 13.787 -1.857 4.992 1.00 0.00 C ATOM 482 CE LYS A 108 14.826 -1.363 5.986 1.00 0.00 C ATOM 483 NZ LYS A 108 16.207 -1.457 5.438 1.00 0.00 N ATOM 0 H LYS A 108 11.861 -3.723 3.788 1.00 0.00 H new ATOM 0 HA LYS A 108 11.655 -1.722 1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 108 14.448 -2.448 2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.865 -1.022 1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 108 14.517 -0.234 3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.770 -0.328 3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.818 -1.935 5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.053 -2.858 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.611 -0.328 6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.759 -1.949 6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.892 -1.460 6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.304 -2.335 4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.392 -0.641 4.820 1.00 0.00 H new ATOM 497 N VAL A 109 11.658 -3.838 0.379 1.00 0.00 N ATOM 498 CA VAL A 109 11.765 -4.974 -0.528 1.00 0.00 C ATOM 499 C VAL A 109 12.199 -4.525 -1.919 1.00 0.00 C ATOM 500 O VAL A 109 12.167 -3.336 -2.235 1.00 0.00 O ATOM 501 CB VAL A 109 10.431 -5.735 -0.640 1.00 0.00 C ATOM 502 CG1 VAL A 109 10.151 -6.514 0.635 1.00 0.00 C ATOM 503 CG2 VAL A 109 9.292 -4.776 -0.949 1.00 0.00 C ATOM 0 H VAL A 109 10.856 -3.232 0.204 1.00 0.00 H new ATOM 0 HA VAL A 109 12.519 -5.641 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 109 10.509 -6.446 -1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.204 -7.045 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.953 -7.232 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.094 -5.825 1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.358 -5.333 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.211 -4.038 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.489 -4.269 -1.894 1.00 0.00 H new ATOM 513 N ASN A 110 12.605 -5.483 -2.745 1.00 0.00 N ATOM 514 CA ASN A 110 13.047 -5.183 -4.103 1.00 0.00 C ATOM 515 C ASN A 110 11.953 -5.511 -5.114 1.00 0.00 C ATOM 516 O ASN A 110 11.110 -6.374 -4.873 1.00 0.00 O ATOM 517 CB ASN A 110 14.317 -5.969 -4.434 1.00 0.00 C ATOM 518 CG ASN A 110 14.151 -7.460 -4.216 1.00 0.00 C ATOM 519 OD1 ASN A 110 13.664 -8.176 -5.091 1.00 0.00 O ATOM 520 ND2 ASN A 110 14.555 -7.935 -3.044 1.00 0.00 N ATOM 0 H ASN A 110 12.637 -6.472 -2.499 1.00 0.00 H new ATOM 0 HA ASN A 110 13.264 -4.116 -4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 110 14.594 -5.786 -5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 110 15.138 -5.604 -3.816 1.00 0.00 H new ATOM 0 HD21 ASN A 110 14.467 -8.930 -2.840 1.00 0.00 H new ATOM 0 HD22 ASN A 110 14.953 -7.304 -2.348 1.00 0.00 H new ATOM 527 N VAL A 111 11.976 -4.816 -6.247 1.00 0.00 N ATOM 528 CA VAL A 111 10.986 -5.033 -7.296 1.00 0.00 C ATOM 529 C VAL A 111 10.597 -6.504 -7.388 1.00 0.00 C ATOM 530 O VAL A 111 11.452 -7.388 -7.329 1.00 0.00 O ATOM 531 CB VAL A 111 11.509 -4.567 -8.668 1.00 0.00 C ATOM 532 CG1 VAL A 111 10.442 -4.748 -9.736 1.00 0.00 C ATOM 533 CG2 VAL A 111 11.968 -3.118 -8.600 1.00 0.00 C ATOM 0 H VAL A 111 12.669 -4.099 -6.462 1.00 0.00 H new ATOM 0 HA VAL A 111 10.109 -4.443 -7.030 1.00 0.00 H new ATOM 0 HB VAL A 111 12.367 -5.183 -8.938 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.830 -4.413 -10.698 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.168 -5.801 -9.802 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.562 -4.160 -9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 111 12.334 -2.806 -9.578 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.131 -2.484 -8.307 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.768 -3.024 -7.866 1.00 0.00 H new ATOM 543 N GLY A 112 9.301 -6.760 -7.533 1.00 0.00 N ATOM 544 CA GLY A 112 8.822 -8.127 -7.631 1.00 0.00 C ATOM 545 C GLY A 112 8.052 -8.561 -6.399 1.00 0.00 C ATOM 546 O GLY A 112 7.299 -9.534 -6.441 1.00 0.00 O ATOM 0 H GLY A 112 8.574 -6.046 -7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 112 8.182 -8.223 -8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.670 -8.796 -7.780 1.00 0.00 H new ATOM 550 N ASP A 113 8.241 -7.838 -5.300 1.00 0.00 N ATOM 551 CA ASP A 113 7.558 -8.155 -4.050 1.00 0.00 C ATOM 552 C ASP A 113 6.192 -7.479 -3.990 1.00 0.00 C ATOM 553 O ASP A 113 5.924 -6.530 -4.727 1.00 0.00 O ATOM 554 CB ASP A 113 8.407 -7.720 -2.857 1.00 0.00 C ATOM 555 CG ASP A 113 8.896 -8.897 -2.036 1.00 0.00 C ATOM 556 OD1 ASP A 113 8.465 -10.036 -2.315 1.00 0.00 O ATOM 557 OD2 ASP A 113 9.710 -8.680 -1.113 1.00 0.00 O ATOM 0 H ASP A 113 8.861 -7.029 -5.249 1.00 0.00 H new ATOM 0 HA ASP A 113 7.412 -9.234 -4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.264 -7.148 -3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.822 -7.055 -2.221 1.00 0.00 H new ATOM 562 N THR A 114 5.331 -7.972 -3.106 1.00 0.00 N ATOM 563 CA THR A 114 3.993 -7.415 -2.949 1.00 0.00 C ATOM 564 C THR A 114 4.051 -6.046 -2.280 1.00 0.00 C ATOM 565 O THR A 114 5.131 -5.529 -1.991 1.00 0.00 O ATOM 566 CB THR A 114 3.116 -8.360 -2.126 1.00 0.00 C ATOM 567 OG1 THR A 114 3.714 -9.642 -2.030 1.00 0.00 O ATOM 568 CG2 THR A 114 1.730 -8.543 -2.703 1.00 0.00 C ATOM 0 H THR A 114 5.536 -8.756 -2.487 1.00 0.00 H new ATOM 0 HA THR A 114 3.556 -7.298 -3.941 1.00 0.00 H new ATOM 0 HB THR A 114 3.025 -7.891 -1.146 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.140 -10.232 -1.499 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.160 -9.225 -2.072 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.223 -7.579 -2.746 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.806 -8.958 -3.708 1.00 0.00 H new ATOM 576 N LEU A 115 2.882 -5.462 -2.037 1.00 0.00 N ATOM 577 CA LEU A 115 2.799 -4.152 -1.402 1.00 0.00 C ATOM 578 C LEU A 115 1.657 -4.108 -0.392 1.00 0.00 C ATOM 579 O LEU A 115 1.886 -4.085 0.817 1.00 0.00 O ATOM 580 CB LEU A 115 2.607 -3.060 -2.456 1.00 0.00 C ATOM 581 CG LEU A 115 2.914 -1.639 -1.980 1.00 0.00 C ATOM 582 CD1 LEU A 115 4.288 -1.201 -2.463 1.00 0.00 C ATOM 583 CD2 LEU A 115 1.845 -0.671 -2.461 1.00 0.00 C ATOM 0 H LEU A 115 1.979 -5.875 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 115 3.735 -3.974 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.244 -3.286 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.576 -3.094 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 115 2.914 -1.634 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.490 -0.188 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 115 5.045 -1.878 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.315 -1.223 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.081 0.334 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.811 -0.679 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.875 -0.974 -2.066 1.00 0.00 H new ATOM 595 N CYS A 116 0.427 -4.096 -0.896 1.00 0.00 N ATOM 596 CA CYS A 116 -0.750 -4.053 -0.035 1.00 0.00 C ATOM 597 C CYS A 116 -2.034 -4.114 -0.858 1.00 0.00 C ATOM 598 O CYS A 116 -2.050 -3.734 -2.029 1.00 0.00 O ATOM 599 CB CYS A 116 -0.739 -2.783 0.816 1.00 0.00 C ATOM 600 SG CYS A 116 -0.158 -3.036 2.509 1.00 0.00 S ATOM 0 H CYS A 116 0.219 -4.115 -1.894 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.719 -4.924 0.620 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.105 -2.040 0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -1.747 -2.370 0.847 1.00 0.00 H new ATOM 0 HG CYS A 116 -1.133 -2.816 3.340 1.00 0.00 H new ATOM 606 N ILE A 117 -3.108 -4.593 -0.237 1.00 0.00 N ATOM 607 CA ILE A 117 -4.396 -4.703 -0.910 1.00 0.00 C ATOM 608 C ILE A 117 -5.198 -3.411 -0.778 1.00 0.00 C ATOM 609 O ILE A 117 -5.127 -2.725 0.241 1.00 0.00 O ATOM 610 CB ILE A 117 -5.232 -5.871 -0.347 1.00 0.00 C ATOM 611 CG1 ILE A 117 -4.626 -7.212 -0.761 1.00 0.00 C ATOM 612 CG2 ILE A 117 -6.670 -5.777 -0.828 1.00 0.00 C ATOM 613 CD1 ILE A 117 -4.786 -8.294 0.286 1.00 0.00 C ATOM 0 H ILE A 117 -3.111 -4.911 0.732 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.185 -4.893 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.223 -5.804 0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.094 -7.543 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.565 -7.074 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.245 -6.609 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.105 -4.836 -0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.693 -5.818 -1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.333 -9.218 -0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.294 -7.984 1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.846 -8.460 0.479 1.00 0.00 H new ATOM 625 N VAL A 118 -5.964 -3.093 -1.816 1.00 0.00 N ATOM 626 CA VAL A 118 -6.788 -1.891 -1.819 1.00 0.00 C ATOM 627 C VAL A 118 -8.229 -2.222 -1.449 1.00 0.00 C ATOM 628 O VAL A 118 -8.985 -1.355 -1.008 1.00 0.00 O ATOM 629 CB VAL A 118 -6.771 -1.200 -3.197 1.00 0.00 C ATOM 630 CG1 VAL A 118 -7.292 0.224 -3.088 1.00 0.00 C ATOM 631 CG2 VAL A 118 -5.368 -1.218 -3.787 1.00 0.00 C ATOM 0 H VAL A 118 -6.031 -3.652 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.366 -1.213 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.430 -1.753 -3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.272 0.695 -4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.315 0.209 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.662 0.790 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.376 -0.726 -4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -4.686 -0.692 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.036 -2.250 -3.905 1.00 0.00 H new ATOM 641 N GLU A 119 -8.600 -3.486 -1.630 1.00 0.00 N ATOM 642 CA GLU A 119 -9.948 -3.943 -1.314 1.00 0.00 C ATOM 643 C GLU A 119 -10.990 -2.921 -1.754 1.00 0.00 C ATOM 644 O GLU A 119 -11.984 -2.697 -1.064 1.00 0.00 O ATOM 645 CB GLU A 119 -10.082 -4.213 0.186 1.00 0.00 C ATOM 646 CG GLU A 119 -11.491 -4.586 0.616 1.00 0.00 C ATOM 647 CD GLU A 119 -11.522 -5.812 1.509 1.00 0.00 C ATOM 648 OE1 GLU A 119 -10.544 -6.026 2.255 1.00 0.00 O ATOM 649 OE2 GLU A 119 -12.524 -6.555 1.461 1.00 0.00 O ATOM 0 H GLU A 119 -7.984 -4.213 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.124 -4.870 -1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.402 -5.018 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -9.767 -3.326 0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -11.941 -3.745 1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -12.100 -4.770 -0.269 1.00 0.00 H new ATOM 656 N ALA A 120 -10.758 -2.305 -2.908 1.00 0.00 N ATOM 657 CA ALA A 120 -11.680 -1.311 -3.440 1.00 0.00 C ATOM 658 C ALA A 120 -13.022 -1.947 -3.783 1.00 0.00 C ATOM 659 O ALA A 120 -13.995 -1.807 -3.043 1.00 0.00 O ATOM 660 CB ALA A 120 -11.082 -0.639 -4.667 1.00 0.00 C ATOM 0 H ALA A 120 -9.940 -2.477 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 120 -11.848 -0.554 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.782 0.101 -5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.148 -0.148 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -10.887 -1.389 -5.434 1.00 0.00 H new ATOM 666 N MET A 121 -13.063 -2.651 -4.910 1.00 0.00 N ATOM 667 CA MET A 121 -14.280 -3.316 -5.351 1.00 0.00 C ATOM 668 C MET A 121 -14.249 -4.793 -4.975 1.00 0.00 C ATOM 669 O MET A 121 -14.740 -5.644 -5.717 1.00 0.00 O ATOM 670 CB MET A 121 -14.450 -3.164 -6.863 1.00 0.00 C ATOM 671 CG MET A 121 -13.685 -4.203 -7.669 1.00 0.00 C ATOM 672 SD MET A 121 -14.774 -5.343 -8.542 1.00 0.00 S ATOM 673 CE MET A 121 -13.811 -5.668 -10.017 1.00 0.00 C ATOM 0 H MET A 121 -12.265 -2.775 -5.534 1.00 0.00 H new ATOM 0 HA MET A 121 -15.128 -2.847 -4.852 1.00 0.00 H new ATOM 0 HB2 MET A 121 -15.509 -3.233 -7.110 1.00 0.00 H new ATOM 0 HB3 MET A 121 -14.117 -2.169 -7.159 1.00 0.00 H new ATOM 0 HG2 MET A 121 -13.042 -3.697 -8.389 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.034 -4.768 -7.002 1.00 0.00 H new ATOM 0 HE1 MET A 121 -14.354 -6.360 -10.661 1.00 0.00 H new ATOM 0 HE2 MET A 121 -13.638 -4.734 -10.552 1.00 0.00 H new ATOM 0 HE3 MET A 121 -12.854 -6.108 -9.737 1.00 0.00 H new ATOM 683 N LYS A 122 -13.661 -5.090 -3.821 1.00 0.00 N ATOM 684 CA LYS A 122 -13.556 -6.464 -3.346 1.00 0.00 C ATOM 685 C LYS A 122 -12.768 -7.315 -4.335 1.00 0.00 C ATOM 686 O LYS A 122 -13.126 -8.460 -4.608 1.00 0.00 O ATOM 687 CB LYS A 122 -14.947 -7.064 -3.130 1.00 0.00 C ATOM 688 CG LYS A 122 -15.038 -7.974 -1.913 1.00 0.00 C ATOM 689 CD LYS A 122 -13.715 -8.670 -1.635 1.00 0.00 C ATOM 690 CE LYS A 122 -13.903 -9.901 -0.763 1.00 0.00 C ATOM 691 NZ LYS A 122 -13.536 -9.648 0.627 1.00 0.00 N ATOM 0 H LYS A 122 -13.249 -4.396 -3.197 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.026 -6.455 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -15.669 -6.255 -3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.231 -7.629 -4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.332 -7.389 -1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.816 -8.720 -2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.250 -8.959 -2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.034 -7.975 -1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.943 -10.223 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -13.298 -10.719 -1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -12.563 -9.975 0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -13.596 -8.628 0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -14.187 -10.160 1.257 1.00 0.00 H new ATOM 702 N MET A 123 -11.695 -6.743 -4.870 1.00 0.00 N ATOM 703 CA MET A 123 -10.854 -7.443 -5.833 1.00 0.00 C ATOM 704 C MET A 123 -9.443 -7.637 -5.285 1.00 0.00 C ATOM 705 O MET A 123 -8.515 -7.949 -6.031 1.00 0.00 O ATOM 706 CB MET A 123 -10.801 -6.666 -7.150 1.00 0.00 C ATOM 707 CG MET A 123 -9.739 -5.579 -7.175 1.00 0.00 C ATOM 708 SD MET A 123 -10.329 -4.049 -7.926 1.00 0.00 S ATOM 709 CE MET A 123 -9.567 -2.829 -6.857 1.00 0.00 C ATOM 0 H MET A 123 -11.387 -5.795 -4.653 1.00 0.00 H new ATOM 0 HA MET A 123 -11.290 -8.425 -6.014 1.00 0.00 H new ATOM 0 HB2 MET A 123 -10.614 -7.364 -7.966 1.00 0.00 H new ATOM 0 HB3 MET A 123 -11.776 -6.214 -7.335 1.00 0.00 H new ATOM 0 HG2 MET A 123 -9.409 -5.375 -6.156 1.00 0.00 H new ATOM 0 HG3 MET A 123 -8.870 -5.938 -7.726 1.00 0.00 H new ATOM 0 HE1 MET A 123 -10.074 -1.872 -6.978 1.00 0.00 H new ATOM 0 HE2 MET A 123 -9.648 -3.153 -5.819 1.00 0.00 H new ATOM 0 HE3 MET A 123 -8.515 -2.719 -7.122 1.00 0.00 H new ATOM 719 N MET A 124 -9.287 -7.449 -3.977 1.00 0.00 N ATOM 720 CA MET A 124 -7.991 -7.604 -3.333 1.00 0.00 C ATOM 721 C MET A 124 -6.877 -7.050 -4.216 1.00 0.00 C ATOM 722 O MET A 124 -5.838 -7.686 -4.391 1.00 0.00 O ATOM 723 CB MET A 124 -7.727 -9.077 -3.018 1.00 0.00 C ATOM 724 CG MET A 124 -8.878 -9.759 -2.297 1.00 0.00 C ATOM 725 SD MET A 124 -9.004 -9.267 -0.566 1.00 0.00 S ATOM 726 CE MET A 124 -10.359 -8.099 -0.643 1.00 0.00 C ATOM 0 H MET A 124 -10.044 -7.189 -3.344 1.00 0.00 H new ATOM 0 HA MET A 124 -8.005 -7.040 -2.401 1.00 0.00 H new ATOM 0 HB2 MET A 124 -7.525 -9.609 -3.948 1.00 0.00 H new ATOM 0 HB3 MET A 124 -6.829 -9.154 -2.406 1.00 0.00 H new ATOM 0 HG2 MET A 124 -9.812 -9.522 -2.807 1.00 0.00 H new ATOM 0 HG3 MET A 124 -8.748 -10.840 -2.355 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.974 -7.086 -0.524 1.00 0.00 H new ATOM 0 HE2 MET A 124 -10.860 -8.185 -1.607 1.00 0.00 H new ATOM 0 HE3 MET A 124 -11.070 -8.313 0.155 1.00 0.00 H new ATOM 736 N ASN A 125 -7.101 -5.862 -4.768 1.00 0.00 N ATOM 737 CA ASN A 125 -6.114 -5.224 -5.631 1.00 0.00 C ATOM 738 C ASN A 125 -4.809 -4.996 -4.876 1.00 0.00 C ATOM 739 O ASN A 125 -4.505 -3.878 -4.464 1.00 0.00 O ATOM 740 CB ASN A 125 -6.650 -3.894 -6.162 1.00 0.00 C ATOM 741 CG ASN A 125 -5.705 -3.246 -7.156 1.00 0.00 C ATOM 742 OD1 ASN A 125 -4.678 -3.820 -7.519 1.00 0.00 O ATOM 743 ND2 ASN A 125 -6.048 -2.043 -7.600 1.00 0.00 N ATOM 0 H ASN A 125 -7.956 -5.322 -4.633 1.00 0.00 H new ATOM 0 HA ASN A 125 -5.918 -5.887 -6.474 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -7.617 -4.059 -6.638 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -6.818 -3.213 -5.327 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -5.451 -1.557 -8.269 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -6.909 -1.605 -7.272 1.00 0.00 H new ATOM 750 N GLN A 126 -4.047 -6.068 -4.693 1.00 0.00 N ATOM 751 CA GLN A 126 -2.778 -5.990 -3.982 1.00 0.00 C ATOM 752 C GLN A 126 -1.656 -5.530 -4.905 1.00 0.00 C ATOM 753 O GLN A 126 -1.282 -6.230 -5.845 1.00 0.00 O ATOM 754 CB GLN A 126 -2.435 -7.347 -3.366 1.00 0.00 C ATOM 755 CG GLN A 126 -2.245 -8.451 -4.392 1.00 0.00 C ATOM 756 CD GLN A 126 -0.926 -9.179 -4.228 1.00 0.00 C ATOM 757 OE1 GLN A 126 0.096 -8.767 -4.778 1.00 0.00 O ATOM 758 NE2 GLN A 126 -0.941 -10.269 -3.470 1.00 0.00 N ATOM 0 H GLN