USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 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 114 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 126 GLN : amide:sc= -0.0417 K(o=-0.042,f=-1.4) USER MOD Single : A 81 HIS : no HE2:sc= -6.37! C(o=-6.4!,f=-11!) USER MOD Single : A 85 SER OG : rot -29:sc= 0.81 USER MOD Single : A 87 MET CE :methyl -167:sc= -0.894 (180deg=-1.57!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.227 USER MOD Single : A 94 THR OG1 : rot 34:sc= 0.981 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.0057) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN :FLIP amide:sc= -3.87! C(o=-5.1!,f=-3.9!) USER MOD Single : A 116 CYS SG : rot -170:sc= -0.0389 USER MOD Single : A 121 MET CE :methyl 164:sc=-0.00726 (180deg=-0.135) 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 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ -150:sc= 0.084 (180deg=-0.909!) USER MOD Single : A 132 SER OG : rot -51:sc= 0.462 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ -164:sc= 0.0507 (180deg=-0.0226) USER MOD Single : A 142 SER OG : rot 69:sc= 0.0964 USER MOD Single : A 144 GLN : amide:sc= -12.9! C(o=-13!,f=-24!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 80 -9.618 11.469 -3.176 1.00 0.00 N ATOM 67 CA GLY A 80 -9.390 10.069 -2.870 1.00 0.00 C ATOM 68 C GLY A 80 -8.579 9.878 -1.603 1.00 0.00 C ATOM 69 O GLY A 80 -8.961 10.359 -0.537 1.00 0.00 O ATOM 0 HA2 GLY A 80 -10.349 9.562 -2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.871 9.597 -3.705 1.00 0.00 H new ATOM 73 N HIS A 81 -7.457 9.176 -1.720 1.00 0.00 N ATOM 74 CA HIS A 81 -6.592 8.926 -0.576 1.00 0.00 C ATOM 75 C HIS A 81 -5.478 7.951 -0.937 1.00 0.00 C ATOM 76 O HIS A 81 -5.590 6.749 -0.696 1.00 0.00 O ATOM 77 CB HIS A 81 -7.399 8.371 0.597 1.00 0.00 C ATOM 78 CG HIS A 81 -6.548 7.952 1.756 1.00 0.00 C ATOM 79 ND1 HIS A 81 -5.714 6.852 1.723 1.00 0.00 N ATOM 80 CD2 HIS A 81 -6.398 8.497 2.987 1.00 0.00 C ATOM 81 CE1 HIS A 81 -5.089 6.741 2.881 1.00 0.00 C ATOM 82 NE2 HIS A 81 -5.486 7.726 3.665 1.00 0.00 N ATOM 0 H HIS A 81 -7.127 8.771 -2.596 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.145 9.876 -0.284 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.109 9.128 0.931 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.982 7.516 0.255 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -5.599 6.223 0.928 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -6.902 9.374 3.365 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -4.374 5.975 3.142 1.00 0.00 H new ATOM 91 N ILE A 82 -4.403 8.475 -1.511 1.00 0.00 N ATOM 92 CA ILE A 82 -3.271 7.645 -1.896 1.00 0.00 C ATOM 93 C ILE A 82 -2.241 7.585 -0.781 1.00 0.00 C ATOM 94 O ILE A 82 -1.653 8.600 -0.403 1.00 0.00 O ATOM 95 CB ILE A 82 -2.604 8.159 -3.181 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.665 8.423 -4.243 1.00 0.00 C ATOM 97 CG2 ILE A 82 -1.584 7.150 -3.687 1.00 0.00 C ATOM 98 CD1 ILE A 82 -3.118 9.061 -5.501 1.00 0.00 C ATOM 0 H ILE A 82 -4.292 9.467 -1.719 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.658 6.643 -2.084 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.084 9.092 -2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.148 7.481 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.435 9.070 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.120 7.528 -4.598 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.818 6.994 -2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.082 6.204 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.930 9.219 -6.211 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.660 10.019 -5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.369 8.405 -5.946 1.00 0.00 H new ATOM 110 N VAL A 83 -2.035 6.389 -0.255 1.00 0.00 N ATOM 111 CA VAL A 83 -1.079 6.183 0.828 1.00 0.00 C ATOM 112 C VAL A 83 0.353 6.355 0.340 1.00 0.00 C ATOM 113 O VAL A 83 1.165 5.434 0.429 1.00 0.00 O ATOM 114 CB VAL A 83 -1.234 4.786 1.459 1.00 0.00 C ATOM 115 CG1 VAL A 83 -0.716 4.787 2.888 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.685 4.336 1.409 1.00 0.00 C ATOM 0 H VAL A 83 -2.516 5.543 -0.559 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.293 6.938 1.584 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.639 4.078 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.833 3.792 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.339 5.062 2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.281 5.507 3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.775 3.347 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.305 5.043 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.017 4.294 0.372 1.00 0.00 H new ATOM 126 N ARG A 84 0.659 7.543 -0.172 1.00 0.00 N ATOM 127 CA ARG A 84 1.996 7.838 -0.671 1.00 0.00 C ATOM 128 C ARG A 84 3.056 7.396 0.332 1.00 0.00 C ATOM 129 O ARG A 84 2.930 7.640 1.532 1.00 0.00 O ATOM 130 CB ARG A 84 2.140 9.333 -0.959 1.00 0.00 C ATOM 131 CG ARG A 84 1.301 10.214 -0.046 1.00 0.00 C ATOM 132 CD ARG A 84 1.672 11.681 -0.191 1.00 0.00 C ATOM 133 NE ARG A 84 1.899 12.320 1.103 1.00 0.00 N ATOM 134 CZ ARG A 84 2.143 13.617 1.252 1.00 0.00 C ATOM 135 NH1 ARG A 84 2.198 14.411 0.191 1.00 0.00 N ATOM 136 NH2 ARG A 84 2.333 14.123 2.463 1.00 0.00 N ATOM 0 H ARG A 84 -0.001 8.316 -0.252 1.00 0.00 H new ATOM 0 HA ARG A 84 2.142 7.284 -1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.188 9.614 -0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.857 9.524 -1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.245 10.080 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.440 9.903 0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.571 11.769 -0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.876 12.206 -0.719 1.00 0.00 H new ATOM 0 HE ARG A 84 1.868 11.737 1.939 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.053 14.026 -0.742 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.386 15.407 0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.292 13.516 3.282 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.520 15.119 2.576 1.00 0.00 H new ATOM 150 N SER A 85 4.100 6.744 -0.168 1.00 0.00 N ATOM 151 CA SER A 85 5.182 6.268 0.684 1.00 0.00 C ATOM 152 C SER A 85 5.508 7.284 1.771 1.00 0.00 C ATOM 153 O SER A 85 6.140 8.308 1.510 1.00 0.00 O ATOM 154 CB SER A 85 6.430 5.983 -0.153 1.00 0.00 C ATOM 155 OG SER A 85 7.308 7.095 -0.153 1.00 0.00 O ATOM 0 H SER A 85 4.219 6.533 -1.159 1.00 0.00 H new ATOM 0 HA SER A 85 4.853 5.345 1.162 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.946 5.108 0.243 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.139 5.745 -1.176 1.00 0.00 H new ATOM 0 HG SER A 85 6.791 7.920 -0.043 1.00 0.00 H new ATOM 161 N PRO A 86 5.083 7.008 3.012 1.00 0.00 N ATOM 162 CA PRO A 86 5.334 7.898 4.151 1.00 0.00 C ATOM 163 C PRO A 86 6.816 7.985 4.492 1.00 0.00 C ATOM 164 O PRO A 86 7.227 8.784 5.333 1.00 0.00 O ATOM 165 CB PRO A 86 4.560 7.241 5.298 1.00 0.00 C ATOM 166 CG PRO A 86 4.429 5.810 4.901 1.00 0.00 C ATOM 167 CD PRO A 86 4.331 5.805 3.402 1.00 0.00 C ATOM 0 HA PRO A 86 5.023 8.922 3.945 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.093 7.342 6.243 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.583 7.705 5.432 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.289 5.231 5.238 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.545 5.359 5.352 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.765 4.902 2.973 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.295 5.851 3.066 1.00 0.00 H new ATOM 175 N MET A 87 7.615 7.154 3.830 1.00 0.00 N ATOM 176 CA MET A 87 9.055 7.130 4.057 1.00 0.00 C ATOM 177 C MET A 87 9.783 6.582 2.834 1.00 0.00 C ATOM 178 O MET A 87 9.162 6.035 1.923 1.00 0.00 O ATOM 179 CB MET A 87 9.382 6.279 5.285 1.00 0.00 C ATOM 180 CG MET A 87 9.367 4.784 5.010 1.00 0.00 C ATOM 181 SD MET A 87 9.235 3.802 6.515 1.00 0.00 S ATOM 182 CE MET A 87 9.874 4.955 7.728 1.00 0.00 C ATOM 0 H MET A 87 7.288 6.487 3.131 1.00 0.00 H new ATOM 0 HA MET A 87 9.392 8.152 4.233 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.365 6.561 5.661 1.00 0.00 H new ATOM 0 HB3 MET A 87 8.663 6.502 6.073 1.00 0.00 H new ATOM 0 HG2 MET A 87 8.530 4.548 4.352 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.278 4.507 4.479 1.00 0.00 H new ATOM 0 HE1 MET A 87 10.074 4.428 8.661 1.00 0.00 H new ATOM 0 HE2 MET A 87 10.798 5.399 7.357 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.140 5.741 7.905 1.00 0.00 H new ATOM 192 N VAL A 88 11.103 6.732 2.820 1.00 0.00 N ATOM 193 CA VAL A 88 11.914 6.252 1.707 1.00 0.00 C ATOM 194 C VAL A 88 11.997 4.728 1.704 1.00 0.00 C ATOM 195 O VAL A 88 13.082 4.155 1.800 1.00 0.00 O ATOM 196 CB VAL A 88 13.339 6.830 1.759 1.00 0.00 C ATOM 197 CG1 VAL A 88 13.336 8.298 1.361 1.00 0.00 C ATOM 198 CG2 VAL A 88 13.939 6.648 3.145 1.00 0.00 C ATOM 0 H VAL A 88 11.634 7.182 3.566 1.00 0.00 H new ATOM 0 HA VAL A 88 11.426 6.590 0.793 1.00 0.00 H new