USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=16 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 Single : A 81 HIS : no HD1:sc= -8! C(o=-8!,f=-10!) USER MOD Single : A 85 SER OG : rot -60:sc= -0.848 USER MOD Single : A 87 MET CE :methyl 166:sc= -0.13 (180deg=-0.563) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0144 USER MOD Single : A 94 THR OG1 : rot 52:sc= 0.235 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.954 K(o=-0.95,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.338 K(o=-0.34,f=0.46) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 116 CYS SG : rot -108:sc= -2.25! USER MOD Single : A 121 MET CE :methyl -164:sc= -0.792 (180deg=-1.61!) USER MOD Single : A 122 LYS NZ :NH3+ 170:sc= 0.245 (180deg=0.202) USER MOD Single : A 123 MET CE :methyl -153:sc= -5.56! (180deg=-8.13!) USER MOD Single : A 124 MET CE :methyl -135:sc= -4.49! (180deg=-7.97!) USER MOD Single : A 125 ASN : amide:sc= -0.611 K(o=-0.61,f=-3.2!) USER MOD Single : A 126 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.24) USER MOD Single : A 131 LYS NZ :NH3+ -155:sc= -0.0353 (180deg=-0.28) USER MOD Single : A 132 SER OG : rot 180:sc= -2.53 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 159:sc= 0.298 (180deg=-0.0606) USER MOD Single : A 142 SER OG : rot 150:sc= 0 USER MOD Single : A 144 GLN : amide:sc= -0.938! X(o=-0.94!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 80 11.690 10.142 -2.933 1.00 0.00 N ATOM 47 CA GLY A 80 11.473 8.707 -2.928 1.00 0.00 C ATOM 48 C GLY A 80 10.314 8.294 -3.814 1.00 0.00 C ATOM 49 O GLY A 80 10.344 8.508 -5.026 1.00 0.00 O ATOM 0 HA2 GLY A 80 12.380 8.204 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.283 8.375 -1.907 1.00 0.00 H new ATOM 53 N HIS A 81 9.291 7.700 -3.208 1.00 0.00 N ATOM 54 CA HIS A 81 8.118 7.254 -3.950 1.00 0.00 C ATOM 55 C HIS A 81 6.858 7.382 -3.101 1.00 0.00 C ATOM 56 O HIS A 81 6.840 6.986 -1.935 1.00 0.00 O ATOM 57 CB HIS A 81 8.294 5.804 -4.404 1.00 0.00 C ATOM 58 CG HIS A 81 9.704 5.460 -4.774 1.00 0.00 C ATOM 59 ND1 HIS A 81 10.774 5.659 -3.927 1.00 0.00 N ATOM 60 CD2 HIS A 81 10.218 4.928 -5.908 1.00 0.00 C ATOM 61 CE1 HIS A 81 11.884 5.263 -4.524 1.00 0.00 C ATOM 62 NE2 HIS A 81 11.575 4.816 -5.726 1.00 0.00 N ATOM 0 H HIS A 81 9.251 7.517 -2.205 1.00 0.00 H new ATOM 0 HA HIS A 81 8.012 7.891 -4.828 1.00 0.00 H new ATOM 0 HB2 HIS A 81 7.964 5.139 -3.606 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.647 5.619 -5.261 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.664 4.645 -6.791 1.00 0.00 H new ATOM 0 HE1 HIS A 81 12.877 5.299 -4.100 1.00 0.00 H new ATOM 0 HE2 HIS A 81 12.236 4.447 -6.409 1.00 0.00 H new ATOM 71 N ILE A 82 5.804 7.935 -3.693 1.00 0.00 N ATOM 72 CA ILE A 82 4.539 8.114 -2.992 1.00 0.00 C ATOM 73 C ILE A 82 3.390 7.479 -3.768 1.00 0.00 C ATOM 74 O ILE A 82 2.800 8.108 -4.648 1.00 0.00 O ATOM 75 CB ILE A 82 4.228 9.605 -2.761 1.00 0.00 C ATOM 76 CG1 ILE A 82 5.302 10.244 -1.881 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.852 9.770 -2.131 1.00 0.00 C ATOM 78 CD1 ILE A 82 6.689 10.190 -2.483 1.00 0.00 C ATOM 0 H ILE A 82 5.802 8.267 -4.657 1.00 0.00 H new ATOM 0 HA ILE A 82 4.639 7.621 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 82 4.227 10.112 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.036 11.285 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.315 9.741 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.648 10.829 -1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.096 9.349 -2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.826 9.250 -1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.399 10.662 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.976 9.151 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.693 10.719 -3.436 1.00 0.00 H new ATOM 90 N VAL A 83 3.077 6.230 -3.438 1.00 0.00 N ATOM 91 CA VAL A 83 1.999 5.511 -4.107 1.00 0.00 C ATOM 92 C VAL A 83 0.666 5.740 -3.404 1.00 0.00 C ATOM 93 O VAL A 83 0.528 5.475 -2.209 1.00 0.00 O ATOM 94 CB VAL A 83 2.283 3.998 -4.162 1.00 0.00 C ATOM 95 CG1 VAL A 83 1.568 3.363 -5.345 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.780 3.738 -4.232 1.00 0.00 C ATOM 0 H VAL A 83 3.554 5.695 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 83 1.943 5.901 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 83 1.901 3.542 -3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.780 2.294 -5.368 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.494 3.517 -5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.917 3.822 -6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.961 2.664 -4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.189 4.207 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.264 4.156 -3.349 1.00 0.00 H new ATOM 106 N ARG A 84 -0.315 6.234 -4.153 1.00 0.00 N ATOM 107 CA ARG A 84 -1.639 6.498 -3.602 1.00 0.00 C ATOM 108 C ARG A 84 -2.631 5.420 -4.027 1.00 0.00 C ATOM 109 O ARG A 84 -2.323 4.580 -4.872 1.00 0.00 O ATOM 110 CB ARG A 84 -2.136 7.872 -4.055 1.00 0.00 C ATOM 111 CG ARG A 84 -1.794 8.199 -5.499 1.00 0.00 C ATOM 112 CD ARG A 84 -0.385 8.753 -5.624 1.00 0.00 C ATOM 113 NE ARG A 84 -0.382 10.197 -5.848 1.00 0.00 N ATOM 114 CZ ARG A 84 -0.926 10.777 -6.913 1.00 0.00 C ATOM 115 NH1 ARG A 84 -1.511 10.040 -7.846 1.00 0.00 N ATOM 116 NH2 ARG A 84 -0.886 12.096 -7.044 1.00 0.00 N ATOM 0 H ARG A 84 -0.218 6.459 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.562 6.486 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.218 7.918 -3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.706 8.636 -3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.889 7.301 -6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.508 8.925 -5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.176 8.526 -4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.128 8.257 -6.448 1.00 0.00 H new ATOM 0 HE ARG A 84 0.062 10.792 -5.149 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.545 9.025 -7.748 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.928 10.487 -8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.437 12.666 -6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.304 12.540 -7.862 1.00 0.00 H new ATOM 130 N SER A 85 -3.820 5.450 -3.435 1.00 0.00 N ATOM 131 CA SER A 85 -4.856 4.475 -3.753 1.00 0.00 C ATOM 132 C SER A 85 -5.969 5.111 -4.580 1.00 0.00 C ATOM 133 O SER A 85 -6.639 6.039 -4.127 1.00 0.00 O ATOM 134 CB SER A 85 -5.437 3.881 -2.468 1.00 0.00 C ATOM 135 OG SER A 85 -5.833 2.535 -2.661 1.00 0.00 O ATOM 0 H SER A 85 -4.090 6.139 -2.733 1.00 0.00 H new ATOM 0 HA SER A 85 -4.401 3.679 -4.342 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.695 3.934 -1.671 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.294 4.473 -2.145 1.00 0.00 H new ATOM 0 HG SER A 85 -6.518 2.493 -3.361 1.00 0.00 H new ATOM 141 N PRO A 86 -6.180 4.616 -5.809 1.00 0.00 N ATOM 142 CA PRO A 86 -7.217 5.135 -6.705 1.00 0.00 C ATOM 143 C PRO A 86 -8.622 4.764 -6.242 1.00 0.00 C ATOM 144 O PRO A 86 -8.891 3.610 -5.909 1.00 0.00 O ATOM 145 CB PRO A 86 -6.899 4.464 -8.041 1.00 0.00 C ATOM 146 CG PRO A 86 -6.195 3.204 -7.674 1.00 0.00 C ATOM 147 CD PRO A 86 -5.421 3.509 -6.419 1.00 0.00 C ATOM 0 HA PRO A 86 -7.211 6.224 -6.748 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.808 4.259 -8.607 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.271 5.101 -8.664 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.906 2.395 -7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.529 2.882 -8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.371 2.644 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.394 3.800 -6.641 1.00 0.00 H new ATOM 155 N MET A 87 -9.512 5.749 -6.221 1.00 0.00 N ATOM 156 CA MET A 87 -10.891 5.526 -5.799 1.00 0.00 C ATOM 157 C MET A 87 -10.951 5.137 -4.325 1.00 0.00 C ATOM 158 O MET A 87 -9.943 4.752 -3.732 1.00 0.00 O ATOM 159 CB MET A 87 -11.538 4.434 -6.653 1.00 0.00 C ATOM 160 CG MET A 87 -12.907 4.002 -6.155 1.00 0.00 C ATOM 161 SD MET A 87 -13.766 2.932 -7.323 1.00 0.00 S ATOM 162 CE MET A 87 -12.544 1.645 -7.566 1.00 0.00 C ATOM 0 H MET A 87 -9.304 6.710 -6.491 1.00 0.00 H new ATOM 0 HA MET A 87 -11.442 6.457 -5.934 1.00 0.00 H new ATOM 0 HB2 MET A 87 -11.630 4.793 -7.678 1.00 0.00 H new ATOM 0 HB3 MET A 87 -10.879 3.566 -6.678 1.00 0.00 H new ATOM 0 HG2 MET A 87 -12.795 3.480 -5.205 1.00 0.00 H new ATOM 0 HG3 MET A 87 -13.515 4.886 -5.963 1.00 0.00 H new ATOM 0 HE1 MET A 87 -13.008 0.791 -8.058 1.00 0.00 H new ATOM 0 HE2 MET A 87 -11.734 2.025 -8.188 1.00 0.00 H new ATOM 0 HE3 MET A 87 -12.145 1.335 -6.600 1.00 0.00 H new ATOM 172 N VAL A 88 -12.140 5.239 -3.740 