A 126 -4.287 -7.001 -5.027 1.00 0.00 H new ATOM 0 HA GLN A 126 -2.881 -5.253 -3.185 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.523 -7.249 -2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.229 -7.635 -2.678 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -3.063 -9.166 -4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -2.298 -8.024 -5.394 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -1.811 -10.574 -3.033 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -0.083 -10.801 -3.324 1.00 0.00 H new ATOM 767 N ILE A 127 -1.121 -4.346 -4.625 1.00 0.00 N ATOM 768 CA ILE A 127 -0.040 -3.785 -5.424 1.00 0.00 C ATOM 769 C ILE A 127 1.288 -4.455 -5.092 1.00 0.00 C ATOM 770 O ILE A 127 1.515 -4.876 -3.958 1.00 0.00 O ATOM 771 CB ILE A 127 0.094 -2.268 -5.198 1.00 0.00 C ATOM 772 CG1 ILE A 127 -1.276 -1.594 -5.278 1.00 0.00 C ATOM 773 CG2 ILE A 127 1.051 -1.663 -6.214 1.00 0.00 C ATOM 774 CD1 ILE A 127 -1.830 -1.517 -6.685 1.00 0.00 C ATOM 0 H ILE A 127 -1.420 -3.756 -3.849 1.00 0.00 H new ATOM 0 HA ILE A 127 -0.288 -3.969 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 127 0.501 -2.099 -4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -1.978 -2.141 -4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -1.201 -0.586 -4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 127 1.135 -0.590 -6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 127 2.033 -2.125 -6.109 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.672 -1.840 -7.221 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -2.804 -1.027 -6.666 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.148 -0.945 -7.314 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -1.938 -2.524 -7.089 1.00 0.00 H new ATOM 786 N GLU A 128 2.163 -4.550 -6.088 1.00 0.00 N ATOM 787 CA GLU A 128 3.471 -5.167 -5.902 1.00 0.00 C ATOM 788 C GLU A 128 4.588 -4.152 -6.121 1.00 0.00 C ATOM 789 O GLU A 128 4.768 -3.644 -7.228 1.00 0.00 O ATOM 790 CB GLU A 128 3.643 -6.347 -6.861 1.00 0.00 C ATOM 791 CG GLU A 128 2.465 -7.306 -6.865 1.00 0.00 C ATOM 792 CD GLU A 128 2.641 -8.441 -7.855 1.00 0.00 C ATOM 793 OE1 GLU A 128 3.001 -8.164 -9.019 1.00 0.00 O ATOM 794 OE2 GLU A 128 2.422 -9.608 -7.466 1.00 0.00 O ATOM 0 H GLU A 128 1.989 -4.207 -7.033 1.00 0.00 H new ATOM 0 HA GLU A 128 3.531 -5.530 -4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.792 -5.965 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.546 -6.895 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.333 -7.718 -5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.555 -6.757 -7.106 1.00 0.00 H new ATOM 801 N ALA A 129 5.335 -3.862 -5.062 1.00 0.00 N ATOM 802 CA ALA A 129 6.434 -2.907 -5.140 1.00 0.00 C ATOM 803 C ALA A 129 7.145 -2.997 -6.486 1.00 0.00 C ATOM 804 O ALA A 129 7.991 -3.865 -6.695 1.00 0.00 O ATOM 805 CB ALA A 129 7.417 -3.143 -4.003 1.00 0.00 C ATOM 0 H ALA A 129 5.200 -4.275 -4.139 1.00 0.00 H new ATOM 0 HA ALA A 129 6.020 -1.903 -5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 129 8.233 -2.424 -4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.905 -3.020 -3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.818 -4.154 -4.073 1.00 0.00 H new ATOM 811 N ASP A 130 6.796 -2.093 -7.395 1.00 0.00 N ATOM 812 CA ASP A 130 7.400 -2.069 -8.723 1.00 0.00 C ATOM 813 C ASP A 130 8.439 -0.957 -8.827 1.00 0.00 C ATOM 814 O ASP A 130 8.575 -0.317 -9.868 1.00 0.00 O ATOM 815 CB ASP A 130 6.324 -1.879 -9.792 1.00 0.00 C ATOM 816 CG ASP A 130 5.747 -0.478 -9.790 1.00 0.00 C ATOM 817 OD1 ASP A 130 5.169 -0.076 -8.758 1.00 0.00 O ATOM 818 OD2 ASP A 130 5.873 0.218 -10.820 1.00 0.00 O ATOM 0 H ASP A 130 6.098 -1.367 -7.237 1.00 0.00 H new ATOM 0 HA ASP A 130 7.899 -3.024 -8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.749 -2.092 -10.773 1.00 0.00 H new ATOM 0 HB3 ASP A 130 5.522 -2.599 -9.628 1.00 0.00 H new ATOM 823 N LYS A 131 9.170 -0.734 -7.740 1.00 0.00 N ATOM 824 CA LYS A 131 10.198 0.300 -7.706 1.00 0.00 C ATOM 825 C LYS A 131 10.703 0.518 -6.284 1.00 0.00 C ATOM 826 O LYS A 131 10.564 1.606 -5.726 1.00 0.00 O ATOM 827 CB LYS A 131 9.647 1.612 -8.270 1.00 0.00 C ATOM 828 CG LYS A 131 10.320 2.050 -9.561 1.00 0.00 C ATOM 829 CD LYS A 131 9.577 3.207 -10.209 1.00 0.00 C ATOM 830 CE LYS A 131 10.350 3.776 -11.388 1.00 0.00 C ATOM 831 NZ LYS A 131 10.251 2.905 -12.591 1.00 0.00 N ATOM 0 H LYS A 131 9.069 -1.256 -6.870 1.00 0.00 H new ATOM 0 HA LYS A 131 11.034 -0.032 -8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.577 1.501 -8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.766 2.397 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 131 11.349 2.346 -9.355 1.00 0.00 H new ATOM 0 HG3 LYS A 131 10.363 1.210 -10.254 1.00 0.00 H new ATOM 0 HD2 LYS A 131 8.597 2.869 -10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.408 3.991 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 131 9.969 4.769 -11.627 1.00 0.00 H new ATOM 0 HE3 LYS A 131 11.398 3.895 -11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 10.792 3.329 -13.