USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 405 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -121:sc= 0.823 USER MOD Single : A 18 MET CE :methyl -118:sc= 0 (180deg=-0.149) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 68:sc= -0.667 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -2.49 K(o=-2.5,f=-9.9!) USER MOD Single : A 52 GLN : amide:sc=-0.00275 K(o=-0.0028,f=-1.2) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 56:sc= 0.247 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.938! F(o=-2.2,f=-0.94!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.425 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 54.664 7.578 -4.164 1.00 0.00 N ATOM 131 CA LYS A 10 54.686 6.108 -4.439 1.00 0.00 C ATOM 132 C LYS A 10 55.902 5.454 -3.771 1.00 0.00 C ATOM 133 O LYS A 10 56.602 6.074 -2.999 1.00 0.00 O ATOM 134 CB LYS A 10 54.766 5.976 -5.966 1.00 0.00 C ATOM 135 CG LYS A 10 56.025 6.678 -6.493 1.00 0.00 C ATOM 136 CD LYS A 10 55.638 7.982 -7.205 1.00 0.00 C ATOM 137 CE LYS A 10 56.638 9.084 -6.841 1.00 0.00 C ATOM 138 NZ LYS A 10 57.716 8.977 -7.863 1.00 0.00 N ATOM 0 HA LYS A 10 53.804 5.608 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.783 4.923 -6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.878 6.413 -6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.705 6.892 -5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 10 56.556 6.021 -7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 10 55.627 7.829 -8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 10 54.631 8.281 -6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 10 56.168 10.067 -6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 10 57.032 8.943 -5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 58.440 9.701 -7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 58.149 8.033 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 57.312 9.122 -8.810 1.00 0.00 H new ATOM 152 N VAL A 11 56.158 4.212 -4.091 1.00 0.00 N ATOM 153 CA VAL A 11 57.325 3.473 -3.514 1.00 0.00 C ATOM 154 C VAL A 11 57.470 2.161 -4.279 1.00 0.00 C ATOM 155 O VAL A 11 56.499 1.649 -4.792 1.00 0.00 O ATOM 156 CB VAL A 11 57.043 3.161 -2.031 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.486 4.337 -1.159 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.559 2.864 -1.801 1.00 0.00 C ATOM 0 H VAL A 11 55.595 3.665 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 11 58.234 4.069 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 11 57.611 2.273 -1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.284 4.110 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.554 4.508 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.936 5.232 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.390 2.648 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 11 54.965 3.730 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.263 2.003 -2.400 1.00 0.00 H new ATOM 168 N VAL A 12 58.648 1.601 -4.352 1.00 0.00 N ATOM 169 CA VAL A 12 58.810 0.310 -5.087 1.00 0.00 C ATOM 170 C VAL A 12 58.749 -0.849 -4.065 1.00 0.00 C ATOM 171 O VAL A 12 58.618 -0.623 -2.882 1.00 0.00 O ATOM 172 CB VAL A 12 60.192 0.447 -5.800 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.101 -0.778 -5.620 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.974 0.614 -7.292 1.00 0.00 C ATOM 0 H VAL A 12 59.501 1.978 -3.938 1.00 0.00 H new ATOM 0 HA VAL A 12 58.033 0.097 -5.821 1.00 0.00 H new ATOM 0 HB VAL A 12 60.678 1.309 -5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.043 -0.612 -6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.297 -0.933 -4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.609 -1.660 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.938 0.710 -7.792 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.448 -0.257 -7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.380 1.509 -7.475 1.00 0.00 H new ATOM 184 N ALA A 13 58.867 -2.077 -4.513 1.00 0.00 N ATOM 185 CA ALA A 13 58.843 -3.233 -3.563 1.00 0.00 C ATOM 186 C ALA A 13 60.123 -4.059 -3.720 1.00 0.00 C ATOM 187 O ALA A 13 60.582 -4.300 -4.821 1.00 0.00 O ATOM 188 CB ALA A 13 57.622 -4.061 -3.959 1.00 0.00 C ATOM 0 H ALA A 13 58.979 -2.328 -5.495 1.00 0.00 H new ATOM 0 HA ALA A 13 58.788 -2.911 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.542 -4.928 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.723 -3.451 -3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.729 -4.396 -4.991 1.00 0.00 H new ATOM 194 N LEU A 14 60.703 -4.488 -2.627 1.00 0.00 N ATOM 195 CA LEU A 14 61.958 -5.294 -2.709 1.00 0.00 C ATOM 196 C LEU A 14 61.647 -6.787 -2.575 1.00 0.00 C ATOM 197 O LEU A 14 62.346 -7.625 -3.115 1.00 0.00 O ATOM 198 CB LEU A 14 62.814 -4.817 -1.536 1.00 0.00 C ATOM 199 CG LEU A 14 63.149 -3.336 -1.716 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.849 -2.812 -0.460 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.074 -3.167 -2.922 1.00 0.00 C ATOM 0 H LEU A 14 60.361 -4.315 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 14 62.466 -5.164 -3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.280 -4.968 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.731 -5.404 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 14 62.230 -2.774 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.087 -1.756 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.191 -2.932 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.768 -3.374 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.314 -2.112 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 14 64.993 -3.730 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.576 -3.539 -3.818 1.00 0.00 H new ATOM 213 N TYR A 15 60.605 -7.124 -1.859 1.00 0.00 N ATOM 214 CA TYR A 15 60.245 -8.564 -1.685 1.00 0.00 C ATOM 215 C TYR A 15 58.724 -8.730 -1.635 1.00 0.00 C ATOM 216 O TYR A 15 57.983 -7.765 -1.643 1.00 0.00 O ATOM 217 CB TYR A 15 60.870 -8.973 -0.351 1.00 0.00 C ATOM 218 CG TYR A 15 62.372 -8.844 -0.436 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.141 -9.909 -0.920 1.00 0.00 C ATOM 220 CD2 TYR A 15 62.997 -7.659 -0.030 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.533 -9.790 -0.999 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.390 -7.539 -0.109 1.00 0.00 C ATOM 223 CZ TYR A 15 65.158 -8.604 -0.593 1.00 0.00 C ATOM 224 OH TYR A 15 66.531 -8.487 -0.671 1.00 0.00 O ATOM 0 H TYR A 15 59.987 -6.464 -1.387 1.00 0.00 H new ATOM 0 HA TYR A 15 60.605 -9.179 -2.510 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.485 -8.343 0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.596 -10.000 -0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.659 -10.824 -1.233 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.405 -6.837 0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.125 -10.612 -1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.872 -6.624 0.204 1.00 0.00 H new ATOM 0 HH TYR A 15 66.803 -7.601 -0.351 1.00 0.00 H new ATOM 234 N ASP