1.00 0.00 N ATOM 173 CA VAL A 88 -12.334 4.899 -2.336 1.00 0.00 C ATOM 174 C VAL A 88 -12.354 3.388 -2.136 1.00 0.00 C ATOM 175 O VAL A 88 -12.843 2.646 -2.986 1.00 0.00 O ATOM 176 CB VAL A 88 -13.644 5.494 -1.788 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.767 5.236 -0.295 1.00 0.00 C ATOM 178 CG2 VAL A 88 -13.719 6.984 -2.088 1.00 0.00 C ATOM 0 H VAL A 88 -12.984 5.555 -4.217 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.494 5.326 -1.789 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.480 5.003 -2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.699 5.664 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.763 4.162 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -12.927 5.697 0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.651 7.388 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.876 7.492 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.683 7.140 -3.166 1.00 0.00 H new ATOM 188 N GLY A 89 -11.820 2.939 -1.005 1.00 0.00 N ATOM 189 CA GLY A 89 -11.788 1.518 -0.714 1.00 0.00 C ATOM 190 C GLY A 89 -11.459 1.231 0.738 1.00 0.00 C ATOM 191 O GLY A 89 -11.883 1.961 1.633 1.00 0.00 O ATOM 0 H GLY A 89 -11.409 3.534 -0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.755 1.078 -0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.048 1.036 -1.353 1.00 0.00 H new ATOM 195 N THR A 90 -10.703 0.163 0.972 1.00 0.00 N ATOM 196 CA THR A 90 -10.318 -0.220 2.325 1.00 0.00 C ATOM 197 C THR A 90 -8.881 -0.728 2.358 1.00 0.00 C ATOM 198 O THR A 90 -8.574 -1.789 1.815 1.00 0.00 O ATOM 199 CB THR A 90 -11.265 -1.295 2.860 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.615 -0.892 2.713 1.00 0.00 O ATOM 201 CG2 THR A 90 -11.039 -1.616 4.322 1.00 0.00 C ATOM 0 H THR A 90 -10.345 -0.452 0.242 1.00 0.00 H new ATOM 0 HA THR A 90 -10.386 0.663 2.960 1.00 0.00 H new ATOM 0 HB THR A 90 -11.053 -2.187 2.271 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.205 -1.593 3.059 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.743 -2.386 4.639 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.020 -1.977 4.462 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.191 -0.717 4.920 1.00 0.00 H new ATOM 209 N PHE A 91 -8.003 0.036 3.000 1.00 0.00 N ATOM 210 CA PHE A 91 -6.598 -0.336 3.105 1.00 0.00 C ATOM 211 C PHE A 91 -6.399 -1.413 4.167 1.00 0.00 C ATOM 212 O PHE A 91 -7.325 -1.746 4.907 1.00 0.00 O ATOM 213 CB PHE A 91 -5.746 0.889 3.439 1.00 0.00 C ATOM 214 CG PHE A 91 -4.274 0.666 3.246 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.776 0.255 2.013 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.384 0.864 4.295 1.00 0.00 C ATOM 217 CE1 PHE A 91 -2.418 0.047 1.833 1.00 0.00 C ATOM 218 CE2 PHE A 91 -2.024 0.658 4.120 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.541 0.249 2.887 1.00 0.00 C ATOM 0 H PHE A 91 -8.241 0.917 3.455 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.282 -0.737 2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.064 1.724 2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.929 1.178 4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.455 0.097 1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.756 1.182 5.258 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.043 -0.272 0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.343 0.816 4.943 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.482 0.088 2.748 1.00 0.00 H new ATOM 229 N TYR A 92 -5.187 -1.955 4.236 1.00 0.00 N ATOM 230 CA TYR A 92 -4.870 -2.995 5.207 1.00 0.00 C ATOM 231 C TYR A 92 -3.366 -3.245 5.271 1.00 0.00 C ATOM 232 O TYR A 92 -2.619 -2.823 4.388 1.00 0.00 O ATOM 233 CB TYR A 92 -5.595 -4.290 4.851 1.00 0.00 C ATOM 234 CG TYR A 92 -7.063 -4.285 5.212 1.00 0.00 C ATOM 235 CD1 TYR A 92 -7.481 -3.980 6.507 1.00 0.00 C ATOM 236 CD2 TYR A 92 -8.034 -4.586 4.258 1.00 0.00 C ATOM 237 CE1 TYR A 92 -8.827 -3.976 6.840 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.382 -4.582 4.584 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.772 -4.278 5.875 1.00 0.00 C ATOM 240 OH TYR A 92 -11.109 -4.273 6.202 1.00 0.00 O ATOM 0 H TYR A 92 -4.409 -1.691 3.631 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.205 -2.654 6.186 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.494 -4.470 3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.108 -5.121 5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.746 -3.743 7.262 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.732 -4.826 3.249 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.136 -3.738 7.847 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.123 -4.815 3.834 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.640 -4.505 5.412 1.00 0.00 H new ATOM 250 N ARG A 93 -2.930 -3.938 6.318 1.00 0.00 N ATOM 251 CA ARG A 93 -1.516 -4.250 6.496 1.00 0.00 C ATOM 252 C ARG A 93 -1.300 -5.757 6.579 1.00 0.00 C ATOM 253 O ARG A 93 -0.269 -6.272 6.149 1.00 0.00 O ATOM 254 CB ARG A 93 -0.975 -3.578 7.760 1.00 0.00 C ATOM 255 CG ARG A 93 -1.434 -2.139 7.929 1.00 0.00 C ATOM 256 CD ARG A 93 -0.257 -1.198 8.136 1.00 0.00 C ATOM 257 NE ARG A 93 -0.228 -0.647 9.488 1.00 0.00 N ATOM 258 CZ ARG A 93 0.345 -1.256 10.519 1.00 0.00 C ATOM 259 NH1 ARG A 93 0.937 -2.431 10.353 1.00 0.00 N ATOM 260 NH2 ARG A 93 0.330 -0.691 11.719 1.00 0.00 N ATOM 0 H ARG A 93 -3.536 -4.295 7.057 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.975 -3.867 5.631 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.288 -4.155 8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.114 -3.603 7.736 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.997 -1.830 7.048 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.111 -2.070 8.781 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.673 -1.733 7.942 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.313 -0.384 7.414 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.673 0.257 9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.953 -2.869 9.432 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.377 -2.897 11.147 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.123 0.213 11.851 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.771 -1.161 12.510 1.00 0.00 H new ATOM 274 N THR A 94 -2.282 -6.457 7.138 1.00 0.00 N ATOM 275 CA THR A 94 -2.201 -7.905 7.279 1.00 0.00 C ATOM 276 C THR A 94 -3.489 -8.570 6.808 1.00 0.00 C ATOM 277 O THR A 94 -4.434 -8.734 7.580 1.00 0.00 O ATOM 278 CB THR A 94 -1.921 -8.281 8.734 1.00 0.00 C ATOM 279 OG1 THR A 94 -2.799 -7.592 9.607 1.00 0.00 O ATOM 280 CG2 THR A 94 -0.505 -7.973 9.169 1.00 0.00 C ATOM 0 H THR A 94 -3.142 -6.045 7.500 1.00 0.00 H new ATOM 0 HA THR A 94 -1.381 -8.261 6.655 1.00 0.00 H new ATOM 0 HB THR A 94 -2.074 -9.359 8.790 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.724 -7.727 9.314 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.373 -8.264 10.211 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.196 -8.528 8.546 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.316 -6.905 9.064 1.00 0.00 H new ATOM 288 N PRO A 95 -3.540 -8.963 5.527 1.00 0.00 N ATOM 289 CA PRO A 95 -4.716 -9.616 4.947 1.00 0.00 C ATOM 290 C PRO A 95 -4.920 -11.023 5.498 1.00 0.00 C ATOM 291 O PRO A 95 -4.274 -11.412 6.469 1.00 0.00 O ATOM 292 CB PRO A 95 -4.393 -9.668 3.452 1.00 0.00 C ATOM 293 CG PRO A 95 -2.905 -9.641 3.384 1.00 0.00 C ATOM 294 CD PRO A 95 -2.452 -8.803 4.548 1.00 0.00 C ATOM 0 HA PRO A 95 -5.637 -9.081 5.177 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.794 -10.571 2.992 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.829 -8.820 2.923 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.493 -10.648 3.445 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.565 -9.214 2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.499 -9.150 4.946 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.317 -7.759 4.264 1.00 0.00 H new ATOM 349 N LYS A 100 0.533 -13.259 6.198 1.00 0.00 N ATOM 350 CA LYS A 100 1.962 -13.048 6.394 1.00 0.00 C ATOM 351 C LYS A 100 2.287 -11.563 6.494 1.00 0.00 C ATOM 352 O LYS A 100 3.443 -11.159 6.356 1.00 0.00 O ATOM 353 CB LYS A 100 2.754 -13.679 5.246 1.00 0.00 C ATOM 354 CG LYS A 100 4.092 -14.256 5.674 1.00 0.00 C ATOM 355 CD LYS A 100 3.932 -15.633 6.298 1.00 0.00 C ATOM 356 CE LYS A 100 3.698 -16.700 5.239 1.00 0.00 C ATOM 357 NZ LYS A 100 2.975 -17.879 5.790 1.00 0.00 N ATOM 0 HA LYS A 100 2.248 -13.526 7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.155 -14.470 4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 100 2.922 -12.927 4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.754 -14.322 4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.567 -13.584 6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.825 -15.879 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.095 -15.622 6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.124 -16.275 4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.656 -17.020 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.835 -18.583 5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.534 -18.301 6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.050 -17.578 6.159 1.00 0.00 H new ATOM 371 N ALA A 101 1.263 -10.752 6.736 1.00 0.00 N ATOM 372 CA ALA A 101 1.441 -9.311 6.858 1.00 0.00 C ATOM 373 C ALA A 101 2.052 -8.721 5.591 1.00 0.00 C ATOM 374 O ALA A 101 3.039 -9.238 5.067 1.00 0.00 O ATOM 375 CB ALA A 101 2.311 -8.989 8.062 1.00 0.00 C ATOM 0 H ALA A 101 0.300 -11.069 6.852 1.00 0.00 H new ATOM 0 HA ALA A 101 0.459 -8.860 6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.436 -7.909 8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.835 -9.367 8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.287 -9.460 7.942 1.00 0.00 H new ATOM 381 N PHE A 102 1.461 -7.635 5.106 1.00 0.00 N ATOM 382 CA PHE A 102 1.948 -6.971 3.902 1.00 0.00 C ATOM 383 C PHE A 102 3.256 -6.237 4.184 1.00 0.00 C ATOM 384 O PHE A 102 3.872 -6.429 5.232 1.00 0.00 O ATOM 385 CB PHE A 102 0.899 -5.989 3.376 1.00 0.00 C ATOM 386 CG PHE A 102 0.117 -6.514 2.205 1.00 0.00 C ATOM 387 CD1 PHE A 102 0.764 -6.887 1.033 1.00 0.00 C ATOM 388 CD2 PHE A 102 -1.267 -6.635 2.275 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.045 -7.369 -0.049 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.991 -7.117 1.196 1.00 0.00 C ATOM 391 CZ PHE A 102 -1.334 -7.485 0.033 1.00 0.00 C ATOM 0 H PHE A 102 0.643 -7.195 5.528 1.00 0.00 H new ATOM 0 HA PHE A 102 2.133 -7.731 3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.208 -5.742 4.182 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.394 -5.062 3.085 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.838 -6.800 0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.783 -6.350 3.180 1.00 0.00 H new ATOM 0 HE1 PHE A 102 0.558 -7.654 -0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.065 -7.206 1.262 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.896 -7.862 -0.809 1.00 0.00 H new ATOM 401 N ILE A 103 3.673 -5.395 3.245 1.00 0.00 N ATOM 402 CA ILE A 103 4.907 -4.633 3.397 1.00 0.00 C ATOM 403 C ILE A 103 4.755 -3.552 4.462 1.00 0.00 C ATOM 404 O ILE A 103 4.580 -2.376 4.147 1.00 0.00 O ATOM 405 CB ILE A 103 5.330 -3.973 2.071 1.00 0.00 C ATOM 406 CG1 ILE A 103 5.349 -5.007 0.944 1.00 0.00 C ATOM 407 CG2 ILE A 103 6.694 -3.316 2.218 1.00 0.00 C ATOM 408 CD1 ILE A 103 6.039 -6.300 1.320 1.00 0.00 C ATOM 0 H ILE A 103 3.175 -5.223 2.371 1.00 0.00 H new ATOM 0 HA ILE A 103 5.678 -5.339 3.704 1.00 0.00 H new ATOM 0 HB ILE A 103 4.602 -3.202 1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.324 -5.226 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.849 -4.577 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.979 -2.854 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.649 -2.553 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.433 -4.069 2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 103 6.014 -6.985 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 103 7.075 -6.094 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.526 -6.753 2.168 1.00 0.00 H new ATOM 420 N GLU A 104 4.826 -3.960 5.725 1.00 0.00 N ATOM 421 CA GLU A 104 4.695 -3.026 6.839 1.00 0.00 C ATOM 422 C GLU A 104 5.740 -1.918 6.748 1.00 0.00 C ATOM 423 O GLU A 104 6.820 -2.113 6.191 1.00 0.00 O ATOM 424 CB GLU A 104 4.832 -3.765 8.170 1.00 0.00 C ATOM 425 CG GLU A 104 3.553 -3.777 8.992 1.00 0.00 C ATOM 426 CD GLU A 104 3.514 -4.918 9.991 1.00 0.00 C ATOM 427 OE1 GLU A 104 4.567 -5.216 10.592 1.00 0.00 O ATOM 428 OE2 GLU A 104 2.430 -5.511 10.171 1.00 0.00 O ATOM 0 H GLU A 104 4.973 -4.930 6.003 1.00 0.00 H new ATOM 0 HA GLU A 104 3.706 -2.571 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.139 -4.793 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.626 -3.300 8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.458 -2.830 9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.696 -3.855 8.323 1.00 0.00 H new ATOM 435 N VAL A 105 5.410 -0.755 7.300 1.00 0.00 N ATOM 436 CA VAL A 105 6.318 0.385 7.282 1.00 0.00 C ATOM 437 C VAL A 105 7.637 0.050 7.970 1.00 0.00 C ATOM 438 O VAL A 105 7.692 -0.823 8.837 1.00 0.00 O ATOM 439 CB VAL A 105 5.692 1.612 7.971 1.00 0.00 C ATOM 440 CG1 VAL A 105 6.719 2.724 8.121 1.00 0.00 C ATOM 441 CG2 VAL A 105 4.477 2.098 7.194 1.00 0.00 C ATOM 0 H VAL A 105 4.520 -0.578 7.765 1.00 0.00 H new ATOM 0 HA VAL A 105 6.507 0.621 6.235 1.00 0.00 H new ATOM 0 HB VAL A 105 5.363 1.318 8.968 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.257 3.582 8.610 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.554 2.369 8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.082 3.019 7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.048 2.965 7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.778 2.375 6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.734 1.302 7.146 1.00 0.00 H new ATOM 451 N GLY A 106 8.697 0.748 7.578 1.00 0.00 N ATOM 452 CA GLY A 106 10.002 0.511 8.167 1.00 0.00 C ATOM 453 C GLY A 106 10.772 -0.582 7.453 1.00 0.00 C ATOM 454 O GLY A 106 11.985 -0.709 7.625 1.00 0.00 O ATOM 0 H GLY A 106 8.676 1.474 6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.581 1.434 8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.880 0.239 9.215 1.00 0.00 H new ATOM 458 N GLN A 107 10.068 -1.373 6.651 1.00 0.00 N ATOM 459 CA GLN A 107 10.694 -2.461 5.909 1.00 0.00 C ATOM 460 C GLN A 107 11.068 -2.012 4.498 1.00 0.00 C ATOM 461 O GLN A 107 10.641 -0.952 4.041 1.00 0.00 O ATOM 462 CB GLN A 107 9.755 -3.666 5.842 1.00 0.00 C ATOM 463 CG GLN A 107 10.289 -4.810 4.995 1.00 0.00 C ATOM 464 CD GLN A 107 9.409 -6.043 5.058 1.00 0.00 C ATOM 465 OE1 GLN A 107 9.674 -6.971 5.822 1.00 0.00 O ATOM 466 NE2 GLN A 107 8.354 -6.059 4.253 1.00 0.00 N ATOM 0 H GLN A 107 9.064 -1.281 6.498 1.00 0.00 H new ATOM 0 HA GLN A 107 11.606 -2.749 6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.571 -4.029 6.853 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.794 -3.345 5.439 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.374 -4.481 3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 107 11.293 -5.068 5.331 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.172 -5.268 3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.725 -6.862 4.252 1.00 0.00 H new ATOM 475 N LYS A 108 11.866 -2.825 3.812 1.00 0.00 N ATOM 476 CA LYS A 108 12.293 -2.508 2.455 1.00 0.00 C ATOM 477 C LYS A 108 11.390 -3.184 1.428 1.00 0.00 C ATOM 478 O LYS A 108 10.631 -4.095 1.759 1.00 0.00 O ATOM 479 CB LYS A 108 13.746 -2.941 2.241 1.00 0.00 C ATOM 480 CG LYS A 108 13.894 -4.395 1.818 1.00 0.00 C ATOM 481 CD LYS A 108 14.053 -4.521 0.313 1.00 0.00 C ATOM 482 CE LYS A 108 15.490 -4.839 -0.070 1.00 0.00 C ATOM 483 NZ LYS A 108 16.383 -3.660 0.099 1.00 0.00 N ATOM 0 H LYS A 108 12.229 -3.707 4.174 1.00 0.00 H new ATOM 0 HA LYS A 108 12.220 -1.429 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 108 14.198 -2.303 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.303 -2.782 3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 108 14.759 -4.834 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.020 -4.960 2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.394 -5.305 -0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.745 -3.592 -0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.856 -5.662 0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.524 -5.175 -1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.353 -3.918 -0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.049 -2.882 -0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.371 -3.355 1.093 1.00 0.00 H new ATOM 497 N VAL A 109 11.477 -2.732 0.181 1.00 0.00 N ATOM 498 CA VAL A 109 10.668 -3.293 -0.894 1.00 0.00 C ATOM 499 C VAL A 109 11.455 -3.361 -2.197 1.00 0.00 C ATOM 500 O VAL A 109 11.762 -2.335 -2.803 1.00 0.00 O ATOM 501 CB VAL A 109 9.387 -2.468 -1.123 1.00 0.00 C ATOM 502 CG1 VAL A 109 8.325 -2.832 -0.098 1.00 0.00 C ATOM 503 CG2 VAL A 109 9.697 -0.979 -1.075 1.00 0.00 C ATOM 0 H VAL A 109 12.100 -1.978 -0.110 1.00 0.00 H new ATOM 0 HA VAL A 109 10.391 -4.302 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 109 8.997 -2.704 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.428 -2.239 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.083 -3.891 