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 10.638 1.965 -12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 9.254 2.812 -12.871 1.00 0.00 H new ATOM 845 N SER A 132 11.289 -0.523 -5.703 1.00 0.00 N ATOM 846 CA SER A 132 11.814 -0.444 -4.345 1.00 0.00 C ATOM 847 C SER A 132 10.681 -0.458 -3.324 1.00 0.00 C ATOM 848 O SER A 132 9.713 0.293 -3.447 1.00 0.00 O ATOM 849 CB SER A 132 12.657 0.820 -4.174 1.00 0.00 C ATOM 850 OG SER A 132 13.351 0.809 -2.938 1.00 0.00 O ATOM 0 H SER A 132 11.412 -1.431 -6.151 1.00 0.00 H new ATOM 0 HA SER A 132 12.444 -1.317 -4.173 1.00 0.00 H new ATOM 0 HB2 SER A 132 13.371 0.898 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 132 12.014 1.699 -4.226 1.00 0.00 H new ATOM 0 HG SER A 132 13.883 1.627 -2.855 1.00 0.00 H new ATOM 856 N GLY A 133 10.808 -1.317 -2.317 1.00 0.00 N ATOM 857 CA GLY A 133 9.786 -1.412 -1.292 1.00 0.00 C ATOM 858 C GLY A 133 10.203 -0.755 0.009 1.00 0.00 C ATOM 859 O GLY A 133 9.738 -1.138 1.082 1.00 0.00 O ATOM 0 H GLY A 133 11.600 -1.948 -2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 133 8.870 -0.945 -1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 133 9.558 -2.462 -1.108 1.00 0.00 H new ATOM 863 N THR A 134 11.083 0.236 -0.086 1.00 0.00 N ATOM 864 CA THR A 134 11.562 0.948 1.093 1.00 0.00 C ATOM 865 C THR A 134 10.491 1.891 1.631 1.00 0.00 C ATOM 866 O THR A 134 10.677 3.108 1.656 1.00 0.00 O ATOM 867 CB THR A 134 12.831 1.734 0.759 1.00 0.00 C ATOM 868 OG1 THR A 134 13.740 0.931 0.027 1.00 0.00 O ATOM 869 CG2 THR A 134 13.556 2.249 1.983 1.00 0.00 C ATOM 0 H THR A 134 11.479 0.564 -0.967 1.00 0.00 H new ATOM 0 HA THR A 134 11.792 0.212 1.863 1.00 0.00 H new ATOM 0 HB THR A 134 12.495 2.588 0.170 1.00 0.00 H new ATOM 0 HG1 THR A 134 13.524 0.980 -0.928 1.00 0.00 H new ATOM 0 HG21 THR A 134 14.446 2.797 1.675 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.897 2.912 2.544 1.00 0.00 H new ATOM 0 HG23 THR A 134 13.847 1.409 2.614 1.00 0.00 H new ATOM 877 N VAL A 135 9.370 1.321 2.061 1.00 0.00 N ATOM 878 CA VAL A 135 8.269 2.110 2.599 1.00 0.00 C ATOM 879 C VAL A 135 8.757 3.075 3.674 1.00 0.00 C ATOM 880 O VAL A 135 9.150 2.660 4.764 1.00 0.00 O ATOM 881 CB VAL A 135 7.170 1.211 3.195 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.101 2.050 3.877 1.00 0.00 C ATOM 883 CG2 VAL A 135 6.561 0.328 2.117 1.00 0.00 C ATOM 0 H VAL A 135 9.201 0.315 2.047 1.00 0.00 H new ATOM 0 HA VAL A 135 7.852 2.677 1.766 1.00 0.00 H new ATOM 0 HB VAL A 135 7.623 0.566 3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.334 1.396 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 135 6.553 2.633 4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 135 5.649 2.724 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 135 5.786 -0.301 2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 135 6.123 0.953 1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.336 -0.303 1.682 1.00 0.00 H new ATOM 893 N LYS A 136 8.726 4.366 3.361 1.00 0.00 N ATOM 894 CA LYS A 136 9.165 5.391 4.301 1.00 0.00 C ATOM 895 C LYS A 136 8.147 5.569 5.423 1.00 0.00 C ATOM 896 O LYS A 136 8.502 5.931 6.545 1.00 0.00 O ATOM 897 CB LYS A 136 9.379 6.720 3.576 1.00 0.00 C ATOM 898 CG LYS A 136 10.702 7.390 3.910 1.00 0.00 C ATOM 899 CD LYS A 136 10.811 7.698 5.396 1.00 0.00 C ATOM 900 CE LYS A 136 12.227 8.096 5.778 1.00 0.00 C ATOM 901 NZ LYS A 136 12.244 9.111 6.868 1.00 0.00 N ATOM 0 H LYS A 136 8.402 4.727 2.464 1.00 0.00 H new ATOM 0 HA LYS A 136 10.110 5.068 4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.329 6.550 2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.564 7.398 3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 136 11.525 6.742 3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.798 8.313 3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 136 10.123 8.503 5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 136 10.509 6.824 5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 136 12.779 7.212 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 136 12.741 8.494 4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 13.228 9.356 7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 11.739 9.965 6.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 11.777 8.722 7.712 1.00 0.00 H new ATOM 915 N ALA A 137 6.880 5.313 5.113 1.00 0.00 N ATOM 916 CA ALA A 137 5.812 5.445 6.097 1.00 0.00 C ATOM 917 C ALA A 137 4.439 5.366 5.435 1.00 0.00 C ATOM 918 O ALA A 137 4.307 5.572 4.229 1.00 0.00 O ATOM 919 CB ALA A 137 5.958 6.754 6.858 1.00 0.00 C ATOM 0 H ALA A 137 6.568 5.013 4.189 1.00 0.00 H new ATOM 0 HA ALA A 137 5.894 4.616 6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 137 5.155 6.841 7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.920 6.771 7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.904 7.589 6.159 1.00 0.00 H new ATOM 925 N ILE A 138 3.420 5.069 6.234 1.00 0.00 N ATOM 926 CA ILE A 138 2.056 4.965 5.727 1.00 0.00 C ATOM 927 C ILE A 138 1.148 5.995 6.393 1.00 0.00 C ATOM 928 O ILE A 138 1.170 6.160 7.612 1.00 0.00 O ATOM 929 CB ILE A 138 1.478 3.550 5.956 1.00 0.00 C ATOM 930 CG1 ILE A 138 2.101 2.557 4.971 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.039 3.557 5.822 1.00 0.00 C ATOM 932 CD1 ILE A 138 1.257 1.322 4.739 1.00 0.00 C ATOM 0 H ILE A 138 3.512 4.896 7.235 1.00 0.00 H new ATOM 0 HA ILE A 138 2.095 5.160 4.655 1.00 0.00 H new ATOM 0 HB ILE A 138 1.726 3.237 6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.265 3.059 4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 138 3.079 2.253 5.344 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.423 2.551 5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -0.466 4.235 6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.314 3.891 4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.761 0.665 4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.114 0.797 5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.287 1.614 4.336 1.00 0.00 H new ATOM 944 N LEU A 139 0.347 6.680 5.584 1.00 0.00 N ATOM 945 CA LEU A 139 -0.574 7.687 6.095 1.00 0.00 C ATOM 946 C LEU A 139 -1.995 7.145 6.129 1.00 0.00 C ATOM 947 O LEU A 139 -2.689 7.247 7.141 1.00 0.00 O