ATOM 0 HB VAL A 88 13.958 6.285 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.353 8.689 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.951 8.399 0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.702 8.860 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.947 7.063 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.321 7.165 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.979 5.586 3.387 1.00 0.00 H new ATOM 208 N GLY A 89 10.843 4.076 1.592 1.00 0.00 N ATOM 209 CA GLY A 89 10.808 2.624 1.578 1.00 0.00 C ATOM 210 C GLY A 89 10.277 2.070 0.270 1.00 0.00 C ATOM 211 O GLY A 89 10.180 2.792 -0.721 1.00 0.00 O ATOM 0 H GLY A 89 9.932 4.527 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.812 2.238 1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.184 2.271 2.399 1.00 0.00 H new ATOM 215 N THR A 90 9.933 0.785 0.267 1.00 0.00 N ATOM 216 CA THR A 90 9.409 0.140 -0.930 1.00 0.00 C ATOM 217 C THR A 90 7.924 -0.167 -0.780 1.00 0.00 C ATOM 218 O THR A 90 7.409 -0.279 0.333 1.00 0.00 O ATOM 219 CB THR A 90 10.176 -1.151 -1.226 1.00 0.00 C ATOM 220 OG1 THR A 90 11.505 -0.865 -1.624 1.00 0.00 O ATOM 221 CG2 THR A 90 9.540 -1.992 -2.315 1.00 0.00 C ATOM 0 H THR A 90 10.008 0.172 1.079 1.00 0.00 H new ATOM 0 HA THR A 90 9.540 0.831 -1.763 1.00 0.00 H new ATOM 0 HB THR A 90 10.156 -1.718 -0.295 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.979 -1.703 -1.807 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.135 -2.892 -2.474 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.530 -2.273 -2.015 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.497 -1.417 -3.240 1.00 0.00 H new ATOM 229 N PHE A 91 7.245 -0.300 -1.911 1.00 0.00 N ATOM 230 CA PHE A 91 5.819 -0.594 -1.924 1.00 0.00 C ATOM 231 C PHE A 91 5.582 -2.036 -2.349 1.00 0.00 C ATOM 232 O PHE A 91 6.262 -2.538 -3.242 1.00 0.00 O ATOM 233 CB PHE A 91 5.104 0.362 -2.883 1.00 0.00 C ATOM 234 CG PHE A 91 3.719 -0.072 -3.280 1.00 0.00 C ATOM 235 CD1 PHE A 91 3.519 -0.943 -4.352 1.00 0.00 C ATOM 236 CD2 PHE A 91 2.605 0.408 -2.592 1.00 0.00 C ATOM 237 CE1 PHE A 91 2.240 -1.324 -4.722 1.00 0.00 C ATOM 238 CE2 PHE A 91 1.327 0.029 -2.963 1.00 0.00 C ATOM 239 CZ PHE A 91 1.146 -0.836 -4.028 1.00 0.00 C ATOM 0 H PHE A 91 7.662 -0.208 -2.837 1.00 0.00 H new ATOM 0 HA PHE A 91 5.419 -0.458 -0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.043 1.346 -2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.708 0.473 -3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.370 -1.323 -4.898 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.741 1.083 -1.760 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.096 -2.001 -5.551 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.472 0.408 -2.422 1.00 0.00 H new ATOM 0 HZ PHE A 91 0.149 -1.131 -4.319 1.00 0.00 H new ATOM 249 N TYR A 92 4.619 -2.695 -1.708 1.00 0.00 N ATOM 250 CA TYR A 92 4.294 -4.083 -2.035 1.00 0.00 C ATOM 251 C TYR A 92 2.795 -4.332 -1.936 1.00 0.00 C ATOM 252 O TYR A 92 2.095 -3.684 -1.157 1.00 0.00 O ATOM 253 CB TYR A 92 5.038 -5.051 -1.116 1.00 0.00 C ATOM 254 CG TYR A 92 6.531 -5.077 -1.344 1.00 0.00 C ATOM 255 CD1 TYR A 92 7.059 -4.939 -2.626 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.413 -5.235 -0.279 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.430 -4.956 -2.839 1.00 0.00 C ATOM 258 CE2 TYR A 92 8.782 -5.254 -0.482 1.00 0.00 C ATOM 259 CZ TYR A 92 9.287 -5.115 -1.763 1.00 0.00 C ATOM 260 OH TYR A 92 10.647 -5.133 -1.968 1.00 0.00 O ATOM 0 H TYR A 92 4.052 -2.293 -0.962 1.00 0.00 H new ATOM 0 HA TYR A 92 4.612 -4.259 -3.063 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.842 -4.777 -0.079 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.639 -6.055 -1.261 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.391 -4.817 -3.466 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.023 -5.345 0.722 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.826 -4.846 -3.838 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.453 -5.377 0.355 1.00 0.00 H new ATOM 0 HH TYR A 92 11.106 -5.251 -1.110 1.00 0.00 H new ATOM 270 N ARG A 93 2.309 -5.279 -2.730 1.00 0.00 N ATOM 271 CA ARG A 93 0.893 -5.622 -2.736 1.00 0.00 C ATOM 272 C ARG A 93 0.705 -7.133 -2.653 1.00 0.00 C ATOM 273 O ARG A 93 -0.325 -7.664 -3.069 1.00 0.00 O ATOM 274 CB ARG A 93 0.220 -5.081 -3.999 1.00 0.00 C ATOM 275 CG ARG A 93 0.849 -5.588 -5.286 1.00 0.00 C ATOM 276 CD ARG A 93 0.231 -4.926 -6.507 1.00 0.00 C ATOM 277 NE ARG A 93 0.291 -5.788 -7.684 1.00 0.00 N ATOM 278 CZ ARG A 93 -0.349 -5.529 -8.819 1.00 0.00 C ATOM 279 NH1 ARG A 93 -1.099 -4.440 -8.927 1.00 0.00 N ATOM 280 NH2 ARG A 93 -0.241 -6.359 -9.848 1.00 0.00 N ATOM 0 H ARG A 93 2.877 -5.824 -3.379 1.00 0.00 H new ATOM 0 HA ARG A 93 0.428 -5.165 -1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.834 -5.357 -3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.264 -3.992 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.921 -5.394 -5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.722 -6.668 -5.353 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.808 -4.673 -6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.751 -3.991 -6.715 1.00 0.00 H new ATOM 0 HE ARG A 93 0.856 -6.636 -7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.185 -3.800 -8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.590 -4.243 -9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.334 -7.198 -9.769 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.733 -6.159 -10.719 1.00 0.00 H new ATOM 294 N THR A 94 1.706 -7.820 -2.111 1.00 0.00 N ATOM 295 CA THR A 94 1.652 -9.271 -1.973 1.00 0.00 C ATOM 296 C THR A 94 2.465 -9.733 -0.767 1.00 0.00 C ATOM 297 O THR A 94 3.695 -9.715 -0.793 1.00 0.00 O ATOM 298 CB THR A 94 2.174 -9.944 -3.242 1.00 0.00 C ATOM 299 OG1 THR A 94 3.536 -9.621 -3.458 1.00 0.00 O ATOM 300 CG2 THR A 94 1.406 -9.555 -4.487 1.00 0.00 C ATOM 0 H THR A 94 2.564 -7.395 -1.760 1.00 0.00 H new ATOM 0 HA THR A 94 0.612 -9.558 -1.819 1.00 0.00 H new ATOM 0 HB THR A 94 2.044 -11.013 -3.075 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.990 -9.524 -2.595 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.829 -10.068 -5.351 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.360 -9.839 -4.373 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.476 -8.477 -4.636 1.00 0.00 H new ATOM 308 N PRO A 95 1.780 -10.154 0.306 1.00 0.00 N ATOM 309 CA PRO A 95 2.437 -10.625 1.529 1.00 0.00 C ATOM 310 C PRO A 95 3.110 -11.981 1.337 1.00 0.00 C ATOM 311 O PRO A 95 3.945 -12.390 2.143 1.00 0.00 O ATOM 312 CB PRO A 95 1.284 -10.736 2.529 1.00 0.00 C ATOM 313 CG PRO A 95 0.076 -10.962 1.687 1.00 0.00 C ATOM 314 CD PRO A 95 0.311 -10.204 0.410 1.00 0.00 C ATOM 0 HA PRO A 95 3.234 -9.954 1.850 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.441 -11.560 3.225 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.188 -9.829 3.125 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.068 -12.024 1.489 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.823 -10.607 2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.135 -10.711 -0.446 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.123 -9.205 0.450 1.00 0.00 H new ATOM 322 N SER A 96 2.740 -12.671 0.263 1.00 0.00 N ATOM 323 CA SER A 96 3.307 -13.980 -0.037 1.00 0.00 C ATOM 324 C SER A 96 3.499 -14.159 -1.540 1.00 0.00 C ATOM 325 O SER A 96 2.876 -13.466 -2.344 1.00 0.00 O ATOM 326 CB SER A 96 2.405 -15.089 0.508 1.00 0.00 C ATOM 327 OG SER A 96 1.568 -14.604 1.544 1.00 0.00 O ATOM 0 H SER A 96 2.050 -12.345 -0.414 1.00 0.00 H new ATOM 0 HA SER A 96 4.282 -14.044 0.447 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.793 -15.493 -0.298 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.018 -15.908 0.885 1.00 0.00 H new ATOM 0 HG SER A 96 1.001 -15.332 1.874 1.00 0.00 H new ATOM 333 N PRO A 97 4.371 -15.098 -1.935 1.00 0.00 N ATOM 334 CA PRO A 97 4.654 -15.376 -3.347 1.00 0.00 C ATOM 335 C PRO A 97 3.386 -15.653 -4.149 1.00 0.00 C ATOM 336 O PRO A 97 3.045 -14.908 -5.068 1.00 0.00 O ATOM 337 CB PRO A 97 5.537 -16.626 -3.294 1.00 0.00 C ATOM 338 CG PRO A 97 6.169 -16.585 -1.945 1.00 0.00 C ATOM 339 CD PRO A 97 5.150 -15.963 -1.033 1.00 0.00 C ATOM 0 HA PRO A 97 5.124 -14.527 -3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.948 -17.533 -3.428 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.288 -16.614 -4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.436 -17.587 -1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.088 -15.999 -1.962 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.523 -16.717 -0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.621 -15.390 -0.234 1.00 0.00 H new ATOM 347 N ASP A 98 2.691 -16.728 -3.794 1.00 0.00 N ATOM 348 CA ASP A 98 1.459 -17.104 -4.481 1.00 0.00 C ATOM 349 C ASP A 98 0.249 -16.911 -3.572 1.00 0.00 C ATOM 350 O ASP A 98 -0.260 -17.867 -2.988 1.00 0.00 O ATOM 351 CB ASP A 98 1.534 -18.559 -4.946 1.00 0.00 C