USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 591 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 87 MET CE :methyl -170:sc= -0.0728 (180deg=-0.00494) USER MOD Set 1.2: A 125 ASN : amide:sc=-0.00495 X(o=-0.078,f=-0.0049) USER MOD Single : A 81 HIS : no HE2:sc= -2.24! C(o=-2.2!,f=-9.6!) USER MOD Single : A 85 SER OG : rot -13:sc= -2.02! USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.71! USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 47:sc= 0.00726 USER MOD Single : A 96 SER OG : rot 180:sc= -1.62! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -1.87 K(o=-1.9,f=-7.9!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.215 K(o=-0.21,f=-0.74) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0332 USER MOD Single : A 116 CYS SG : rot -150:sc= -2.1! USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 40:sc= 0.11 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0.0444 USER MOD Single : A 144 GLN : amide:sc= -0.558 K(o=-0.56,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 80 -9.967 11.545 -2.787 1.00 0.00 N ATOM 67 CA GLY A 80 -8.635 10.973 -2.848 1.00 0.00 C ATOM 68 C GLY A 80 -8.181 10.408 -1.517 1.00 0.00 C ATOM 69 O GLY A 80 -8.586 10.889 -0.458 1.00 0.00 O ATOM 0 HA2 GLY A 80 -8.617 10.183 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.930 11.738 -3.173 1.00 0.00 H new ATOM 73 N HIS A 81 -7.334 9.386 -1.571 1.00 0.00 N ATOM 74 CA HIS A 81 -6.817 8.752 -0.363 1.00 0.00 C ATOM 75 C HIS A 81 -5.692 7.783 -0.700 1.00 0.00 C ATOM 76 O HIS A 81 -5.885 6.567 -0.700 1.00 0.00 O ATOM 77 CB HIS A 81 -7.934 8.012 0.375 1.00 0.00 C ATOM 78 CG HIS A 81 -7.470 7.314 1.617 1.00 0.00 C ATOM 79 ND1 HIS A 81 -6.582 6.257 1.603 1.00 0.00 N ATOM 80 CD2 HIS A 81 -7.776 7.527 2.919 1.00 0.00 C ATOM 81 CE1 HIS A 81 -6.363 5.852 2.841 1.00 0.00 C ATOM 82 NE2 HIS A 81 -7.075 6.606 3.658 1.00 0.00 N ATOM 0 H HIS A 81 -6.990 8.978 -2.440 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.422 9.535 0.284 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.717 8.723 0.638 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.381 7.280 -0.298 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -6.161 5.852 0.767 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.447 8.281 3.304 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.712 5.042 3.135 1.00 0.00 H new ATOM 91 N ILE A 82 -4.516 8.326 -0.988 1.00 0.00 N ATOM 92 CA ILE A 82 -3.362 7.504 -1.324 1.00 0.00 C ATOM 93 C ILE A 82 -2.414 7.383 -0.141 1.00 0.00 C ATOM 94 O ILE A 82 -2.384 8.245 0.738 1.00 0.00 O ATOM 95 CB ILE A 82 -2.591 8.075 -2.528 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.566 8.577 -3.589 1.00 0.00 C ATOM 97 CG2 ILE A 82 -1.663 7.020 -3.111 1.00 0.00 C ATOM 98 CD1 ILE A 82 -2.895 9.005 -4.876 1.00 0.00 C ATOM 0 H ILE A 82 -4.337 9.330 -0.996 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.744 6.517 -1.585 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.986 8.916 -2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.287 7.790 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.128 9.419 -3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.125 7.439 -3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.949 6.703 -2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.249 6.162 -3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.650 9.350 -5.583 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.195 9.814 -4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.356 8.160 -5.304 1.00 0.00 H new ATOM 110 N VAL A 83 -1.641 6.307 -0.126 1.00 0.00 N ATOM 111 CA VAL A 83 -0.688 6.070 0.949 1.00 0.00 C ATOM 112 C VAL A 83 0.729 6.410 0.506 1.00 0.00 C ATOM 113 O VAL A 83 1.649 5.605 0.657 1.00 0.00 O ATOM 114 CB VAL A 83 -0.730 4.608 1.430 1.00 0.00 C ATOM 115 CG1 VAL A 83 -0.036 4.467 2.776 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.167 4.115 1.510 1.00 0.00 C ATOM 0 H VAL A 83 -1.655 5.584 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.975 6.720 1.776 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.197 3.991 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.076 3.427 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.005 4.778 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.538 5.095 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.178 3.080 1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.726 4.735 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.628 4.177 0.524 1.00 0.00 H new ATOM 126 N ARG A 84 0.896 7.609 -0.042 1.00 0.00 N ATOM 127 CA ARG A 84 2.200 8.063 -0.510 1.00 0.00 C ATOM 128 C ARG A 84 3.311 7.545 0.393 1.00 0.00 C ATOM 129 O ARG A 84 3.218 7.623 1.618 1.00 0.00 O ATOM 130 CB ARG A 84 2.241 9.591 -0.563 1.00 0.00 C ATOM 131 CG ARG A 84 1.473 10.260 0.567 1.00 0.00 C ATOM 132 CD ARG A 84 2.040 9.883 1.925 1.00 0.00 C ATOM 133 NE ARG A 84 1.723 10.875 2.949 1.00 0.00 N ATOM 134 CZ ARG A 84 1.762 10.625 4.253 1.00 0.00 C ATOM 135 NH1 ARG A 84 2.105 9.421 4.690 1.00 0.00 N ATOM 136 NH2 ARG A 84 1.461 11.579 5.123 1.00 0.00 N ATOM 0 H ARG A 84 0.143 8.285 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 84 2.357 7.667 -1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.280 9.920 -0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.832 9.924 -1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.511 11.342 0.443 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.423 9.970 0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.644 8.913 2.226 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.122 9.775 1.848 1.00 0.00 H new ATOM 0 HE ARG A 84 1.457 11.812 2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.340 8.685 4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.134 9.231 5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.199 12.507 4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.492 11.385 6.124 1.00 0.00 H new ATOM 150 N SER A 85 4.363 7.012 -0.217 1.00 0.00 N ATOM 151 CA SER A 85 5.490 6.484 0.538 1.00 0.00 C ATOM 152 C SER A 85 5.804 7.376 1.736 1.00 0.00 C ATOM 153 O SER A 85 6.472 8.400 1.597 1.00 0.00 O ATOM 154 CB SER A 85 6.721 6.366 -0.362 1.00 0.00 C ATOM 155 OG SER A 85 7.403 7.604 -0.457 1.00 0.00 O ATOM 0 H SER A 85 4.458 6.935 -1.230 1.00 0.00 H new ATOM 0 HA SER A 85 5.221 5.493 0.905 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.394 5.606 0.035 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.419 6.037 -1.356 1.00 0.00 H new ATOM 0 HG SER A 85 6.832 8.320 -0.107 1.00 0.00 H new ATOM 161 N PRO A 86 5.325 6.999 2.932 1.00 0.00 N ATOM 162 CA PRO A 86 5.561 7.773 4.155 1.00 0.00 C ATOM 163 C PRO A 86 7.047 7.983 4.417 1.00 0.00 C ATOM 164 O PRO A 86 7.434 8.833 5.219 1.00 0.00 O ATOM 165 CB PRO A 86 4.932 6.917 5.264 1.00 0.00 C ATOM 166 CG PRO A 86 4.728 5.568 4.659 1.00 0.00 C ATOM 167 CD PRO A 86 4.524 5.795 3.189 1.00 0.00 C ATOM 0 HA PRO A 86 5.133 8.774 4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.585 6.862 6.135 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.987 7.343 5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.591 4.927 4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.864 5.070 5.100 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.868 4.947 2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.473 5.949 2.945 1.00 0.00 H new ATOM 175 N MET A 87 7.875 7.203 3.731 1.00 0.00 N ATOM 176 CA MET A 87 9.321 7.299 3.877 1.00 0.00 C ATOM 177 C MET A 87 10.022 6.676 2.676 1.00 0.00 C ATOM 178 O MET A 87 9.382 6.062 1.822 1.00 0.00 O ATOM 179 CB MET A 87 9.773 6.606 5.163 1.00 0.00 C ATOM 180 CG MET A 87 9.732 5.089 5.084 1.00 0.00 C ATOM 181 SD MET A 87 9.913 4.304 6.696 1.00 0.00 S ATOM 182 CE MET A 87 8.237 3.749 6.992 1.00 0.00 C ATOM 0 H MET A 87 7.567 6.494 3.065 1.00 0.00 H new ATOM 0 HA MET A 87 9.591 8.354 3.931 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.789 6.922 5.398 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.139 6.936 5.986 1.00 0.00 H new ATOM 0 HG2 MET A 87 8.788 4.778 4.637 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.527 4.742 4.424 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.145 3.403 8.021 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.545 4.574 6.823 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.999 2.931 6.312 1.00 0.00 H new ATOM 192 N VAL A 88 11.339 6.838 2.612 1.00 0.00 N ATOM 193 CA VAL A 88 12.119 6.288 1.512 1.00 0.00 C ATOM 194 C VAL A 88 12.124 4.763 1.553 1.00 0.00 C ATOM 195 O VAL A 88 13.153 4.143 1.816 1.00 0.00 O ATOM 196 CB VAL A 88 13.572 6.796 1.544 1.00 0.00 C ATOM 197 CG1 VAL A 88 13.616 8.305 1.347 1.00 0.00 C ATOM 198 CG2 VAL A 88 14.247 6.401 2.849 1.00 0.00 C ATOM 0 H VAL A 88 11.887 7.345 3.308 1.00 0.00 H new ATOM 0 HA VAL A 88 11.646 6.624 0.589 1.00 0.00 H new ATOM 0 HB VAL A 88 14.118 6.330 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.651 8.645 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 88 