ATOM 948 CB LEU A 139 -0.526 8.946 5.230 1.00 0.00 C ATOM 949 CG LEU A 139 0.731 9.800 5.397 1.00 0.00 C ATOM 950 CD1 LEU A 139 1.944 9.084 4.824 1.00 0.00 C ATOM 951 CD2 LEU A 139 0.546 11.156 4.730 1.00 0.00 C ATOM 0 H LEU A 139 0.317 6.556 4.572 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.267 7.941 7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -0.611 8.653 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.397 9.560 5.460 1.00 0.00 H new ATOM 0 HG LEU A 139 0.899 9.960 6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.829 9.708 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.088 8.138 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.786 8.893 3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 139 1.450 11.751 4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.352 11.015 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.297 11.674 5.187 1.00 0.00 H new ATOM 963 N VAL A 140 -2.421 6.567 5.012 1.00 0.00 N ATOM 964 CA VAL A 140 -3.759 6.007 4.908 1.00 0.00 C ATOM 965 C VAL A 140 -4.140 5.264 6.182 1.00 0.00 C ATOM 966 O VAL A 140 -3.410 4.386 6.644 1.00 0.00 O ATOM 967 CB VAL A 140 -3.877 5.050 3.706 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.165 4.245 3.781 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.801 5.827 2.400 1.00 0.00 C ATOM 0 H VAL A 140 -1.858 6.475 4.167 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.444 6.842 4.760 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.041 4.351 3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.227 3.576 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.174 3.658 4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.019 4.923 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -3.886 5.137 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.616 6.550 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.847 6.351 2.344 1.00 0.00 H new ATOM 979 N GLU A 141 -5.288 5.622 6.741 1.00 0.00 N ATOM 980 CA GLU A 141 -5.783 4.995 7.958 1.00 0.00 C ATOM 981 C GLU A 141 -6.110 3.532 7.700 1.00 0.00 C ATOM 982 O GLU A 141 -7.257 3.104 7.830 1.00 0.00 O ATOM 983 CB GLU A 141 -7.026 5.727 8.470 1.00 0.00 C ATOM 984 CG GLU A 141 -6.746 7.145 8.939 1.00 0.00 C ATOM 985 CD GLU A 141 -5.786 7.194 10.112 1.00 0.00 C ATOM 986 OE1 GLU A 141 -6.106 6.604 11.165 1.00 0.00 O ATOM 987 OE2 GLU A 141 -4.715 7.821 9.976 1.00 0.00 O ATOM 0 H GLU A 141 -5.898 6.349 6.367 1.00 0.00 H new ATOM 0 HA GLU A 141 -5.004 5.055 8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -7.773 5.756 7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -7.458 5.159 9.294 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -6.332 7.722 8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.684 7.622 9.222 1.00 0.00 H new ATOM 994 N SER A 142 -5.088 2.776 7.326 1.00 0.00 N ATOM 995 CA SER A 142 -5.239 1.360 7.037 1.00 0.00 C ATOM 996 C SER A 142 -6.269 0.719 7.965 1.00 0.00 C ATOM 997 O SER A 142 -6.566 1.248 9.036 1.00 0.00 O ATOM 998 CB SER A 142 -3.889 0.669 7.177 1.00 0.00 C ATOM 999 OG SER A 142 -3.933 -0.351 8.160 1.00 0.00 O ATOM 0 H SER A 142 -4.136 3.126 7.215 1.00 0.00 H new ATOM 0 HA SER A 142 -5.599 1.245 6.014 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.596 0.241 6.218 1.00 0.00 H new ATOM 0 HB3 SER A 142 -3.128 1.403 7.445 1.00 0.00 H new ATOM 0 HG SER A 142 -4.342 -1.156 7.778 1.00 0.00 H new ATOM 1005 N GLY A 143 -6.821 -0.417 7.545 1.00 0.00 N ATOM 1006 CA GLY A 143 -7.818 -1.092 8.351 1.00 0.00 C ATOM 1007 C GLY A 143 -9.180 -0.434 8.234 1.00 0.00 C ATOM 1008 O GLY A 143 -10.162 -0.915 8.798 1.00 0.00 O ATOM 0 H GLY A 143 -6.595 -0.879 6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -7.891 -2.134 8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -7.503 -1.091 9.394 1.00 0.00 H new ATOM 1012 N GLN A 144 -9.232 0.671 7.496 1.00 0.00 N ATOM 1013 CA GLN A 144 -10.476 1.407 7.299 1.00 0.00 C ATOM 1014 C GLN A 144 -10.668 1.751 5.825 1.00 0.00 C ATOM 1015 O GLN A 144 -9.808 1.465 4.992 1.00 0.00 O ATOM 1016 CB GLN A 144 -10.470 2.688 8.133 1.00 0.00 C ATOM 1017 CG GLN A 144 -11.411 2.644 9.325 1.00 0.00 C ATOM 1018 CD GLN A 144 -11.710 4.023 9.882 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -12.757 4.246 10.489 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -10.789 4.960 9.675 1.00 0.00 N ATOM 0 H GLN A 144 -8.424 1.077 7.023 1.00 0.00 H new ATOM 0 HA GLN A 144 -11.303 0.775 7.622 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -9.457 2.875 8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -10.745 3.528 7.495 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -12.344 2.165 9.029 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -10.971 2.027 10.108 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -9.935 4.732 9.166 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -10.937 5.907 10.025 1.00 0.00 H new ATOM 1029 N PRO A 145 -11.806 2.374 5.487 1.00 0.00 N ATOM 1030 CA PRO A 145 -12.119 2.763 4.109 1.00 0.00 C ATOM 1031 C PRO A 145 -11.200 3.870 3.600 1.00 0.00 C ATOM 1032 O PRO A 145 -10.961 4.859 4.293 1.00 0.00 O ATOM 1033 CB PRO A 145 -13.569 3.270 4.188 1.00 0.00 C ATOM 1034 CG PRO A 145 -14.077 2.826 5.522 1.00 0.00 C ATOM 1035 CD PRO A 145 -12.876 2.746 6.417 1.00 0.00 C ATOM 0 HA PRO A 145 -11.985 1.932 3.416 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -13.611 4.355 4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -14.174 2.857 3.381 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -14.810 3.531 5.915 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -14.573 1.858 5.448 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -12.673 