ATOM 352 CG ASP A 98 0.841 -18.778 -6.277 1.00 0.00 C ATOM 353 OD1 ASP A 98 1.435 -18.432 -7.319 1.00 0.00 O ATOM 354 OD2 ASP A 98 -0.296 -19.294 -6.276 1.00 0.00 O ATOM 0 H ASP A 98 2.959 -17.355 -3.035 1.00 0.00 H new ATOM 0 HA ASP A 98 1.345 -16.457 -5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 98 2.579 -18.857 -5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 98 1.079 -19.202 -4.193 1.00 0.00 H new ATOM 359 N ALA A 99 -0.208 -15.668 -3.458 1.00 0.00 N ATOM 360 CA ALA A 99 -1.358 -15.350 -2.619 1.00 0.00 C ATOM 361 C ALA A 99 -2.320 -14.410 -3.339 1.00 0.00 C ATOM 362 O ALA A 99 -2.214 -14.207 -4.548 1.00 0.00 O ATOM 363 CB ALA A 99 -0.898 -14.733 -1.307 1.00 0.00 C ATOM 0 H ALA A 99 0.200 -14.865 -3.936 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.889 -16.278 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.766 -14.500 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.256 -15.438 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.342 -13.818 -1.511 1.00 0.00 H new ATOM 369 N LYS A 100 -3.256 -13.841 -2.587 1.00 0.00 N ATOM 370 CA LYS A 100 -4.236 -12.922 -3.154 1.00 0.00 C ATOM 371 C LYS A 100 -3.807 -11.473 -2.948 1.00 0.00 C ATOM 372 O LYS A 100 -4.635 -10.601 -2.684 1.00 0.00 O ATOM 373 CB LYS A 100 -5.611 -13.153 -2.524 1.00 0.00 C ATOM 374 CG LYS A 100 -6.117 -14.578 -2.673 1.00 0.00 C ATOM 375 CD LYS A 100 -6.347 -15.233 -1.321 1.00 0.00 C ATOM 376 CE LYS A 100 -7.807 -15.157 -0.906 1.00 0.00 C ATOM 377 NZ LYS A 100 -7.967 -14.633 0.479 1.00 0.00 N ATOM 0 H LYS A 100 -3.357 -14.000 -1.584 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.299 -13.115 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.562 -12.903 -1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.329 -12.472 -2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.047 -14.577 -3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.396 -15.163 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.034 -16.276 -1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.728 -14.744 -0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.349 -14.515 -1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.255 -16.149 -0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.978 -14.597 0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.472 -15.259 1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.563 -13.676 0.537 1.00 0.00 H new ATOM 391 N ALA A 101 -2.507 -11.222 -3.072 1.00 0.00 N ATOM 392 CA ALA A 101 -1.967 -9.879 -2.900 1.00 0.00 C ATOM 393 C ALA A 101 -2.476 -9.240 -1.614 1.00 0.00 C ATOM 394 O ALA A 101 -3.208 -9.863 -0.845 1.00 0.00 O ATOM 395 CB ALA A 101 -2.329 -9.007 -4.094 1.00 0.00 C ATOM 0 H ALA A 101 -1.808 -11.932 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.882 -9.961 -2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.919 -8.007 -3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.914 -9.443 -5.002 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.414 -8.945 -4.184 1.00 0.00 H new ATOM 401 N PHE A 102 -2.087 -7.991 -1.394 1.00 0.00 N ATOM 402 CA PHE A 102 -2.506 -7.255 -0.210 1.00 0.00 C ATOM 403 C PHE A 102 -3.803 -6.506 -0.490 1.00 0.00 C ATOM 404 O PHE A 102 -4.828 -6.755 0.144 1.00 0.00 O ATOM 405 CB PHE A 102 -1.413 -6.269 0.212 1.00 0.00 C ATOM 406 CG PHE A 102 -1.113 -6.288 1.685 1.00 0.00 C ATOM 407 CD1 PHE A 102 -2.127 -6.507 2.611 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.184 -6.086 2.146 1.00 0.00 C ATOM 409 CE1 PHE A 102 -1.853 -6.522 3.970 1.00 0.00 C ATOM 410 CE2 PHE A 102 0.463 -6.099 3.503 1.00 0.00 C ATOM 411 CZ PHE A 102 -0.556 -6.318 4.416 1.00 0.00 C ATOM 0 H PHE A 102 -1.480 -7.465 -2.023 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.675 -7.963 0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.500 -6.496 -0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.715 -5.262 -0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.138 -6.667 2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.982 -5.917 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.649 -6.692 4.680 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.474 -5.939 3.849 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.340 -6.330 5.474 1.00 0.00 H new ATOM 421 N ILE A 103 -3.745 -5.593 -1.454 1.00 0.00 N ATOM 422 CA ILE A 103 -4.908 -4.802 -1.841 1.00 0.00 C ATOM 423 C ILE A 103 -4.794 -4.351 -3.292 1.00 0.00 C ATOM 424 O ILE A 103 -3.700 -4.062 -3.778 1.00 0.00 O ATOM 425 CB ILE A 103 -5.082 -3.554 -0.950 1.00 0.00 C ATOM 426 CG1 ILE A 103 -4.667 -3.845 0.491 1.00 0.00 C ATOM 427 CG2 ILE A 103 -6.522 -3.069 -0.999 1.00 0.00 C ATOM 428 CD1 ILE A 103 -5.701 -4.624 1.268 1.00 0.00 C ATOM 0 H ILE A 103 -2.900 -5.382 -1.984 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.778 -5.446 -1.715 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.432 -2.768 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.731 -4.403 0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -4.473 -2.902 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -6.631 -2.188 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.785 -2.813 -2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -7.184 -3.857 -0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -5.341 -4.795 2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -6.632 -4.058 1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -5.878 -5.582 0.779 1.00 0.00 H new ATOM 440 N GLU A 104 -5.928 -4.288 -3.982 1.00 0.00 N ATOM 441 CA GLU A 104 -5.948 -3.868 -5.378 1.00 0.00 C ATOM 442 C GLU A 104 -7.242 -3.129 -5.701 1.00 0.00 C ATOM 443 O GLU A 104 -8.221 -3.217 -4.960 1.00 0.00 O ATOM 444 CB GLU A 104 -5.790 -5.079 -6.300 1.00 0.00 C ATOM 445 CG GLU A 104 -7.094 -5.809 -6.575 1.00 0.00 C ATOM 446 CD GLU A 104 -6.874 -7.208 -7.114 1.00 0.00 C ATOM 447 OE1 GLU A 104 -6.750 -7.358 -8.347 1.00 0.00 O ATOM 448 OE2 GLU A 104 -6.826 -8.157 -6.302 1.00 0.00 O ATOM 0 H GLU A 104 -6.843 -4.522 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.112 -3.188 -5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.361 -4.751 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.081 -5.775 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.676 -5.865 -5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.683 -5.236 -7.291 1.00 0.00 H new ATOM 455 N VAL A 105 -7.239 -2.398 -6.811 1.00 0.00 N ATOM 456 CA VAL A 105 -8.413 -1.643 -7.228 1.00 0.00 C ATOM 457 C VAL A 105 -9.669 -2.502 -7.154 1.00 0.00 C ATOM 458 O VAL A 105 -9.768 -3.535 -7.817 1.00 0.00 O ATOM 459 CB VAL A 105 -8.257 -1.098 -8.660 1.00 0.00 C ATOM 460 CG1 VAL A 105 -9.315 -0.043 -8.948 1.00 0.00 C ATOM 461 CG2 VAL A 105 -6.861 -0.531 -8.865 1.00 0.00 C ATOM 0 H VAL A 105 -6.438 -2.313 -7.436 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.509 -0.802 -6.541 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.397 -1.921 -9.360 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.189 0.331 -9.964 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.306 -0.484 -8.844 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.208 0.781 -8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.769 -0.150 -9.882 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.690 0.280 -8.157 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.122 -1.316 -8.703 1.00 0.00 H new ATOM 471 N GLY A 106 -10.625 -2.072 -6.340 1.00 0.00 N ATOM 472 CA GLY A 106 -11.862 -2.814 -6.186 1.00 0.00 C ATOM 473 C GLY A 106 -12.091 -3.257 -4.755 1.00 0.00 C ATOM 474 O GLY A 106 -13.232 -3.438 -4.329 1.00 0.00 O ATOM 0 H GLY A 106 -10.565 -1.220 -5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.698 -2.194 -6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.842 -3.689 -6.836 1.00 0.00 H new ATOM 478 N GLN A 107 -11.003 -3.431 -4.013 1.00 0.00 N ATOM 479 CA GLN A 107 -11.083 -3.854 -2.621 1.00 0.00 C ATOM 480 C GLN A 107 -11.401 -2.670 -1.712 1.00 0.00 C ATOM 481 O GLN A 107 -10.585 -1.762 -1.552 1.00 0.00 O ATOM 482 CB GLN A 107 -9.768 -4.504 -2.188 1.00 0.00 C ATOM 483 CG GLN A 107 -9.953 -5.685 -1.248 1.00 0.00 C ATOM 484 CD GLN A 107 -9.856 -7.019 -1.962 1.00 0.00 C ATOM 485 OE1 GLN A 107 -10.801 -7.807 -1.960 1.00 0.00 O ATOM 486 NE2 GLN A 107 -8.708 -7.277 -2.577 1.00 0.00 N ATOM 0 H GLN A 107 -10.053 -3.285 -4.354 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.888 -4.584 -2.534 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.228 -4.837 -3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.146 -3.755 -1.698 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.198 -5.642 -0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.925 -5.608 -0.760 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -7.951 -6.594 -2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -8.583 -8.159 -3.074 1.00 0.00 H new ATOM 495 N LYS A 108 -12.590 -2.686 -1.121 1.00 0.00 N ATOM 496 CA LYS A 108 -13.013 -1.613 -0.229 1.00 0.00 C ATOM 497 C LYS A 108 -12.393 -1.781 1.154 1.00 0.00 C ATOM 498 O LYS A 108 -13.030 -2.298 2.072 1.00 0.00 O ATOM 499 CB LYS A 108 -14.538 -1.585 -0.116 1.00 0.00 C ATOM 500 CG LYS A 108 -15.135 -2.880 0.407 1.00 0.00 C ATOM 501 CD LYS A 108 -16.159 -3.453 -0.559 1.00 0.00 C ATOM 502 CE LYS A 108 -17.543 -2.873 -0.312 1.00 0.00 C ATOM 503 NZ LYS A 108 -18.262 -3.596 0.773 1.00 0.00 N ATOM 0 H LYS A 108 -13.278 -3.429 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.670 -0.668 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.830 -0.768 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.962 -1.370 -1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.340 -3.608 0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.606 -2.700 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -15.852 -3.242 -1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.194 -4.537 -0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.453 -1.819 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -18.127 -2.923 -1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.201 -3.171 0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.370 -4.597 0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -17.718 -3.527 1.656 1.00 0.00 H new ATOM 517 N VAL A 109 -11.147 -1.340 1.298 1.00 0.00 N ATOM 518 CA VAL A 109 -10.444 -1.440 2.571 1.00 0.00 C ATOM 519 C VAL A 109 -11.338 -1.000 3.725 1.00 0.00 C ATOM 520 O VAL A 109 -12.465 -0.552 3.514 1.00 0.00 O ATOM 521 CB VAL A 109 -9.158 -0.592 2.576 1.00 0.00 C ATOM 522 CG1 VAL A 109 -8.275 -0.952 1.391 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.491 0.892 2.568 1.00 0.00 C ATOM 0 H VAL A 109 -10.604 -0.910 0.549 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.174 -2.488 2.702 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.608 -0.811 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.372 -0.342 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.003 -2.006 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.817 -0.766 0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.568 1.472 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.066 1.131 1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.078 1.138 3.453 1.00 0.00 H new ATOM 533 N ASN A 110 -10.826 -1.126 4.945 1.00 0.00 N ATOM 534 CA ASN A 110 -11.573 -0.740 6.132 1.00 0.00 C ATOM 535 C ASN A 110 -10.641 -0.593 7.328 1.00 0.00 C ATOM 536 O ASN A 110 -9.822 -1.468 7.605 1.00 0.00 O ATOM 537 CB ASN A 110 -12.655 -1.774 6.448 1.00 0.00 C ATOM 538 CG ASN A 110 -13.662 -1.924 5.324 1.00 0.00 C ATOM 539 OD1 ASN A 110 -14.375 -0.845 5.019 1.00 0.00 O flip ATOM 540 ND2 ASN A 110 -13.799 -2.997 4.737 1.00 0.00 N flip ATOM 0 H ASN A 110 -9.894 -1.494 5.136 1.00 0.00 H new ATOM 0 HA ASN A 110 -12.048 0.220 5.932 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -12.186 -2.738 6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.175 -1.483 7.361 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -13.230 -3.801 5.004 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -14.481 -3.083 3.984 1.00 0.00 H new ATOM 547 N VAL A 111 -10.773 0.522 8.030 1.00 0.00 N ATOM 548 CA VAL A 111 -9.946 0.794 9.199 1.00 0.00 C ATOM 549 C VAL A 111 -9.697 -0.479 9.999 1.00 0.00 C ATOM 550 O VAL A 111 -10.480 -1.427 9.935 1.00 0.00 O ATOM 551 CB VAL A 111 -10.596 1.846 10.118 1.00 0.00 C ATOM 552 CG1 VAL A 111 -12.064 1.517 10.351 1.00 0.00 C ATOM 553 CG2 VAL A 111 -9.847 1.939 11.438 1.00 0.00 C ATOM 0 H VAL A 111 -11.447 1.256 7.811 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.997 1.184 8.832 1.00 0.00 H new ATOM 0 HB VAL A 111 -10.538 2.817 9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -12.507 2.271 11.002 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -12.591 1.507 9.397 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -12.147 0.537 10.821 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.321 2.687 12.073 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.870 0.971 11.938 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.812 2.226 11.250 1.00 0.00 H new ATOM 563 N GLY A 112 -8.603 -0.495 10.752 1.00 0.00 N ATOM 564 CA GLY A 112 -8.273 -1.660 11.552 1.00 0.00 C ATOM 565 C GLY A 112 -7.717 -2.795 10.715 1.00 0.00 C ATOM 566 O GLY A 112 -7.385 -3.858 11.242 1.00 0.00 O ATOM 0 H GLY A 112 -7.940 0.277 10.823 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.543 -1.381 12.312 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.165 -2.002 12.077 1.00 0.00 H new ATOM 570 N ASP A 113 -7.615 -2.571 9.409 1.00 0.00 N ATOM 571 CA ASP A 113 -7.097 -3.579 8.499 1.00 0.00 C ATOM 572 C ASP A 113 -5.697 -3.204 8.019 1.00 0.00 C ATOM 573 O ASP A 113 -4.938 -2.554 8.740 1.00 0.00 O ATOM 574 CB ASP A 113 -8.039 -3.744 7.305 1.00 0.00 C ATOM 575 CG ASP A 113 -8.052 -5.162 6.769 1.00 0.00 C ATOM 576 OD1 ASP A 113 -6.965 -5.680 6.434 1.00 0.00 O ATOM 577 OD2 ASP A 113 -9.147 -5.755 6.683 1.00 0.00 O ATOM 0 H ASP A 113 -7.886 -1.697 8.959 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.034 -4.527 9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -9.049 -3.461 7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.737 -3.061 6.511 1.00 0.00 H new ATOM 582 N THR A 114 -5.360 -3.616 6.803 1.00 0.00 N ATOM 583 CA THR A 114 -4.050 -3.323 6.232 1.00 0.00 C ATOM 584 C THR A 114 -4.175 -2.867 4.783 1.00 0.00 C ATOM 585 O THR A 114 -5.098 -3.266 4.072 1.00 0.00 O ATOM 586 CB THR A 114 -3.149 -4.555 6.315 1.00 0.00 C ATOM 587 OG1 THR A 114 -3.257 -5.171 7.585 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.686 -4.245 6.078 1.00 0.00 C ATOM 0 H THR A 114 -5.975 -4.154 6.193 1.00 0.00 H new ATOM 0 HA THR A 114 -3.603 -2.514 6.809 1.00 0.00 H new ATOM 0 HB THR A 114 -3.496 -5.219 5.523 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.674 -5.958 7.617 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.103 -5.163 6.151 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.562 -3.814 5.084 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.339 -3.534 6.828 1.00 0.00 H new ATOM 596 N LEU A 115 -3.239 -2.029 4.351 1.00 0.00 N ATOM 597 CA LEU A 115 -3.242 -1.517 2.987 1.00 0.00 C ATOM 598 C LEU A 115 -2.138 -2.168 2.159 1.00 0.00 C ATOM 599 O LEU A 115 -2.391 -3.090 1.385 1.00 0.00 O ATOM 600 CB LEU A 115 -3.063 0.002 2.990 1.00 0.00 C ATOM 601 CG LEU A 115 -4.267 0.793 3.504 1.00 0.00 C ATOM 602 CD1 LEU A 115 -3.927 2.271 3.612 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.467 0.585 2.593 1.00 0.00 C ATOM 0 H LEU A 115 -2.468 -1.690 4.927 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.203 -1.762 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.196 0.250 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.839 0.329 1.974 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.522 0.427 4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.795 2.818 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.095 2.403 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.646 2.652 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.315 1.155 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.223 0.925 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.724 -0.474 2.566 1.00 0.00 H new ATOM 615 N CYS A 116 -0.915 -1.683 2.326 1.00 0.00 N ATOM 616 CA CYS A 116 0.223 -2.221 1.589 1.00 0.00 C ATOM 617 C CYS A 116 1.416 -2.441 2.512 1.00 0.00 C ATOM 618 O CYS A 116 1.280 -2.425 3.735 1.00 0.00 O ATOM 619 CB CYS A 116 0.610 -1.280 0.447 1.00 0.00 C ATOM 620 SG CYS A 116 1.464 0.221 0.984 1.00 0.00 S ATOM 0 H CYS A 116 -0.685 -0.920 2.963 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.070 -3.184 1.171 1.00 0.00 H new ATOM 0 HB2 CYS A 116 1.250 -1.819 -0.252 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.291 -0.997 -0.098 1.00 0.00 H new ATOM 0 HG CYS A 116 1.563 1.045 -0.016 1.00 0.00 H new ATOM 626 N ILE A 117 2.583 -2.652 1.915 1.00 0.00 N ATOM 627 CA ILE A 117 3.800 -2.882 2.682 1.00 0.00 C ATOM 628 C ILE A 117 4.808 -1.757 2.472 1.00 0.00 C ATOM 629 O ILE A 117 5.183 -1.450 1.337 1.00 0.00 O ATOM 630 CB ILE A 117 4.460 -4.219 2.295 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.413 -5.192 1.750 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.185 -4.822 3.486 1.00 0.00 C ATOM 633 CD1 ILE A 117 3.853 -6.640 1.794 1.00 0.00 C ATOM 0 H ILE A 117 2.712 -2.668 0.903 1.00 0.00 H new ATOM 0 HA ILE A 117 3.509 -2.914 3.732 1.00 0.00 H new ATOM 0 HB ILE A 117 5.193 -4.029 1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 117 2.493 -5.083 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.180 -4.923 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.645 -5.766 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.957 -4.133 3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.474 -5.000 4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.062 -7.273 1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.756 -6.764 1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.059 -6.927 2.825 1.00 0.00 H new ATOM 645 N VAL A 118 5.249 -1.157 3.576 1.00 0.00 