13.174 8.559 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.054 8.792 2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.273 6.769 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.702 6.836 3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.250 5.315 2.943 1.00 0.00 H new ATOM 208 N GLY A 89 10.963 4.165 1.295 1.00 0.00 N ATOM 209 CA GLY A 89 10.855 2.717 1.312 1.00 0.00 C ATOM 210 C GLY A 89 10.435 2.147 -0.029 1.00 0.00 C ATOM 211 O GLY A 89 10.647 2.769 -1.070 1.00 0.00 O ATOM 0 H GLY A 89 10.097 4.657 1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.815 2.288 1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.132 2.419 2.072 1.00 0.00 H new ATOM 215 N THR A 90 9.838 0.958 -0.003 1.00 0.00 N ATOM 216 CA THR A 90 9.389 0.302 -1.227 1.00 0.00 C ATOM 217 C THR A 90 7.953 -0.195 -1.088 1.00 0.00 C ATOM 218 O THR A 90 7.631 -0.949 -0.170 1.00 0.00 O ATOM 219 CB THR A 90 10.309 -0.869 -1.570 1.00 0.00 C ATOM 220 OG1 THR A 90 11.581 -0.406 -1.989 1.00 0.00 O ATOM 221 CG2 THR A 90 9.761 -1.759 -2.665 1.00 0.00 C ATOM 0 H THR A 90 9.654 0.431 0.851 1.00 0.00 H new ATOM 0 HA THR A 90 9.425 1.036 -2.032 1.00 0.00 H new ATOM 0 HB THR A 90 10.386 -1.452 -0.652 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.154 -1.172 -2.202 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.463 -2.570 -2.860 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.804 -2.175 -2.351 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.622 -1.174 -3.574 1.00 0.00 H new ATOM 229 N PHE A 91 7.095 0.229 -2.010 1.00 0.00 N ATOM 230 CA PHE A 91 5.693 -0.175 -1.998 1.00 0.00 C ATOM 231 C PHE A 91 5.570 -1.685 -2.178 1.00 0.00 C ATOM 232 O PHE A 91 6.322 -2.288 -2.944 1.00 0.00 O ATOM 233 CB PHE A 91 4.932 0.553 -3.109 1.00 0.00 C ATOM 234 CG PHE A 91 3.505 0.106 -3.274 1.00 0.00 C ATOM 235 CD1 PHE A 91 2.491 0.668 -2.501 1.00 0.00 C ATOM 236 CD2 PHE A 91 3.172 -0.868 -4.211 1.00 0.00 C ATOM 237 CE1 PHE A 91 1.177 0.267 -2.662 1.00 0.00 C ATOM 238 CE2 PHE A 91 1.857 -1.272 -4.371 1.00 0.00 C ATOM 239 CZ PHE A 91 0.860 -0.703 -3.597 1.00 0.00 C ATOM 0 H PHE A 91 7.346 0.853 -2.776 1.00 0.00 H new ATOM 0 HA PHE A 91 5.260 0.093 -1.034 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.944 1.623 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.459 0.405 -4.052 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.733 1.424 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.946 -1.313 -4.819 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.399 0.711 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 91 1.609 -2.030 -5.099 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.166 -1.016 -3.723 1.00 0.00 H new ATOM 249 N TYR A 92 4.619 -2.289 -1.469 1.00 0.00 N ATOM 250 CA TYR A 92 4.398 -3.731 -1.552 1.00 0.00 C ATOM 251 C TYR A 92 2.928 -4.069 -1.340 1.00 0.00 C ATOM 252 O TYR A 92 2.318 -3.652 -0.356 1.00 0.00 O ATOM 253 CB TYR A 92 5.255 -4.472 -0.523 1.00 0.00 C ATOM 254 CG TYR A 92 6.702 -4.654 -0.934 1.00 0.00 C ATOM 255 CD1 TYR A 92 7.075 -4.679 -2.281 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.701 -4.796 0.027 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.403 -4.841 -2.652 1.00 0.00 C ATOM 258 CE2 TYR A 92 9.027 -4.960 -0.337 1.00 0.00 C ATOM 259 CZ TYR A 92 9.373 -4.982 -1.676 1.00 0.00 C ATOM 260 OH TYR A 92 10.690 -5.143 -2.040 1.00 0.00 O ATOM 0 H TYR A 92 3.989 -1.803 -0.831 1.00 0.00 H new ATOM 0 HA TYR A 92 4.690 -4.054 -2.551 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.223 -3.926 0.420 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.815 -5.452 -0.339 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.319 -4.571 -3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.437 -4.778 1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.677 -4.857 -3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.788 -5.070 0.422 1.00 0.00 H new ATOM 0 HH TYR A 92 11.244 -5.227 -1.236 1.00 0.00 H new ATOM 270 N ARG A 93 2.366 -4.832 -2.272 1.00 0.00 N ATOM 271 CA ARG A 93 0.967 -5.233 -2.191 1.00 0.00 C ATOM 272 C ARG A 93 0.834 -6.751 -2.248 1.00 0.00 C ATOM 273 O ARG A 93 -0.200 -7.279 -2.655 1.00 0.00 O ATOM 274 CB ARG A 93 0.166 -4.597 -3.329 1.00 0.00 C ATOM 275 CG ARG A 93 0.377 -5.274 -4.673 1.00 0.00 C ATOM 276 CD ARG A 93 -0.461 -4.623 -5.762 1.00 0.00 C ATOM 277 NE ARG A 93 -1.511 -5.511 -6.251 1.00 0.00 N ATOM 278 CZ ARG A 93 -1.274 -6.692 -6.815 1.00 0.00 C ATOM 279 NH1 ARG A 93 -0.028 -7.122 -6.958 1.00 0.00 N ATOM 280 NH2 ARG A 93 -2.284 -7.442 -7.235 1.00 0.00 N ATOM 0 H ARG A 93 2.859 -5.185 -3.092 1.00 0.00 H new ATOM 0 HA ARG A 93 0.569 -4.886 -1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.894 -4.629 -3.078 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.442 -3.546 -3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.431 -5.224 -4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.117 -6.330 -4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.911 -3.709 -5.375 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.184 -4.334 -6.592 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.481 -5.209 -6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.750 -6.547 -6.635 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.152 -8.028 -7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.243 -7.113 -7.126 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.101 -8.348 -7.667 1.00 0.00 H new ATOM 294 N THR A 94 1.889 -7.446 -1.837 1.00 0.00 N ATOM 295 CA THR A 94 1.892 -8.905 -1.840 1.00 0.00 C ATOM 296 C THR A 94 2.767 -9.449 -0.716 1.00 0.00 C ATOM 297 O THR A 94 3.994 -9.364 -0.772 1.00 0.00 O ATOM 298 CB THR A 94 2.386 -9.431 -3.188 1.00 0.00 C ATOM 299 OG1 THR A 94 3.457 -8.640 -3.673 1.00 0.00 O ATOM 300 CG2 THR A 94 1.311 -9.452 -4.252 1.00 0.00 C ATOM 0 H THR A 94 2.753 -7.023 -1.498 1.00 0.00 H new ATOM 0 HA THR A 94 0.870 -9.247 -1.677 1.00 0.00 H new ATOM 0 HB THR A 94 2.707 -10.455 -2.999 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.109 -8.498 -2.956 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.728 -9.836 -5.183 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.492 -10.095 -3.929 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.937 -8.441 -4.412 1.00 0.00 H new ATOM 308 N PRO A 95 2.141 -10.018 0.325 1.00 0.00 N ATOM 309 CA PRO A 95 2.859 -10.580 1.474 1.00 0.00 C ATOM 310 C PRO A 95 3.611 -11.858 1.118 1.00 0.00 C ATOM 311 O PRO A 95 4.763 -12.041 1.511 1.00 0.00 O ATOM 312 CB PRO A 95 1.743 -10.877 2.478 1.00 0.00 C ATOM 313 CG PRO A 95 0.527 -11.076 1.642 1.00 0.00 C ATOM 314 CD PRO A 95 0.680 -10.155 0.463 1.00 0.00 C ATOM 0 HA PRO A 95 3.621 -9.899 1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.967 -11.765 3.069 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.611 -10.053 3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.441 -12.113 1.318 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.376 -10.842 2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.229 -10.575 -0.436 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.201 -9.192 0.640 1.00 0.00 H new ATOM 322 N SER A 96 2.952 -12.740 0.372 1.00 0.00 N ATOM 323 CA SER A 96 3.560 -14.001 -0.036 1.00 0.00 C ATOM 324 C SER A 96 3.835 -14.013 -1.536 1.00 0.00 C ATOM 325 O SER A 96 3.342 -13.163 -2.275 1.00 0.00 O ATOM 326 CB SER A 96 2.651 -15.174 0.338 1.00 0.00 C ATOM 327 OG SER A 96 3.337 -16.113 1.146 1.00 0.00 O ATOM 0 H SER A 96 1.998 -12.604 0.038 1.00 0.00 H new ATOM 0 HA SER A 96 4.510 -14.104 0.489 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.775 -14.804 0.870 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.292 -15.663 -0.568 1.00 0.00 H new ATOM 0 HG SER A 96 2.734 -16.852 1.373 1.00 0.00 H new ATOM 333 N PRO A 97 4.630 -14.988 -2.003 1.00 0.00 N ATOM 334 CA PRO A 97 4.975 -15.118 -3.421 1.00 0.00 C ATOM 335 C PRO A 97 3.780 -15.541 -4.269 1.00 0.00 C ATOM 336 O PRO A 97 3.725 -15.260 -5.466 1.00 0.00 O ATOM 337 CB PRO A 97 6.049 -16.207 -3.429 1.00 0.00 C ATOM 338 CG PRO A 97 5.786 -17.008 -2.200 1.00 0.00 C ATOM 339 CD PRO A 97 5.253 -16.039 -1.181 1.00 0.00 C ATOM 0 HA PRO A 97 5.308 -14.172 -3.848 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.981 -16.823 -4.325 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.050 -15.776 -3.414 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.066 -17.802 -2.398 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.698 -17.487 -1.844 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.529 -16.512 -0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.048 -15.639 -0.552 1.00 0.00 H new ATOM 347 N ASP A 98 2.824 -16.217 -3.639 1.00 0.00 N ATOM 348 CA ASP A 98 1.629 -16.678 -4.335 1.00 0.00 C ATOM 349 C ASP A 98 0.380 -16.415 -3.500 1.00 0.00 C ATOM 350 O ASP A 98 -0.624 -17.116 -3.628 1.00 0.00 O ATOM 351 CB ASP A 98 1.740 -18.171 -4.651 1.00 0.00 C ATOM 352 CG ASP A 98 2.251 -18.975 -3.472 1.00 0.00 C ATOM 353 OD1 ASP A 