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.702 -2.628 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.781 -0.411 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.112 -0.725 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.420 -0.733 -1.852 1.00 0.00 H new ATOM 513 N ASN A 110 11.780 -4.578 -2.622 1.00 0.00 N ATOM 514 CA ASN A 110 12.533 -4.781 -3.855 1.00 0.00 C ATOM 515 C ASN A 110 11.596 -5.076 -5.021 1.00 0.00 C ATOM 516 O ASN A 110 10.665 -5.872 -4.897 1.00 0.00 O ATOM 517 CB ASN A 110 13.531 -5.928 -3.683 1.00 0.00 C ATOM 518 CG ASN A 110 12.984 -7.044 -2.816 1.00 0.00 C ATOM 519 OD1 ASN A 110 11.884 -7.546 -3.049 1.00 0.00 O ATOM 520 ND2 ASN A 110 13.753 -7.441 -1.808 1.00 0.00 N ATOM 0 H ASN A 110 11.534 -5.438 -2.131 1.00 0.00 H new ATOM 0 HA ASN A 110 13.079 -3.864 -4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 110 13.793 -6.328 -4.663 1.00 0.00 H new ATOM 0 HB3 ASN A 110 14.449 -5.544 -3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 110 13.439 -8.190 -1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 110 14.658 -6.997 -1.651 1.00 0.00 H new ATOM 527 N VAL A 111 11.846 -4.427 -6.154 1.00 0.00 N ATOM 528 CA VAL A 111 11.025 -4.620 -7.342 1.00 0.00 C ATOM 529 C VAL A 111 10.735 -6.098 -7.577 1.00 0.00 C ATOM 530 O VAL A 111 11.607 -6.851 -8.012 1.00 0.00 O ATOM 531 CB VAL A 111 11.704 -4.037 -8.595 1.00 0.00 C ATOM 532 CG1 VAL A 111 10.906 -4.380 -9.844 1.00 0.00 C ATOM 533 CG2 VAL A 111 11.873 -2.532 -8.460 1.00 0.00 C ATOM 0 H VAL A 111 12.611 -3.763 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 111 10.088 -4.092 -7.166 1.00 0.00 H new ATOM 0 HB VAL A 111 12.694 -4.484 -8.689 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.401 -3.960 -10.719 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.842 -5.463 -9.949 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.902 -3.963 -9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 111 12.355 -2.138 -9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.895 -2.066 -8.339 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.490 -2.312 -7.589 1.00 0.00 H new ATOM 543 N GLY A 112 9.505 -6.507 -7.285 1.00 0.00 N ATOM 544 CA GLY A 112 9.121 -7.894 -7.470 1.00 0.00 C ATOM 545 C GLY A 112 8.304 -8.428 -6.310 1.00 0.00 C ATOM 546 O GLY A 112 7.784 -9.542 -6.368 1.00 0.00 O ATOM 0 H GLY A 112 8.767 -5.903 -6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 112 8.545 -7.989 -8.390 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.017 -8.503 -7.590 1.00 0.00 H new ATOM 550 N ASP A 113 8.190 -7.630 -5.253 1.00 0.00 N ATOM 551 CA ASP A 113 7.431 -8.027 -4.074 1.00 0.00 C ATOM 552 C ASP A 113 6.078 -7.324 -4.036 1.00 0.00 C ATOM 553 O ASP A 113 5.897 -6.272 -4.650 1.00 0.00 O ATOM 554 CB ASP A 113 8.219 -7.710 -2.804 1.00 0.00 C ATOM 555 CG ASP A 113 8.673 -8.961 -2.077 1.00 0.00 C ATOM 556 OD1 ASP A 113 8.459 -10.069 -2.612 1.00 0.00 O ATOM 557 OD2 ASP A 113 9.241 -8.832 -0.972 1.00 0.00 O ATOM 0 H ASP A 113 8.614 -6.704 -5.190 1.00 0.00 H new ATOM 0 HA ASP A 113 7.260 -9.102 -4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.090 -7.107 -3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.601 -7.110 -2.137 1.00 0.00 H new ATOM 562 N THR A 114 5.132 -7.911 -3.312 1.00 0.00 N ATOM 563 CA THR A 114 3.796 -7.338 -3.194 1.00 0.00 C ATOM 564 C THR A 114 3.850 -5.971 -2.523 1.00 0.00 C ATOM 565 O THR A 114 4.903 -5.334 -2.474 1.00 0.00 O ATOM 566 CB THR A 114 2.886 -8.275 -2.399 1.00 0.00 C ATOM 567 OG1 THR A 114 3.456 -9.567 -2.304 1.00 0.00 O ATOM 568 CG2 THR A 114 1.506 -8.426 -3.004 1.00 0.00 C ATOM 0 H THR A 114 5.265 -8.782 -2.798 1.00 0.00 H new ATOM 0 HA THR A 114 3.389 -7.214 -4.198 1.00 0.00 H new ATOM 0 HB THR A 114 2.786 -7.814 -1.416 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.859 -10.151 -1.790 1.00 0.00 H new ATOM 0 HG21 THR A 114 0.912 -9.104 -2.391 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.018 -7.452 -3.045 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.593 -8.831 -4.012 1.00 0.00 H new ATOM 576 N LEU A 115 2.711 -5.523 -2.007 1.00 0.00 N ATOM 577 CA LEU A 115 2.632 -4.230 -1.339 1.00 0.00 C ATOM 578 C LEU A 115 1.441 -4.180 -0.388 1.00 0.00 C ATOM 579 O LEU A 115 1.608 -4.168 0.832 1.00 0.00 O ATOM 580 CB LEU A 115 2.524 -3.104 -2.370 1.00 0.00 C ATOM 581 CG LEU A 115 2.825 -1.704 -1.833 1.00 0.00 C ATOM 582 CD1 LEU A 115 4.129 -1.180 -2.413 1.00 0.00 C ATOM 583 CD2 LEU A 115 1.679 -0.756 -2.150 1.00 0.00 C ATOM 0 H LEU A 115 1.830 -6.036 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 115 3.544 -4.094 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.209 -3.317 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.517 -3.108 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 115 2.932 -1.765 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.327 -0.183 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.945 -1.848 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.051 -1.133 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.909 0.236 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.542 -0.699 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.764 -1.124 -1.687 1.00 0.00 H new ATOM 595 N CYS A 116 0.239 -4.152 -0.954 1.00 0.00 N ATOM 596 CA CYS A 116 -0.980 -4.104 -0.154 1.00 0.00 C ATOM 597 C CYS A 116 -2.218 -4.108 -1.047 1.00 0.00 C ATOM 598 O CYS A 116 -2.152 -3.736 -2.218 1.00 0.00 O ATOM 599 CB CYS A 116 -0.982 -2.859 0.735 1.00 0.00 C ATOM 600 SG CYS A 116 -0.410 -3.158 2.424 1.00 0.00 S ATOM 0 H CYS A 116 0.083 -4.162 -1.962 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.007 -4.993 0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.349 -2.098 0.278 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -1.993 -2.453 0.772 1.00 0.00 H new ATOM 0 HG CYS A 116 -1.421 -3.106 3.240 1.00 0.00 H new ATOM 606 N ILE A 117 -3.345 -4.528 -0.484 1.00 0.00 N ATOM 607 CA ILE A 117 -4.599 -4.580 -1.227 1.00 0.00 C ATOM 608 C ILE A 117 -5.507 -3.414 -0.848 1.00 0.00 C ATOM 609 O ILE A 117 -5.439 -2.896 0.267 1.00 0.00 O ATOM 610 CB ILE A 117 -5.348 -5.908 -0.979 1.00 0.00 C ATOM 611 CG1 ILE A 117 -4.635 -7.063 -1.683 1.00 0.00 C ATOM 612 CG2 ILE A 117 -6.789 -5.810 -1.457 1.00 0.00 C ATOM 613 CD1 ILE A 117 -4.475 -8.292 -0.816 1.00 0.00 C ATOM 0 H ILE A 117 -3.416 -4.838 0.485 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.345 -4.511 -2.285 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.353 -6.102 0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.193 -7.331 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.650 -6.727 -2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.298 -6.756 -1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.298 -5.012 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.804 -5.591 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -3.961 -9.071 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -3.891 -8.039 0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.457 -8.653 -0.511 1.00 0.00 H new ATOM 625 N VAL A 118 -6.359 -3.010 -1.784 1.00 0.00 N ATOM 626 CA VAL A 118 -7.285 -1.910 -1.552 1.00 0.00 C ATOM 627 C VAL A 118 -8.677 -2.432 -1.215 1.00 0.00 C ATOM 628 O VAL A 118 -9.458 -1.759 -0.541 1.00 0.00 O ATOM 629 CB VAL A 118 -7.380 -0.986 -2.781 1.00 0.00 C ATOM 630 CG1 VAL A 118 -8.007 0.346 -2.402 1.00 0.00 C ATOM 631 CG2 VAL A 118 -6.006 -0.781 -3.401 1.00 0.00 C ATOM 0 H VAL A 118 -6.427 -3.429 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.896 -1.339 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 118 -8.021 -1.463 -3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.065 0.985 -3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -9.010 0.177 -2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.396 0.832 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -6.092 -0.126 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -5.340 -0.327 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.600 -1.743 -3.713 1.00 0.00 H new ATOM 641 N GLU A 119 -8.983 -3.636 -1.688 1.00 0.00 N ATOM 642 CA GLU A 119 -10.281 -4.250 -1.437 1.00 0.00 C ATOM 643 C GLU A 119 -11.399 -3.220 -1.548 1.00 0.00 C ATOM 644 O GLU A 119 -12.118 -2.963 -0.583 1.00 0.00 O ATOM 645 CB GLU A 119 -10.305 -4.898 -0.051 1.00 0.00 C ATOM 646 CG GLU A 119 -11.570 -5.695 0.228 1.00 0.00 C ATOM 647 CD GLU A 119 -11.843 -5.852 1.711 1.00 0.00 C ATOM 648 OE1 GLU A 119 -12.163 -4.838 2.367 1.00 0.00 O ATOM 649 OE2 GLU A 119 -11.739 -6.990 2.216 1.00 0.00 O ATOM 0 H GLU A 119 -8.349 -4.206 -2.248 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.442 -5.020 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.442 -5.556 