N ATOM 646 CA VAL A 118 6.224 -0.072 3.531 1.00 0.00 C ATOM 647 C VAL A 118 7.574 -0.547 4.056 1.00 0.00 C ATOM 648 O VAL A 118 7.815 -0.555 5.264 1.00 0.00 O ATOM 649 CB VAL A 118 5.759 1.138 4.362 1.00 0.00 C ATOM 650 CG1 VAL A 118 6.883 2.150 4.507 1.00 0.00 C ATOM 651 CG2 VAL A 118 4.531 1.778 3.732 1.00 0.00 C ATOM 0 H VAL A 118 4.944 -1.407 4.517 1.00 0.00 H new ATOM 0 HA VAL A 118 6.320 0.234 2.489 1.00 0.00 H new ATOM 0 HB VAL A 118 5.487 0.789 5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 118 6.535 2.998 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.731 1.683 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 118 7.190 2.496 3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 118 4.217 2.631 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.773 2.114 2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.723 1.048 3.688 1.00 0.00 H new ATOM 661 N GLU A 119 8.444 -0.961 3.141 1.00 0.00 N ATOM 662 CA GLU A 119 9.765 -1.460 3.505 1.00 0.00 C ATOM 663 C GLU A 119 10.837 -0.405 3.241 1.00 0.00 C ATOM 664 O GLU A 119 11.206 -0.158 2.093 1.00 0.00 O ATOM 665 CB GLU A 119 10.076 -2.738 2.717 1.00 0.00 C ATOM 666 CG GLU A 119 9.064 -3.854 2.930 1.00 0.00 C ATOM 667 CD GLU A 119 7.639 -3.401 2.684 1.00 0.00 C ATOM 668 OE1 GLU A 119 7.201 -3.423 1.516 1.00 0.00 O ATOM 669 OE2 GLU A 119 6.965 -3.010 3.659 1.00 0.00 O ATOM 0 H GLU A 119 8.257 -0.961 2.138 1.00 0.00 H new ATOM 0 HA GLU A 119 9.766 -1.687 4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.119 -2.497 1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.065 -3.098 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.298 -4.684 2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.151 -4.229 3.950 1.00 0.00 H new ATOM 676 N ALA A 120 11.330 0.219 4.308 1.00 0.00 N ATOM 677 CA ALA A 120 12.355 1.252 4.179 1.00 0.00 C ATOM 678 C ALA A 120 13.567 0.957 5.057 1.00 0.00 C ATOM 679 O ALA A 120 14.048 1.832 5.778 1.00 0.00 O ATOM 680 CB ALA A 120 11.772 2.614 4.526 1.00 0.00 C ATOM 0 H ALA A 120 11.038 0.029 5.267 1.00 0.00 H new ATOM 0 HA ALA A 120 12.692 1.258 3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 120 12.545 3.377 4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 120 10.949 2.841 3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 120 11.404 2.602 5.552 1.00 0.00 H new ATOM 686 N MET A 121 14.054 -0.280 4.986 1.00 0.00 N ATOM 687 CA MET A 121 15.213 -0.707 5.768 1.00 0.00 C ATOM 688 C MET A 121 15.147 -2.204 6.033 1.00 0.00 C ATOM 689 O MET A 121 15.248 -2.649 7.177 1.00 0.00 O ATOM 690 CB MET A 121 15.278 0.049 7.097 1.00 0.00 C ATOM 691 CG MET A 121 13.925 0.210 7.772 1.00 0.00 C ATOM 692 SD MET A 121 13.928 -0.368 9.479 1.00 0.00 S ATOM 693 CE MET A 121 15.133 0.738 10.209 1.00 0.00 C ATOM 0 H MET A 121 13.661 -1.009 4.391 1.00 0.00 H new ATOM 0 HA MET A 121 16.112 -0.483 5.193 1.00 0.00 H new ATOM 0 HB2 MET A 121 15.951 -0.478 7.773 1.00 0.00 H new ATOM 0 HB3 MET A 121 15.708 1.035 6.924 1.00 0.00 H new ATOM 0 HG2 MET A 121 13.634 1.260 7.749 1.00 0.00 H new ATOM 0 HG3 MET A 121 13.173 -0.341 7.207 1.00 0.00 H new ATOM 0 HE1 MET A 121 15.045 0.706 11.295 1.00 0.00 H new ATOM 0 HE2 MET A 121 16.136 0.427 9.917 1.00 0.00 H new ATOM 0 HE3 MET A 121 14.952 1.755 9.860 1.00 0.00 H new ATOM 703 N LYS A 122 14.963 -2.978 4.969 1.00 0.00 N ATOM 704 CA LYS A 122 14.867 -4.426 5.088 1.00 0.00 C ATOM 705 C LYS A 122 13.755 -4.805 6.057 1.00 0.00 C ATOM 706 O LYS A 122 13.707 -5.928 6.560 1.00 0.00 O ATOM 707 CB LYS A 122 16.194 -5.022 5.557 1.00 0.00 C ATOM 708 CG LYS A 122 16.165 -6.536 5.690 1.00 0.00 C ATOM 709 CD LYS A 122 15.232 -7.171 4.669 1.00 0.00 C ATOM 710 CE LYS A 122 15.806 -7.086 3.264 1.00 0.00 C ATOM 711 NZ LYS A 122 16.467 -8.326 2.866 1.00 0.00 N ATOM 0 H LYS A 122 14.878 -2.626 4.015 1.00 0.00 H new ATOM 0 HA LYS A 122 14.634 -4.832 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.978 -4.742 4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.459 -4.586 6.520 1.00 0.00 H new ATOM 0 HG2 LYS A 122 17.172 -6.932 5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 122 15.843 -6.807 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 122 15.060 -8.215 4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.264 -6.671 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 122 15.006 -6.859 2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 122 16.519 -6.263 3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 16.844 -8.225 1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 17.247 -8.530 3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 15.781 -9.108 2.889 1.00 0.00 H new ATOM 722 N MET A 123 12.860 -3.858 6.313 1.00 0.00 N ATOM 723 CA MET A 123 11.745 -4.088 7.217 1.00 0.00 C ATOM 724 C MET A 123 10.481 -3.421 6.697 1.00 0.00 C ATOM 725 O MET A 123 10.448 -2.210 6.465 1.00 0.00 O ATOM 726 CB MET A 123 12.064 -3.574 8.618 1.00 0.00 C ATOM 727 CG MET A 123 13.469 -3.914 9.089 1.00 0.00 C ATOM 728 SD MET A 123 13.502 -4.552 10.775 1.00 0.00 S ATOM 729 CE MET A 123 15.151 -4.075 11.284 1.00 0.00 C ATOM 0 H MET A 123 12.887 -2.923 5.906 1.00 0.00 H new ATOM 0 HA MET A 123 11.578 -5.164 7.270 1.00 0.00 H new ATOM 0 HB2 MET A 123 11.936 -2.492 8.636 1.00 0.00 H new ATOM 0 HB3 MET A 123 11.344 -3.992 9.321 1.00 0.00 H new ATOM 0 HG2 MET A 123 13.904 -4.653 8.417 1.00 0.00 H new ATOM 0 HG3 MET A 123 14.093 -3.022 9.030 1.00 0.00 H new ATOM 0 HE1 MET A 123 15.324 -4.401 12.310 1.00 0.00 H new ATOM 0 HE2 MET A 123 15.884 -4.542 10.627 1.00 0.00 H new ATOM 0 HE3 MET A 123 15.250 -2.991 11.226 1.00 0.00 H new ATOM 739 N MET A 124 9.448 -4.226 6.515 1.00 0.00 N ATOM 740 CA MET A 124 8.168 -3.741 6.019 1.00 0.00 C ATOM 741 C MET A 124 7.404 -2.984 7.097 1.00 0.00 C ATOM 742 O MET A 124 7.797 -2.970 8.263 1.00 0.00 O ATOM 743 CB MET A 124 7.317 -4.906 5.505 1.00 0.00 C ATOM 744 CG MET A 124 7.587 -6.230 6.204 1.00 0.00 C ATOM 745 SD MET A 124 8.878 -7.193 5.391 1.00 0.00 S ATOM 746 CE MET A 124 7.923 -8.560 4.740 1.00 0.00 C ATOM 0 H MET A 124 9.470 -5.228 6.705 1.00 0.00 H new ATOM 0 HA MET A 124 8.373 -3.054 5.198 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.264 -4.653 5.625 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.496 -5.029 4.437 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.878 -6.039 7.237 1.00 0.00 H new ATOM 0 HG3 MET A 124 6.668 -6.815 6.235 1.00 0.00 H new ATOM 0 HE1 MET A 124 8.584 -9.245 4.208 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.437 -9.088 5.561 1.00 0.00 H new ATOM 0 HE3 MET A 124 7.166 -8.181 4.054 1.00 0.00 H new ATOM 756 N ASN A 125 6.304 -2.360 6.693 1.00 0.00 N ATOM 757 CA ASN A 125 5.466 -1.600 7.610 1.00 0.00 C ATOM 758 C ASN A 125 4.019 -1.596 7.131 1.00 0.00 C ATOM 759 O ASN A 125 3.578 -0.661 6.461 1.00 0.00 O ATOM 760 CB ASN A 125 5.982 -0.165 7.739 1.00 0.00 C ATOM 761 CG ASN A 125 6.968 -0.005 8.879 1.00 0.00 C ATOM 762 OD1 ASN A 125 8.182 -0.067 8.679 1.00 0.00 O ATOM 763 ND2 ASN A 125 6.451 0.201 10.084 1.00 0.00 N ATOM 0 H ASN A 125 5.971 -2.366 5.729 1.00 0.00 H new ATOM 0 HA ASN A 125 5.508 -2.077 8.589 1.00 0.00 H new ATOM 0 HB2 ASN A 125 6.459 0.132 6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.139 0.509 7.894 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.066 0.315 10.890 1.00 0.00 H new ATOM 0 HD22 ASN A 125 5.439 0.245 10.204 1.00 0.00 H new ATOM 770 N GLN A 126 3.289 -2.652 7.471 1.00 0.00 N ATOM 771 CA GLN A 126 1.892 -2.779 7.072 1.00 0.00 C ATOM 772 C GLN A 126 1.108 -1.516 7.412 1.00 0.00 C ATOM 773 O GLN A 126 0.913 -1.189 8.582 1.00 0.00 O ATOM 774 CB GLN A 126 1.254 -3.988 7.756 1.00 0.00 C ATOM 775 CG GLN A 126 1.634 -4.129 9.221 1.00 0.00 C ATOM 776 CD GLN A 126 0.620 -4.931 10.013 1.00 0.00 C ATOM 777 OE1 GLN A 126 -0.323 -5.489 9.451 1.00 0.00 O ATOM 778 NE2 GLN A 126 0.809 -4.991 11.326 1.00 0.00 N ATOM 0 H GLN A 126 3.642 -3.434 8.023 1.00 0.00 H new ATOM 0 HA GLN A 126 1.862 -2.921 5.992 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.170 -3.910 7.676 1.00 0.00 H new ATOM 0 HB3 GLN A 126 1.548 -4.893 7.224 1.00 0.00 H new ATOM 0 HG2 GLN A 126 2.609 -4.610 9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 126 1.733 -3.138 9.664 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.605 -4.513 11.749 1.00 0.00 H new ATOM 0 HE22 GLN A 126 0.159 -5.515 11.911 1.00 0.00 H new ATOM 787 N ILE A 127 0.658 -0.812 6.379 1.00 0.00 N ATOM 788 CA ILE A 127 -0.109 0.413 6.565 1.00 0.00 C ATOM 789 C ILE A 127 -1.573 0.100 6.855 1.00 0.00 C ATOM 790 O ILE A 127 -2.366 -0.113 5.938 1.00 0.00 O ATOM 791 CB ILE A 127 -0.024 1.323 5.324 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.437 1.610 4.975 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.783 2.619 5.565 1.00 0.00 C ATOM 794 CD1 ILE A 127 2.282 1.988 6.171 1.00 0.00 C ATOM 0 H ILE A 127 0.812 -1.069 5.404 1.00 0.00 H new ATOM 0 HA ILE A 127 0.325 0.936 7.417 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.484 0.808 