98 1.607 -18.934 -2.401 1.00 0.00 O ATOM 354 OD2 ASP A 98 3.294 -19.646 -3.618 1.00 0.00 O ATOM 0 H ASP A 98 2.854 -16.457 -2.648 1.00 0.00 H new ATOM 0 HA ASP A 98 1.545 -16.122 -5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.763 -18.550 -4.949 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.409 -18.311 -5.500 1.00 0.00 H new ATOM 359 N ALA A 99 0.450 -15.400 -2.645 1.00 0.00 N ATOM 360 CA ALA A 99 -0.674 -15.042 -1.788 1.00 0.00 C ATOM 361 C ALA A 99 -1.801 -14.409 -2.596 1.00 0.00 C ATOM 362 O ALA A 99 -1.835 -14.515 -3.822 1.00 0.00 O ATOM 363 CB ALA A 99 -0.217 -14.098 -0.686 1.00 0.00 C ATOM 0 H ALA A 99 1.274 -14.811 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.058 -15.955 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.066 -13.839 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.549 -14.586 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.194 -13.192 -1.131 1.00 0.00 H new ATOM 369 N LYS A 100 -2.722 -13.749 -1.902 1.00 0.00 N ATOM 370 CA LYS A 100 -3.849 -13.096 -2.556 1.00 0.00 C ATOM 371 C LYS A 100 -3.643 -11.586 -2.617 1.00 0.00 C ATOM 372 O LYS A 100 -4.597 -10.823 -2.773 1.00 0.00 O ATOM 373 CB LYS A 100 -5.152 -13.416 -1.821 1.00 0.00 C ATOM 374 CG LYS A 100 -5.440 -14.905 -1.713 1.00 0.00 C ATOM 375 CD LYS A 100 -5.449 -15.367 -0.265 1.00 0.00 C ATOM 376 CE LYS A 100 -6.838 -15.802 0.174 1.00 0.00 C ATOM 377 NZ LYS A 100 -7.109 -17.224 -0.169 1.00 0.00 N ATOM 0 H LYS A 100 -2.710 -13.652 -0.887 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.914 -13.477 -3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.108 -12.989 -0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.980 -12.931 -2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.404 -15.124 -2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.687 -15.464 -2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.752 -16.196 -0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.100 -14.559 0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.939 -15.663 1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.585 -15.165 -0.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.066 -17.481 0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.038 -17.352 -1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.412 -17.834 0.304 1.00 0.00 H new ATOM 391 N ALA A 101 -2.389 -11.165 -2.495 1.00 0.00 N ATOM 392 CA ALA A 101 -2.051 -9.747 -2.538 1.00 0.00 C ATOM 393 C ALA A 101 -2.515 -9.029 -1.275 1.00 0.00 C ATOM 394 O ALA A 101 -3.353 -9.537 -0.529 1.00 0.00 O ATOM 395 CB ALA A 101 -2.659 -9.098 -3.771 1.00 0.00 C ATOM 0 H ALA A 101 -1.590 -11.785 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.966 -9.660 -2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.399 -8.040 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.271 -9.584 -4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.743 -9.205 -3.741 1.00 0.00 H new ATOM 401 N PHE A 102 -1.964 -7.841 -1.044 1.00 0.00 N ATOM 402 CA PHE A 102 -2.318 -7.046 0.126 1.00 0.00 C ATOM 403 C PHE A 102 -3.569 -6.215 -0.143 1.00 0.00 C ATOM 404 O PHE A 102 -4.412 -6.038 0.737 1.00 0.00 O ATOM 405 CB PHE A 102 -1.157 -6.130 0.516 1.00 0.00 C ATOM 406 CG PHE A 102 -0.453 -6.553 1.774 1.00 0.00 C ATOM 407 CD1 PHE A 102 -1.179 -7.015 2.867 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.934 -6.492 1.867 1.00 0.00 C ATOM 409 CE1 PHE A 102 -0.535 -7.408 4.028 1.00 0.00 C ATOM 410 CE2 PHE A 102 1.582 -6.884 3.027 1.00 0.00 C ATOM 411 CZ PHE A 102 0.847 -7.342 4.109 1.00 0.00 C ATOM 0 H PHE A 102 -1.270 -7.408 -1.653 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.525 -7.728 0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.437 -6.102 -0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.533 -5.115 0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.256 -7.068 2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.511 -6.136 1.027 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.109 -7.766 4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.659 -6.833 3.088 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.351 -7.647 5.014 1.00 0.00 H new ATOM 421 N ILE A 103 -3.682 -5.711 -1.367 1.00 0.00 N ATOM 422 CA ILE A 103 -4.828 -4.900 -1.758 1.00 0.00 C ATOM 423 C ILE A 103 -4.959 -4.834 -3.276 1.00 0.00 C ATOM 424 O ILE A 103 -3.993 -5.065 -4.002 1.00 0.00 O ATOM 425 CB ILE A 103 -4.723 -3.467 -1.201 1.00 0.00 C ATOM 426 CG1 ILE A 103 -3.296 -2.939 -1.361 1.00 0.00 C ATOM 427 CG2 ILE A 103 -5.145 -3.434 0.260 1.00 0.00 C ATOM 428 CD1 ILE A 103 -3.158 -1.890 -2.442 1.00 0.00 C ATOM 0 H ILE A 103 -2.993 -5.850 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.712 -5.379 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.395 -2.822 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.965 -2.517 -0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.632 -3.773 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.065 -2.415 0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.177 -3.774 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.496 -4.089 0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.120 -1.561 -2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.458 -2.314 -3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.796 -1.038 -2.206 1.00 0.00 H new ATOM 440 N GLU A 104 -6.161 -4.520 -3.748 1.00 0.00 N ATOM 441 CA GLU A 104 -6.415 -4.425 -5.181 1.00 0.00 C ATOM 442 C GLU A 104 -7.335 -3.249 -5.494 1.00 0.00 C ATOM 443 O GLU A 104 -8.161 -2.858 -4.670 1.00 0.00 O ATOM 444 CB GLU A 104 -7.036 -5.725 -5.697 1.00 0.00 C ATOM 445 CG GLU A 104 -6.173 -6.447 -6.719 1.00 0.00 C ATOM 446 CD GLU A 104 -6.994 -7.180 -7.761 1.00 0.00 C ATOM 447 OE1 GLU A 104 -8.190 -6.856 -7.911 1.00 0.00 O ATOM 448 OE2 GLU A 104 -6.440 -8.079 -8.428 1.00 0.00 O ATOM 0 H GLU A 104 -6.973 -4.327 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.462 -4.261 -5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.219 -6.390 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.005 -5.503 -6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.523 -5.726 -7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.526 -7.158 -6.205 1.00 0.00 H new ATOM 455 N VAL A 105 -7.184 -2.691 -6.691 1.00 0.00 N ATOM 456 CA VAL A 105 -8.000 -1.561 -7.115 1.00 0.00 C ATOM 457 C VAL A 105 -9.487 -1.873 -6.980 1.00 0.00 C ATOM 458 O VAL A 105 -9.964 -2.893 -7.477 1.00 0.00 O ATOM 459 CB VAL A 105 -7.700 -1.166 -8.573 1.00 0.00 C ATOM 460 CG1 VAL A 105 -8.354 -2.144 -9.538 1.00 0.00 C ATOM 461 CG2 VAL A 105 -8.165 0.256 -8.848 1.00 0.00 C ATOM 0 H VAL A 105 -6.504 -3.004 -7.384 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.746 -0.727 -6.461 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.622 -1.207 -8.726 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.131 -1.848 -10.563 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.967 -3.147 -9.357 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.433 -2.138 -9.386 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.945 0.517 -9.883 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.239 0.327 -8.677 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.645 0.944 -8.182 1.00 0.00 H new ATOM 471 N GLY A 106 -10.213 -0.989 -6.304 1.00 0.00 N ATOM 472 CA GLY A 106 -11.637 -1.191 -6.116 1.00 0.00 C ATOM 473 C GLY A 106 -11.957 -1.888 -4.808 1.00 0.00 C ATOM 474 O GLY A 106 -13.119 -1.976 -4.412 1.00 0.00 O ATOM 0 H GLY A 106 -9.841 -0.137 -5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.144 -0.227 -6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.029 -1.781 -6.944 1.00 0.00 H new ATOM 478 N GLN A 107 -10.923 -2.385 -4.137 1.00 0.00 N ATOM 479 CA GLN A 107 -11.101 -3.078 -2.866 1.00 0.00 C ATOM 480 C GLN A 107 -11.539 -2.106 -1.776 1.00 0.00 C ATOM 481 O GLN A 107 -10.720 -1.385 -1.207 1.00 0.00 O ATOM 482 CB GLN A 107 -9.801 -3.775 -2.455 1.00 0.00 C ATOM 483 CG GLN A 107 -9.724 -4.092 -0.970 1.00 0.00 C ATOM 484 CD GLN A 107 -10.972 -4.783 -0.456 1.00 0.00 C ATOM 485 OE1 GLN A 107 -11.876 -4.140 0.078 1.00 0.00 O ATOM 486 NE2 GLN A 107 -11.028 -6.100 -0.615 1.00 0.00 N ATOM 0 H GLN A 107 -9.955 -2.321 -4.451 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.881 -3.828 -2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.700 -4.701 -3.021 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.957 -3.141 -2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.858 -4.727 -0.782 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.569 -3.168 -0.413 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.256 -6.593 -1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.843 -6.619 -0.289 1.00 0.00 H new ATOM 495 N LYS A 108 -12.836 -2.091 -1.493 1.00 0.00 N ATOM 496 CA LYS A 108 -13.388 -1.206 -0.474 1.00 0.00 C ATOM 497 C LYS A 108 -12.754 -1.478 0.886 1.00 0.00 C ATOM 498 O LYS A 108 -13.371 -2.090 1.758 1.00 0.00 O ATOM 499 CB LYS A 108 -14.906 -1.379 -0.385 1.00 0.00 C ATOM 500 CG LYS A 108 -15.357 -2.831 -0.426 1.00 0.00 C ATOM 501 CD LYS A 108 -16.135 -3.137 -1.696 1.00 0.00 C ATOM 502 CE LYS A 108 -17.116 -4.279 -1.486 1.00 0.00 C ATOM 503 NZ LYS A 108 -16.639 -5.543 -2.113 1.00 0.00 N ATOM 0 H LYS A 108 -13.526 -2.683 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.162 -0.179 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.262 -0.923 0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.374 -0.839 -1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.487 -3.485 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.979 -3.045 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.675 -2.246 -2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -15.441 -3.394 -2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.266 -4.437 -0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -18.084 -4.008 -1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -17.336 -6.297 -1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -16.520 -5.400 -3.