3.698 6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -13.006 2.003 7.203 1.00 0.00 H new ATOM 1043 N VAL A 146 -10.690 3.698 2.385 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.800 4.684 1.784 1.00 0.00 C ATOM 1045 C VAL A 146 -10.575 5.647 0.890 1.00 0.00 C ATOM 1046 O VAL A 146 -11.787 5.513 0.723 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.691 4.013 0.952 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.933 2.997 1.793 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -9.276 3.356 -0.290 1.00 0.00 C ATOM 0 H VAL A 146 -10.878 2.885 1.798 1.00 0.00 H new ATOM 0 HA VAL A 146 -9.342 5.236 2.605 1.00 0.00 H new ATOM 0 HB VAL A 146 -7.989 4.782 0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -7.154 2.533 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -7.479 3.498 2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -8.622 2.230 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -8.477 2.888 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -10.002 2.599 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -9.769 4.111 -0.903 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.869 6.617 0.318 1.00 0.00 N ATOM 1060 CA GLU A 147 -10.494 7.600 -0.560 1.00 0.00 C ATOM 1061 C GLU A 147 -9.583 7.942 -1.734 1.00 0.00 C ATOM 1062 O GLU A 147 -8.388 7.644 -1.713 1.00 0.00 O ATOM 1063 CB GLU A 147 -10.832 8.871 0.222 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.871 9.745 -0.462 1.00 0.00 C ATOM 1065 CD GLU A 147 -12.738 10.500 0.526 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -12.876 10.032 1.676 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -13.281 11.561 0.150 1.00 0.00 O ATOM 0 H GLU A 147 -8.865 6.743 0.446 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.413 7.165 -0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -11.196 8.594 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -9.921 9.451 0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -11.368 10.457 -1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -12.504 9.123 -1.095 1.00 0.00 H new ATOM 1074 N PHE A 148 -10.156 8.569 -2.756 1.00 0.00 N ATOM 1075 CA PHE A 148 -9.397 8.955 -3.940 1.00 0.00 C ATOM 1076 C PHE A 148 -8.206 9.830 -3.562 1.00 0.00 C ATOM 1077 O PHE A 148 -8.371 10.907 -2.990 1.00 0.00 O ATOM 1078 CB PHE A 148 -10.300 9.692 -4.928 1.00 0.00 C ATOM 1079 CG PHE A 148 -9.555 10.565 -5.899 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -8.321 10.170 -6.403 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -10.088 11.782 -6.308 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -7.632 10.973 -7.299 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -9.403 12.589 -7.204 1.00 0.00 C ATOM 1084 CZ PHE A 148 -8.174 12.184 -7.700 1.00 0.00 C ATOM 0 H PHE A 148 -11.144 8.821 -2.788 1.00 0.00 H new ATOM 0 HA PHE A 148 -9.018 8.049 -4.413 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -10.884 8.961 -5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -11.007 10.306 -4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -7.894 9.227 -6.093 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -11.045 12.102 -5.924 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -6.674 10.655 -7.684 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -9.827 13.532 -7.515 1.00 0.00 H new ATOM 0 HZ PHE A 148 -7.639 12.811 -8.398 1.00 0.00 H new ATOM 1094 N ASP A 149 -7.005 9.360 -3.885 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.786 10.100 -3.579 1.00 0.00 C ATOM 1096 C ASP A 149 -5.436 9.982 -2.099 1.00 0.00 C ATOM 1097 O ASP A 149 -5.485 10.964 -1.359 1.00 0.00 O ATOM 1098 CB ASP A 149 -5.950 11.571 -3.961 1.00 0.00 C ATOM 1099 CG ASP A 149 -4.674 12.169 -4.523 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -3.626 12.068 -3.852 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -4.725 12.736 -5.634 1.00 0.00 O ATOM 0 H ASP A 149 -6.850 8.470 -4.359 1.00 0.00 H new ATOM 0 HA ASP A 149 -4.972 9.669 -4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -6.747 11.665 -4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -6.258 12.139 -3.083 1.00 0.00 H new ATOM 1106 N GLU A 150 -5.084 8.773 -1.675 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.726 8.525 -0.282 1.00 0.00 C ATOM 1108 C GLU A 150 -3.409 7.763 -0.185 1.00 0.00 C ATOM 1109 O GLU A 150 -3.342 6.574 -0.499 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.835 7.740 0.419 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.182 8.277 1.798 1.00 0.00 C ATOM 1112 CD GLU A 150 -7.240 9.361 1.752 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -7.114 10.280 0.916 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -8.196 9.292 2.553 1.00 0.00 O ATOM 0 H GLU A 150 -5.039 7.949 -2.275 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.604 9.489 0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.729 7.756 -0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.529 6.698 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -6.534 7.458 2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -5.281 8.673 2.267 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.340 8.443 0.255 1.00 0.00 N ATOM 1122 CA PRO A 151 -1.013 7.835 0.396 1.00 0.00 C ATOM 1123 C PRO A 151 -1.050 6.541 1.204 1.00 0.00 C ATOM 1124 O PRO A 151 -0.860 6.552 2.420 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.209 8.905 1.137 1.00 0.00 C ATOM 1126 CG PRO A 151 -0.882 10.188 0.796 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.344 9.863 0.648 1.00 0.00 C ATOM 0 HA PRO A 151 -0.589 7.555 -0.568 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -0.213 