0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.201 -4.121 0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.419 -5.200 -0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.482 -6.681 -0.228 1.00 0.00 H new ATOM 656 N ALA A 120 -11.538 -2.633 -2.732 1.00 0.00 N ATOM 657 CA ALA A 120 -12.568 -1.630 -2.970 1.00 0.00 C ATOM 658 C ALA A 120 -13.868 -2.277 -3.436 1.00 0.00 C ATOM 659 O ALA A 120 -14.915 -1.632 -3.475 1.00 0.00 O ATOM 660 CB ALA A 120 -12.086 -0.612 -3.992 1.00 0.00 C ATOM 0 H ALA A 120 -10.950 -2.835 -3.541 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.766 -1.118 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -12.865 0.131 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -11.188 -0.119 -3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -11.859 -1.118 -4.930 1.00 0.00 H new ATOM 666 N MET A 121 -13.792 -3.556 -3.789 1.00 0.00 N ATOM 667 CA MET A 121 -14.962 -4.292 -4.251 1.00 0.00 C ATOM 668 C MET A 121 -14.695 -5.794 -4.241 1.00 0.00 C ATOM 669 O MET A 121 -15.190 -6.529 -5.096 1.00 0.00 O ATOM 670 CB MET A 121 -15.353 -3.840 -5.659 1.00 0.00 C ATOM 671 CG MET A 121 -14.566 -4.529 -6.762 1.00 0.00 C ATOM 672 SD MET A 121 -14.560 -3.588 -8.300 1.00 0.00 S ATOM 673 CE MET A 121 -16.088 -2.668 -8.142 1.00 0.00 C ATOM 0 H MET A 121 -12.932 -4.104 -3.764 1.00 0.00 H new ATOM 0 HA MET A 121 -15.786 -4.082 -3.570 1.00 0.00 H new ATOM 0 HB2 MET A 121 -16.416 -4.030 -5.810 1.00 0.00 H new ATOM 0 HB3 MET A 121 -15.207 -2.763 -5.739 1.00 0.00 H new ATOM 0 HG2 MET A 121 -13.539 -4.682 -6.430 1.00 0.00 H new ATOM 0 HG3 MET A 121 -14.992 -5.515 -6.945 1.00 0.00 H new ATOM 0 HE1 MET A 121 -16.372 -2.264 -9.114 1.00 0.00 H new ATOM 0 HE2 MET A 121 -16.875 -3.329 -7.780 1.00 0.00 H new ATOM 0 HE3 MET A 121 -15.949 -1.850 -7.436 1.00 0.00 H new ATOM 683 N LYS A 122 -13.909 -6.242 -3.268 1.00 0.00 N ATOM 684 CA LYS A 122 -13.573 -7.656 -3.145 1.00 0.00 C ATOM 685 C LYS A 122 -12.668 -8.101 -4.288 1.00 0.00 C ATOM 686 O LYS A 122 -12.442 -9.295 -4.484 1.00 0.00 O ATOM 687 CB LYS A 122 -14.847 -8.503 -3.126 1.00 0.00 C ATOM 688 CG LYS A 122 -15.174 -9.080 -1.757 1.00 0.00 C ATOM 689 CD LYS A 122 -13.936 -9.645 -1.079 1.00 0.00 C ATOM 690 CE LYS A 122 -13.362 -8.669 -0.065 1.00 0.00 C ATOM 691 NZ LYS A 122 -13.943 -8.854 1.262 1.00 0.00 N ATOM 0 H LYS A 122 -13.492 -5.646 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.037 -7.798 -2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -15.684 -7.892 -3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -14.741 -9.320 -3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.611 -8.304 -1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.923 -9.865 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.188 -10.582 -0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.181 -9.876 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -12.281 -8.798 -0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -13.544 -7.648 -0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -13.410 -8.292 1.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -14.935 -8.543 1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -13.898 -9.860 1.524 1.00 0.00 H new ATOM 702 N MET A 123 -12.153 -7.135 -5.040 1.00 0.00 N ATOM 703 CA MET A 123 -11.271 -7.429 -6.163 1.00 0.00 C ATOM 704 C MET A 123 -9.848 -7.692 -5.681 1.00 0.00 C ATOM 705 O MET A 123 -9.023 -8.236 -6.416 1.00 0.00 O ATOM 706 CB MET A 123 -11.279 -6.269 -7.163 1.00 0.00 C ATOM 707 CG MET A 123 -10.402 -5.099 -6.746 1.00 0.00 C ATOM 708 SD MET A 123 -10.942 -3.538 -7.469 1.00 0.00 S ATOM 709 CE MET A 123 -10.189 -2.365 -6.344 1.00 0.00 C ATOM 0 H MET A 123 -12.331 -6.142 -4.892 1.00 0.00 H new ATOM 0 HA MET A 123 -11.640 -8.327 -6.658 1.00 0.00 H new ATOM 0 HB2 MET A 123 -10.944 -6.635 -8.134 1.00 0.00 H new ATOM 0 HB3 MET A 123 -12.303 -5.917 -7.290 1.00 0.00 H new ATOM 0 HG2 MET A 123 -10.408 -5.014 -5.659 1.00 0.00 H new ATOM 0 HG3 MET A 123 -9.372 -5.297 -7.044 1.00 0.00 H new ATOM 0 HE1 MET A 123 -10.773 -1.444 -6.334 1.00 0.00 H new ATOM 0 HE2 MET A 123 -10.163 -2.789 -5.340 1.00 0.00 H new ATOM 0 HE3 MET A 123 -9.173 -2.147 -6.672 1.00 0.00 H new ATOM 719 N MET A 124 -9.568 -7.305 -4.441 1.00 0.00 N ATOM 720 CA MET A 124 -8.247 -7.499 -3.860 1.00 0.00 C ATOM 721 C MET A 124 -7.192 -6.724 -4.638 1.00 0.00 C ATOM 722 O MET A 124 -6.247 -7.307 -5.170 1.00 0.00 O ATOM 723 CB MET A 124 -7.892 -8.986 -3.833 1.00 0.00 C ATOM 724 CG MET A 124 -8.512 -9.739 -2.668 1.00 0.00 C ATOM 725 SD MET A 124 -10.279 -9.419 -2.496 1.00 0.00 S ATOM 726 CE MET A 124 -10.610 -10.183 -0.910 1.00 0.00 C ATOM 0 H MET A 124 -10.240 -6.855 -3.819 1.00 0.00 H new ATOM 0 HA MET A 124 -8.267 -7.121 -2.838 1.00 0.00 H new ATOM 0 HB2 MET A 124 -8.218 -9.446 -4.766 1.00 0.00 H new ATOM 0 HB3 MET A 124 -6.808 -9.091 -3.787 1.00 0.00 H new ATOM 0 HG2 MET A 124 -8.352 -10.808 -2.805 1.00 0.00 H new ATOM 0 HG3 MET A 124 -8.004 -9.456 -1.746 1.00 0.00 H new ATOM 0 HE1 MET A 124 -11.522 -10.776 -0.975 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.776 -10.829 -0.636 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.733 -9.409 -0.152 1.00 0.00 H new ATOM 736 N ASN A 125 -7.359 -5.407 -4.700 1.00 0.00 N ATOM 737 CA ASN A 125 -6.418 -4.551 -5.411 1.00 0.00 C ATOM 738 C ASN A 125 -5.045 -4.599 -4.751 1.00 0.00 C ATOM 739 O ASN A 125 -4.576 -3.607 -4.194 1.00 0.00 O ATOM 740 CB ASN A 125 -6.933 -3.111 -5.445 1.00 0.00 C ATOM 741 CG ASN A 125 -6.126 -2.231 -6.380 1.00 0.00 C ATOM 742 OD1 ASN A 125 -5.077 -2.634 -6.880 1.00 0.00 O ATOM 743 ND2 ASN A 125 -6.617 -1.021 -6.624 1.00 0.00 N ATOM 0 H ASN A 125 -8.137 -4.910 -4.266 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.325 -4.918 -6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -7.977 -3.109 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -6.901 -2.693 -4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -6.120 -0.385 -7.248 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -7.491 -0.728 -6.188 1.00 0.00 H new ATOM 750 N GLN A 126 -4.407 -5.763 -4.814 1.00 0.00 N ATOM 751 CA GLN A 126 -3.089 -5.949 -4.220 1.00 0.00 C ATOM 752 C GLN A 126 -2.007 -5.296 -5.074 1.00 0.00 C ATOM 753 O GLN A 126 -1.835 -5.639 -6.244 1.00 0.00 O ATOM 754 CB GLN A 126 -2.795 -7.439 -4.047 1.00 0.00 C ATOM 755 CG GLN A 126 -2.374 -8.131 -5.334 1.00 0.00 C ATOM 756 CD GLN A 126 -2.806 -9.584 -5.382 1.00 0.00 C ATOM 757 OE1 GLN A 126 -3.967 -9.908 -5.131 1.00 0.00 O ATOM 758 NE2 GLN A 126 -1.870 -10.469 -5.705 1.00 0.00 N ATOM 0 H GLN A 126 -4.783 -6.593 -5.272 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.086 -5.469 -3.241 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.007 -7.561 -3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.683 -7.933 -3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -2.802 -7.600 -6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -1.290 -8.074 -5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -0.920 -10.156 -5.905 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -2.101 -11.461 -5.753 1.00 0.00 H new ATOM 767 N ILE A 127 -1.284 -4.354 -4.480 1.00 0.00 N ATOM 768 CA ILE A 127 -0.220 -3.649 -5.183 1.00 0.00 C ATOM 769 C ILE A 127 1.111 -4.380 -5.033 1.00 0.00 C ATOM 770 O ILE A 127 1.407 -4.940 -3.978 1.00 0.00 O ATOM 771 CB ILE A 127 -0.063 -2.204 -4.664 1.00 0.00 C ATOM 772 CG1 ILE A 127 -1.274 -1.353 -5.059 1.00 0.00 C ATOM 773 CG2 ILE A 127 1.220 -1.584 -5.200 1.00 0.00 C ATOM 774 CD1 ILE A 127 -2.574 -2.123 -5.102 1.00 0.00 C ATOM 0 H ILE A 127 -1.416 -4.061 -3.512 1.00 0.00 H new ATOM 0 HA ILE A 127 -0.500 -3.618 -6.236 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.006 -2.234 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -1.374 -0.530 -4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -1.092 -0.911 -6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 127 1.316 -0.565 -4.825 1.00 0.00 H new ATOM 0 HG22 ILE A 127 2.075 -2.174 -4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 127 1.189 -1.568 -6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.384 -1.453 -5.389 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -2.495 -2.930 -5.831 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.781 -2.542 -4.117 1.00 0.00 H new ATOM 786 N GLU A 128 1.911 -4.366 -6.095 1.00 0.00 N ATOM 787 CA GLU A 128 3.211 -5.027 -6.081 1.00 0.00 C ATOM 788 C GLU A 128 4.339 -4.011 -6.233 1.00 0.00 C ATOM 789 O GLU A 128 4.474 -3.370 -7.275 1.00 0.00 O ATOM 790 CB GLU A 128 3.290 -6.067 -7.202 1.00 0.00 C ATOM 791 CG GLU A 128 2.677 -7.407 -6.832 1.00 0.00 C ATOM 792 CD GLU A 128 3.675 -8.546 -6.910 1.00 0.00 C ATOM 793 OE1 GLU A 128 4.850 -8.284 -7.242 1.00 0.00 O ATOM 794 OE2 GLU A 128 3.281 -9.700 -6.639 1.00 0.00 O ATOM 0 H GLU A 128 1.682 -3.904 -6.975 1.00 0.00 H new ATOM 0 HA GLU A 128 3.326 -5.529 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 128 2.784 -5.677 -8.085 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.335 -6.217 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.273 -7.351 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.840 -7.616 -7.498 1.00 0.00 H new ATOM 801 N ALA A 129 5.146 -3.870 -5.187 1.00 0.00 N ATOM 802 CA ALA A 129 6.263 -2.932 -5.204 1.00 0.00 C ATOM 803 C ALA A 129 7.160 -3.169 -6.413 1.00 0.00 C ATOM 804 O ALA A 129 7.655 -4.275 -6.625 1.00 0.00 O ATOM 805 CB ALA A 129 7.067 -3.046 -3.918 1.00 0.00 C ATOM 0 H ALA A 129 5.048 -4.393 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 129 5.857 -1.923 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.897 -2.340 -3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.425 -2.820 -3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.455 -4.060 -3.820 1.00 0.00 H new ATOM 811 N ASP A 130 7.366 -2.120 -7.206 1.00 0.00 N ATOM 812 CA ASP A 130 8.204 -2.214 -8.395 1.00 0.00 C ATOM 813 C ASP A 130 8.966 -0.913 -8.627 1.00 0.00 C ATOM 814 O ASP A 130 9.358 -0.605 -9.753 1.00 0.00 O ATOM 815 CB ASP A 130 7.351 -2.544 -9.621 1.00 0.00 C ATOM 816 CG ASP A 130 6.367 -1.440 -9.953 1.00 0.00 C ATOM 817 OD1 ASP A 130 6.525 -0.323 -9.418 1.00 0.00 O ATOM 818 OD2 ASP A 130 5.438 -1.693 -10.750 1.00 0.00 O ATOM 0 H ASP A 130 6.964 -1.197 -7.045 1.00 0.00 H new ATOM 0 HA ASP A 130 8.927 -3.015 -8.238 1.00 0.00 H new ATOM 0 HB2 ASP A 130 8.002 -2.717 -10.478 1.00 0.00 H new ATOM 0 HB3 ASP A 130 6.806 -3.471 -9.443 1.00 0.00 H new ATOM 823 N LYS A 131 9.172 -0.155 -7.556 1.00 0.00 N ATOM 824 CA LYS A 131 9.887 1.113 -7.644 1.00 0.00 C ATOM 825 C LYS A 131 11.227 1.035 -6.918 1.00 0.00 C ATOM 826 O LYS A 131 12.069 1.923 -7.052 1.00 0.00 O ATOM 827 CB LYS A 131 9.040 2.243 -7.057 1.00 0.00 C ATOM 828 CG LYS A 131 7.572 1.882 -6.898 1.00 0.00 C ATOM 829 CD LYS A 131 6.763 3.060 -6.379 1.00 0.00 C ATOM 830 CE LYS A 131 5.734 3.522 -7.399 1.00 0.00 C ATOM 831 NZ LYS A 131 6.366 3.905 -8.691 1.00 0.00 N ATOM 0 H LYS A 131 8.854 -0.396 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 131 10.077 1.321 -8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 131 9.445 2.522 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.123 3.120 -7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 131 7.170 1.557 -7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 131 7.475 1.041 -6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 131 6.259 2.778 -5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.433 3.885 -6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 131 5.010 2.725 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 131 5.182 4.373 -6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 5.754 4.583 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 7.291 4.343 -8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 6.494 3.057 -9.280 1.00 0.00 H new ATOM 845 N SER A 132 11.417 -0.031 -6.148 1.00 0.00 N ATOM 846 CA SER A 132 12.656 -0.223 -5.400 1.00 0.00 C ATOM 847 C SER A 132 12.840 0.880 -4.363 1.00 0.00 C ATOM 848 O SER A 132 12.630 2.058 -4.650 1.00 0.00 O ATOM 849 CB SER A 132 13.850 -0.249 -6.355 1.00 0.00 C ATOM 850 OG SER A 132 13.425 -0.302 -7.704 1.00 0.00 O ATOM 0 H SER A 132 10.730 -0.775 -6.025 1.00 0.00 H new ATOM 0 HA SER A 132 12.596 -1.178 -4.879 1.00 0.00 H new ATOM 0 HB2 SER A 132 14.463 0.638 -6.199 1.00 0.00 H new ATOM 0 HB3 SER A 132 14.477 -1.113 -6.134 1.00 0.00 H new ATOM 0 HG SER A 132 14.208 -0.316 -8.293 1.00 0.00 H new ATOM 856 N GLY A 133 13.236 0.489 -3.156 1.00 0.00 N ATOM 857 CA GLY A 133 13.444 1.456 -2.094 1.00 0.00 C ATOM 858 C GLY A 133 12.931 0.966 -0.755 1.00 0.00 C ATOM 859 O GLY A 133 12.596 -0.209 -0.602 1.00 0.00 O ATOM 0 H GLY A 133 13.417 -0.480 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 133 14.508 1.678 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 133 12.942 2.389 -2.353 1.00 0.00 H new ATOM 863 N THR A 134 12.871 1.868 0.220 1.00 0.00 N ATOM 864 CA THR A 134 12.395 1.522 1.554 1.00 0.00 C ATOM 865 C THR A 134 11.122 2.289 1.895 1.00 0.00 C ATOM 866 O THR A 134 11.078 3.515 1.791 1.00 0.00 O ATOM 867 CB THR A 134 13.475 1.817 2.595 1.00 0.00 C ATOM 868 OG1 THR A 134 14.750 1.419 2.124 1.00 0.00 O ATOM 869 CG2 THR A 134 13.237 1.120 3.917 1.00 0.00 C ATOM 0 H THR A 134 13.146 2.844 0.111 1.00 0.00 H new ATOM 0 HA THR A 134 12.169 0.456 1.566 1.00 0.00 H new ATOM 0 HB THR A 134 13.433 2.894 2.756 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.427 1.618 2.804 1.00 0.00 H new ATOM 0 HG21 THR A 134 14.039 1.372 4.611 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.283 1.444 4.333 1.00 0.00 H new ATOM 0 HG23 THR A 134 13.217 0.041 3.761 1.00 0.00 H new ATOM 877 N VAL A 135 10.088 1.560 2.303 1.00 0.00 N ATOM 878 CA VAL A 135 8.816 2.173 2.660 1.00 0.00 C ATOM 879 C VAL A 135 8.987 3.172 3.799 1.00 0.00 C ATOM 880 O VAL A 135 9.345 2.799 4.916 1.00 0.00 O ATOM 881 CB VAL A 135 7.778 1.114 3.074 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.546 1.777 3.671 1.00 0.00 C ATOM 883 CG2 VAL A 135 7.400 0.243 1.884 1.00 0.00 C ATOM 0 H VAL A 135 10.107 0.544 2.394 1.00 0.00 H new ATOM 0 HA VAL A 135 8.458 2.695 1.773 1.00 0.00 H new ATOM 0 HB VAL A 135 8.223 0.475 3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.824 1.012 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 135 6.833 2.353 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.097 2.442 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.666 -0.500 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 135 6.975 0.866 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 135 8.289 -0.262 1.506 1.00 0.00 H new ATOM 893 N LYS A 136 8.730 4.444 3.508 1.00 0.00 N ATOM 894 CA LYS A 136 8.856 5.497 4.509 1.00 0.00 C ATOM 895 C LYS A 136 7.762 5.381 5.564 1.00 0.00 C ATOM 896 O LYS A 136 8.046 5.236 6.753 1.00 0.00 O ATOM 897 CB LYS A 136 8.792 6.872 3.841 1.00 0.00 C ATOM 898 CG LYS A 136 9.769 7.880 4.427 1.00 0.00 C ATOM 899 CD LYS A 136 9.640 7.966 5.939 1.00 0.00 C ATOM 900 CE LYS A 136 10.794 8.742 6.553 1.00 0.00 C ATOM 901 NZ LYS A 136 10.914 10.109 5.977 1.00 0.00 N ATOM 0 H LYS A 136 8.434 4.770 2.588 1.00 0.00 H new ATOM 0 HA LYS A 136 9.822 5.382 5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 136 8.995 6.759 2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 136 7.779 7.264 3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 136 10.788 7.597 4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 136 9.588 8.861 3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 136 8.697 8.448 6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.611 6.961 6.361 1.00 0.00 H new ATOM 0 HE2 LYS A 136 10.650 8.814 7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 136 11.724 8.197 6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 11.446 10.716 6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 11.415 10.060 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 9.965 10.508 5.829 1.00 0.00 H new ATOM 915 N ALA A 137 6.511 5.446 5.123 1.00 0.00 N ATOM 916 CA ALA A 137 5.375 5.348 6.031 1.00 0.00 C ATOM 917 C ALA A 137 4.056 5.313 5.265 1.00 0.00 C ATOM 918 O ALA A 137 4.026 5.518 4.051 1.00 0.00 O ATOM 919 CB ALA A 137 5.385 6.508 7.014 1.00 0.00 C ATOM 0 H ALA A 137 6.258 5.566 4.142 1.00 0.00 H new ATOM 0 HA ALA A 137 5.466 4.414 6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.531 6.423 7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.307 6.485 7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.323 7.449 6.467 1.00 0.00 H new ATOM 925 N ILE A 138 2.970 5.051 5.984 1.00 0.00 N ATOM 926 CA ILE A 138 1.646 4.989 5.376 1.00 0.00 C ATOM 927 C ILE A 138 0.736 6.075 5.936 1.00 0.00 C ATOM 928 O ILE A 138 0.767 6.370 7.132 1.00 0.00 O ATOM 929 CB ILE A 138 0.991 3.613 5.604 1.00 0.00 C ATOM 930 CG1 ILE A 138 1.767 2.527 4.856 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.463 3.636 5.159 1.00 0.00 C ATOM 932 CD1 ILE A 138 0.997 1.235 4.695 1.00 0.00 C ATOM 0 H ILE A 138 2.981 4.878 6.989 1.00 0.00 H new ATOM 0 HA ILE A 138 1.777 5.147 4.306 1.00 0.00 H new ATOM 0 HB ILE A 138 1.018 3.386 6.670 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.041 2.902 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.695 2.323 5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.910 2.656 5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -1.007 4.387 5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.515 