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -15.727 -5.816 -1.694 1.00 0.00 H new ATOM 517 N VAL A 109 -11.519 -1.019 1.062 1.00 0.00 N ATOM 518 CA VAL A 109 -10.804 -1.212 2.316 1.00 0.00 C ATOM 519 C VAL A 109 -11.629 -0.714 3.498 1.00 0.00 C ATOM 520 O VAL A 109 -12.679 -0.097 3.317 1.00 0.00 O ATOM 521 CB VAL A 109 -9.446 -0.485 2.309 1.00 0.00 C ATOM 522 CG1 VAL A 109 -8.450 -1.222 1.427 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.613 0.955 1.848 1.00 0.00 C ATOM 0 H VAL A 109 -10.993 -0.511 0.351 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.631 -2.283 2.420 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.056 -0.474 3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.497 -0.694 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.307 -2.234 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.831 -1.268 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.643 1.452 1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.026 0.969 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.290 1.477 2.524 1.00 0.00 H new ATOM 533 N ASN A 110 -11.151 -0.987 4.707 1.00 0.00 N ATOM 534 CA ASN A 110 -11.843 -0.569 5.914 1.00 0.00 C ATOM 535 C ASN A 110 -10.917 -0.626 7.119 1.00 0.00 C ATOM 536 O ASN A 110 -10.210 -1.612 7.331 1.00 0.00 O ATOM 537 CB ASN A 110 -13.066 -1.448 6.156 1.00 0.00 C ATOM 538 CG ASN A 110 -12.711 -2.767 6.816 1.00 0.00 C ATOM 539 OD1 ASN A 110 -11.935 -3.554 6.276 1.00 0.00 O ATOM 540 ND2 ASN A 110 -13.280 -3.013 7.990 1.00 0.00 N ATOM 0 H ASN A 110 -10.284 -1.498 4.874 1.00 0.00 H new ATOM 0 HA ASN A 110 -12.167 0.462 5.777 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -13.777 -0.911 6.784 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.563 -1.643 5.206 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -13.079 -3.884 8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -13.918 -2.331 8.401 1.00 0.00 H new ATOM 547 N VAL A 111 -10.931 0.439 7.903 1.00 0.00 N ATOM 548 CA VAL A 111 -10.099 0.526 9.096 1.00 0.00 C ATOM 549 C VAL A 111 -10.022 -0.817 9.811 1.00 0.00 C ATOM 550 O VAL A 111 -11.043 -1.455 10.067 1.00 0.00 O ATOM 551 CB VAL A 111 -10.633 1.586 10.077 1.00 0.00 C ATOM 552 CG1 VAL A 111 -10.544 2.976 9.465 1.00 0.00 C ATOM 553 CG2 VAL A 111 -12.065 1.264 10.480 1.00 0.00 C ATOM 0 H VAL A 111 -11.512 1.260 7.735 1.00 0.00 H new ATOM 0 HA VAL A 111 -9.102 0.817 8.765 1.00 0.00 H new ATOM 0 HB VAL A 111 -10.013 1.570 10.973 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.926 3.711 10.174 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.504 3.204 9.231 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -11.138 3.010 8.552 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.427 2.023 11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.698 1.251 9.593 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -12.096 0.287 10.962 1.00 0.00 H new ATOM 563 N GLY A 112 -8.803 -1.245 10.128 1.00 0.00 N ATOM 564 CA GLY A 112 -8.617 -2.513 10.808 1.00 0.00 C ATOM 565 C GLY A 112 -8.164 -3.613 9.867 1.00 0.00 C ATOM 566 O GLY A 112 -7.995 -4.760 10.278 1.00 0.00 O ATOM 0 H GLY A 112 -7.942 -0.736 9.926 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.880 -2.392 11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.552 -2.808 11.284 1.00 0.00 H new ATOM 570 N ASP A 113 -7.967 -3.260 8.602 1.00 0.00 N ATOM 571 CA ASP A 113 -7.531 -4.223 7.597 1.00 0.00 C ATOM 572 C ASP A 113 -6.174 -3.831 7.022 1.00 0.00 C ATOM 573 O ASP A 113 -6.086 -2.972 6.145 1.00 0.00 O ATOM 574 CB ASP A 113 -8.565 -4.322 6.475 1.00 0.00 C ATOM 575 CG ASP A 113 -8.600 -5.700 5.842 1.00 0.00 C ATOM 576 OD1 ASP A 113 -8.806 -6.686 6.579 1.00 0.00 O ATOM 577 OD2 ASP A 113 -8.421 -5.791 4.608 1.00 0.00 O ATOM 0 H ASP A 113 -8.102 -2.313 8.247 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.434 -5.196 8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -9.552 -4.082 6.871 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -8.339 -3.579 5.710 1.00 0.00 H new ATOM 582 N THR A 114 -5.120 -4.464 7.524 1.00 0.00 N ATOM 583 CA THR A 114 -3.765 -4.182 7.062 1.00 0.00 C ATOM 584 C THR A 114 -3.750 -3.872 5.569 1.00 0.00 C ATOM 585 O THR A 114 -3.714 -4.778 4.735 1.00 0.00 O ATOM 586 CB THR A 114 -2.846 -5.369 7.355 1.00 0.00 C ATOM 587 OG1 THR A 114 -3.065 -5.859 8.666 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.376 -5.033 7.229 1.00 0.00 C ATOM 0 H THR A 114 -5.177 -5.177 8.252 1.00 0.00 H new ATOM 0 HA THR A 114 -3.402 -3.307 7.600 1.00 0.00 H new ATOM 0 HB THR A 114 -3.095 -6.120 6.606 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.470 -6.619 8.835 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.780 -5.919 7.450 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.165 -4.698 6.213 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.122 -4.240 7.933 1.00 0.00 H new ATOM 596 N LEU A 115 -3.777 -2.585 5.237 1.00 0.00 N ATOM 597 CA LEU A 115 -3.766 -2.154 3.845 1.00 0.00 C ATOM 598 C LEU A 115 -2.701 -2.908 3.054 1.00 0.00 C ATOM 599 O LEU A 115 -2.968 -3.968 2.487 1.00 0.00 O ATOM 600 CB LEU A 115 -3.508 -0.648 3.758 1.00 0.00 C ATOM 601 CG LEU A 115 -4.763 0.224 3.720 1.00 0.00 C ATOM 602 CD1 LEU A 115 -4.419 1.666 4.059 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.427 0.139 2.352 1.00 0.00 C ATOM 0 H LEU A 115 -3.807 -1.823 5.914 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.742 -2.375 3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.902 -0.349 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.918 -0.447 2.864 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.465 -0.146 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.324 2.273 4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.986 1.712 5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.700 2.048 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.319 0.765 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.731 0.485 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.707 -0.894 2.147 1.00 0.00 H new ATOM 615 N CYS A 116 -1.495 -2.352 3.019 1.00 0.00 N ATOM 616 CA CYS A 116 -0.388 -2.968 2.299 1.00 0.00 C ATOM 617 C CYS A 116 0.893 -2.903 3.123 1.00 0.00 C ATOM 618 O CYS A 116 0.865 -2.574 4.309 1.00 0.00 O ATOM 619 CB CYS A 116 -0.182 -2.273 0.951 1.00 0.00 C ATOM 620 SG CYS A 116 -0.860 -0.599 0.873 1.00 0.00 S ATOM 0 H CYS A 116 -1.259 -1.474 3.482 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.633 -4.016 2.124 1.00 0.00 H new ATOM 0 HB2 CYS A 116 0.886 -2.232 0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.642 -2.877 0.169 1.00 0.00 H new ATOM 0 HG CYS A 116 -1.220 -0.333 -0.347 1.00 0.00 H new ATOM 626 N ILE A 117 2.016 -3.223 2.489 1.00 0.00 N ATOM 627 CA ILE A 117 3.306 -3.203 3.165 1.00 0.00 C ATOM 628 C ILE A 117 4.305 -2.332 2.406 1.00 0.00 C ATOM 629 O ILE A 117 4.194 -2.152 1.192 1.00 0.00 O ATOM 630 CB ILE A 117 3.862 -4.643 3.337 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.398 -5.225 4.674 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.385 -4.679 3.243 1.00 0.00 C ATOM 633 CD1 ILE A 117 3.986 -6.585 4.984 1.00 0.00 C ATOM 0 H ILE A 117 2.058 -3.499 1.508 1.00 0.00 H new ATOM 0 HA ILE A 117 3.159 -2.771 4.155 1.00 0.00 H new ATOM 0 HB ILE A 117 3.471 -5.251 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.665 -4.533 5.473 1.00 0.00 H new ATOM 0 HG13 ILE A 117 2.311 -5.302 4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.733 -5.704 3.369 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.698 -4.306 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.813 -4.052 4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.611 -6.933 5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.698 -7.292 4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 117 5.073 -6.511 5.023 1.00 0.00 H new ATOM 645 N VAL A 118 5.279 -1.800 3.133 1.00 0.00 N ATOM 646 CA VAL A 118 6.304 -0.951 2.540 1.00 0.00 