A 16 58.258 -9.951 -1.589 1.00 0.00 N ATOM 235 CA ASP A 16 56.785 -10.200 -1.544 1.00 0.00 C ATOM 236 C ASP A 16 56.258 -10.084 -0.111 1.00 0.00 C ATOM 237 O ASP A 16 57.010 -10.136 0.844 1.00 0.00 O ATOM 238 CB ASP A 16 56.607 -11.626 -2.068 1.00 0.00 C ATOM 239 CG ASP A 16 56.439 -11.595 -3.587 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.438 -11.454 -4.273 1.00 0.00 O ATOM 241 OD2 ASP A 16 55.312 -11.714 -4.041 1.00 0.00 O ATOM 0 H ASP A 16 58.837 -10.791 -1.581 1.00 0.00 H new ATOM 0 HA ASP A 16 56.231 -9.473 -2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.471 -12.234 -1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.736 -12.089 -1.605 1.00 0.00 H new ATOM 246 N TYR A 17 54.967 -9.926 0.038 1.00 0.00 N ATOM 247 CA TYR A 17 54.366 -9.803 1.398 1.00 0.00 C ATOM 248 C TYR A 17 52.843 -9.959 1.284 1.00 0.00 C ATOM 249 O TYR A 17 52.090 -9.040 1.544 1.00 0.00 O ATOM 250 CB TYR A 17 54.770 -8.395 1.869 1.00 0.00 C ATOM 251 CG TYR A 17 54.048 -8.011 3.146 1.00 0.00 C ATOM 252 CD1 TYR A 17 53.960 -8.914 4.213 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.468 -6.741 3.257 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.292 -8.545 5.388 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.801 -6.373 4.430 1.00 0.00 C ATOM 256 CZ TYR A 17 52.713 -7.275 5.496 1.00 0.00 C ATOM 257 OH TYR A 17 52.057 -6.913 6.654 1.00 0.00 O ATOM 0 H TYR A 17 54.299 -9.877 -0.732 1.00 0.00 H new ATOM 0 HA TYR A 17 54.705 -10.562 2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 17 55.847 -8.360 2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.543 -7.669 1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.407 -9.894 4.130 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.536 -6.044 2.435 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.224 -9.241 6.211 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.354 -5.393 4.513 1.00 0.00 H new ATOM 0 HH TYR A 17 51.127 -6.687 6.446 1.00 0.00 H new ATOM 267 N MET A 18 52.395 -11.122 0.884 1.00 0.00 N ATOM 268 CA MET A 18 50.926 -11.358 0.736 1.00 0.00 C ATOM 269 C MET A 18 50.209 -11.148 2.083 1.00 0.00 C ATOM 270 O MET A 18 50.834 -11.235 3.121 1.00 0.00 O ATOM 271 CB MET A 18 50.786 -12.811 0.266 1.00 0.00 C ATOM 272 CG MET A 18 51.427 -13.755 1.290 1.00 0.00 C ATOM 273 SD MET A 18 50.898 -15.454 0.957 1.00 0.00 S ATOM 274 CE MET A 18 51.964 -15.747 -0.475 1.00 0.00 C ATOM 0 H MET A 18 52.985 -11.921 0.653 1.00 0.00 H new ATOM 0 HA MET A 18 50.474 -10.664 0.027 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.733 -13.061 0.138 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.264 -12.936 -0.706 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.513 -13.684 1.236 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.138 -13.464 2.300 1.00 0.00 H new ATOM 0 HE1 MET A 18 51.348 -15.942 -1.353 1.00 0.00 H new ATOM 0 HE2 MET A 18 52.583 -14.868 -0.654 1.00 0.00 H new ATOM 0 HE3 MET A 18 52.604 -16.608 -0.282 1.00 0.00 H new ATOM 284 N PRO A 19 48.917 -10.865 2.037 1.00 0.00 N ATOM 285 CA PRO A 19 48.155 -10.636 3.286 1.00 0.00 C ATOM 286 C PRO A 19 48.027 -11.925 4.103 1.00 0.00 C ATOM 287 O PRO A 19 48.232 -13.015 3.605 1.00 0.00 O ATOM 288 CB PRO A 19 46.785 -10.179 2.770 1.00 0.00 C ATOM 289 CG PRO A 19 46.816 -10.172 1.231 1.00 0.00 C ATOM 290 CD PRO A 19 48.152 -10.751 0.766 1.00 0.00 C ATOM 0 HA PRO A 19 48.631 -9.917 3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.003 -10.848 3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.551 -9.184 3.148 1.00 0.00 H new ATOM 0 HG2 PRO A 19 45.990 -10.761 0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.693 -9.156 0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.027 -11.719 0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.650 -10.097 0.050 1.00 0.00 H new ATOM 298 N MET A 20 47.674 -11.796 5.355 1.00 0.00 N ATOM 299 CA MET A 20 47.507 -12.993 6.228 1.00 0.00 C ATOM 300 C MET A 20 46.114 -12.964 6.856 1.00 0.00 C ATOM 301 O MET A 20 45.407 -13.954 6.878 1.00 0.00 O ATOM 302 CB MET A 20 48.581 -12.858 7.310 1.00 0.00 C ATOM 303 CG MET A 20 49.967 -12.846 6.664 1.00 0.00 C ATOM 304 SD MET A 20 50.576 -14.542 6.506 1.00 0.00 S ATOM 305 CE MET A 20 52.337 -14.171 6.698 1.00 0.00 C ATOM 0 H MET A 20 47.493 -10.903 5.813 1.00 0.00 H new ATOM 0 HA MET A 20 47.608 -13.930 5.680 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.426 -11.940 7.877 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.506 -13.685 8.016 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.918 -12.373 5.683 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.656 -12.256 7.268 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.913 -15.094 6.632 1.00 0.00 H new ATOM 0 HE2 MET A 20 52.653 -13.489 5.909 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.507 -13.706 7.669 1.00 0.00 H new ATOM 315 N ASN A 21 45.719 -11.823 7.355 1.00 0.00 N ATOM 316 CA ASN A 21 44.370 -11.692 7.980 1.00 0.00 C ATOM 317 C ASN A 21 43.476 -10.807 7.109 1.00 0.00 C ATOM 318 O ASN A 21 42.520 -11.266 6.514 1.00 0.00 O ATOM 319 CB ASN A 21 44.623 -11.033 9.337 1.00 0.00 C ATOM 320 CG ASN A 21 44.984 -12.106 10.365 1.00 0.00 C ATOM 321 OD1 ASN A 21 46.143 -12.302 10.674 1.00 0.00 O ATOM 322 ND2 ASN A 21 44.034 -12.813 10.914 1.00 0.00 N ATOM 0 H ASN A 21 46.277 -10.969 7.356 1.00 0.00 H new ATOM 0 HA ASN A 21 43.865 -12.652 8.085 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.431 -10.306 9.255 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.736 -10.489 9.660 1.00 0.00 H new ATOM 0 HD21 ASN A 21 44.264 -13.530 11.602 1.00 0.00 H new ATOM 0 HD22 ASN A 21 43.061 -12.649 10.655 1.00 0.00 H new ATOM 329 N ALA A 22 43.788 -9.539 7.032 1.00 0.00 N ATOM 330 CA ALA A 22 42.967 -8.605 6.200 1.00 0.00 C ATOM 331 C ALA A 22 43.667 -7.248 6.074 1.00 0.00 C ATOM 332 O ALA A 22 43.670 -6.637 5.021 1.00 0.00 O ATOM 333 CB ALA A 22 41.643 -8.455 6.951 1.00 0.00 C ATOM 0 H ALA A 22 44.579 -9.108 7.511 1.00 0.00 H new ATOM 0 HA ALA A 22 42.820 -8.982 5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.986 -7.782 6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.166 -9.430 7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.832 -8.046 7.943 1.00 0.00 H new ATOM 339 N ASN A 23 44.257 -6.777 7.140 1.00 0.00 N ATOM 340 CA ASN A 23 44.962 -5.457 7.096 1.00 0.00 C ATOM 341 C ASN A 23 46.076 -5.460 6.067 1.00 0.00 C ATOM 342 O ASN A 23 46.180 -4.575 5.244 1.00 0.00 O ATOM 343 CB ASN A 23 45.592 -5.277 8.470 1.00 0.00 C ATOM 344 CG ASN A 23 44.638 -4.507 9.384 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.217 -3.415 9.060 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.278 -5.034 10.522 1.00 0.00 N ATOM 0 H ASN A 23 44.283 -7.249 8.044 1.00 0.00 H new ATOM 0 HA ASN A 23 44.261 -4.665 6.834 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.820 -6.250 8.905 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.536 -4.739 8.379 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.643 -4.529 11.140 