USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 MET CE :methyl -117:sc= -0.771 (180deg=-1.56) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 140:sc= -3.09! USER MOD Single : A 29 THR OG1 : rot 146:sc= 0.036 USER MOD Single : A 31 GLN : amide:sc= -2.41! X(o=-2.4!,f=-2.2) USER MOD Single : A 39 TYR OH : rot -89:sc= -3.78! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.725 K(o=-0.72,f=-6.3!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 72 MET CE :methyl -125:sc= -5.18! (180deg=-12.1!) USER MOD Single : A 74 GLN : amide:sc= 0.416 X(o=0.42,f=-0.065) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.73 K(o=-1.7,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 11 -3.665 12.993 9.270 1.00 0.00 N ATOM 108 CA ASP A 11 -2.982 12.785 8.004 1.00 0.00 C ATOM 109 C ASP A 11 -2.016 13.945 7.754 1.00 0.00 C ATOM 110 O ASP A 11 -2.036 14.941 8.476 1.00 0.00 O ATOM 111 CB ASP A 11 -3.977 12.740 6.843 1.00 0.00 C ATOM 112 CG ASP A 11 -5.308 12.055 7.158 1.00 0.00 C ATOM 113 OD1 ASP A 11 -5.253 10.906 7.646 1.00 0.00 O ATOM 114 OD2 ASP A 11 -6.350 12.696 6.903 1.00 0.00 O ATOM 0 HA ASP A 11 -2.449 11.836 8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.179 13.761 6.518 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.510 12.224 6.004 1.00 0.00 H new ATOM 119 N ASP A 12 -1.194 13.778 6.729 1.00 0.00 N ATOM 120 CA ASP A 12 -0.221 14.799 6.375 1.00 0.00 C ATOM 121 C ASP A 12 -0.177 14.948 4.853 1.00 0.00 C ATOM 122 O ASP A 12 -0.969 14.331 4.142 1.00 0.00 O ATOM 123 CB ASP A 12 1.179 14.415 6.854 1.00 0.00 C ATOM 124 CG ASP A 12 1.566 14.962 8.230 1.00 0.00 C ATOM 125 OD1 ASP A 12 0.697 15.618 8.843 1.00 0.00 O ATOM 126 OD2 ASP A 12 2.721 14.713 8.636 1.00 0.00 O ATOM 0 H ASP A 12 -1.181 12.951 6.132 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.521 15.732 6.852 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.252 13.328 6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.906 14.767 6.122 1.00 0.00 H new ATOM 131 N GLU A 13 0.756 15.770 4.399 1.00 0.00 N ATOM 132 CA GLU A 13 0.915 16.010 2.974 1.00 0.00 C ATOM 133 C GLU A 13 1.471 14.761 2.286 1.00 0.00 C ATOM 134 O GLU A 13 1.215 14.532 1.105 1.00 0.00 O ATOM 135 CB GLU A 13 1.811 17.223 2.717 1.00 0.00 C ATOM 136 CG GLU A 13 1.015 18.524 2.825 1.00 0.00 C ATOM 137 CD GLU A 13 1.931 19.741 2.676 1.00 0.00 C ATOM 138 OE1 GLU A 13 2.945 19.781 3.406 1.00 0.00 O ATOM 139 OE2 GLU A 13 1.597 20.604 1.836 1.00 0.00 O ATOM 0 H GLU A 13 1.411 16.279 4.993 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.065 16.230 2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.631 17.233 3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.257 17.147 1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.244 18.548 2.055 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.505 18.564 3.788 1.00 0.00 H new ATOM 146 N VAL A 14 2.223 13.986 3.053 1.00 0.00 N ATOM 147 CA VAL A 14 2.818 12.768 2.533 1.00 0.00 C ATOM 148 C VAL A 14 1.719 11.729 2.296 1.00 0.00 C ATOM 149 O VAL A 14 1.721 11.039 1.278 1.00 0.00 O ATOM 150 CB VAL A 14 3.913 12.272 3.480 1.00 0.00 C ATOM 151 CG1 VAL A 14 3.309 11.573 4.698 1.00 0.00 C ATOM 152 CG2 VAL A 14 4.895 11.354 2.751 1.00 0.00 C ATOM 0 H VAL A 14 2.434 14.179 4.032 1.00 0.00 H new ATOM 0 HA VAL A 14 3.299 12.959 1.574 1.00 0.00 H new ATOM 0 HB VAL A 14 4.468 13.141 3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.109 11.230 5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.670 12.271 5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.717 10.718 4.371 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.663 11.016 3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.360 10.491 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.363 11.899 1.932 1.00 0.00 H new ATOM 162 N VAL A 15 0.806 11.652 3.254 1.00 0.00 N ATOM 163 CA VAL A 15 -0.297 10.710 3.162 1.00 0.00 C ATOM 164 C VAL A 15 -1.125 11.021 1.914 1.00 0.00 C ATOM 165 O VAL A 15 -1.412 10.128 1.117 1.00 0.00 O ATOM 166 CB VAL A 15 -1.121 10.743 4.450 1.00 0.00 C ATOM 167 CG1 VAL A 15 -2.383 9.888 4.316 1.00 0.00 C ATOM 168 CG2 VAL A 15 -0.283 10.298 5.650 1.00 0.00 C ATOM 0 H VAL A 15 0.808 12.226 4.097 1.00 0.00 H new ATOM 0 HA VAL A 15 0.078 9.692 3.058 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.431 11.774 4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.951 9.929 5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.996 10.270 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.103 8.856 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.893 10.331 6.552 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.072 9.280 5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.571 10.966 5.765 1.00 0.00 H new ATOM 178 N ALA A 16 -1.485 12.288 1.782 1.00 0.00 N ATOM 179 CA ALA A 16 -2.274 12.728 0.644 1.00 0.00 C ATOM 180 C ALA A 16 -1.565 12.322 -0.650 1.00 0.00 C ATOM 181 O ALA A 16 -2.208 12.138 -1.682 1.00 0.00 O ATOM 182 CB ALA A 16 -2.504 14.238 0.735 1.00 0.00 C ATOM 0 H ALA A 16 -1.245 13.025 2.445 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.253 12.249 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.096 14.568 -0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.037 14.470 1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.543 14.753 0.731 1.00 0.00 H new ATOM 188 N MET A 17 -0.250 12.195 -0.552 1.00 0.00 N ATOM 189 CA MET A 17 0.552 11.815 -1.701 1.00 0.00 C ATOM 190 C MET A 17 0.426 10.318 -1.988 1.00 0.00 C ATOM 191 O MET A 17 -0.041 9.923 -3.055 1.00 0.00 O ATOM 192 CB MET A 17 2.019 12.162 -1.438 1.00 0.00 C ATOM 193 CG MET A 17 2.603 12.984 -2.589 1.00 0.00 C ATOM 194 SD MET A 17 3.765 14.182 -1.956 1.00 0.00 S ATOM 195 CE MET A 17 4.972 13.087 -1.227 1.00 0.00 C ATOM 0 H MET A 17 0.280 12.349 0.306 1.00 0.00 H new ATOM 0 HA MET A 17 0.189 12.364 -2.570 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.102 12.723 -0.507 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.596 11.246 -1.311 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.099 12.325 -3.302 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.802 13.491 -3.127 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.014 13.256 -0.151 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.689 12.052 -1.421 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.951 13.283 -1.663 1.00 0.00 H new ATOM 205 N ILE A 18 0.850 9.524 -1.016 1.00 0.00 N ATOM 206 CA ILE A 18 0.790 8.078 -1.149 1.00 0.00 C ATOM 207 C ILE A 18 -0.639 7.661 -1.500 1.00 0.00 C ATOM 208 O ILE A 18 -0.857 6.927 -2.462 1.00 0.00 O ATOM 209 CB ILE A 18 1.336 7.401 0.109 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.853 7.574 0.212 1.00 0.00 C ATOM 211 CG2 ILE A 18 0.923 5.928 0.162 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.280 7.821 1.661 1.00 0.00 C ATOM 0 H ILE A 18 1.237 9.855 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 18 1.430 7.744 -1.966 1.00 0.00 H new ATOM 0 HB ILE A 18 0.897 7.891 0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.351 6.683 -0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.170 8.410 -0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.324 5.470 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.165 