C ATOM 647 C VAL A 118 7.661 -1.206 3.186 1.00 0.00 C ATOM 648 O VAL A 118 7.936 -0.730 4.286 1.00 0.00 O ATOM 649 CB VAL A 118 5.952 0.542 2.685 1.00 0.00 C ATOM 650 CG1 VAL A 118 6.950 1.402 1.925 1.00 0.00 C ATOM 651 CG2 VAL A 118 4.534 0.805 2.202 1.00 0.00 C ATOM 0 H VAL A 118 5.381 -1.942 4.138 1.00 0.00 H new ATOM 0 HA VAL A 118 6.352 -1.202 1.480 1.00 0.00 H new ATOM 0 HB VAL A 118 6.007 0.809 3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 118 6.685 2.453 2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.951 1.235 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 118 6.930 1.135 0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 118 4.303 1.865 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.449 0.522 1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.833 0.217 2.795 1.00 0.00 H new ATOM 661 N GLU A 119 8.505 -1.965 2.493 1.00 0.00 N ATOM 662 CA GLU A 119 9.833 -2.288 3.001 1.00 0.00 C ATOM 663 C GLU A 119 10.680 -1.031 3.169 1.00 0.00 C ATOM 664 O GLU A 119 11.393 -0.623 2.251 1.00 0.00 O ATOM 665 CB GLU A 119 10.535 -3.268 2.062 1.00 0.00 C ATOM 666 CG GLU A 119 10.735 -4.650 2.662 1.00 0.00 C ATOM 667 CD GLU A 119 12.063 -5.269 2.269 1.00 0.00 C ATOM 668 OE1 GLU A 119 12.843 -4.600 1.558 1.00 0.00 O ATOM 669 OE2 GLU A 119 12.323 -6.422 2.673 1.00 0.00 O ATOM 0 H GLU A 119 8.293 -2.367 1.580 1.00 0.00 H new ATOM 0 HA GLU A 119 9.714 -2.752 3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.953 -3.360 1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.506 -2.858 1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.677 -4.582 3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.924 -5.303 2.339 1.00 0.00 H new ATOM 676 N ALA A 120 10.601 -0.426 4.348 1.00 0.00 N ATOM 677 CA ALA A 120 11.362 0.780 4.644 1.00 0.00 C ATOM 678 C ALA A 120 12.856 0.465 4.741 1.00 0.00 C ATOM 679 O ALA A 120 13.389 -0.273 3.912 1.00 0.00 O ATOM 680 CB ALA A 120 10.847 1.413 5.930 1.00 0.00 C ATOM 0 H ALA A 120 10.015 -0.753 5.117 1.00 0.00 H new ATOM 0 HA ALA A 120 11.228 1.494 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.420 2.315 6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.795 1.671 5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.957 0.707 6.753 1.00 0.00 H new ATOM 686 N MET A 121 13.524 1.020 5.753 1.00 0.00 N ATOM 687 CA MET A 121 14.951 0.787 5.955 1.00 0.00 C ATOM 688 C MET A 121 15.316 -0.626 5.533 1.00 0.00 C ATOM 689 O MET A 121 16.358 -0.865 4.923 1.00 0.00 O ATOM 690 CB MET A 121 15.310 0.995 7.427 1.00 0.00 C ATOM 691 CG MET A 121 14.389 0.257 8.389 1.00 0.00 C ATOM 692 SD MET A 121 13.786 1.315 9.720 1.00 0.00 S ATOM 693 CE MET A 121 15.167 1.248 10.860 1.00 0.00 C ATOM 0 H MET A 121 13.097 1.635 6.446 1.00 0.00 H new ATOM 0 HA MET A 121 15.512 1.495 5.345 1.00 0.00 H new ATOM 0 HB2 MET A 121 16.335 0.664 7.593 1.00 0.00 H new ATOM 0 HB3 MET A 121 15.279 2.061 7.653 1.00 0.00 H new ATOM 0 HG2 MET A 121 13.540 -0.146 7.837 1.00 0.00 H new ATOM 0 HG3 MET A 121 14.922 -0.592 8.817 1.00 0.00 H new ATOM 0 HE1 MET A 121 14.944 1.856 11.737 1.00 0.00 H new ATOM 0 HE2 MET A 121 15.336 0.216 11.167 1.00 0.00 H new ATOM 0 HE3 MET A 121 16.062 1.632 10.370 1.00 0.00 H new ATOM 703 N LYS A 122 14.431 -1.552 5.861 1.00 0.00 N ATOM 704 CA LYS A 122 14.612 -2.954 5.527 1.00 0.00 C ATOM 705 C LYS A 122 13.578 -3.797 6.257 1.00 0.00 C ATOM 706 O LYS A 122 13.870 -4.895 6.731 1.00 0.00 O ATOM 707 CB LYS A 122 16.027 -3.416 5.888 1.00 0.00 C ATOM 708 CG LYS A 122 16.241 -4.913 5.730 1.00 0.00 C ATOM 709 CD LYS A 122 15.482 -5.468 4.534 1.00 0.00 C ATOM 710 CE LYS A 122 15.989 -4.877 3.229 1.00 0.00 C ATOM 711 NZ LYS A 122 17.192 -5.553 2.753 1.00 0.00 N ATOM 0 H LYS A 122 13.567 -1.353 6.366 1.00 0.00 H new ATOM 0 HA LYS A 122 14.476 -3.078 4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.744 -2.887 5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.239 -3.135 6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 122 17.305 -5.118 5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 122 15.916 -5.424 6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 122 15.585 -6.553 4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.419 -5.252 4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 122 15.209 -4.949 2.471 1.00 0.00 H new ATOM 0 HE3 LYS A 122 16.200 -3.817 3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 17.504 -5.119 1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 17.945 -5.463 3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 16.985 -6.560 2.594 1.00 0.00 H new ATOM 722 N MET A 123 12.367 -3.261 6.354 1.00 0.00 N ATOM 723 CA MET A 123 11.279 -3.942 7.034 1.00 0.00 C ATOM 724 C MET A 123 9.941 -3.625 6.379 1.00 0.00 C ATOM 725 O MET A 123 9.624 -2.465 6.115 1.00 0.00 O ATOM 726 CB MET A 123 11.255 -3.524 8.501 1.00 0.00 C ATOM 727 CG MET A 123 12.507 -3.923 9.259 1.00 0.00 C ATOM 728 SD MET A 123 12.498 -5.658 9.752 1.00 0.00 S ATOM 729 CE MET A 123 11.924 -5.527 11.443 1.00 0.00 C ATOM 0 H MET A 123 12.116 -2.351 5.967 1.00 0.00 H new ATOM 0 HA MET A 123 11.443 -5.017 6.962 1.00 0.00 H new ATOM 0 HB2 MET A 123 11.131 -2.443 8.562 1.00 0.00 H new ATOM 0 HB3 MET A 123 10.387 -3.972 8.985 1.00 0.00 H new ATOM 0 HG2 MET A 123 13.381 -3.731 8.636 1.00 0.00 H new ATOM 0 HG3 MET A 123 12.604 -3.298 10.146 1.00 0.00 H new ATOM 0 HE1 MET A 123 11.866 -6.521 11.886 1.00 0.00 H new ATOM 0 HE2 MET A 123 12.620 -4.915 12.017 1.00 0.00 H new ATOM 0 HE3 MET A 123 10.937 -5.065 11.457 1.00 0.00 H new ATOM 739 N MET A 124 9.160 -4.667 6.120 1.00 0.00 N ATOM 740 CA MET A 124 7.852 -4.508 5.495 1.00 0.00 C ATOM 741 C MET A 124 6.909 -3.724 6.402 1.00 0.00 C ATOM 742 O MET A 124 6.353 -4.268 7.356 1.00 0.00 O ATOM 743 CB MET A 124 7.246 -5.875 5.173 1.00 0.00 C ATOM 744 CG MET A 124 7.604 -6.955 6.182 1.00 0.00 C ATOM 745 SD MET A 124 6.346 -8.241 6.298 1.00 0.00 S ATOM 746 CE MET A 124 7.293 -9.577 7.026 1.00 0.00 C ATOM 0 H MET A 124 9.410 -5.633 6.333 1.00 0.00 H new ATOM 0 HA MET A 124 7.986 -3.951 4.568 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.161 -5.780 5.126 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.582 -6.188 4.184 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.556 -7.407 5.902 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.744 -6.499 7.162 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.650 -10.447 7.161 1.00 0.00 H new ATOM 0 HE2 MET A 124 8.122 -9.836 6.367 1.00 0.00 H new ATOM 0 HE3 MET A 124 7.684 -9.261 7.993 1.00 0.00 H new ATOM 756 N ASN A 125 6.731 -2.442 6.097 1.00 0.00 N ATOM 757 CA ASN A 125 5.854 -1.583 6.884 1.00 0.00 C ATOM 758 C ASN A 125 4.390 -1.851 6.552 1.00 0.00 C ATOM 759 O ASN A 125 3.788 -1.148 5.741 1.00 0.00 O ATOM 760 CB ASN A 125 6.185 -0.111 6.633 1.00 0.00 C ATOM 761 CG ASN A 125 6.248 0.694 7.917 1.00 0.00 C ATOM 762 OD1 ASN A 125 5.231 1.183 8.408 1.00 0.00 O ATOM 763 ND2 ASN A 125 7.448 0.837 8.468 1.00 0.00 N ATOM 0 H ASN A 125 7.183 -1.976 5.310 1.00 0.00 H new ATOM 0 HA ASN A 125 6.017 -1.809 7.938 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.141 -0.040 6.115 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.432 0.321 5.973 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.552 1.369 9.332 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.265 0.415 8.027 1.00 0.00 H new ATOM 770 N GLN A 126 3.824 -2.874 7.183 1.00 0.00 N ATOM 771 CA GLN A 126 2.430 -3.236 6.953 1.00 0.00 C ATOM 772 C GLN A 126 1.494 -2.122 7.412 1.00 0.00 C ATOM 773 O GLN A 126 1.261 -1.945 8.607 1.00 0.00 O ATOM 774 CB GLN A 126 2.093 -4.537 7.684 1.00 0.00 C ATOM 775 CG GLN A 126 2.160 -4.419 9.198 1.00 0.00 C ATOM 776 CD GLN A 126 2.522 -5.729 9.868 1.00 0.00 C ATOM 777 OE1 GLN A 126 3.692 -6.112 9.920 1.00 0.00 O ATOM 778 NE2 GLN A 126 1.518 -6.427 10.385 1.00 0.00 N ATOM 0 H GLN A 126 4.308 -3.467 7.857 1.00 0.00 H new ATOM 0 HA GLN A 126 2.290 -3.382 5.882 1.00 0.00 H new ATOM 0 HB2 GLN A 126 1.091 -4.856 7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 126 2.782 -5.316 7.358 1.00 0.00 H new ATOM 0 HG2 GLN A 126 2.896 -3.661 9.468 1.00 0.00 H new ATOM 0 HG3 GLN A 126 1.197 -4.076 9.575 1.00 0.00 H new ATOM 0 HE21 GLN A 126 0.564 -6.073 10.320 1.00 0.00 H new ATOM 0 HE22 GLN A 126 1.701 -7.318 10.848 1.00 0.00 H new ATOM 787 N ILE A 127 0.960 -1.376 6.451 1.00 0.00 N ATOM 788 CA ILE A 127 0.049 -0.280 6.754 1.00 0.00 C ATOM 789 C ILE A 127 -1.330 -0.805 7.140 1.00 0.00 C ATOM 790 O ILE A 127 -1.836 -1.750 6.538 1.00 0.00 O ATOM 791 CB ILE A 127 -0.096 0.677 5.555 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.275 0.978 4.948 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.787 1.963 5.985 1.00 0.00 C ATOM 794 CD1 ILE A 127 2.214 1.688 5.899 1.00 0.00 C ATOM 0 H ILE A 127 1.143 -1.511 5.457 1.00 0.00 H new ATOM 0 HA ILE A 127 0.477 0.265 7.595 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.711 0.195 4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 