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 127 1.868 0.729 4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.475 2.417 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.714 3.251 4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.830 2.395 5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.350 3.141 6.418 1.00 0.00 H new ATOM 0 HD11 ILE A 127 3.306 2.177 5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.876 2.887 6.634 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.275 1.172 6.894 1.00 0.00 H new ATOM 806 N GLU A 128 -1.923 0.066 8.137 1.00 0.00 N ATOM 807 CA GLU A 128 -3.292 -0.227 8.549 1.00 0.00 C ATOM 808 C GLU A 128 -4.221 0.941 8.238 1.00 0.00 C ATOM 809 O GLU A 128 -3.833 2.105 8.346 1.00 0.00 O ATOM 810 CB GLU A 128 -3.339 -0.548 10.045 1.00 0.00 C ATOM 811 CG GLU A 128 -2.026 -1.080 10.595 1.00 0.00 C ATOM 812 CD GLU A 128 -2.209 -1.874 11.873 1.00 0.00 C ATOM 813 OE1 GLU A 128 -3.229 -2.585 11.990 1.00 0.00 O ATOM 814 OE2 GLU A 128 -1.331 -1.787 12.757 1.00 0.00 O ATOM 0 H GLU A 128 -1.278 0.238 8.908 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.634 -1.095 7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -3.614 0.353 10.593 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -4.123 -1.283 10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -1.551 -1.711 9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -1.350 -0.246 10.783 1.00 0.00 H new ATOM 821 N ALA A 129 -5.454 0.621 7.856 1.00 0.00 N ATOM 822 CA ALA A 129 -6.442 1.642 7.532 1.00 0.00 C ATOM 823 C ALA A 129 -6.859 2.410 8.783 1.00 0.00 C ATOM 824 O ALA A 129 -6.981 1.834 9.863 1.00 0.00 O ATOM 825 CB ALA A 129 -7.658 1.010 6.870 1.00 0.00 C ATOM 0 H ALA A 129 -5.792 -0.337 7.764 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.989 2.346 6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.387 1.785 6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.353 0.507 5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.106 0.285 7.549 1.00 0.00 H new ATOM 831 N ASP A 130 -7.074 3.712 8.631 1.00 0.00 N ATOM 832 CA ASP A 130 -7.475 4.555 9.753 1.00 0.00 C ATOM 833 C ASP A 130 -8.741 5.341 9.424 1.00 0.00 C ATOM 834 O ASP A 130 -9.215 6.136 10.236 1.00 0.00 O ATOM 835 CB ASP A 130 -6.345 5.516 10.123 1.00 0.00 C ATOM 836 CG ASP A 130 -5.973 6.437 8.978 1.00 0.00 C ATOM 837 OD1 ASP A 130 -6.676 6.415 7.945 1.00 0.00 O ATOM 838 OD2 ASP A 130 -4.978 7.180 9.113 1.00 0.00 O ATOM 0 H ASP A 130 -6.978 4.207 7.744 1.00 0.00 H new ATOM 0 HA ASP A 130 -7.686 3.907 10.603 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -6.647 6.114 10.983 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -5.468 4.943 10.425 1.00 0.00 H new ATOM 843 N LYS A 131 -9.284 5.117 8.232 1.00 0.00 N ATOM 844 CA LYS A 131 -10.495 5.810 7.803 1.00 0.00 C ATOM 845 C LYS A 131 -11.198 5.046 6.686 1.00 0.00 C ATOM 846 O LYS A 131 -11.974 5.620 5.923 1.00 0.00 O ATOM 847 CB LYS A 131 -10.158 7.229 7.338 1.00 0.00 C ATOM 848 CG LYS A 131 -9.721 7.310 5.883 1.00 0.00 C ATOM 849 CD LYS A 131 -8.518 6.422 5.607 1.00 0.00 C ATOM 850 CE LYS A 131 -8.304 6.224 4.116 1.00 0.00 C ATOM 851 NZ LYS A 131 -8.517 4.809 3.706 1.00 0.00 N ATOM 0 H LYS A 131 -8.906 4.463 7.547 1.00 0.00 H new ATOM 0 HA LYS A 131 -11.171 5.866 8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -11.031 7.865 7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -9.364 7.629 7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -10.548 7.014 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -9.476 8.342 5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -7.626 6.868 6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -8.661 5.454 6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -8.987 6.869 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -7.292 6.530 3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -7.915 4.590 2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -8.271 4.178 4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -9.515 4.668 3.449 1.00 0.00 H new ATOM 865 N SER A 132 -10.923 3.750 6.598 1.00 0.00 N ATOM 866 CA SER A 132 -11.531 2.908 5.574 1.00 0.00 C ATOM 867 C SER A 132 -11.386 3.543 4.195 1.00 0.00 C ATOM 868 O SER A 132 -10.923 4.677 4.068 1.00 0.00 O ATOM 869 CB SER A 132 -13.009 2.673 5.888 1.00 0.00 C ATOM 870 OG SER A 132 -13.834 3.565 5.161 1.00 0.00 O ATOM 0 H SER A 132 -10.283 3.259 7.223 1.00 0.00 H new ATOM 0 HA SER A 132 -11.012 1.949 5.570 1.00 0.00 H new ATOM 0 HB2 SER A 132 -13.277 1.645 5.644 1.00 0.00 H new ATOM 0 HB3 SER A 132 -13.182 2.802 6.956 1.00 0.00 H new ATOM 0 HG SER A 132 -13.515 4.483 5.288 1.00 0.00 H new ATOM 876 N GLY A 133 -11.784 2.807 3.163 1.00 0.00 N ATOM 877 CA GLY A 133 -11.688 3.319 1.809 1.00 0.00 C ATOM 878 C GLY A 133 -11.635 2.215 0.772 1.00 0.00 C ATOM 879 O GLY A 133 -11.606 1.034 1.112 1.00 0.00 O ATOM 0 H GLY A 133 -12.171 1.866 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.544 3.963 1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.796 3.939 1.721 1.00 0.00 H new ATOM 883 N THR A 134 -11.629 2.603 -0.499 1.00 0.00 N ATOM 884 CA THR A 134 -11.585 1.640 -1.594 1.00 0.00 C ATOM 885 C THR A 134 -10.458 1.961 -2.569 1.00 0.00 C ATOM 886 O THR A 134 -10.444 3.029 -3.180 1.00 0.00 O ATOM 887 CB THR A 134 -12.914 1.642 -2.343 1.00 0.00 C ATOM 888 OG1 THR A 134 -13.998 1.485 -1.446 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.015 0.551 -3.386 1.00 0.00 C ATOM 0 H THR A 134 -11.654 3.578 -0.797 1.00 0.00 H new ATOM 0 HA THR A 134 -11.402 0.655 -1.165 1.00 0.00 H new ATOM 0 HB THR A 134 -12.959 2.607 -2.847 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.840 1.491 -1.947 1.00 0.00 H new ATOM 0 HG21 THR A 134 -13.984 0.609 -3.881 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.223 0.678 -4.124 1.00 0.00 H new ATOM 0 HG23 THR A 134 -12.911 -0.422 -2.906 1.00 0.00 H new ATOM 897 N VAL A 135 -9.525 1.029 -2.727 1.00 0.00 N ATOM 898 CA VAL A 135 -8.415 1.228 -3.648 1.00 0.00 C ATOM 899 C VAL A 135 -8.938 1.619 -5.024 1.00 0.00 C ATOM 900 O VAL A 135 -9.996 1.153 -5.449 1.00 0.00 O ATOM 901 CB VAL A 135 -7.549 -0.038 -3.779 1.00 0.00 C ATOM 902 CG1 VAL A 135 -6.521 0.131 -4.887 1.00 0.00 C ATOM 903 CG2 VAL A 135 -6.870 -0.359 -2.457 1.00 0.00 C ATOM 0 H VAL A 135 -9.515 0.136 -2.234 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.796 2.028 -3.242 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.197 -0.874 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -5.918 -0.774 -4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -7.032 0.309 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -5.875 0.979 -4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.262 -1.257 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.234 0.476 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -7.627 -0.526 -1.690 1.00 0.00 H new ATOM 913 N LYS A 136 -8.206 2.483 -5.716 1.00 0.00 N ATOM 914 CA LYS A 136 -8.618 2.934 -7.035 1.00 0.00 C ATOM 915 C LYS A 136 -7.527 2.696 -8.070 1.00 0.00 C ATOM 916 O LYS A 136 -7.792 2.690 -9.272 1.00 0.00 O ATOM 917 CB LYS A 136 -8.977 4.416 -6.986 1.00 0.00 C ATOM 918 CG LYS A 136 -10.162 4.716 -6.086 1.00 0.00 C ATOM 919 CD LYS A 136 -11.475 4.351 -6.759 1.00 0.00 C ATOM 920 CE LYS A 136 -12.039 5.519 -7.552 1.00 0.00 C ATOM 921 NZ LYS A 136 -13.366 5.198 -8.146 1.00 0.00 N ATOM 0 H LYS A 136 -7.328 2.883 -5.386 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.493 2.356 -7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -8.112 4.981 -6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -9.199 4.763 -7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -10.063 4.161 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -10.166 5.775 -5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.321 3.500 -7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -12.197 4.040 -6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -12.133 6.388 -6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -11.342 5.789 -8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -13.592 5.893 -8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -13.339 4.245 -8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -14.095 5.231 -7.405 1.00 0.00 H new ATOM 935 N ALA A 137 -6.300 2.506 -7.601 1.00 0.00 N ATOM 936 CA ALA A 137 -5.180 2.276 -8.500 1.00 0.00 C ATOM 937 C ALA A 137 -3.851 2.403 -7.767 1.00 0.00 C ATOM 938 O ALA A 137 -3.764 3.061 -6.729 1.00 0.00 O ATOM 939 CB ALA A 137 -5.241 3.256 -9.655 1.00 0.00 C ATOM 0 H ALA A 137 -6.058 2.507 -6.610 1.00 0.00 H new ATOM 0 HA ALA A 137 -5.251 1.259 -8.886 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.400 3.080 -10.326 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -6.175 3.119 -10.200 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -5.192 4.275 -9.271 1.00 0.00 H new ATOM 945 N ILE A 138 -2.818 1.773 -8.312 1.00 0.00 N ATOM 946 CA ILE A 138 -1.495 1.822 -7.708 1.00 0.00 C ATOM 947 C ILE A 138 -0.538 2.653 -8.554 1.00 