5.855 0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.315 5.409 -0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.363 7.940 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.799 8.726 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.983 6.973 2.278 1.00 0.00 H new ATOM 224 N LYS A 19 -1.578 8.150 -0.702 1.00 0.00 N ATOM 225 CA LYS A 19 -2.980 7.837 -0.916 1.00 0.00 C ATOM 226 C LYS A 19 -3.297 7.935 -2.410 1.00 0.00 C ATOM 227 O LYS A 19 -3.915 7.035 -2.978 1.00 0.00 O ATOM 228 CB LYS A 19 -3.867 8.725 -0.041 1.00 0.00 C ATOM 229 CG LYS A 19 -4.155 8.054 1.304 1.00 0.00 C ATOM 230 CD LYS A 19 -5.470 8.561 1.899 1.00 0.00 C ATOM 231 CE LYS A 19 -5.498 8.363 3.416 1.00 0.00 C ATOM 232 NZ LYS A 19 -6.465 9.293 4.042 1.00 0.00 N ATOM 0 H LYS A 19 -1.394 8.761 0.094 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.193 6.813 -0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.377 9.685 0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.805 8.931 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.204 6.973 1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.337 8.254 1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.596 9.618 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.307 8.032 1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.771 7.334 3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.503 8.531 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.472 9.146 5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.188 10.274 3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.416 9.114 3.660 1.00 0.00 H new ATOM 246 N GLU A 20 -2.858 9.035 -3.005 1.00 0.00 N ATOM 247 CA GLU A 20 -3.088 9.262 -4.421 1.00 0.00 C ATOM 248 C GLU A 20 -2.535 8.095 -5.242 1.00 0.00 C ATOM 249 O GLU A 20 -3.294 7.351 -5.859 1.00 0.00 O ATOM 250 CB GLU A 20 -2.472 10.588 -4.871 1.00 0.00 C ATOM 251 CG GLU A 20 -3.559 11.627 -5.159 1.00 0.00 C ATOM 252 CD GLU A 20 -2.942 12.987 -5.492 1.00 0.00 C ATOM 253 OE1 GLU A 20 -2.277 13.067 -6.548 1.00 0.00 O ATOM 254 OE2 GLU A 20 -3.149 13.917 -4.682 1.00 0.00 O ATOM 0 H GLU A 20 -2.344 9.778 -2.532 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.163 9.323 -4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.801 10.963 -4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.870 10.429 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.178 11.291 -5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.214 11.723 -4.293 1.00 0.00 H new ATOM 261 N LEU A 21 -1.215 7.972 -5.223 1.00 0.00 N ATOM 262 CA LEU A 21 -0.552 6.909 -5.958 1.00 0.00 C ATOM 263 C LEU A 21 -1.346 5.611 -5.796 1.00 0.00 C ATOM 264 O LEU A 21 -1.304 4.742 -6.665 1.00 0.00 O ATOM 265 CB LEU A 21 0.911 6.792 -5.526 1.00 0.00 C ATOM 266 CG LEU A 21 1.953 7.188 -6.575 1.00 0.00 C ATOM 267 CD1 LEU A 21 3.370 6.906 -6.073 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.672 6.503 -7.914 1.00 0.00 C ATOM 0 H LEU A 21 -0.588 8.591 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.529 7.139 -7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.059 7.413 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.100 5.761 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 21 1.878 8.263 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.091 7.196 -6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.555 7.478 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.476 5.842 -5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.427 6.802 -8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.703 5.421 -7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.686 6.797 -8.273 1.00 0.00 H new ATOM 280 N LEU A 22 -2.050 5.521 -4.678 1.00 0.00 N ATOM 281 CA LEU A 22 -2.853 4.344 -4.392 1.00 0.00 C ATOM 282 C LEU A 22 -4.216 4.484 -5.071 1.00 0.00 C ATOM 283 O LEU A 22 -4.634 3.601 -5.820 1.00 0.00 O ATOM 284 CB LEU A 22 -2.940 4.109 -2.883 1.00 0.00 C ATOM 285 CG LEU A 22 -1.718 3.453 -2.235 1.00 0.00 C ATOM 286 CD1 LEU A 22 -1.917 1.943 -2.093 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.440 3.794 -3.003 1.00 0.00 C ATOM 0 H LEU A 22 -2.081 6.244 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.381 3.452 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.114 5.068 -2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.812 3.486 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.606 3.858 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.034 1.502 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.790 1.748 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.069 1.502 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.413 3.315 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.525 3.436 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.295 4.874 -3.007 1.00 0.00 H new ATOM 299 N ASP A 23 -4.872 5.599 -4.787 1.00 0.00 N ATOM 300 CA ASP A 23 -6.180 5.866 -5.362 1.00 0.00 C ATOM 301 C ASP A 23 -6.058 5.934 -6.885 1.00 0.00 C ATOM 302 O ASP A 23 -6.910 5.412 -7.603 1.00 0.00 O ATOM 303 CB ASP A 23 -6.734 7.205 -4.872 1.00 0.00 C ATOM 304 CG ASP A 23 -7.919 7.101 -3.910 1.00 0.00 C ATOM 305 OD1 ASP A 23 -9.051 6.947 -4.417 1.00 0.00 O ATOM 306 OD2 ASP A 23 -7.665 7.179 -2.688 1.00 0.00 O ATOM 0 H ASP A 23 -4.522 6.329 -4.166 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.853 5.064 -5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.932 7.754 -4.379 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.038 7.794 -5.737 1.00 0.00 H new ATOM 311 N THR A 24 -4.992 6.580 -7.334 1.00 0.00 N ATOM 312 CA THR A 24 -4.748 6.722 -8.760 1.00 0.00 C ATOM 313 C THR A 24 -5.208 5.469 -9.507 1.00 0.00 C ATOM 314 O THR A 24 -6.297 5.448 -10.079 1.00 0.00 O ATOM 315 CB THR A 24 -3.263 7.035 -8.956 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.597 6.118 -8.092 1.00 0.00 O ATOM 317 CG2 THR A 24 -2.878 8.411 -8.408 1.00 0.00 C ATOM 0 H THR A 24 -4.287 7.011 -6.736 1.00 0.00 H new ATOM 0 HA THR A 24 -5.327 7.544 -9.181 1.00 0.00 H new ATOM 0 HB THR A 24 -3.019 6.985 -10.017 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.794 5.774 -8.536 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.814 8.583 -8.572 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.454 9.181 -8.921 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.091 8.450 -7.340 1.00 0.00 H new ATOM 325 N ARG A 25 -4.356 4.455 -9.478 1.00 0.00 N ATOM 326 CA ARG A 25 -4.662 3.202 -10.147 1.00 0.00 C ATOM 327 C ARG A 25 -3.750 2.087 -9.628 1.00 0.00 C ATOM 328 O ARG A 25 -3.121 1.380 -10.412 1.00 0.00 O ATOM 329 CB ARG A 25 -4.489 3.328 -11.662 1.00 0.00 C ATOM 330 CG ARG A 25 -3.080 3.808 -12.014 1.00 0.00 C ATOM 331 CD ARG A 25 -3.070 4.533 -13.361 1.00 0.00 C ATOM 332 NE ARG A 25 -1.877 4.134 -14.142 1.00 0.00 N ATOM 333 CZ ARG A 25 -1.492 4.726 -15.281 1.00 0.00 C ATOM 334 NH1 ARG A 25 -2.203 5.746 -15.779 1.00 0.00 N ATOM 335 NH2 ARG A 25 -0.395 4.298 -15.921 1.00 0.00 N ATOM 0 H ARG A 25 -3.454 4.475 -9.002 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.702 2.957 -9.931 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.677 2.364 -12.135 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.225 4.027 -12.059 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.714 