127 1.734 0.043 4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.142 1.591 4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.882 2.629 5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.778 1.731 6.376 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.197 2.452 6.760 1.00 0.00 H new ATOM 0 HD11 ILE A 127 3.167 1.869 5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.775 2.639 6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.377 1.068 6.780 1.00 0.00 H new ATOM 806 N GLU A 128 -1.930 -0.185 8.151 1.00 0.00 N ATOM 807 CA GLU A 128 -3.250 -0.591 8.621 1.00 0.00 C ATOM 808 C GLU A 128 -4.297 0.465 8.283 1.00 0.00 C ATOM 809 O GLU A 128 -4.177 1.622 8.688 1.00 0.00 O ATOM 810 CB GLU A 128 -3.222 -0.836 10.130 1.00 0.00 C ATOM 811 CG GLU A 128 -1.996 -1.601 10.599 1.00 0.00 C ATOM 812 CD GLU A 128 -2.346 -2.768 11.501 1.00 0.00 C ATOM 813 OE1 GLU A 128 -3.221 -2.600 12.377 1.00 0.00 O ATOM 814 OE2 GLU A 128 -1.744 -3.850 11.334 1.00 0.00 O ATOM 0 H GLU A 128 -1.524 0.600 8.660 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.520 -1.518 8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -3.261 0.123 10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -4.117 -1.389 10.417 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -1.448 -1.969 9.731 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -1.330 -0.922 11.132 1.00 0.00 H new ATOM 821 N ALA A 129 -5.321 0.061 7.541 1.00 0.00 N ATOM 822 CA ALA A 129 -6.389 0.973 7.150 1.00 0.00 C ATOM 823 C ALA A 129 -6.704 1.960 8.269 1.00 0.00 C ATOM 824 O ALA A 129 -7.169 1.571 9.341 1.00 0.00 O ATOM 825 CB ALA A 129 -7.637 0.192 6.767 1.00 0.00 C ATOM 0 H ALA A 129 -5.434 -0.893 7.198 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.049 1.541 6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.426 0.886 6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.410 -0.469 5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.970 -0.401 7.618 1.00 0.00 H new ATOM 831 N ASP A 130 -6.446 3.239 8.014 1.00 0.00 N ATOM 832 CA ASP A 130 -6.701 4.282 9.002 1.00 0.00 C ATOM 833 C ASP A 130 -7.906 5.127 8.601 1.00 0.00 C ATOM 834 O ASP A 130 -8.100 6.230 9.112 1.00 0.00 O ATOM 835 CB ASP A 130 -5.469 5.173 9.162 1.00 0.00 C ATOM 836 CG ASP A 130 -5.296 6.133 8.000 1.00 0.00 C ATOM 837 OD1 ASP A 130 -5.599 5.739 6.855 1.00 0.00 O ATOM 838 OD2 ASP A 130 -4.857 7.278 8.237 1.00 0.00 O ATOM 0 H ASP A 130 -6.061 3.578 7.132 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.919 3.800 9.955 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -5.552 5.740 10.089 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.580 4.548 9.249 1.00 0.00 H new ATOM 843 N LYS A 131 -8.712 4.603 7.684 1.00 0.00 N ATOM 844 CA LYS A 131 -9.899 5.310 7.216 1.00 0.00 C ATOM 845 C LYS A 131 -10.607 4.519 6.121 1.00 0.00 C ATOM 846 O LYS A 131 -10.075 4.343 5.025 1.00 0.00 O ATOM 847 CB LYS A 131 -9.518 6.696 6.692 1.00 0.00 C ATOM 848 CG LYS A 131 -10.556 7.303 5.762 1.00 0.00 C ATOM 849 CD LYS A 131 -10.125 8.673 5.264 1.00 0.00 C ATOM 850 CE LYS A 131 -10.994 9.776 5.847 1.00 0.00 C ATOM 851 NZ LYS A 131 -11.323 10.817 4.834 1.00 0.00 N ATOM 0 H LYS A 131 -8.565 3.692 7.250 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.581 5.421 8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -9.365 7.366 7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -8.567 6.627 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -10.717 6.640 4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -11.509 7.388 6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -9.083 8.848 5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -10.182 8.700 4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -11.916 9.344 6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -10.478 10.238 6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -11.917 11.551 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -10.445 11.247 4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -11.838 10.381 4.043 1.00 0.00 H new ATOM 865 N SER A 132 -11.811 4.046 6.424 1.00 0.00 N ATOM 866 CA SER A 132 -12.591 3.275 5.463 1.00 0.00 C ATOM 867 C SER A 132 -12.529 3.914 4.080 1.00 0.00 C ATOM 868 O SER A 132 -12.908 5.071 3.903 1.00 0.00 O ATOM 869 CB SER A 132 -14.047 3.169 5.924 1.00 0.00 C ATOM 870 OG SER A 132 -14.560 4.439 6.287 1.00 0.00 O ATOM 0 H SER A 132 -12.267 4.183 7.326 1.00 0.00 H new ATOM 0 HA SER A 132 -12.163 2.274 5.402 1.00 0.00 H new ATOM 0 HB2 SER A 132 -14.654 2.742 5.126 1.00 0.00 H new ATOM 0 HB3 SER A 132 -14.114 2.490 6.774 1.00 0.00 H new ATOM 0 HG SER A 132 -14.237 5.115 5.655 1.00 0.00 H new ATOM 876 N GLY A 133 -12.046 3.154 3.103 1.00 0.00 N ATOM 877 CA GLY A 133 -11.940 3.667 1.750 1.00 0.00 C ATOM 878 C GLY A 133 -12.030 2.574 0.704 1.00 0.00 C ATOM 879 O GLY A 133 -12.335 1.424 1.021 1.00 0.00 O ATOM 0 H GLY A 133 -11.726 2.193 3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.733 4.395 1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.993 4.195 1.638 1.00 0.00 H new ATOM 883 N THR A 134 -11.768 2.935 -0.548 1.00 0.00 N ATOM 884 CA THR A 134 -11.825 1.980 -1.649 1.00 0.00 C ATOM 885 C THR A 134 -10.688 2.209 -2.638 1.00 0.00 C ATOM 886 O THR A 134 -10.701 3.181 -3.393 1.00 0.00 O ATOM 887 CB THR A 134 -13.161 2.098 -2.375 1.00 0.00 C ATOM 888 OG1 THR A 134 -14.240 2.059 -1.458 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.383 1.004 -3.396 1.00 0.00 C ATOM 0 H THR A 134 -11.514 3.883 -0.826 1.00 0.00 H new ATOM 0 HA THR A 134 -11.722 0.979 -1.229 1.00 0.00 H new ATOM 0 HB THR A 134 -13.123 3.056 -2.894 1.00 0.00 H new ATOM 0 HG1 THR A 134 -15.087 2.138 -1.945 1.00 0.00 H new ATOM 0 HG21 THR A 134 -14.351 1.146 -3.877 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.595 1.043 -4.148 1.00 0.00 H new ATOM 0 HG23 THR A 134 -13.363 0.034 -2.900 1.00 0.00 H new ATOM 897 N VAL A 135 -9.712 1.308 -2.641 1.00 0.00 N ATOM 898 CA VAL A 135 -8.582 1.424 -3.555 1.00 0.00 C ATOM 899 C VAL A 135 -9.058 1.851 -4.938 1.00 0.00 C ATOM 900 O VAL A 135 -10.124 1.433 -5.389 1.00 0.00 O ATOM 901 CB VAL A 135 -7.809 0.100 -3.675 1.00 0.00 C ATOM 902 CG1 VAL A 135 -6.658 0.245 -4.657 1.00 0.00 C ATOM 903 CG2 VAL A 135 -7.304 -0.348 -2.312 1.00 0.00 C ATOM 0 H VAL A 135 -9.680 0.495 -2.026 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.913 2.180 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.487 -0.665 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.121 -0.701 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -7.048 0.518 -5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -5.978 1.022 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.759 -1.286 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.640 0.413 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -8.150 -0.492 -1.640 1.00 0.00 H new ATOM 913 N LYS A 136 -8.273 2.690 -5.605 1.00 0.00 N ATOM 914 CA LYS A 136 -8.638 3.170 -6.929 1.00 0.00 C ATOM 915 C LYS A 136 -7.538 2.889 -7.947 1.00 0.00 C ATOM 916 O LYS A 136 -7.782 2.901 -9.153 1.00 0.00 O ATOM 917 CB LYS A 136 -8.931 4.667 -6.875 1.00 0.00 C ATOM 918 CG LYS A 136 -10.149 5.010 -6.036 1.00 0.00 C ATOM 919 CD LYS A 136 -10.299 6.511 -5.856 1.00 0.00 C ATOM 920 CE LYS A 136 -10.321 7.234 -7.193 1.00 0.00 C ATOM 921 NZ LYS A 136 -11.205 8.432 -7.163 1.00 0.00 N ATOM 0 H LYS A 136 -7.386 3.049 -5.252 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.533 2.635 -7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -8.062 5.186 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -9.081 5.038 -7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -11.044 4.609 -6.512 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -10.065 4.532 -5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.219 6.723 -5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -9.476 6.890 -5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -9.308 7.537 -7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -10.663 6.550 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -11.192 8.896 -8.