3.882 4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.609 0.512 4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.745 0.837 5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.081 1.425 4.135 1.00 0.00 H new ATOM 944 N LEU A 139 -0.075 6.672 5.067 1.00 0.00 N ATOM 945 CA LEU A 139 -0.991 7.729 5.480 1.00 0.00 C ATOM 946 C LEU A 139 -2.437 7.247 5.443 1.00 0.00 C ATOM 947 O LEU A 139 -3.252 7.632 6.282 1.00 0.00 O ATOM 948 CB LEU A 139 -0.828 8.955 4.578 1.00 0.00 C ATOM 949 CG LEU A 139 0.260 9.938 5.013 1.00 0.00 C ATOM 950 CD1 LEU A 139 1.640 9.353 4.756 1.00 0.00 C ATOM 951 CD2 LEU A 139 0.098 11.266 4.289 1.00 0.00 C ATOM 0 H LEU A 139 -0.116 6.442 4.074 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.746 8.004 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -0.607 8.616 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.779 9.485 4.535 1.00 0.00 H new ATOM 0 HG LEU A 139 0.157 10.116 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.402 10.066 5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.754 8.427 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.755 9.146 3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 139 0.880 11.953 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.175 11.106 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.878 11.692 4.523 1.00 0.00 H new ATOM 963 N VAL A 140 -2.750 6.403 4.466 1.00 0.00 N ATOM 964 CA VAL A 140 -4.099 5.870 4.321 1.00 0.00 C ATOM 965 C VAL A 140 -4.621 5.324 5.647 1.00 0.00 C ATOM 966 O VAL A 140 -5.817 5.390 5.928 1.00 0.00 O ATOM 967 CB VAL A 140 -4.153 4.755 3.261 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.516 4.080 3.263 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.828 5.313 1.885 1.00 0.00 C ATOM 0 H VAL A 140 -2.088 6.074 3.763 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.732 6.697 3.998 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.403 4.005 3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.534 3.295 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.705 3.644 4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.287 4.817 3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -3.871 4.511 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.553 6.084 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.827 5.744 1.894 1.00 0.00 H new ATOM 979 N GLU A 141 -3.716 4.784 6.457 1.00 0.00 N ATOM 980 CA GLU A 141 -4.086 4.227 7.753 1.00 0.00 C ATOM 981 C GLU A 141 -4.932 2.971 7.582 1.00 0.00 C ATOM 982 O GLU A 141 -6.158 3.042 7.489 1.00 0.00 O ATOM 983 CB GLU A 141 -4.848 5.262 8.581 1.00 0.00 C ATOM 984 CG GLU A 141 -3.953 6.102 9.478 1.00 0.00 C ATOM 985 CD GLU A 141 -4.420 7.541 9.585 1.00 0.00 C ATOM 986 OE1 GLU A 141 -5.642 7.777 9.488 1.00 0.00 O ATOM 987 OE2 GLU A 141 -3.562 8.431 9.763 1.00 0.00 O ATOM 0 H GLU A 141 -2.722 4.720 6.239 1.00 0.00 H new ATOM 0 HA GLU A 141 -3.170 3.958 8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -5.396 5.922 7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.587 4.750 9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -3.923 5.659 10.473 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -2.935 6.082 9.090 1.00 0.00 H new ATOM 994 N SER A 142 -4.270 1.820 7.542 1.00 0.00 N ATOM 995 CA SER A 142 -4.961 0.548 7.383 1.00 0.00 C ATOM 996 C SER A 142 -6.257 0.536 8.189 1.00 0.00 C ATOM 997 O SER A 142 -6.449 1.361 9.082 1.00 0.00 O ATOM 998 CB SER A 142 -4.058 -0.603 7.824 1.00 0.00 C ATOM 999 OG SER A 142 -4.575 -1.247 8.975 1.00 0.00 O ATOM 0 H SER A 142 -3.256 1.743 7.618 1.00 0.00 H new ATOM 0 HA SER A 142 -5.207 0.420 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.962 -1.325 7.013 1.00 0.00 H new ATOM 0 HB3 SER A 142 -3.058 -0.224 8.034 1.00 0.00 H new ATOM 0 HG SER A 142 -4.314 -2.191 8.967 1.00 0.00 H new ATOM 1005 N GLY A 143 -7.145 -0.401 7.869 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.408 -0.489 8.576 1.00 0.00 C ATOM 1007 C GLY A 143 -9.271 0.741 8.367 1.00 0.00 C ATOM 1008 O GLY A 143 -10.298 0.906 9.025 1.00 0.00 O ATOM 0 H GLY A 143 -7.012 -1.098 7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -8.950 -1.372 8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.217 -0.620 9.641 1.00 0.00 H new ATOM 1012 N GLN A 144 -8.851 1.605 7.448 1.00 0.00 N ATOM 1013 CA GLN A 144 -9.589 2.827 7.150 1.00 0.00 C ATOM 1014 C GLN A 144 -10.091 2.816 5.709 1.00 0.00 C ATOM 1015 O GLN A 144 -9.397 2.355 4.803 1.00 0.00 O ATOM 1016 CB GLN A 144 -8.703 4.052 7.384 1.00 0.00 C ATOM 1017 CG GLN A 144 -9.480 5.355 7.490 1.00 0.00 C ATOM 1018 CD GLN A 144 -8.584 6.549 7.756 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -8.768 7.271 8.736 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -7.608 6.762 6.882 1.00 0.00 N ATOM 0 H GLN A 144 -8.002 1.481 6.896 1.00 0.00 H new ATOM 0 HA GLN A 144 -10.449 2.878 7.818 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -8.129 3.905 8.299 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -7.985 4.132 6.567 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -10.033 5.520 6.566 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -10.215 5.271 8.291 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -7.493 6.137 6.084 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -6.973 7.550 7.009 1.00 0.00 H new ATOM 1029 N PRO A 145 -11.309 3.327 5.482 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.910 3.378 4.145 1.00 0.00 C ATOM 1031 C PRO A 145 -11.105 4.245 3.182 1.00 0.00 C ATOM 1032 O PRO A 145 -11.262 5.465 3.150 1.00 0.00 O ATOM 1033 CB PRO A 145 -13.293 3.993 4.390 1.00 0.00 C ATOM 1034 CG PRO A 145 -13.179 4.693 5.701 1.00 0.00 C ATOM 1035 CD PRO A 145 -12.196 3.897 6.508 1.00 0.00 C ATOM 0 HA PRO A 145 -11.947 2.392 3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -13.562 4.687 3.594 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -14.066 3.226 4.419 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -12.835 5.719 5.568 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -14.146 4.744 6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -11.649 4.525 7.211 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -12.689 3.120 7.092 1.00 0.00 H new ATOM 1043 N VAL A 146 -10.244 3.605 2.398 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.415 4.315 1.432 1.00 0.00 C ATOM 1045 C VAL A 146 -10.192 5.447 0.770 1.00 0.00 C ATOM 1046 O VAL A 146 -11.422 5.470 0.802 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.882 3.367 0.341 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -8.148 4.150 -0.736 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -7.977 2.306 0.950 1.00 0.00 C ATOM 0 H VAL A 146 -10.102 2.595 2.413 1.00 0.00 H new ATOM 0 HA VAL A 146 -8.572 4.729 1.984 1.00 0.00 H new ATOM 0 HB VAL A 146 -9.731 2.865 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -7.779 3.463 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -8.830 4.867 -1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -7.308 4.683 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -7.610 1.646 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -7.132 2.787 1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -8.539 1.724 1.680 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.466 6.385 0.172 1.00 0.00 N ATOM 1060 CA GLU A 147 -10.090 7.521 -0.497 1.00 0.00 C ATOM 1061 C GLU A 147 -9.318 7.901 -1.757 1.00 0.00 C ATOM 1062 O GLU A 147 -8.088 7.892 -1.770 1.00 0.00 O ATOM 1063 CB GLU A 147 -10.163 8.720 0.450 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.577 9.061 0.892 1.00 0.00 C ATOM 1065 CD GLU A 147 -11.912 8.499 2.260 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -11.422 9.053 3.265 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -12.665 7.505 2.324 1.00 0.00 O ATOM 0 H GLU A 147 -8.447 6.382 0.137 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.101 7.231 -0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -9.556 8.514 1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -9.726 9.589 -0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -11.697 10.144 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -12.286 8.673 0.160 1.00 0.00 H new ATOM 1074 N PHE A 148 -10.052 8.235 -2.815 1.00 0.00 N ATOM 1075 CA PHE A 148 -9.437 8.621 -4.079 1.00 0.00 C ATOM 1076 C PHE A 148 -8.161 9.421 -3.839 1.00 0.00 C ATOM 1077 O PHE A 148 -8.189 10.478 -3.208 1.00 0.00 O ATOM 1078 CB PHE A 148 -10.422 9.434 -4.918 1.00 0.00 C ATOM 1079 CG PHE A 148 -9.766 10.304 -5.953 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -8.697 9.829 -6.705 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -10.217 11.600 -6.176 