4.476 -11.234 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.400 2.957 -12.050 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.976 4.295 -13.918 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.067 5.611 -13.203 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.313 3.360 -13.791 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.037 6.072 -15.291 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.910 6.197 -16.646 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.147 3.522 -15.541 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.102 4.749 -16.788 1.00 0.00 H new ATOM 349 N ILE A 26 -3.709 1.967 -8.309 1.00 0.00 N ATOM 350 CA ILE A 26 -2.885 0.951 -7.676 1.00 0.00 C ATOM 351 C ILE A 26 -3.738 0.151 -6.689 1.00 0.00 C ATOM 352 O ILE A 26 -3.697 -1.079 -6.683 1.00 0.00 O ATOM 353 CB ILE A 26 -1.644 1.585 -7.044 1.00 0.00 C ATOM 354 CG1 ILE A 26 -0.685 2.104 -8.117 1.00 0.00 C ATOM 355 CG2 ILE A 26 -0.957 0.609 -6.086 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.530 2.783 -7.485 1.00 0.00 C ATOM 0 H ILE A 26 -4.233 2.556 -7.662 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.511 0.246 -8.419 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.963 2.445 -6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.357 1.277 -8.747 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.205 2.811 -8.764 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.078 1.084 -5.651 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.650 0.330 -5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.653 -0.284 -6.632 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.195 3.143 -8.270 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.200 3.624 -6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.062 2.067 -6.858 1.00 0.00 H new ATOM 368 N ARG A 27 -4.488 0.881 -5.878 1.00 0.00 N ATOM 369 CA ARG A 27 -5.349 0.254 -4.889 1.00 0.00 C ATOM 370 C ARG A 27 -6.503 -0.478 -5.577 1.00 0.00 C ATOM 371 O ARG A 27 -6.764 -1.644 -5.287 1.00 0.00 O ATOM 372 CB ARG A 27 -5.919 1.291 -3.919 1.00 0.00 C ATOM 373 CG ARG A 27 -7.390 1.006 -3.612 1.00 0.00 C ATOM 374 CD ARG A 27 -7.945 2.012 -2.601 1.00 0.00 C ATOM 375 NE ARG A 27 -8.487 1.298 -1.423 1.00 0.00 N ATOM 376 CZ ARG A 27 -8.702 1.873 -0.231 1.00 0.00 C ATOM 377 NH1 ARG A 27 -8.421 3.170 -0.053 1.00 0.00 N ATOM 378 NH2 ARG A 27 -9.196 1.148 0.782 1.00 0.00 N ATOM 0 H ARG A 27 -4.518 1.901 -5.885 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.745 -0.459 -4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.343 1.284 -2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.820 2.288 -4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.972 1.051 -4.532 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.494 -0.005 -3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.158 2.699 -2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.728 2.612 -3.065 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.711 0.308 -1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.043 3.721 -0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.585 3.607 0.854 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.408 0.160 0.646 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.360 1.585 1.689 1.00 0.00 H new ATOM 392 N PRO A 28 -7.181 0.257 -6.500 1.00 0.00 N ATOM 393 CA PRO A 28 -8.301 -0.310 -7.232 1.00 0.00 C ATOM 394 C PRO A 28 -7.816 -1.282 -8.310 1.00 0.00 C ATOM 395 O PRO A 28 -8.622 -1.934 -8.971 1.00 0.00 O ATOM 396 CB PRO A 28 -9.045 0.886 -7.801 1.00 0.00 C ATOM 397 CG PRO A 28 -8.062 2.046 -7.761 1.00 0.00 C ATOM 398 CD PRO A 28 -6.900 1.640 -6.869 1.00 0.00 C ATOM 0 HA PRO A 28 -8.958 -0.906 -6.599 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.377 0.690 -8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.935 1.108 -7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.709 2.282 -8.765 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.545 2.943 -7.374 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.949 1.724 -7.395 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.835 2.279 -5.989 1.00 0.00 H new ATOM 406 N THR A 29 -6.501 -1.348 -8.453 1.00 0.00 N ATOM 407 CA THR A 29 -5.898 -2.228 -9.440 1.00 0.00 C ATOM 408 C THR A 29 -5.462 -3.541 -8.787 1.00 0.00 C ATOM 409 O THR A 29 -5.699 -4.618 -9.331 1.00 0.00 O ATOM 410 CB THR A 29 -4.751 -1.472 -10.111 1.00 0.00 C ATOM 411 OG1 THR A 29 -5.394 -0.669 -11.097 1.00 0.00 O ATOM 412 CG2 THR A 29 -3.836 -2.394 -10.921 1.00 0.00 C ATOM 0 H THR A 29 -5.835 -0.806 -7.902 1.00 0.00 H new ATOM 0 HA THR A 29 -6.615 -2.508 -10.212 1.00 0.00 H new ATOM 0 HB THR A 29 -4.165 -0.954 -9.352 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.915 0.181 -11.190 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.039 -1.807 -11.376 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.402 -3.146 -10.262 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.415 -2.887 -11.702 1.00 0.00 H new ATOM 420 N VAL A 30 -4.830 -3.407 -7.629 1.00 0.00 N ATOM 421 CA VAL A 30 -4.357 -4.570 -6.896 1.00 0.00 C ATOM 422 C VAL A 30 -5.551 -5.286 -6.260 1.00 0.00 C ATOM 423 O VAL A 30 -5.649 -6.510 -6.322 1.00 0.00 O ATOM 424 CB VAL A 30 -3.299 -4.149 -5.875 1.00 0.00 C ATOM 425 CG1 VAL A 30 -2.658 -5.372 -5.214 1.00 0.00 C ATOM 426 CG2 VAL A 30 -2.238 -3.256 -6.521 1.00 0.00 C ATOM 0 H VAL A 30 -4.635 -2.512 -7.181 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.875 -5.278 -7.570 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.796 -3.569 -5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.909 -5.045 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.425 -5.953 -4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.182 -5.990 -5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.498 -2.971 -5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.747 -3.800 -7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.712 -2.360 -6.922 1.00 0.00 H new ATOM 436 N GLN A 31 -6.427 -4.492 -5.663 1.00 0.00 N ATOM 437 CA GLN A 31 -7.610 -5.034 -5.016 1.00 0.00 C ATOM 438 C GLN A 31 -8.444 -5.833 -6.019 1.00 0.00 C ATOM 439 O GLN A 31 -9.048 -6.845 -5.664 1.00 0.00 O ATOM 440 CB GLN A 31 -8.441 -3.923 -4.372 1.00 0.00 C ATOM 441 CG GLN A 31 -9.439 -3.335 -5.373 1.00 0.00 C ATOM 442 CD GLN A 31 -10.287 -2.241 -4.723 1.00 0.00 C ATOM 443 OE1 GLN A 31 -10.426 -2.163 -3.514 1.00 0.00 O ATOM 444 NE2 GLN A 31 -10.845 -1.402 -5.591 1.00 0.00 N ATOM 0 H GLN A 31 -6.341 -3.477 -5.614 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.289 -5.708 -4.222 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.976 -4.318 -3.509 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.781 -3.136 -4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.902 -2.924 -6.228 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.087 -4.125 -5.753 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.688 -1.524 -6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.430 -0.637 -5.256 1.00 0.00 H new ATOM 453 N GLU A 32 -8.452 -5.349 -7.252 1.00 0.00 N ATOM 454 CA GLU A 32 -9.202 -6.005 -8.309 1.00 0.00 C ATOM 455 C GLU A 32 -8.688 -7.431 -8.519 1.00 0.00 C ATOM 456 O GLU A 32 -9.434 -8.305 -8.955 1.00 0.00 O ATOM 457 