0.00 C ATOM 948 O ILE A 138 0.206 2.116 -9.374 1.00 0.00 O ATOM 949 CB ILE A 138 -0.904 0.411 -7.514 1.00 0.00 C ATOM 950 CG1 ILE A 138 -2.009 -0.647 -7.573 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.160 0.334 -6.194 1.00 0.00 C ATOM 952 CD1 ILE A 138 -3.187 -0.340 -6.676 1.00 0.00 C ATOM 0 H ILE A 138 -2.872 1.223 -9.170 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.613 2.289 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 138 -0.200 0.213 -8.322 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -2.359 -0.738 -8.601 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.591 -1.614 -7.292 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.253 -0.667 -6.067 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.649 1.064 -6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.847 0.549 -5.376 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.931 -1.131 -6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.850 -0.278 -5.641 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.630 0.611 -6.971 1.00 0.00 H new ATOM 964 N LEU A 139 -0.564 3.966 -8.350 1.00 0.00 N ATOM 965 CA LEU A 139 0.304 4.871 -9.095 1.00 0.00 C ATOM 966 C LEU A 139 1.733 4.345 -9.109 1.00 0.00 C ATOM 967 O LEU A 139 2.507 4.640 -10.019 1.00 0.00 O ATOM 968 CB LEU A 139 0.266 6.273 -8.482 1.00 0.00 C ATOM 969 CG LEU A 139 -1.135 6.808 -8.180 1.00 0.00 C ATOM 970 CD1 LEU A 139 -1.140 8.328 -8.196 1.00 0.00 C ATOM 971 CD2 LEU A 139 -2.142 6.260 -9.180 1.00 0.00 C ATOM 0 H LEU A 139 -1.176 4.427 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.058 4.928 -10.121 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.843 6.265 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.764 6.964 -9.162 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.424 6.474 -7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.145 8.691 -7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.448 8.702 -7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.831 8.683 -9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -3.133 6.651 -8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.857 6.564 -10.187 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.159 5.172 -9.120 1.00 0.00 H new ATOM 983 N VAL A 140 2.069 3.559 -8.094 1.00 0.00 N ATOM 984 CA VAL A 140 3.399 2.979 -7.980 1.00 0.00 C ATOM 985 C VAL A 140 3.375 1.502 -8.341 1.00 0.00 C ATOM 986 O VAL A 140 2.375 0.820 -8.125 1.00 0.00 O ATOM 987 CB VAL A 140 3.953 3.126 -6.553 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.260 2.359 -6.404 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.142 4.593 -6.200 1.00 0.00 C ATOM 0 H VAL A 140 1.435 3.308 -7.335 1.00 0.00 H new ATOM 0 HA VAL A 140 4.044 3.519 -8.673 1.00 0.00 H new ATOM 0 HB VAL A 140 3.229 2.701 -5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.636 2.475 -5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 140 5.087 1.302 -6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 140 5.994 2.750 -7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.535 4.676 -5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.844 5.048 -6.899 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.183 5.108 -6.261 1.00 0.00 H new ATOM 999 N GLU A 141 4.482 1.005 -8.881 1.00 0.00 N ATOM 1000 CA GLU A 141 4.571 -0.398 -9.251 1.00 0.00 C ATOM 1001 C GLU A 141 4.181 -1.270 -8.063 1.00 0.00 C ATOM 1002 O GLU A 141 3.696 -0.767 -7.051 1.00 0.00 O ATOM 1003 CB GLU A 141 5.986 -0.742 -9.715 1.00 0.00 C ATOM 1004 CG GLU A 141 6.253 -0.397 -11.171 1.00 0.00 C ATOM 1005 CD GLU A 141 5.149 -0.871 -12.095 1.00 0.00 C ATOM 1006 OE1 GLU A 141 4.127 -0.163 -12.211 1.00 0.00 O ATOM 1007 OE2 GLU A 141 5.307 -1.950 -12.705 1.00 0.00 O ATOM 0 H GLU A 141 5.323 1.550 -9.070 1.00 0.00 H new ATOM 0 HA GLU A 141 3.884 -0.588 -10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.703 -0.212 -9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 141 6.159 -1.808 -9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.366 0.683 -11.270 1.00 0.00 H new ATOM 0 HG3 GLU A 141 7.197 -0.846 -11.479 1.00 0.00 H new ATOM 1014 N SER A 142 4.388 -2.574 -8.184 1.00 0.00 N ATOM 1015 CA SER A 142 4.043 -3.488 -7.104 1.00 0.00 C ATOM 1016 C SER A 142 5.162 -3.586 -6.077 1.00 0.00 C ATOM 1017 O SER A 142 4.937 -3.368 -4.892 1.00 0.00 O ATOM 1018 CB SER A 142 3.735 -4.877 -7.644 1.00 0.00 C ATOM 1019 OG SER A 142 4.093 -4.987 -9.011 1.00 0.00 O ATOM 0 H SER A 142 4.789 -3.019 -9.010 1.00 0.00 H new ATOM 0 HA SER A 142 3.155 -3.085 -6.617 1.00 0.00 H new ATOM 0 HB2 SER A 142 4.275 -5.624 -7.063 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.672 -5.089 -7.526 1.00 0.00 H new ATOM 0 HG SER A 142 5.069 -4.960 -9.097 1.00 0.00 H new ATOM 1025 N GLY A 143 6.362 -3.928 -6.537 1.00 0.00 N ATOM 1026 CA GLY A 143 7.490 -4.062 -5.636 1.00 0.00 C ATOM 1027 C GLY A 143 8.697 -3.269 -6.084 1.00 0.00 C ATOM 1028 O GLY A 143 9.413 -3.677 -6.998 1.00 0.00 O ATOM 0 H GLY A 143 6.572 -4.114 -7.518 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.194 -3.733 -4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.762 -5.114 -5.556 1.00 0.00 H new ATOM 1032 N GLN A 144 8.926 -2.135 -5.435 1.00 0.00 N ATOM 1033 CA GLN A 144 10.063 -1.286 -5.770 1.00 0.00 C ATOM 1034 C GLN A 144 10.190 -0.125 -4.792 1.00 0.00 C ATOM 1035 O GLN A 144 9.192 0.425 -4.327 1.00 0.00 O ATOM 1036 CB GLN A 144 9.929 -0.752 -7.198 1.00 0.00 C ATOM 1037 CG GLN A 144 8.514 -0.813 -7.745 1.00 0.00 C ATOM 1038 CD GLN A 144 8.320 -1.944 -8.737 1.00 0.00 C ATOM 1039 OE1 GLN A 144 7.695 -2.958 -8.427 1.00 0.00 O ATOM 1040 NE2 GLN A 144 8.852 -1.774 -9.941 1.00 0.00 N ATOM 0 H GLN A 144 8.342 -1.782 -4.676 1.00 0.00 H new ATOM 0 HA GLN A 144 10.965 -1.894 -5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 144 10.274 0.282 -7.223 1.00 0.00 H new ATOM 0 HB3 GLN A 144 10.587 -1.324 -7.853 1.00 0.00 H new ATOM 0 HG2 GLN A 144 7.814 -0.936 -6.919 1.00 0.00 H new ATOM 0 HG3 GLN A 144 8.274 0.134 -8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 144 9.363 -0.918 -10.157 1.00 0.00 H new ATOM 0 HE22 GLN A 144 8.750 -2.500 -10.651 1.00 0.00 H new ATOM 1049 N PRO A 145 11.432 0.265 -4.474 1.00 0.00 N ATOM 1050 CA PRO A 145 11.706 1.369 -3.550 1.00 0.00 C ATOM 1051 C PRO A 145 11.042 2.666 -3.996 1.00 0.00 C ATOM 1052 O PRO A 145 10.966 2.958 -5.190 1.00 0.00 O ATOM 1053 CB PRO A 145 13.232 1.509 -3.596 1.00 0.00 C ATOM 1054 CG PRO A 145 13.724 0.185 -4.066 1.00 0.00 C ATOM 1055 CD PRO A 145 12.668 -0.342 -4.994 1.00 0.00 C ATOM 0 HA PRO A 145 11.316 1.171 -2.552 1.00 0.00 H new ATOM 0 HB2 PRO A 145 13.535 2.307 -4.274 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.636 1.755 -2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 145 14.681 0.284 -4.579 1.00 0.00 H new ATOM 0 HG3 PRO A 145 13.881 -0.493 -3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 145 12.857 -0.050 -6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.621 -1.431 -4.974 1.00 0.00 H new ATOM 1063 N VAL A 146 10.560 3.440 -3.031 1.00 0.00 N ATOM 1064 CA VAL A 146 9.901 4.704 -3.328 1.00 0.00 C ATOM 1065 C VAL A 146 10.492 5.839 -2.503 1.00 0.00 C ATOM 1066 O VAL A 146 11.403 5.630 -1.701 1.00 0.00 O ATOM 1067 CB VAL A 146 8.387 4.623 -3.059 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.691 3.838 -4.161 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.119 3.999 -1.698 1.00 0.00 C ATOM 0 H VAL A 146 10.613 3.214 -2.038 1.00 0.00 H new ATOM 0 HA VAL A 146 10.065 4.906 -4.387 1.00 0.00 H new ATOM 0 HB VAL A 146 7.982 5.635 -3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.622 3.791 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.854 4.332 -5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 146 8.098 2.828 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.044 3.950 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.537 2.993 -1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.584 4.606 -0.921 1.00 0.00 H new ATOM 1079 N GLU A 147 9.968 7.043 -2.704 1.00 0.00 N ATOM 1080 CA GLU A 147 10.444 8.215 -1.979 1.00 0.00 C ATOM 1081 C GLU A 147 9.277 8.980 -1.364 1.00 0.00 C ATOM 1082 O GLU A 147 8.214 9.104 -1.974 1.00 0.00 O ATOM 1083 CB GLU A 147 11.239 9.130 -2.911 1.00 0.00 C ATOM 1084 CG GLU A 147 12.022 8.380 -3.977 1.00 0.00 C ATOM 1085 CD GLU A 147 13.476 8.804 -4.039 1.00 0.00 C ATOM 1086 OE1 GLU A 147 13.809 9.871 -3.479 1.00 0.00 O ATOM 1087 OE2 GLU A 147 14.283 8.071 -4.647 1.00 0.00 O ATOM 0 H GLU A 147 9.213 7.233 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 147 11.098 7.876 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 147 10.553 9.824 -3.397 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.930 9.728 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 147 11.968 7.310 -3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 147 11.557 8.547 -4.949 1.00 0.00 H new ATOM 1094 N PHE A 148 9.482 9.491 -0.155 1.00 0.00 N ATOM 1095 CA PHE A 148 8.447 10.245 0.543 1.00 0.00 C ATOM 1096 