8.729 2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.834 8.908 0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -0.725 10.931 1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.480 10.606 -0.127 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -2.887 10.020 1.580 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.820 10.488 -0.108 1.00 0.00 H new ATOM 1135 N LEU A 152 -1.295 5.428 0.520 1.00 0.00 N ATOM 1136 CA LEU A 152 -1.355 4.125 1.173 1.00 0.00 C ATOM 1137 C LEU A 152 0.021 3.709 1.681 1.00 0.00 C ATOM 1138 O LEU A 152 0.192 3.396 2.859 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.896 3.070 0.207 1.00 0.00 C ATOM 1140 CG LEU A 152 -3.247 3.405 -0.428 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -3.376 2.742 -1.790 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -4.384 2.978 0.486 1.00 0.00 C ATOM 0 H LEU A 152 -1.455 5.402 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 152 -2.029 4.204 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -1.166 2.919 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.987 2.124 0.740 1.00 0.00 H new ATOM 0 HG LEU A 152 -3.305 4.485 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -4.343 2.992 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -2.580 3.097 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -3.297 1.661 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -5.338 3.224 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -4.330 1.903 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -4.301 3.501 1.439 1.00 0.00 H new ATOM 1154 N VAL A 153 1.001 3.707 0.783 1.00 0.00 N ATOM 1155 CA VAL A 153 2.363 3.330 1.140 1.00 0.00 C ATOM 1156 C VAL A 153 3.380 4.194 0.402 1.00 0.00 C ATOM 1157 O VAL A 153 3.517 4.104 -0.818 1.00 0.00 O ATOM 1158 CB VAL A 153 2.637 1.849 0.820 1.00 0.00 C ATOM 1159 CG1 VAL A 153 3.967 1.411 1.413 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.503 0.975 1.336 1.00 0.00 C ATOM 0 H VAL A 153 0.877 3.962 -0.197 1.00 0.00 H new ATOM 0 HA VAL A 153 2.466 3.487 2.214 1.00 0.00 H new ATOM 0 HB VAL A 153 2.693 1.734 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.143 0.362 1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 153 4.770 2.017 0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 153 3.943 1.540 2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 153 1.712 -0.069 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.415 1.094 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 153 0.569 1.273 0.861 1.00 0.00 H new ATOM 1170 N VAL A 154 4.091 5.032 1.150 1.00 0.00 N ATOM 1171 CA VAL A 154 5.094 5.914 0.565 1.00 0.00 C ATOM 1172 C VAL A 154 6.485 5.288 0.634 1.00 0.00 C ATOM 1173 O VAL A 154 7.016 5.047 1.718 1.00 0.00 O ATOM 1174 CB VAL A 154 5.114 7.288 1.267 1.00 0.00 C ATOM 1175 CG1 VAL A 154 3.696 7.757 1.556 1.00 0.00 C ATOM 1176 CG2 VAL A 154 5.933 7.232 2.550 1.00 0.00 C ATOM 0 H VAL A 154 3.991 5.119 2.161 1.00 0.00 H new ATOM 0 HA VAL A 154 4.820 6.058 -0.480 1.00 0.00 H new ATOM 0 HB VAL A 154 5.587 8.006 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 154 3.728 8.727 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.144 7.845 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.199 7.035 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 154 5.931 8.213 3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.497 6.499 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 154 6.958 6.944 2.315 1.00 0.00 H new ATOM 1186 N ILE A 155 7.067 5.027 -0.531 1.00 0.00 N ATOM 1187 CA ILE A 155 8.395 4.429 -0.604 1.00 0.00 C ATOM 1188 C ILE A 155 9.482 5.495 -0.534 1.00 0.00 C ATOM 1189 O ILE A 155 9.312 6.605 -1.037 1.00 0.00 O ATOM 1190 CB ILE A 155 8.573 3.616 -1.900 1.00 0.00 C ATOM 1191 CG1 ILE A 155 7.292 2.844 -2.223 1.00 0.00 C ATOM 1192 CG2 ILE A 155 9.755 2.667 -1.773 1.00 0.00 C ATOM 1193 CD1 ILE A 155 6.769 3.097 -3.619 1.00 0.00 C ATOM 0 H ILE A 155 6.641 5.220 -1.437 1.00 0.00 H new ATOM 0 HA ILE A 155 8.489 3.761 0.252 1.00 0.00 H new ATOM 0 HB ILE A 155 8.775 4.306 -2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 155 7.480 1.777 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 155 6.522 3.115 -1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 155 9.867 2.100 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 155 10.663 3.240 -1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 155 9.583 1.980 -0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 155 5.860 2.517 -3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 155 6.548 4.158 -3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 155 7.521 2.799 -4.349 1.00 0.00 H new ATOM 1205 N GLU A 156 10.602 5.148 0.093 1.00 0.00 N ATOM 1206 CA GLU A 156 11.720 6.075 0.229 1.00 0.00 C ATOM 1207 C GLU A 156 12.415 6.289 -1.112 1.00 0.00 C ATOM 1208 O GLU A 156 13.353 5.525 -1.419 1.00 0.00 O ATOM 1209 CB GLU A 156 12.722 5.549 1.258 1.00 0.00 C ATOM 1210 CG GLU A 156 13.941 6.440 1.431 1.00 0.00 C ATOM 1211 CD GLU A 156 14.359 6.582 2.880 1.00 0.00 C ATOM 1212 OE1 GLU A 156 14.269 5.582 3.624 1.00 0.00 O ATOM 1213 OE2 GLU A 156 14.777 7.691 3.273 1.00 0.00 O ATOM 1214 OXT GLU A 156 12.012 7.217 -1.844 1.00 0.00 O ATOM 0 H GLU A 156 10.759 4.233 0.514 1.00 0.00 H new ATOM 0 HA GLU A 156 11.327 7.033 0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 156 12.220 5.443 2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 156 13.050 4.554 0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.771 6.029 0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 156 13.726 7.427 1.020 1.00 0.00 H new