CB GLU A 32 -9.135 -5.201 -9.610 1.00 0.00 C ATOM 458 CG GLU A 32 -10.504 -4.620 -9.967 1.00 0.00 C ATOM 459 CD GLU A 32 -10.371 -3.200 -10.521 1.00 0.00 C ATOM 460 OE1 GLU A 32 -9.408 -2.978 -11.288 1.00 0.00 O ATOM 461 OE2 GLU A 32 -11.233 -2.369 -10.165 1.00 0.00 O ATOM 0 H GLU A 32 -7.951 -4.510 -7.543 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.248 -6.057 -8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.410 -4.394 -9.506 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.785 -5.841 -10.420 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.992 -5.257 -10.704 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.141 -4.611 -9.082 1.00 0.00 H new ATOM 468 N ASP A 33 -7.417 -7.621 -8.197 1.00 0.00 N ATOM 469 CA ASP A 33 -6.795 -8.926 -8.344 1.00 0.00 C ATOM 470 C ASP A 33 -7.605 -9.963 -7.565 1.00 0.00 C ATOM 471 O ASP A 33 -8.159 -10.891 -8.152 1.00 0.00 O ATOM 472 CB ASP A 33 -5.371 -8.922 -7.787 1.00 0.00 C ATOM 473 CG ASP A 33 -4.508 -10.113 -8.210 1.00 0.00 C ATOM 474 OD1 ASP A 33 -5.025 -11.248 -8.123 1.00 0.00 O ATOM 475 OD2 ASP A 33 -3.351 -9.862 -8.612 1.00 0.00 O ATOM 0 H ASP A 33 -6.801 -6.893 -7.835 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.766 -9.168 -9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.876 -8.004 -8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.423 -8.898 -6.698 1.00 0.00 H new ATOM 480 N GLY A 34 -7.649 -9.771 -6.255 1.00 0.00 N ATOM 481 CA GLY A 34 -8.381 -10.678 -5.390 1.00 0.00 C ATOM 482 C GLY A 34 -8.365 -10.187 -3.940 1.00 0.00 C ATOM 483 O GLY A 34 -9.361 -10.309 -3.229 1.00 0.00 O ATOM 0 H GLY A 34 -7.189 -9.000 -5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.411 -10.765 -5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.941 -11.674 -5.445 1.00 0.00 H new ATOM 487 N GLY A 35 -7.223 -9.644 -3.546 1.00 0.00 N ATOM 488 CA GLY A 35 -7.063 -9.134 -2.195 1.00 0.00 C ATOM 489 C GLY A 35 -7.543 -7.684 -2.095 1.00 0.00 C ATOM 490 O GLY A 35 -8.240 -7.195 -2.984 1.00 0.00 O ATOM 0 H GLY A 35 -6.399 -9.546 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.626 -9.756 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.015 -9.195 -1.901 1.00 0.00 H new ATOM 494 N ASP A 36 -7.152 -7.039 -1.007 1.00 0.00 N ATOM 495 CA ASP A 36 -7.533 -5.656 -0.780 1.00 0.00 C ATOM 496 C ASP A 36 -6.386 -4.923 -0.081 1.00 0.00 C ATOM 497 O ASP A 36 -6.091 -5.192 1.082 1.00 0.00 O ATOM 498 CB ASP A 36 -8.769 -5.565 0.118 1.00 0.00 C ATOM 499 CG ASP A 36 -9.870 -6.583 -0.192 1.00 0.00 C ATOM 500 OD1 ASP A 36 -10.527 -6.405 -1.240 1.00 0.00 O ATOM 501 OD2 ASP A 36 -10.027 -7.514 0.626 1.00 0.00 O ATOM 0 H ASP A 36 -6.575 -7.449 -0.272 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.756 -5.205 -1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.457 -5.694 1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.188 -4.562 0.034 1.00 0.00 H new ATOM 506 N VAL A 37 -5.772 -4.011 -0.819 1.00 0.00 N ATOM 507 CA VAL A 37 -4.664 -3.237 -0.284 1.00 0.00 C ATOM 508 C VAL A 37 -5.197 -1.924 0.292 1.00 0.00 C ATOM 509 O VAL A 37 -5.823 -1.140 -0.418 1.00 0.00 O ATOM 510 CB VAL A 37 -3.601 -3.029 -1.365 1.00 0.00 C ATOM 511 CG1 VAL A 37 -2.505 -2.078 -0.881 1.00 0.00 C ATOM 512 CG2 VAL A 37 -3.008 -4.366 -1.815 1.00 0.00 C ATOM 0 H VAL A 37 -6.020 -3.790 -1.783 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.179 -3.776 0.530 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.085 -2.570 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.763 -1.948 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.945 -1.112 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.026 -2.496 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.255 -4.190 -2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.547 -4.865 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.799 -4.997 -2.220 1.00 0.00 H new ATOM 522 N ILE A 38 -4.925 -1.725 1.574 1.00 0.00 N ATOM 523 CA ILE A 38 -5.369 -0.520 2.253 1.00 0.00 C ATOM 524 C ILE A 38 -4.228 0.023 3.116 1.00 0.00 C ATOM 525 O ILE A 38 -3.802 -0.628 4.069 1.00 0.00 O ATOM 526 CB ILE A 38 -6.656 -0.788 3.034 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.519 -1.835 2.326 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.424 0.510 3.289 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.117 -3.251 2.745 1.00 0.00 C ATOM 0 H ILE A 38 -4.403 -2.377 2.159 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.619 0.255 1.529 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.385 -1.198 4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.569 -1.666 2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.415 -1.728 1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.335 0.290 3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.802 1.194 3.866 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.684 0.972 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.746 -3.976 2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.073 -3.425 2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.246 -3.362 3.822 1.00 0.00 H new ATOM 541 N TYR A 39 -3.766 1.211 2.751 1.00 0.00 N ATOM 542 CA TYR A 39 -2.684 1.848 3.481 1.00 0.00 C ATOM 543 C TYR A 39 -3.178 2.415 4.812 1.00 0.00 C ATOM 544 O TYR A 39 -3.845 3.448 4.843 1.00 0.00 O ATOM 545 CB TYR A 39 -2.202 3.001 2.597 1.00 0.00 C ATOM 546 CG TYR A 39 -1.630 4.186 3.378 1.00 0.00 C ATOM 547 CD1 TYR A 39 -0.938 3.969 4.553 1.00 0.00 C ATOM 548 CD2 TYR A 39 -1.804 5.472 2.907 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.400 5.085 5.288 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.266 6.587 3.642 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.591 6.339 4.796 1.00 0.00 C ATOM 552 OH TYR A 39 -0.081 7.392 5.489 1.00 0.00 O ATOM 0 H TYR A 39 -4.121 1.748 1.960 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.894 1.129 3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.440 2.627 1.914 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.035 3.350 1.986 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.800 2.963 4.921 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.344 5.642 1.987 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.143 4.930 6.209 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.396 7.598 3.285 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.741 7.703 6.144 1.00 0.00 H new ATOM 562 N ARG A 40 -2.832 1.713 5.883 1.00 0.00 N ATOM 563 CA ARG A 40 -3.232 2.133 7.215 1.00 0.00 C ATOM 564 C ARG A 40 -2.013 2.207 8.136 1.00 0.00 C ATOM 565 O ARG A 40 -1.639 1.215 8.758 1.00 0.00 O ATOM 566 CB ARG A 40 -4.256 1.166 7.812 1.00 0.00 C ATOM 567 CG ARG A 40 -5.225 0.663 6.740 1.00 0.00 C ATOM 568 CD ARG A 40 -6.262 1.733 6.392 1.00 0.00 C ATOM 569 NE ARG A 40 -7.607 1.122 6.293 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.720 1.802 5.986 1.00 0.00 C ATOM 571 NH1 ARG A 40 -8.656 3.119 5.745 1.00 0.00 N ATOM 572 NH2 ARG A 40 -9.897 1.165 5.919 1.00 0.00 N ATOM 0 H ARG A 40 -2.279 0.856 5.854 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.687 3.120 7.130 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.741 0.320 8.267 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.813 1.664 8.606 