C PHE A 148 7.620 11.071 -0.438 1.00 0.00 C ATOM 1097 O PHE A 148 8.162 11.685 -1.357 1.00 0.00 O ATOM 1098 CB PHE A 148 9.075 11.159 1.596 1.00 0.00 C ATOM 1099 CG PHE A 148 8.139 12.216 2.108 1.00 0.00 C ATOM 1100 CD1 PHE A 148 7.268 11.941 3.156 1.00 0.00 C ATOM 1101 CD2 PHE A 148 8.128 13.486 1.543 1.00 0.00 C ATOM 1102 CE1 PHE A 148 6.402 12.914 3.631 1.00 0.00 C ATOM 1103 CE2 PHE A 148 7.266 14.464 2.014 1.00 0.00 C ATOM 1104 CZ PHE A 148 6.401 14.177 3.060 1.00 0.00 C ATOM 0 H PHE A 148 10.356 9.397 0.362 1.00 0.00 H new ATOM 0 HA PHE A 148 7.786 9.534 1.038 1.00 0.00 H new ATOM 0 HB2 PHE A 148 9.418 10.552 2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 148 9.955 11.640 1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 148 7.266 10.959 3.605 1.00 0.00 H new ATOM 0 HD2 PHE A 148 8.799 13.713 0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 148 5.729 12.688 4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 148 7.268 15.447 1.568 1.00 0.00 H new ATOM 0 HZ PHE A 148 5.728 14.937 3.429 1.00 0.00 H new ATOM 1114 N ASP A 149 6.306 11.078 -0.240 1.00 0.00 N ATOM 1115 CA ASP A 149 5.407 11.826 -1.112 1.00 0.00 C ATOM 1116 C ASP A 149 5.286 11.149 -2.471 1.00 0.00 C ATOM 1117 O ASP A 149 4.997 11.798 -3.477 1.00 0.00 O ATOM 1118 CB ASP A 149 5.908 13.262 -1.285 1.00 0.00 C ATOM 1119 CG ASP A 149 4.801 14.284 -1.124 1.00 0.00 C ATOM 1120 OD1 ASP A 149 3.943 14.378 -2.028 1.00 0.00 O ATOM 1121 OD2 ASP A 149 4.791 14.993 -0.096 1.00 0.00 O ATOM 0 H ASP A 149 5.840 10.575 0.515 1.00 0.00 H new ATOM 0 HA ASP A 149 4.421 11.848 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.691 13.461 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.358 13.370 -2.272 1.00 0.00 H new ATOM 1126 N GLU A 150 5.507 9.839 -2.493 1.00 0.00 N ATOM 1127 CA GLU A 150 5.423 9.071 -3.728 1.00 0.00 C ATOM 1128 C GLU A 150 4.162 8.214 -3.750 1.00 0.00 C ATOM 1129 O GLU A 150 4.224 6.995 -3.593 1.00 0.00 O ATOM 1130 CB GLU A 150 6.659 8.184 -3.886 1.00 0.00 C ATOM 1131 CG GLU A 150 6.578 7.233 -5.070 1.00 0.00 C ATOM 1132 CD GLU A 150 5.980 7.884 -6.301 1.00 0.00 C ATOM 1133 OE1 GLU A 150 6.707 8.626 -6.993 1.00 0.00 O ATOM 1134 OE2 GLU A 150 4.783 7.653 -6.572 1.00 0.00 O ATOM 0 H GLU A 150 5.746 9.287 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 150 5.379 9.773 -4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.539 8.818 -3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.799 7.604 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 150 7.577 6.867 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 150 5.978 6.366 -4.794 1.00 0.00 H new ATOM 1141 N PRO A 151 2.997 8.846 -3.957 1.00 0.00 N ATOM 1142 CA PRO A 151 1.719 8.150 -4.011 1.00 0.00 C ATOM 1143 C PRO A 151 1.851 6.763 -4.629 1.00 0.00 C ATOM 1144 O PRO A 151 2.318 6.618 -5.759 1.00 0.00 O ATOM 1145 CB PRO A 151 0.886 9.070 -4.896 1.00 0.00 C ATOM 1146 CG PRO A 151 1.391 10.444 -4.586 1.00 0.00 C ATOM 1147 CD PRO A 151 2.837 10.296 -4.165 1.00 0.00 C ATOM 0 HA PRO A 151 1.286 7.972 -3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.014 8.829 -5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -0.177 8.978 -4.675 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.307 11.092 -5.458 1.00 0.00 H new ATOM 0 HG3 PRO A 151 0.802 10.902 -3.791 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.517 10.667 -4.932 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.048 10.856 -3.254 1.00 0.00 H new ATOM 1155 N LEU A 152 1.453 5.741 -3.876 1.00 0.00 N ATOM 1156 CA LEU A 152 1.545 4.365 -4.349 1.00 0.00 C ATOM 1157 C LEU A 152 0.172 3.707 -4.429 1.00 0.00 C ATOM 1158 O LEU A 152 -0.306 3.377 -5.515 1.00 0.00 O ATOM 1159 CB LEU A 152 2.454 3.545 -3.426 1.00 0.00 C ATOM 1160 CG LEU A 152 3.474 4.352 -2.616 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.451 3.925 -1.157 1.00 0.00 C ATOM 1162 CD2 LEU A 152 4.869 4.184 -3.199 1.00 0.00 C ATOM 0 H LEU A 152 1.065 5.840 -2.938 1.00 0.00 H new ATOM 0 HA LEU A 152 1.971 4.391 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.827 2.985 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 152 2.992 2.815 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 152 3.203 5.406 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.181 4.508 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.457 4.094 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.699 2.866 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.581 4.764 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.150 3.131 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 152 4.877 4.537 -4.230 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.448 3.507 -3.271 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.758 2.877 -3.196 1.00 0.00 C ATOM 1176 C VAL A 153 -2.869 3.918 -3.113 1.00 0.00 C ATOM 1177 O VAL A 153 -3.069 4.552 -2.077 1.00 0.00 O ATOM 1178 CB VAL A 153 -1.845 1.928 -1.983 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.119 2.527 -0.788 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.294 1.612 -1.636 1.00 0.00 C ATOM 0 H VAL A 153 -0.060 3.775 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.891 2.298 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.356 0.991 -2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.190 1.845 0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.070 2.684 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.576 3.481 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.325 0.941 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -3.820 2.536 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -3.776 1.133 -2.488 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.587 4.080 -4.215 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.686 5.037 -4.286 1.00 0.00 C ATOM 1192 C VAL A 154 -5.995 4.413 -3.814 1.00 0.00 C ATOM 1193 O VAL A 154 -6.337 3.295 -4.200 1.00 0.00 O ATOM 1194 CB VAL A 154 -4.876 5.561 -5.720 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.926 6.660 -5.755 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.554 6.056 -6.287 1.00 0.00 C ATOM 0 H VAL A 154 -3.428 3.559 -5.077 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.424 5.866 -3.629 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.227 4.739 -6.343 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -6.045 7.017 -6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.877 6.267 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.610 7.486 -5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.708 6.423 -7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -3.170 6.864 -5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -2.835 5.237 -6.302 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.725 5.149 -2.980 1.00 0.00 N ATOM 1207 CA ILE A 155 -8.001 4.681 -2.452 1.00 0.00 C ATOM 1208 C ILE A 155 -9.053 5.786 -2.505 1.00 0.00 C ATOM 1209 O ILE A 155 -8.756 6.947 -2.226 1.00 0.00 O ATOM 1210 CB ILE A 155 -7.861 4.198 -0.994 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -6.843 3.059 -0.900 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.210 3.757 -0.453 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -6.399 2.763 0.518 1.00 0.00 C ATOM 0 H ILE A 155 -6.452 6.076 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.317 3.846 -3.078 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.500 5.028 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -7.277 2.157 -1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -5.969 3.312 -1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -9.096 3.419 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -9.906 4.595 -0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.597 2.940 -1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -5.678 1.946 0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -5.936 3.651 0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -7.263 2.479 1.118 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.286 5.424 -2.860 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.370 6.398 -2.941 1.00 0.00 C ATOM 1227 C GLU A 156 -12.125 6.482 -1.619 1.00 0.00 C ATOM 1228 O GLU A 156 -12.465 7.609 -1.203 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.336 6.035 -4.070 1.00 0.00 C ATOM 1230 CG GLU A 156 -12.992 4.676 -3.894 1.00 0.00 C ATOM 1231 CD GLU A 156 -14.199 4.492 -4.795 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -14.765 5.510 -5.244 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -14.577 3.328 -5.050 1.00 0.00 O ATOM 1234 OXT GLU A 156 -12.372 5.419 -1.012 1.00 0.00 O ATOM 0 H GLU A 156 -10.556 4.469 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 156 -10.930 7.372 -3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -13.112 6.798 -4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -11.797 6.049 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -12.263 3.894 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -13.297 4.555 -2.854 1.00 0.00 H new