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -8.091 10.630 -7.660 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -9.616 12.406 -7.130 1.00 0.00 C ATOM 1084 CZ PHE A 148 -8.551 11.921 -7.872 1.00 0.00 C ATOM 0 H PHE A 148 -11.072 8.246 -2.821 1.00 0.00 H new ATOM 0 HA PHE A 148 -9.174 7.714 -4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -11.111 8.751 -5.415 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -11.018 10.061 -4.255 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -8.335 8.824 -6.543 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -11.046 11.983 -5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -7.262 10.249 -8.238 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -9.977 13.410 -7.295 1.00 0.00 H new ATOM 0 HZ PHE A 148 -8.080 12.548 -8.615 1.00 0.00 H new ATOM 1094 N ASP A 149 -7.042 8.909 -4.342 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.757 9.577 -4.177 1.00 0.00 C ATOM 1096 C ASP A 149 -5.312 9.533 -2.719 1.00 0.00 C ATOM 1097 O ASP A 149 -5.150 10.570 -2.076 1.00 0.00 O ATOM 1098 CB ASP A 149 -5.846 11.028 -4.653 1.00 0.00 C ATOM 1099 CG ASP A 149 -4.713 11.400 -5.589 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -3.574 10.943 -5.355 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -4.965 12.149 -6.557 1.00 0.00 O ATOM 0 H ASP A 149 -7.000 8.035 -4.866 1.00 0.00 H new ATOM 0 HA ASP A 149 -5.019 9.051 -4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -6.798 11.183 -5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -5.833 11.692 -3.789 1.00 0.00 H new ATOM 1106 N GLU A 150 -5.117 8.323 -2.203 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.693 8.140 -0.821 1.00 0.00 C ATOM 1108 C GLU A 150 -3.346 7.425 -0.758 1.00 0.00 C ATOM 1109 O GLU A 150 -3.233 6.258 -1.132 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.745 7.342 -0.047 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.523 8.177 0.958 1.00 0.00 C ATOM 1112 CD GLU A 150 -5.619 8.962 1.888 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -4.757 8.339 2.543 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -5.774 10.198 1.962 1.00 0.00 O ATOM 0 H GLU A 150 -5.246 7.455 -2.723 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.584 9.124 -0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.444 6.896 -0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.254 6.522 0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -7.176 8.867 0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -7.165 7.523 1.548 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.305 8.124 -0.284 1.00 0.00 N ATOM 1122 CA PRO A 151 -0.957 7.560 -0.173 1.00 0.00 C ATOM 1123 C PRO A 151 -0.945 6.218 0.552 1.00 0.00 C ATOM 1124 O PRO A 151 -0.963 6.164 1.782 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.199 8.613 0.638 1.00 0.00 C ATOM 1126 CG PRO A 151 -0.913 9.890 0.362 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.361 9.522 0.179 1.00 0.00 C ATOM 0 HA PRO A 151 -0.519 7.357 -1.150 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -0.209 8.376 1.702 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.846 8.670 0.334 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -0.790 10.592 1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.517 10.374 -0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -2.919 9.614 1.111 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.850 10.167 -0.551 1.00 0.00 H new ATOM 1135 N LEU A 152 -0.912 5.136 -0.220 1.00 0.00 N ATOM 1136 CA LEU A 152 -0.896 3.793 0.347 1.00 0.00 C ATOM 1137 C LEU A 152 0.421 3.523 1.067 1.00 0.00 C ATOM 1138 O LEU A 152 0.434 3.146 2.239 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.111 2.750 -0.751 1.00 0.00 C ATOM 1140 CG LEU A 152 -2.513 2.734 -1.362 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -2.579 1.755 -2.524 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -3.549 2.382 -0.305 1.00 0.00 C ATOM 0 H LEU A 152 -0.896 5.164 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.708 3.722 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.387 2.927 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.899 1.763 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 152 -2.735 3.731 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -3.584 1.758 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -1.863 2.052 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.337 0.753 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -4.541 2.375 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.330 1.396 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.519 3.122 0.494 1.00 0.00 H new ATOM 1154 N VAL A 153 1.528 3.720 0.358 1.00 0.00 N ATOM 1155 CA VAL A 153 2.850 3.499 0.927 1.00 0.00 C ATOM 1156 C VAL A 153 3.901 4.349 0.222 1.00 0.00 C ATOM 1157 O VAL A 153 4.205 4.130 -0.951 1.00 0.00 O ATOM 1158 CB VAL A 153 3.261 2.018 0.836 1.00 0.00 C ATOM 1159 CG1 VAL A 153 4.723 1.843 1.217 1.00 0.00 C ATOM 1160 CG2 VAL A 153 2.368 1.160 1.719 1.00 0.00 C ATOM 0 H VAL A 153 1.534 4.033 -0.613 1.00 0.00 H new ATOM 0 HA VAL A 153 2.794 3.789 1.976 1.00 0.00 H new ATOM 0 HB VAL A 153 3.137 1.690 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.994 0.790 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 153 5.348 2.425 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 153 4.877 2.189 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 153 2.674 0.117 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 153 2.457 1.488 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 153 1.332 1.259 1.395 1.00 0.00 H new ATOM 1170 N VAL A 154 4.453 5.319 0.943 1.00 0.00 N ATOM 1171 CA VAL A 154 5.470 6.200 0.386 1.00 0.00 C ATOM 1172 C VAL A 154 6.871 5.681 0.689 1.00 0.00 C ATOM 1173 O VAL A 154 7.288 5.629 1.845 1.00 0.00 O ATOM 1174 CB VAL A 154 5.335 7.633 0.934 1.00 0.00 C ATOM 1175 CG1 VAL A 154 3.893 8.104 0.848 1.00 0.00 C ATOM 1176 CG2 VAL A 154 5.843 7.705 2.367 1.00 0.00 C ATOM 0 H VAL A 154 4.212 5.514 1.915 1.00 0.00 H new ATOM 0 HA VAL A 154 5.317 6.217 -0.693 1.00 0.00 H new ATOM 0 HB VAL A 154 5.946 8.296 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 154 3.818 9.118 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.568 8.092 -0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.258 7.440 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 154 5.740 8.725 2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.261 7.030 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 154 6.893 7.412 2.396 1.00 0.00 H new ATOM 1186 N ILE A 155 7.593 5.295 -0.358 1.00 0.00 N ATOM 1187 CA ILE A 155 8.948 4.778 -0.204 1.00 0.00 C ATOM 1188 C ILE A 155 9.960 5.912 -0.080 1.00 0.00 C ATOM 1189 O ILE A 155 9.745 7.009 -0.595 1.00 0.00 O ATOM 1190 CB ILE A 155 9.345 3.879 -1.391 1.00 0.00 C ATOM 1191 CG1 ILE A 155 8.193 2.943 -1.759 1.00 0.00 C ATOM 1192 CG2 ILE A 155 10.597 3.082 -1.055 1.00 0.00 C ATOM 1193 CD1 ILE A 155 8.013 2.763 -3.250 1.00 0.00 C ATOM 0 H ILE A 155 7.262 5.330 -1.322 1.00 0.00 H new ATOM 0 HA ILE A 155 8.957 4.185 0.711 1.00 0.00 H new ATOM 0 HB ILE A 155 9.561 4.512 -2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 155 8.367 1.969 -1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 155 7.268 3.334 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 155 10.865 2.452 -1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 155 11.417 3.767 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 155 10.407 2.456 -0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 155 7.179 2.087 -3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 155 7.807 3.729 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 155 8.923 2.343 -3.678 1.00 0.00 H new ATOM 1205 N GLU A 156 11.064 5.638 0.607 1.00 0.00 N ATOM 1206 CA GLU A 156 12.110 6.635 0.800 1.00 0.00 C ATOM 1207 C GLU A 156 13.418 5.976 1.228 1.00 0.00 C ATOM 1208 O GLU A 156 13.408 4.753 1.481 1.00 0.00 O ATOM 1209 CB GLU A 156 11.678 7.663 1.846 1.00 0.00 C ATOM 1210 CG GLU A 156 11.700 9.095 1.336 1.00 0.00 C ATOM 1211 CD GLU A 156 11.316 10.100 2.406 1.00 0.00 C ATOM 1212 OE1 GLU A 156 12.208 10.516 3.176 1.00 0.00 O ATOM 1213 OE2 GLU A 156 10.127 10.470 2.473 1.00 0.00 O ATOM 1214 OXT GLU A 156 14.441 6.687 1.306 1.00 0.00 O ATOM 0 H GLU A 156 11.257 4.734 1.039 1.00 0.00 H new ATOM 0 HA GLU A 156 12.273 7.142 -0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 156 10.671 7.422 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 156 12.334 7.585 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 156 12.697 9.329 0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 156 11.015 9.187 0.493 1.00 0.00 H new