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.670 0.385 5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.730 -0.236 7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.263 2.512 7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.000 2.211 5.448 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.692 0.121 6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.760 3.604 5.795 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.503 3.636 5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.946 0.163 6.102 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.744 1.682 5.685 1.00 0.00 H new ATOM 586 N GLY A 41 -1.429 3.395 8.196 1.00 0.00 N ATOM 587 CA GLY A 41 -0.260 3.613 9.032 1.00 0.00 C ATOM 588 C GLY A 41 0.985 3.864 8.179 1.00 0.00 C ATOM 589 O GLY A 41 1.237 3.143 7.214 1.00 0.00 O ATOM 0 H GLY A 41 -1.743 4.217 7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.433 4.465 9.690 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.098 2.745 9.671 1.00 0.00 H new ATOM 593 N PHE A 42 1.731 4.888 8.566 1.00 0.00 N ATOM 594 CA PHE A 42 2.944 5.243 7.848 1.00 0.00 C ATOM 595 C PHE A 42 4.032 5.719 8.812 1.00 0.00 C ATOM 596 O PHE A 42 3.930 6.804 9.382 1.00 0.00 O ATOM 597 CB PHE A 42 2.583 6.389 6.900 1.00 0.00 C ATOM 598 CG PHE A 42 3.757 6.892 6.057 1.00 0.00 C ATOM 599 CD1 PHE A 42 4.330 6.075 5.133 1.00 0.00 C ATOM 600 CD2 PHE A 42 4.227 8.156 6.232 1.00 0.00 C ATOM 601 CE1 PHE A 42 5.419 6.542 4.351 1.00 0.00 C ATOM 602 CE2 PHE A 42 5.316 8.622 5.450 1.00 0.00 C ATOM 603 CZ PHE A 42 5.889 7.805 4.525 1.00 0.00 C ATOM 0 H PHE A 42 1.519 5.483 9.367 1.00 0.00 H new ATOM 0 HA PHE A 42 3.326 4.375 7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.786 6.059 6.234 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.186 7.219 7.484 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.957 5.071 4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.772 8.805 6.966 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.874 5.893 3.617 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.690 9.626 5.589 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.717 8.160 3.929 1.00 0.00 H new ATOM 613 N GLU A 43 5.049 4.883 8.965 1.00 0.00 N ATOM 614 CA GLU A 43 6.155 5.206 9.851 1.00 0.00 C ATOM 615 C GLU A 43 7.476 4.729 9.245 1.00 0.00 C ATOM 616 O GLU A 43 7.520 3.696 8.577 1.00 0.00 O ATOM 617 CB GLU A 43 5.939 4.600 11.240 1.00 0.00 C ATOM 618 CG GLU A 43 5.163 5.562 12.143 1.00 0.00 C ATOM 619 CD GLU A 43 6.099 6.596 12.772 1.00 0.00 C ATOM 620 OE1 GLU A 43 6.481 7.535 12.041 1.00 0.00 O ATOM 621 OE2 GLU A 43 6.409 6.425 13.971 1.00 0.00 O ATOM 0 H GLU A 43 5.130 3.984 8.491 1.00 0.00 H new ATOM 0 HA GLU A 43 6.200 6.289 9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.394 3.660 11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.903 4.367 11.693 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.392 6.069 11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.655 5.001 12.927 1.00 0.00 H new ATOM 628 N ASP A 44 8.520 5.504 9.498 1.00 0.00 N ATOM 629 CA ASP A 44 9.840 5.174 8.985 1.00 0.00 C ATOM 630 C ASP A 44 9.746 4.910 7.481 1.00 0.00 C ATOM 631 O ASP A 44 10.604 4.239 6.911 1.00 0.00 O ATOM 632 CB ASP A 44 10.390 3.914 9.654 1.00 0.00 C ATOM 633 CG ASP A 44 11.795 3.504 9.204 1.00 0.00 C ATOM 634 OD1 ASP A 44 12.565 4.420 8.841 1.00 0.00 O ATOM 635 OD2 ASP A 44 12.068 2.285 9.233 1.00 0.00 O ATOM 0 H ASP A 44 8.479 6.360 10.051 1.00 0.00 H new ATOM 0 HA ASP A 44 10.504 6.013 9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.401 4.069 10.733 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.706 3.088 9.457 1.00 0.00 H new ATOM 640 N GLY A 45 8.695 5.451 6.882 1.00 0.00 N ATOM 641 CA GLY A 45 8.479 5.282 5.455 1.00 0.00 C ATOM 642 C GLY A 45 7.702 3.996 5.167 1.00 0.00 C ATOM 643 O GLY A 45 6.844 3.968 4.287 1.00 0.00 O ATOM 0 H GLY A 45 7.984 6.006 7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.930 6.138 5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.439 5.255 4.939 1.00 0.00 H new ATOM 647 N ILE A 46 8.031 2.962 5.927 1.00 0.00 N ATOM 648 CA ILE A 46 7.375 1.675 5.764 1.00 0.00 C ATOM 649 C ILE A 46 5.859 1.875 5.779 1.00 0.00 C ATOM 650 O ILE A 46 5.259 2.026 6.843 1.00 0.00 O ATOM 651 CB ILE A 46 7.875 0.682 6.815 1.00 0.00 C ATOM 652 CG1 ILE A 46 9.381 0.447 6.675 1.00 0.00 C ATOM 653 CG2 ILE A 46 7.083 -0.626 6.756 1.00 0.00 C ATOM 654 CD1 ILE A 46 9.678 -0.547 5.550 1.00 0.00 C ATOM 0 H ILE A 46 8.743 2.989 6.657 1.00 0.00 H new ATOM 0 HA ILE A 46 7.629 1.237 4.799 1.00 0.00 H new ATOM 0 HB ILE A 46 7.707 1.115 7.801 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.883 1.393 6.471 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.783 0.069 7.615 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.459 -1.314 7.514 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.029 -0.422 6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.196 -1.076 5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.755 -0.696 5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.195 -1.499 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.296 -0.154 4.607 1.00 0.00 H new ATOM 666 N VAL A 47 5.281 1.870 4.586 1.00 0.00 N ATOM 667 CA VAL A 47 3.845 2.049 4.449 1.00 0.00 C ATOM 668 C VAL A 47 3.131 0.773 4.901 1.00 0.00 C ATOM 669 O VAL A 47 3.441 -0.317 4.424 1.00 0.00 O ATOM 670 CB VAL A 47 3.504 2.449 3.014 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.988 2.517 2.809 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.166 3.777 2.642 1.00 0.00 C ATOM 0 H VAL A 47 5.781 1.745 3.706 1.00 0.00 H new ATOM 0 HA VAL A 47 3.497 2.859 5.090 1.00 0.00 H new ATOM 0 HB VAL A 47 3.899 1.680 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.773 2.804 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.549 1.540 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.562 3.255 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.907 4.038 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.815 4.559 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.248 3.681 2.730 1.00 0.00 H new ATOM 682 N ARG A 48 2.190 0.953 5.815 1.00 0.00 N ATOM 683 CA ARG A 48 1.429 -0.170 6.336 1.00 0.00 C ATOM 684 C ARG A 48 0.175 -0.402 5.490 1.00 0.00 C ATOM 685 O ARG A 48 -0.738 0.422 5.489 1.00 0.00 O ATOM 686 CB ARG A 48 1.017 0.070 7.790 1.00 0.00 C ATOM 687 CG ARG A 48 2.122 -0.368 8.753 1.00 0.00 C ATOM 688 CD ARG A 48 1.740 -0.058 10.202 1.00 0.00 C ATOM 689 NE ARG A 48 2.959 0.200 11.001 1.00 0.00 N ATOM 690 CZ ARG A 48 3.703 -0.760 11.569 1.00 0.00 C ATOM 691 NH1 ARG A 48 3.356 -2.047 11.428 1.00 0.00 N ATOM 692 NH2 ARG A 48 4.792 -0.434 12.277 1.00 0.00 N ATOM 0 H ARG A 48 1.937 1.859 6.208 1.00 0.00 H new ATOM 0 HA ARG A 48 2.069 -1.051 6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.797 1.127 7.940 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.101 -0.480 8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.304 -1.437 8.642 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.052 0.142 8.501 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.082 0.810 10.236 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.186 -0.894 10.628 1.00 0.00 H new ATOM 0 HE ARG