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -12.177 8.141 -6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -10.864 9.097 -6.440 1.00 0.00 H new ATOM 935 N ALA A 137 -6.327 2.641 -7.460 1.00 0.00 N ATOM 936 CA ALA A 137 -5.206 2.362 -8.344 1.00 0.00 C ATOM 937 C ALA A 137 -3.881 2.372 -7.591 1.00 0.00 C ATOM 938 O ALA A 137 -3.751 3.012 -6.547 1.00 0.00 O ATOM 939 CB ALA A 137 -5.180 3.381 -9.471 1.00 0.00 C ATOM 0 H ALA A 137 -6.099 2.628 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 137 -5.339 1.363 -8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.340 3.171 -10.132 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -6.110 3.322 -10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -5.072 4.382 -9.054 1.00 0.00 H new ATOM 945 N ILE A 138 -2.897 1.662 -8.134 1.00 0.00 N ATOM 946 CA ILE A 138 -1.577 1.587 -7.523 1.00 0.00 C ATOM 947 C ILE A 138 -0.548 2.319 -8.377 1.00 0.00 C ATOM 948 O ILE A 138 0.230 1.697 -9.100 1.00 0.00 O ATOM 949 CB ILE A 138 -1.123 0.126 -7.331 1.00 0.00 C ATOM 950 CG1 ILE A 138 -2.321 -0.824 -7.398 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.392 -0.029 -6.008 1.00 0.00 C ATOM 952 CD1 ILE A 138 -3.258 -0.699 -6.216 1.00 0.00 C ATOM 0 H ILE A 138 -2.991 1.129 -8.999 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.649 2.063 -6.545 1.00 0.00 H new ATOM 0 HB ILE A 138 -0.438 -0.132 -8.138 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -2.878 -0.630 -8.315 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.958 -1.850 -7.457 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.077 -1.065 -5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.484 0.620 -5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -1.057 0.247 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -4.084 -1.401 -6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.716 -0.922 -5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.650 0.317 -6.168 1.00 0.00 H new ATOM 964 N LEU A 139 -0.553 3.646 -8.291 1.00 0.00 N ATOM 965 CA LEU A 139 0.375 4.466 -9.059 1.00 0.00 C ATOM 966 C LEU A 139 1.793 3.913 -8.971 1.00 0.00 C ATOM 967 O LEU A 139 2.616 4.145 -9.857 1.00 0.00 O ATOM 968 CB LEU A 139 0.348 5.910 -8.554 1.00 0.00 C ATOM 969 CG LEU A 139 -1.020 6.591 -8.610 1.00 0.00 C ATOM 970 CD1 LEU A 139 -1.124 7.669 -7.544 1.00 0.00 C ATOM 971 CD2 LEU A 139 -1.265 7.180 -9.991 1.00 0.00 C ATOM 0 H LEU A 139 -1.190 4.176 -7.696 1.00 0.00 H new ATOM 0 HA LEU A 139 0.061 4.445 -10.102 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.702 5.925 -7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.053 6.497 -9.142 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.786 5.841 -8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.104 8.142 -7.600 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.993 7.221 -6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.350 8.418 -7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.243 7.661 -10.013 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -0.493 7.917 -10.214 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.234 6.385 -10.736 1.00 0.00 H new ATOM 983 N VAL A 140 2.070 3.183 -7.898 1.00 0.00 N ATOM 984 CA VAL A 140 3.388 2.598 -7.692 1.00 0.00 C ATOM 985 C VAL A 140 3.380 1.104 -7.984 1.00 0.00 C ATOM 986 O VAL A 140 2.405 0.409 -7.696 1.00 0.00 O ATOM 987 CB VAL A 140 3.876 2.817 -6.247 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.099 1.958 -5.957 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.181 4.287 -6.003 1.00 0.00 C ATOM 0 H VAL A 140 1.399 2.982 -7.157 1.00 0.00 H new ATOM 0 HA VAL A 140 4.066 3.098 -8.383 1.00 0.00 H new ATOM 0 HB VAL A 140 3.080 2.516 -5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.428 2.127 -4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 140 4.844 0.906 -6.087 1.00 0.00 H new ATOM 0 HG13 VAL A 140 5.902 2.224 -6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.524 4.422 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.959 4.617 -6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.279 4.877 -6.164 1.00 0.00 H new ATOM 999 N GLU A 141 4.479 0.611 -8.544 1.00 0.00 N ATOM 1000 CA GLU A 141 4.600 -0.804 -8.857 1.00 0.00 C ATOM 1001 C GLU A 141 4.524 -1.630 -7.580 1.00 0.00 C ATOM 1002 O GLU A 141 5.109 -1.261 -6.562 1.00 0.00 O ATOM 1003 CB GLU A 141 5.915 -1.082 -9.586 1.00 0.00 C ATOM 1004 CG GLU A 141 5.772 -1.145 -11.097 1.00 0.00 C ATOM 1005 CD GLU A 141 7.100 -1.010 -11.814 1.00 0.00 C ATOM 1006 OE1 GLU A 141 7.844 -0.053 -11.512 1.00 0.00 O ATOM 1007 OE2 GLU A 141 7.397 -1.861 -12.679 1.00 0.00 O ATOM 0 H GLU A 141 5.296 1.170 -8.789 1.00 0.00 H new ATOM 0 HA GLU A 141 3.775 -1.086 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.634 -0.304 -9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 141 6.326 -2.026 -9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 141 5.308 -2.091 -11.375 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.102 -0.352 -11.428 1.00 0.00 H new ATOM 1014 N SER A 142 3.792 -2.736 -7.637 1.00 0.00 N ATOM 1015 CA SER A 142 3.625 -3.609 -6.480 1.00 0.00 C ATOM 1016 C SER A 142 4.858 -3.596 -5.584 1.00 0.00 C ATOM 1017 O SER A 142 4.781 -3.201 -4.424 1.00 0.00 O ATOM 1018 CB SER A 142 3.336 -5.039 -6.925 1.00 0.00 C ATOM 1019 OG SER A 142 3.506 -5.185 -8.325 1.00 0.00 O ATOM 0 H SER A 142 3.303 -3.051 -8.475 1.00 0.00 H new ATOM 0 HA SER A 142 2.779 -3.228 -5.907 1.00 0.00 H new ATOM 0 HB2 SER A 142 4.000 -5.727 -6.402 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.317 -5.309 -6.650 1.00 0.00 H new ATOM 0 HG SER A 142 3.316 -6.111 -8.583 1.00 0.00 H new ATOM 1025 N GLY A 143 5.989 -4.036 -6.123 1.00 0.00 N ATOM 1026 CA GLY A 143 7.209 -4.071 -5.344 1.00 0.00 C ATOM 1027 C GLY A 143 8.351 -3.335 -6.003 1.00 0.00 C ATOM 1028 O GLY A 143 8.960 -3.833 -6.950 1.00 0.00 O ATOM 0 H GLY A 143 6.082 -4.368 -7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.020 -3.634 -4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.499 -5.109 -5.180 1.00 0.00 H new ATOM 1032 N GLN A 144 8.649 -2.147 -5.493 1.00 0.00 N ATOM 1033 CA GLN A 144 9.735 -1.340 -6.031 1.00 0.00 C ATOM 1034 C GLN A 144 10.072 -0.179 -5.099 1.00 0.00 C ATOM 1035 O GLN A 144 9.238 0.259 -4.307 1.00 0.00 O ATOM 1036 CB GLN A 144 9.368 -0.809 -7.418 1.00 0.00 C ATOM 1037 CG GLN A 144 8.563 0.481 -7.383 1.00 0.00 C ATOM 1038 CD GLN A 144 9.311 1.653 -7.990 1.00 0.00 C ATOM 1039 OE1 GLN A 144 10.430 1.502 -8.481 1.00 0.00 O ATOM 1040 NE2 GLN A 144 8.696 2.830 -7.957 1.00 0.00 N ATOM 0 H GLN A 144 8.154 -1.722 -4.709 1.00 0.00 H new ATOM 0 HA GLN A 144 10.615 -1.977 -6.116 1.00 0.00 H new ATOM 0 HB2 GLN A 144 10.282 -0.641 -7.987 1.00 0.00 H new ATOM 0 HB3 GLN A 144 8.796 -1.570 -7.950 1.00 0.00 H new ATOM 0 HG2 GLN A 144 7.626 0.335 -7.921 1.00 0.00 H new ATOM 0 HG3 GLN A 144 8.304 0.715 -6.350 1.00 0.00 H new ATOM 0 HE21 GLN A 144 7.768 2.909 -7.540 1.00 0.00 H new ATOM 0 HE22 GLN A 144 9.151 3.654 -8.349 1.00 0.00 H new ATOM 1049 N PRO A 145 11.308 0.333 -5.189 1.00 0.00 N ATOM 1050 CA PRO A 145 11.769 1.449 -4.355 1.00 0.00 C ATOM 1051 C PRO A 145 11.032 2.748 -4.666 1.00 0.00 C ATOM 1052 O PRO A 145 10.789 3.073 -5.827 1.00 0.00 O ATOM 1053 CB PRO A 145 13.253 1.577 -4.712 1.00 0.00 C ATOM 1054 CG PRO A 145 13.375 0.965 -6.065 1.00 0.00 C ATOM 1055 CD PRO A 145 12.354 -0.138 -6.112 1.00 0.00 C ATOM 0 HA PRO A 145 11.588 1.265 -3.296 1.00 0.00 H new ATOM 0 HB2 PRO A 145 13.569 2.620 -4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.880 1.060 -3.986 1.00 0.00 H new ATOM 0 HG2 PRO A 145 13.189 1.703 -6.846 1.00 0.00 H new ATOM 0 HG3 PRO A 145 14.380 0.575 -6.228 1.00 0.00 H new ATOM 0 HD2 PRO A 145 11.966 -0.285 -7.120 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.775 -1.091 -5.791 1.00 0.00 H new ATOM 1063 N VAL A 146 10.682 3.487 -3.618 1.00 0.00 N ATOM 1064 CA VAL A 146 9.976 4.752 -3.776 1.00 0.00 C ATOM 1065 C VAL A 146 10.623 5.850 -2.938 1.00 0.00 C ATOM 1066 O VAL A 146 11.667 5.638 -2.322 1.00 0.00 O ATOM 1067 CB VAL A 146 8.495 4.623 -3.375 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.680 4.042 -4.520 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.353 3.769 -2.124 1.00 0.00 C ATOM 0 H VAL A 146 10.876 3.231 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 146 10.037 5.019 -4.831 1.00 0.00 H new ATOM 0 HB VAL A 146 8.110 5.618 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.636 3.958 -4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.755 4.696 -5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 146 8.064 3.054 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.300 3.689 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.755 2.774 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.902 4.231 -1.304 1.00 0.00 H new ATOM 1079 N GLU A 147 9.998 7.021 -2.921 1.00 0.00 N ATOM 1080 CA GLU A 147 10.516 8.151 -2.158 1.00 0.00 C ATOM 1081 C GLU A 147 9.377 8.996 -1.594 1.00 0.00 C ATOM 1082 O GLU A 147 8.339 9.162 -2.234 1.00 0.00 O ATOM 1083 CB GLU A 147 11.419 9.017 -3.037 1.00 0.00 C ATOM 1084 CG GLU A 147 12.839 8.489 -3.157 1.00 0.00 C ATOM 1085 CD GLU A 147 13.822 9.557 -3.597 1.00 0.00 C ATOM 1086 OE1 GLU A 147 13.586 10.182 -4.652 1.00 0.00 O ATOM 1087 OE2 GLU A 147 14.827 9.767 -2.886 1.00 0.00 O ATOM 0 H GLU A 147 9.133 7.213 -3.426 1.00 0.00 H new ATOM 0 HA GLU A 147 11.099 7.757 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 147 10.982 9.089 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.449 10.027 -2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 147 13.155 8.084 -2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 147 12.858 7.666 -3.872 1.00 0.00 H new ATOM 1094 N PHE A 148 9.582 9.525 -0.391 1.00 0.00 N ATOM 1095 CA PHE A 148 8.575 10.355 0.264 1.00 0.00 C ATOM 1096 C PHE A 148 7.804 11.186 -0.758 1.00 0.00 C ATOM 1097 O PHE A 148 8.393 11.777 -1.663 1.00 0.00 O ATOM 1098 CB PHE A 148 9.236 11.272 1.293 1.00 0.00 C ATOM 1099 CG PHE A 148 8.269 12.180 1.998 1.00 0.00 C ATOM 1100 CD1 PHE A 148 7.868 13.377 1.414 1.00 0.00 C ATOM 1101 CD2 PHE A 148 7.760 11.841 3.246 1.00 0.00 C ATOM 1102 CE1 PHE A 148 6.976 14.218 2.062 1.00 0.00 C ATOM 1103 CE2 PHE A 148 6.868 12.677 3.899 1.00 0.00 C ATOM 1104 CZ PHE A 148 6.475 13.867 3.306 1.00 0.00 C ATOM 0 H PHE A 148 10.436 9.394 0.150 1.00 0.00 H new ATOM 0 HA PHE A 148 7.870 9.697 0.772 1.00 0.00 H new ATOM 0 HB2 PHE A 148 9.753 10.661 2.033 1.00 0.00 H new ATOM 0 HB3 PHE A 148 9.993 11.878 0.795 1.00 0.00 H new ATOM 0 HD1 PHE A 148 8.256 13.655 0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 148 8.063 10.915 3.712 1.00 0.00 H new ATOM 0 HE1 PHE A 148 6.672 15.145 1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 148 6.480 12.402 4.868 1.00 0.00 H new ATOM 0 HZ PHE A 148 5.779 14.520 3.813 1.00 0.00 H new ATOM 1114 N ASP A 149 6.483 11.223 -0.611 1.00 0.00 N ATOM 1115 CA ASP A 149 5.634 11.979 -1.525 1.00 0.00 C ATOM 1116 C ASP A 149 5.472 11.239 -2.846 1.00 0.00 C ATOM 1117 O ASP A 149 5.189 11.845 -3.880 1.00 0.00 O ATOM 1118 CB ASP A 149 6.222 13.368 -1.773 1.00 0.00 C ATOM 1119 CG ASP A 149 5.182 14.465 -1.668 1.00 0.00 C ATOM 1120 OD1 ASP A 149 4.408 14.458 -0.687 1.00 0.00 O ATOM 1121 OD2 ASP A 149 5.139 15.332 -2.567 1.00 0.00 O ATOM 0 H ASP A 149 5.978 10.739 0.131 1.00 0.00 H new ATOM 0 HA ASP A 149 4.652 12.088 -1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 149 7.018 13.556 -1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.676 13.395 -2.764 1.00 0.00 H new ATOM 1126 N GLU A 150 5.654 9.924 -2.804 1.00 0.00 N ATOM 1127 CA GLU A 150 5.529 9.096 -3.996 1.00 0.00 C ATOM 1128 C GLU A 150 4.282 8.221 -3.919 1.00 0.00 C ATOM 1129 O GLU A 150 4.373 7.014 -3.698 1.00 0.00 O ATOM 1130 CB GLU A 150 6.771 8.221 -4.168 1.00 0.00 C ATOM 1131 CG GLU A 150 6.686 7.272 -5.353 1.00 0.00 C ATOM 1132 CD GLU A 150 6.781 7.992 -6.683 1.00 0.00 C ATOM 1133 OE1 GLU A 150 6.232 9.108 -6.795 1.00 0.00 O ATOM 1134 OE2 GLU A 150 7.404 7.440 -7.615 1.00 0.00 O ATOM 0 H GLU A 150 5.889 9.409 -1.956 1.00 0.00 H new ATOM 0 HA GLU A 150 5.437 9.755 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.644 8.863 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.925 7.641 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 150 7.488 6.537 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 150 5.746 6.723 -5.307 1.00 0.00 H new ATOM 1141 N PRO A 151 3.099 8.823 -4.109 1.00 0.00 N ATOM 1142 CA PRO A 151 1.831 8.106 -4.070 1.00 0.00 C ATOM 1143 C PRO A 151 1.961 6.681 -4.596 1.00 0.00 C ATOM 1144 O PRO A 151 2.529 6.455 -5.665 1.00 0.00 O ATOM 1145 CB PRO A 151 0.954 8.953 -4.985 1.00 0.00 C ATOM 1146 CG PRO A 151 1.448 10.352 -4.790 1.00 0.00 C ATOM 1147 CD PRO A 151 2.904 10.255 -4.388 1.00 0.00 C ATOM 0 HA PRO A 151 1.436 7.989 -3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.048 8.641 -6.025 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -0.099 8.864 -4.719 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.339 10.931 -5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 151 0.869 10.862 -4.020 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.562 10.600 -5.185 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.118 10.866 -3.511 1.00 0.00 H new ATOM 1155 N LEU A 152 1.447 5.722 -3.833 1.00 0.00 N ATOM 1156 CA LEU A 152 1.524 4.318 -4.221 1.00 0.00 C ATOM 1157 C LEU A 152 0.138 3.688 -4.324 1.00 0.00 C ATOM 1158 O LEU A 152 -0.345 3.399 -5.420 1.00 0.00 O ATOM 1159 CB LEU A 152 2.371 3.533 -3.212 1.00 0.00 C ATOM 1160 CG LEU A 152 3.394 4.360 -2.429 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.290 4.064 -0.941 1.00 0.00 C ATOM 1162 CD2 LEU A 152 4.802 4.080 -2.932 1.00 0.00 C ATOM 0 H LEU A 152 0.974 5.890 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 152 1.993 4.275 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.702 3.047 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 152 2.899 2.742 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 152 3.177 5.417 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.024 4.660 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.289 4.314 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.482 3.005 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.516 4.676 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.030 3.022 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 152 4.870 4.341 -3.988 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.488 3.466 -3.174 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.808 2.859 -3.125 1.00 0.00 C ATOM 1176 C VAL A 153 -2.900 3.914 -3.018 1.00 0.00 C ATOM 1177 O VAL A 153 -3.139 4.479 -1.951 1.00 0.00 O ATOM 1178 CB VAL A 153 -1.921 1.880 -1.939 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.232 2.450 -0.710 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.378 1.551 -1.641 1.00 0.00 C ATOM 0 H VAL A 153 -0.099 3.699 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.944 2.309 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.419 0.952 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.322 1.746 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.178 2.619 -0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.702 3.394 -0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.430 0.859 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -3.914 2.467 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -3.834 1.092 -2.518 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.563 4.169 -4.137 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.640 5.149 -4.187 1.00 0.00 C ATOM 1192 C VAL A 154 -5.957 4.538 -3.723 1.00 0.00 C ATOM 1193 O VAL A 154 -6.278 3.399 -4.065 1.00 0.00 O ATOM 1194 CB VAL A 154 -4.824 5.713 -5.607 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.699 6.956 -5.579 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.474 6.017 -6.241 1.00 0.00 C ATOM 0 H VAL A 154 -3.373 3.708 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.359 5.961 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.323 4.959 -6.215 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.818 7.340 -6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.677 6.703 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.230 7.717 -4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.625 6.415 -7.245 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -2.945 6.752 -5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -2.885 5.102 -6.298 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.716 5.299 -2.941 1.00 0.00 N ATOM 1207 CA ILE A 155 -7.996 4.829 -2.428 1.00 0.00 C ATOM 1208 C ILE A 155 -9.066 5.912 -2.528 1.00 0.00 C ATOM 1209 O ILE A 155 -8.785 7.096 -2.334 1.00 0.00 O ATOM 1210 CB ILE A 155 -7.871 4.373 -0.961 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -6.949 3.157 -0.860 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.240 4.055 -0.381 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -6.184 3.087 0.443 1.00 0.00 C ATOM 0 H ILE A 155 -6.466 6.244 -2.649 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.294 3.980 -3.044 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.436 5.187 -0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -7.543 2.250 -0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -6.240 3.179 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -9.131 3.735 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -9.868 4.945 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.704 3.257 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -5.550 2.200 0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -5.563 3.977 0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -6.886 3.034 1.275 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.294 5.501 -2.833 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.405 6.436 -2.958 1.00 0.00 C ATOM 1227 C GLU A 156 -11.836 6.954 -1.590 1.00 0.00 C ATOM 1228 O GLU A 156 -13.048 6.894 -1.291 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.587 5.766 -3.659 1.00 0.00 C ATOM 1230 CG GLU A 156 -13.542 6.747 -4.317 1.00 0.00 C ATOM 1231 CD GLU A 156 -14.539 6.064 -5.234 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -14.203 4.994 -5.783 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -15.654 6.600 -5.403 1.00 0.00 O ATOM 1234 OXT GLU A 156 -10.961 7.415 -0.828 1.00 0.00 O ATOM 0 H GLU A 156 -10.543 4.526 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 156 -11.069 7.282 -3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -12.208 5.079 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -13.138 5.168 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -14.081 7.297 -3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -12.970 7.478 -4.888 1.00 0.00 H new