A 48 3.251 1.169 11.127 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.527 -2.295 10.889 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.921 -2.778 11.860 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.056 0.545 12.385 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.357 -1.165 12.709 1.00 0.00 H new ATOM 706 N LEU A 49 0.173 -1.525 4.789 1.00 0.00 N ATOM 707 CA LEU A 49 -0.953 -1.875 3.939 1.00 0.00 C ATOM 708 C LEU A 49 -1.654 -3.109 4.512 1.00 0.00 C ATOM 709 O LEU A 49 -1.005 -3.995 5.064 1.00 0.00 O ATOM 710 CB LEU A 49 -0.499 -2.044 2.488 1.00 0.00 C ATOM 711 CG LEU A 49 0.270 -0.866 1.885 1.00 0.00 C ATOM 712 CD1 LEU A 49 -0.620 0.374 1.782 1.00 0.00 C ATOM 713 CD2 LEU A 49 1.552 -0.588 2.672 1.00 0.00 C ATOM 0 H LEU A 49 0.933 -2.205 4.792 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.685 -1.068 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.129 -2.933 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.379 -2.232 1.872 1.00 0.00 H new ATOM 0 HG LEU A 49 0.567 -1.134 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.050 1.196 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.478 0.154 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.968 0.656 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.079 0.253 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.300 -0.349 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.191 -1.471 2.650 1.00 0.00 H new ATOM 725 N LYS A 50 -2.970 -3.127 4.359 1.00 0.00 N ATOM 726 CA LYS A 50 -3.766 -4.238 4.853 1.00 0.00 C ATOM 727 C LYS A 50 -4.149 -5.146 3.682 1.00 0.00 C ATOM 728 O LYS A 50 -5.325 -5.259 3.339 1.00 0.00 O ATOM 729 CB LYS A 50 -4.966 -3.724 5.650 1.00 0.00 C ATOM 730 CG LYS A 50 -5.832 -4.883 6.147 1.00 0.00 C ATOM 731 CD LYS A 50 -6.923 -4.386 7.098 1.00 0.00 C ATOM 732 CE LYS A 50 -8.230 -4.129 6.347 1.00 0.00 C ATOM 733 NZ LYS A 50 -9.391 -4.524 7.176 1.00 0.00 N ATOM 0 H LYS A 50 -3.505 -2.390 3.900 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.185 -4.843 5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.618 -3.136 6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.564 -3.060 5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.289 -5.390 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.207 -5.616 6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.090 -5.124 7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.594 -3.469 7.587 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.305 -3.073 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.236 -4.690 5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.270 -4.343 6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.326 -5.537 7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.393 -3.970 8.056 1.00 0.00 H new ATOM 747 N LEU A 51 -3.135 -5.769 3.102 1.00 0.00 N ATOM 748 CA LEU A 51 -3.350 -6.664 1.978 1.00 0.00 C ATOM 749 C LEU A 51 -3.541 -8.091 2.496 1.00 0.00 C ATOM 750 O LEU A 51 -3.057 -8.433 3.574 1.00 0.00 O ATOM 751 CB LEU A 51 -2.217 -6.525 0.959 1.00 0.00 C ATOM 752 CG LEU A 51 -2.022 -7.709 0.009 1.00 0.00 C ATOM 753 CD1 LEU A 51 -3.236 -7.885 -0.905 1.00 0.00 C ATOM 754 CD2 LEU A 51 -0.723 -7.566 -0.786 1.00 0.00 C ATOM 0 H LEU A 51 -2.161 -5.672 3.389 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.262 -6.394 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.399 -5.631 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.285 -6.362 1.501 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.935 -8.616 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.071 -8.733 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.124 -8.066 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.379 -6.982 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.609 -8.420 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.755 -6.648 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.122 -7.527 -0.098 1.00 0.00 H new ATOM 988 N GLY A 68 6.881 -4.782 -7.969 1.00 0.00 N ATOM 989 CA GLY A 68 6.811 -3.732 -8.972 1.00 0.00 C ATOM 990 C GLY A 68 6.106 -2.493 -8.417 1.00 0.00 C ATOM 991 O GLY A 68 6.652 -1.392 -8.461 1.00 0.00 O ATOM 0 HA2 GLY A 68 7.817 -3.467 -9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.277 -4.097 -9.849 1.00 0.00 H new ATOM 995 N ILE A 69 4.902 -2.714 -7.909 1.00 0.00 N ATOM 996 CA ILE A 69 4.115 -1.628 -7.348 1.00 0.00 C ATOM 997 C ILE A 69 4.783 -1.131 -6.065 1.00 0.00 C ATOM 998 O ILE A 69 5.017 0.066 -5.906 1.00 0.00 O ATOM 999 CB ILE A 69 2.661 -2.064 -7.156 1.00 0.00 C ATOM 1000 CG1 ILE A 69 1.967 -2.271 -8.503 1.00 0.00 C ATOM 1001 CG2 ILE A 69 1.906 -1.074 -6.267 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.000 -3.455 -8.446 1.00 0.00 C ATOM 0 H ILE A 69 4.452 -3.629 -7.874 1.00 0.00 H new ATOM 0 HA ILE A 69 4.082 -0.785 -8.038 1.00 0.00 H new ATOM 0 HB ILE A 69 2.657 -3.026 -6.643 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.424 -1.367 -8.779 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.714 -2.444 -9.278 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.875 -1.407 -6.146 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.387 -1.022 -5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.917 -0.087 -6.730 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.520 -3.580 -9.417 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.550 -4.362 -8.194 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.240 -3.268 -7.687 1.00 0.00 H new ATOM 1014 N GLN A 70 5.073 -2.076 -5.182 1.00 0.00 N ATOM 1015 CA GLN A 70 5.711 -1.748 -3.918 1.00 0.00 C ATOM 1016 C GLN A 70 6.765 -0.658 -4.122 1.00 0.00 C ATOM 1017 O GLN A 70 6.862 0.273 -3.323 1.00 0.00 O ATOM 1018 CB GLN A 70 6.326 -2.993 -3.276 1.00 0.00 C ATOM 1019 CG GLN A 70 7.388 -2.609 -2.243 1.00 0.00 C ATOM 1020 CD GLN A 70 8.797 -2.823 -2.801 1.00 0.00 C ATOM 1021 OE1 GLN A 70 9.344 -1.994 -3.509 1.00 0.00 O ATOM 1022 NE2 GLN A 70 9.351 -3.977 -2.442 1.00 0.00 N ATOM 0 H GLN A 70 4.878 -3.068 -5.317 1.00 0.00 H new ATOM 0 HA GLN A 70 4.950 -1.366 -3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.545 -3.584 -2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.773 -3.621 -4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.261 -1.565 -1.956 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.256 -3.206 -1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.837 -4.626 -1.847 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.290 -4.213 -2.762 1.00 0.00 H new ATOM 1031 N ASN A 71 7.528 -0.810 -5.195 1.00 0.00 N ATOM 1032 CA ASN A 71 8.571 0.150 -5.512 1.00 0.00 C ATOM 1033 C ASN A 71 7.941 1.383 -6.167 1.00 0.00 C ATOM 1034 O ASN A 71 7.987 2.478 -5.607 1.00 0.00 O ATOM 1035 CB ASN A 71 9.582 -0.441 -6.496 1.00 0.00 C ATOM 1036 CG ASN A 71 10.515 0.642 -7.041 1.00 0.00 C ATOM 1037 OD1 ASN A 71 10.495 0.983 -8.212 1.00 0.00 O ATOM 1038 ND2 ASN A 71 11.332 1.161 -6.129 1.00 0.00 N ATOM 0 H ASN A 71 7.444 -1.583 -5.855 1.00 0.00 H new ATOM 0 HA ASN A 71 9.080 0.413 -4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.168 -1.215 -6.000 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.055 -0.920 -7.321 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.994 1.891 -6.394 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.297 0.830 -5.165 1.00 0.00 H new ATOM 1045 N MET A 72 7.369 1.163 -7.341 1.00 0.00 N ATOM 1046 CA MET A 72 6.732 2.243 -8.076 1.00 0.00 C ATOM 1047 C MET A 72 6.079 3.244 -7.122 1.00 0.00 C ATOM 1048 O MET A 72 6.065 4.445 -7.392 1.00 0.00 O ATOM 1049 CB MET A 72 5.670 1.664 -9.014 1.00 0.00 C ATOM 1050 CG MET A 72 4.852 2.778 -9.670 1.00 0.00 C ATOM 1051 SD MET A 72 3.349 3.056 -8.749 1.00 0.00 S ATOM 1052 CE MET A 72 2.251 1.937 -9.604 1.00 0.00 C ATOM 0 H MET A 72 7.333 0.254 -7.802 1.00 0.00 H new ATOM 0 HA MET A 72 7.495 2.765 -8.654 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.150 1.059 -9.783 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.008 1.002 -8.455 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.439 3.696 -9.710 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.613 2.507 -10.699 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.374 2.483 -9.953 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.769 1.500 -10.457 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.938 1.144 -8.924 1.00 0.00 H new ATOM 1062 N LEU A 73 5.554 2.716 -6.027 1.00 0.00 N ATOM 1063 CA LEU A 73 4.901 3.550 -5.031 1.00 0.00 C ATOM 1064 C LEU A 73 5.912 4.553 -4.471 1.00 0.00 C ATOM 1065 O LEU A 73 5.747 5.761 -4.633 1.00 0.00 O ATOM 1066 CB LEU A 73 4.236 2.684 -3.961 1.00 0.00 C ATOM 1067 CG LEU A 73 3.442 3.434 -2.890 1.00 0.00 C ATOM 1068 CD1 LEU A 73 4.312 3.723 -1.664 1.00 0.00 C ATOM 1069 CD2 LEU A 73 2.816 4.707 -3.462 1.00 0.00 C ATOM 0 H LEU A 73 5.567 1.720 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 73 4.096 4.128 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.566 1.980 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.008 2.095 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 73 2.624 2.794 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.723 4.257 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.668 2.784 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.165 4.335 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.257 5.221 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.602 5.362 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.142 4.446 -4.278 1.00 0.00 H new ATOM 1081 N GLN A 74 6.935 4.015 -3.824 1.00 0.00 N ATOM 1082 CA GLN A 74 7.972 4.848 -3.239 1.00 0.00 C ATOM 1083 C GLN A 74 8.865 5.432 -4.335 1.00 0.00 C ATOM 1084 O GLN A 74 9.408 6.525 -4.182 1.00 0.00 O ATOM 1085 CB GLN A 74 8.798 4.062 -2.220 1.00 0.00 C ATOM 1086 CG GLN A 74 9.950 3.321 -2.902 1.00 0.00 C ATOM 1087 CD GLN A 74 10.628 2.350 -1.933 1.00 0.00 C ATOM 1088 OE1 GLN A 74 11.748 2.552 -1.494 1.00 0.00 O ATOM 1089 NE2 GLN A 74 9.889 1.288 -1.626 1.00 0.00 N ATOM 0 H GLN A 74 7.068 3.012 -3.692 1.00 0.00 H new ATOM 0 HA GLN A 74 7.493 5.672 -2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.194 4.742 -1.466 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.158 3.348 -1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.574 2.774 -3.767 1.00 0.00 H new ATOM 0 HG3 GLN A 74 10.681 4.040 -3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.958 1.180 -2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.253 0.581 -0.987 1.00 0.00 H new ATOM 1098 N PHE A 75 8.991 4.676 -5.416 1.00 0.00 N ATOM 1099 CA PHE A 75 9.809 5.106 -6.538 1.00 0.00 C ATOM 1100 C PHE A 75 9.683 6.613 -6.764 1.00 0.00 C ATOM 1101 O PHE A 75 10.648 7.269 -7.154 1.00 0.00 O ATOM 1102 CB PHE A 75 9.291 4.371 -7.776 1.00 0.00 C ATOM 1103 CG PHE A 75 9.776 4.965 -9.100 1.00 0.00 C ATOM 1104 CD1 PHE A 75 9.216 6.108 -9.578 1.00 0.00 C ATOM 1105 CD2 PHE A 75 10.767 4.350 -9.799 1.00 0.00 C ATOM 1106 CE1 PHE A 75 9.666 6.660 -10.807 1.00 0.00 C ATOM 1107 CE2 PHE A 75 11.217 4.901 -11.028 1.00 0.00 C ATOM 1108 CZ PHE A 75 10.658 6.044 -11.506 1.00 0.00 C ATOM 0 H PHE A 75 8.541 3.769 -5.539 1.00 0.00 H new ATOM 0 HA PHE A 75 10.858 4.883 -6.341 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.601 3.327 -7.723 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.201 4.381 -7.763 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.429 6.596 -9.023 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.212 3.442 -9.419 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.221 7.568 -11.187 1.00 0.00 H new ATOM 0 HE2 PHE A 75 12.004 4.412 -11.583 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.001 6.463 -12.440 1.00 0.00 H new ATOM 1118 N TYR A 76 8.485 7.119 -6.509 1.00 0.00 N ATOM 1119 CA TYR A 76 8.221 8.538 -6.680 1.00 0.00 C ATOM 1120 C TYR A 76 8.478 9.304 -5.381 1.00 0.00 C ATOM 1121 O TYR A 76 9.237 10.272 -5.367 1.00 0.00 O ATOM 1122 CB TYR A 76 6.737 8.650 -7.039 1.00 0.00 C ATOM 1123 CG TYR A 76 6.402 8.172 -8.453 1.00 0.00 C ATOM 1124 CD1 TYR A 76 6.985 8.784 -9.544 1.00 0.00 C ATOM 1125 CD2 TYR A 76 5.514 7.131 -8.637 1.00 0.00 C ATOM 1126 CE1 TYR A 76 6.668 8.334 -10.875 1.00 0.00 C ATOM 1127 CE2 TYR A 76 5.198 6.682 -9.968 1.00 0.00 C ATOM 1128 CZ TYR A 76 5.791 7.306 -11.021 1.00 0.00 C ATOM 1129 OH TYR A 76 5.491 6.882 -12.279 1.00 0.00 O ATOM 0 H TYR A 76 7.687 6.572 -6.186 1.00 0.00 H new ATOM 0 HA TYR A 76 8.870 8.960 -7.447 1.00 0.00 H new ATOM 0 HB2 TYR A 76 6.156 8.069 -6.323 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.426 9.689 -6.934 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.678 9.600 -9.400 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.057 6.654 -7.783 1.00 0.00 H new ATOM 0 HE1 TYR A 76 7.117 8.803 -11.738 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.506 5.868 -10.127 1.00 0.00 H new ATOM 0 HH TYR A 76 4.852 6.141 -12.231 1.00 0.00 H new ATOM 1139 N ILE A 77 7.831 8.843 -4.321 1.00 0.00 N ATOM 1140 CA ILE A 77 7.981 9.472 -3.020 1.00 0.00 C ATOM 1141 C ILE A 77 9.211 8.894 -2.317 1.00 0.00 C ATOM 1142 O ILE A 77 9.304 7.685 -2.114 1.00 0.00 O ATOM 1143 CB ILE A 77 6.690 9.340 -2.209 1.00 0.00 C ATOM 1144 CG1 ILE A 77 5.485 9.832 -3.013 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.813 10.057 -0.863 1.00 0.00 C ATOM 1146 CD1 ILE A 77 4.175 9.510 -2.291 1.00 0.00 C ATOM 0 H ILE A 77 7.201 8.041 -4.337 1.00 0.00 H new ATOM 0 HA ILE A 77 8.152 10.543 -3.132 1.00 0.00 H new ATOM 0 HB ILE A 77 6.526 8.283 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.563 10.908 -3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.486 9.365 -3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.882 9.948 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.631 9.619 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.013 11.115 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.335 9.871 -2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.089 8.432 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.167 9.998 -1.316 1.00 0.00 H new ATOM 1158 N PRO A 78 10.149 9.809 -1.954 1.00 0.00 N ATOM 1159 CA PRO A 78 11.369 9.403 -1.279 1.00 0.00 C ATOM 1160 C PRO A 78 11.094 9.055 0.186 1.00 0.00 C ATOM 1161 O PRO A 78 11.947 8.480 0.861 1.00 0.00 O ATOM 1162 CB PRO A 78 12.319 10.579 -1.441 1.00 0.00 C ATOM 1163 CG PRO A 78 11.447 11.774 -1.793 1.00 0.00 C ATOM 1164 CD PRO A 78 10.073 11.251 -2.178 1.00 0.00 C ATOM 0 HA PRO A 78 11.802 8.497 -1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.877 10.760 -0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.051 10.385 -2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.372 12.455 -0.945 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.886 12.337 -2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.291 11.706 -1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.840 11.478 -3.218 1.00 0.00 H new ATOM 1172 N GLU A 79 9.901 9.417 0.633 1.00 0.00 N ATOM 1173 CA GLU A 79 9.503 9.150 2.005 1.00 0.00 C ATOM 1174 C GLU A 79 9.479 7.642 2.266 1.00 0.00 C ATOM 1175 O GLU A 79 10.370 7.108 2.925 1.00 0.00 O ATOM 1176 CB GLU A 79 8.145 9.782 2.315 1.00 0.00 C ATOM 1177 CG GLU A 79 8.078 11.219 1.794 1.00 0.00 C ATOM 1178 CD GLU A 79 7.931 12.214 2.947 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.357 11.853 4.067 1.00 0.00 O ATOM 1180 OE2 GLU A 79 7.397 13.313 2.684 1.00 0.00 O ATOM 0 H GLU A 79 9.197 9.893 0.070 1.00 0.00 H new ATOM 0 HA GLU A 79 10.237 9.603 2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.351 9.189 1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.973 9.773 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.980 11.446 1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.236 11.323 1.110 1.00 0.00 H new ATOM 1187 N VAL A 80 8.449 6.999 1.735 1.00 0.00 N ATOM 1188 CA VAL A 80 8.296 5.563 1.903 1.00 0.00 C ATOM 1189 C VAL A 80 9.625 4.874 1.588 1.00 0.00 C ATOM 1190 O VAL A 80 10.478 5.441 0.907 1.00 0.00 O ATOM 1191 CB VAL A 80 7.141 5.056 1.039 1.00 0.00 C ATOM 1192 CG1 VAL A 80 7.035 5.855 -0.261 1.00 0.00 C ATOM 1193 CG2 VAL A 80 7.286 3.560 0.752 1.00 0.00 C ATOM 0 H VAL A 80 7.713 7.446 1.188 1.00 0.00 H new ATOM 0 HA VAL A 80 8.041 5.323 2.935 1.00 0.00 H new ATOM 0 HB VAL A 80 6.217 5.202 1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.205 5.473 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.862 6.906 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.962 5.756 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.452 3.225 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.222 3.380 0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.288 3.008 1.692 1.00 0.00 H new ATOM 1203 N GLU A 81 9.761 3.659 2.101 1.00 0.00 N ATOM 1204 CA GLU A 81 10.972 2.886 1.883 1.00 0.00 C ATOM 1205 C GLU A 81 10.625 1.418 1.626 1.00 0.00 C ATOM 1206 O GLU A 81 11.146 0.808 0.694 1.00 0.00 O ATOM 1207 CB GLU A 81 11.931 3.023 3.066 1.00 0.00 C ATOM 1208 CG GLU A 81 12.485 4.446 3.161 1.00 0.00 C ATOM 1209 CD GLU A 81 14.014 4.444 3.113 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.547 4.287 1.993 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.616 4.599 4.198 1.00 0.00 O ATOM 0 H GLU A 81 9.053 3.192 2.667 1.00 0.00 H new ATOM 0 HA GLU A 81 11.477 3.280 1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.413 2.768 3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.753 2.316 2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.093 5.048 2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.147 4.910 4.088 1.00 0.00 H new ATOM 1218 N GLY A 82 9.748 0.894 2.469 1.00 0.00 N ATOM 1219 CA GLY A 82 9.325 -0.491 2.344 1.00 0.00 C ATOM 1220 C GLY A 82 7.813 -0.622 2.534 1.00 0.00 C ATOM 1221 O GLY A 82 7.139 0.352 2.865 1.00 0.00 O ATOM 0 H GLY A 82 9.318 1.403 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.606 -0.874 1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.842 -1.101 3.084 1.00 0.00 H new ATOM 1225 N VAL A 83 7.325 -1.833 2.315 1.00 0.00 N ATOM 1226 CA VAL A 83 5.904 -2.105 2.457 1.00 0.00 C ATOM 1227 C VAL A 83 5.700 -3.194 3.513 1.00 0.00 C ATOM 1228 O VAL A 83 6.612 -3.969 3.793 1.00 0.00 O ATOM 1229 CB VAL A 83 5.302 -2.469 1.098 1.00 0.00 C ATOM 1230 CG1 VAL A 83 5.534 -1.353 0.078 1.00 0.00 C ATOM 1231 CG2 VAL A 83 5.860 -3.800 0.591 1.00 0.00 C ATOM 0 H VAL A 83 7.888 -2.638 2.040 1.00 0.00 H new ATOM 0 HA VAL A 83 5.378 -1.215 2.802 1.00 0.00 H new ATOM 0 HB VAL A 83 4.226 -2.584 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.096 -1.638 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.067 -0.434 0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.605 -1.191 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.416 -4.036 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.942 -3.724 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.620 -4.590 1.303 1.00 0.00 H new ATOM 1241 N GLU A 84 4.497 -3.216 4.069 1.00 0.00 N ATOM 1242 CA GLU A 84 4.163 -4.197 5.087 1.00 0.00 C ATOM 1243 C GLU A 84 2.668 -4.522 5.040 1.00 0.00 C ATOM 1244 O GLU A 84 1.834 -3.620 4.990 1.00 0.00 O ATOM 1245 CB GLU A 84 4.573 -3.706 6.477 1.00 0.00 C ATOM 1246 CG GLU A 84 5.783 -4.484 6.999 1.00 0.00 C ATOM 1247 CD GLU A 84 5.464 -5.165 8.331 1.00 0.00 C ATOM 1248 OE1 GLU A 84 4.854 -6.254 8.281 1.00 0.00 O ATOM 1249 OE2 GLU A 84 5.838 -4.580 9.371 1.00 0.00 O ATOM 0 H GLU A 84 3.743 -2.571 3.834 1.00 0.00 H new ATOM 0 HA GLU A 84 4.721 -5.110 4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.810 -2.643 6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.738 -3.820 7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.082 -5.233 6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.628 -3.807 7.126 1.00 0.00 H new ATOM 1256 N GLN A 85 2.376 -5.815 5.058 1.00 0.00 N ATOM 1257 CA GLN A 85 0.997 -6.270 5.017 1.00 0.00 C ATOM 1258 C GLN A 85 0.433 -6.384 6.436 1.00 0.00 C ATOM 1259 O GLN A 85 0.327 -7.482 6.979 1.00 0.00 O ATOM 1260 CB GLN A 85 0.881 -7.602 4.273 1.00 0.00 C ATOM 1261 CG GLN A 85 -0.546 -8.148 4.346 1.00 0.00 C ATOM 1262 CD GLN A 85 -0.618 -9.371 5.263 1.00 0.00 C ATOM 1263 OE1 GLN A 85 0.322 -10.137 5.395 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -1.784 -9.511 5.889 1.00 0.00 N ATOM 0 H GLN A 85 3.071 -6.561 5.100 1.00 0.00 H new ATOM 0 HA GLN A 85 0.408 -5.533 4.471 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.170 -7.467 3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.573 -8.325 4.704 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.218 -7.373 4.714 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.888 -8.417 3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.531 -8.833 5.734 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -1.931 -10.296 6.524 1.00 0.00 H new ATOM 1273 N VAL A 86 0.087 -5.233 6.994 1.00 0.00 N ATOM 1274 CA VAL A 86 -0.462 -5.189 8.339 1.00 0.00 C ATOM 1275 C VAL A 86 -1.611 -6.194 8.448 1.00 0.00 C ATOM 1276 O VAL A 86 -2.341 -6.416 7.483 1.00 0.00 O ATOM 1277 CB VAL A 86 -0.884 -3.760 8.686 1.00 0.00 C ATOM 1278 CG1 VAL A 86 0.335 -2.843 8.801 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -1.882 -3.218 7.662 1.00 0.00 C ATOM 0 H VAL A 86 0.176 -4.324 6.540 1.00 0.00 H new ATOM 0 HA VAL A 86 0.294 -5.477 9.070 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.380 -3.783 9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.008 -1.833 9.048 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.996 -3.213 9.585 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.871 -2.829 7.852 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.165 -2.201 7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.424 -3.216 6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.770 -3.850 7.649 1.00 0.00 H new