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.632 -5.951 10.794 1.00 0.00 H new ATOM 353 N ASP A 24 46.944 -6.427 6.164 1.00 0.00 N ATOM 354 CA ASP A 24 48.125 -6.502 5.255 1.00 0.00 C ATOM 355 C ASP A 24 47.761 -6.213 3.787 1.00 0.00 C ATOM 356 O ASP A 24 46.658 -6.472 3.345 1.00 0.00 O ATOM 357 CB ASP A 24 48.654 -7.925 5.411 1.00 0.00 C ATOM 358 CG ASP A 24 49.190 -8.122 6.831 1.00 0.00 C ATOM 359 OD1 ASP A 24 49.694 -7.163 7.394 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.087 -9.229 7.333 1.00 0.00 O ATOM 0 H ASP A 24 46.885 -7.183 6.847 1.00 0.00 H new ATOM 0 HA ASP A 24 48.866 -5.747 5.518 1.00 0.00 H new ATOM 0 HB2 ASP A 24 47.859 -8.643 5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.445 -8.111 4.684 1.00 0.00 H new ATOM 365 N LEU A 25 48.690 -5.665 3.044 1.00 0.00 N ATOM 366 CA LEU A 25 48.427 -5.338 1.610 1.00 0.00 C ATOM 367 C LEU A 25 49.127 -6.361 0.710 1.00 0.00 C ATOM 368 O LEU A 25 50.173 -6.884 1.047 1.00 0.00 O ATOM 369 CB LEU A 25 49.010 -3.928 1.407 1.00 0.00 C ATOM 370 CG LEU A 25 48.780 -3.480 -0.042 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.361 -2.925 -0.188 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.785 -2.386 -0.410 1.00 0.00 C ATOM 0 H LEU A 25 49.626 -5.429 3.373 1.00 0.00 H new ATOM 0 HA LEU A 25 47.367 -5.369 1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.538 -3.226 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.076 -3.928 1.633 1.00 0.00 H new ATOM 0 HG LEU A 25 48.911 -4.335 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.199 -2.607 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.639 -3.700 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.233 -2.073 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.618 -2.070 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.655 -1.533 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.799 -2.774 -0.309 1.00 0.00 H new ATOM 384 N GLN A 26 48.550 -6.658 -0.429 1.00 0.00 N ATOM 385 CA GLN A 26 49.169 -7.658 -1.355 1.00 0.00 C ATOM 386 C GLN A 26 50.342 -7.038 -2.112 1.00 0.00 C ATOM 387 O GLN A 26 50.186 -6.545 -3.214 1.00 0.00 O ATOM 388 CB GLN A 26 48.057 -8.048 -2.333 1.00 0.00 C ATOM 389 CG GLN A 26 46.869 -8.632 -1.566 1.00 0.00 C ATOM 390 CD GLN A 26 45.659 -8.733 -2.497 1.00 0.00 C ATOM 391 OE1 GLN A 26 45.751 -9.290 -3.572 1.00 0.00 O ATOM 392 NE2 GLN A 26 44.521 -8.211 -2.128 1.00 0.00 N ATOM 0 H GLN A 26 47.675 -6.250 -0.758 1.00 0.00 H new ATOM 0 HA GLN A 26 49.560 -8.519 -0.813 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.739 -7.175 -2.903 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.432 -8.778 -3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.124 -9.617 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 26 46.630 -8.002 -0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 26 44.443 -7.743 -1.225 1.00 0.00 H new ATOM 0 HE22 GLN A 26 43.709 -8.271 -2.743 1.00 0.00 H new ATOM 401 N LEU A 27 51.516 -7.068 -1.536 1.00 0.00 N ATOM 402 CA LEU A 27 52.703 -6.492 -2.223 1.00 0.00 C ATOM 403 C LEU A 27 53.404 -7.573 -3.054 1.00 0.00 C ATOM 404 O LEU A 27 52.958 -8.701 -3.130 1.00 0.00 O ATOM 405 CB LEU A 27 53.609 -5.995 -1.098 1.00 0.00 C ATOM 406 CG LEU A 27 53.071 -4.673 -0.561 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.061 -4.953 0.557 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.230 -3.839 -0.012 1.00 0.00 C ATOM 0 H LEU A 27 51.701 -7.469 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 27 52.439 -5.689 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.653 -6.734 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 27 54.626 -5.863 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 27 52.579 -4.123 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 27 51.675 -4.010 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.237 -5.548 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 27 52.552 -5.501 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 27 53.848 -2.893 0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 27 54.722 -4.385 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 27 54.947 -3.643 -0.809 1.00 0.00 H new ATOM 420 N ARG A 28 54.497 -7.225 -3.676 1.00 0.00 N ATOM 421 CA ARG A 28 55.257 -8.204 -4.518 1.00 0.00 C ATOM 422 C ARG A 28 56.538 -7.543 -5.038 1.00 0.00 C ATOM 423 O ARG A 28 56.570 -6.356 -5.304 1.00 0.00 O ATOM 424 CB ARG A 28 54.325 -8.579 -5.682 1.00 0.00 C ATOM 425 CG ARG A 28 53.885 -7.319 -6.438 1.00 0.00 C ATOM 426 CD ARG A 28 52.379 -7.376 -6.711 1.00 0.00 C ATOM 427 NE ARG A 28 52.203 -8.507 -7.663 1.00 0.00 N ATOM 428 CZ ARG A 28 51.878 -8.270 -8.904 1.00 0.00 C ATOM 429 NH1 ARG A 28 50.624 -8.123 -9.234 1.00 0.00 N ATOM 430 NH2 ARG A 28 52.808 -8.181 -9.816 1.00 0.00 N ATOM 0 H ARG A 28 54.905 -6.291 -3.638 1.00 0.00 H new ATOM 0 HA ARG A 28 55.549 -9.090 -3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.837 -9.259 -6.362 1.00 0.00 H new ATOM 0 HB3 ARG A 28 53.451 -9.107 -5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.124 -6.431 -5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.431 -7.238 -7.378 1.00 0.00 H new ATOM 0 HD2 ARG A 28 51.817 -7.543 -5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 28 52.020 -6.440 -7.139 1.00 0.00 H new ATOM 0 HE ARG A 28 52.336 -9.467 -7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 28 49.898 -8.193 -8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 28 50.370 -7.938 -10.204 1.00 0.00 H new ATOM 0 HH21 ARG A 28 53.788 -8.297 -9.558 1.00 0.00 H new ATOM 0 HH22 ARG A 28 52.555 -7.996 -10.786 1.00 0.00 H new ATOM 444 N LYS A 29 57.597 -8.301 -5.166 1.00 0.00 N ATOM 445 CA LYS A 29 58.892 -7.722 -5.649 1.00 0.00 C ATOM 446 C LYS A 29 58.733 -7.097 -7.043 1.00 0.00 C ATOM 447 O LYS A 29 57.912 -7.516 -7.836 1.00 0.00 O ATOM 448 CB LYS A 29 59.863 -8.906 -5.695 1.00 0.00 C ATOM 449 CG LYS A 29 61.251 -8.417 -6.115 1.00 0.00 C ATOM 450 CD LYS A 29 62.245 -9.578 -6.042 1.00 0.00 C ATOM 451 CE LYS A 29 62.115 -10.443 -7.298 1.00 0.00 C ATOM 452 NZ LYS A 29 62.413 -11.829 -6.843 1.00 0.00 N ATOM 0 H LYS A 29 57.623 -9.299 -4.957 1.00 0.00 H new ATOM 0 HA LYS A 29 59.246 -6.924 -4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.916 -9.384 -4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.503 -9.657 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.216 -8.017 -7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.575 -7.605 -5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 29 63.262 -9.195 -5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.054 -10.179 -5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.114 -10.374 -7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 29 62.813 -10.123 -8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 62.344 -12.482 -7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.375 -11.866 -6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 61.729 -12.109 -6.112 1.00 0.00 H new ATOM 466 N GLY A 30 59.527 -6.097 -7.340 1.00 0.00 N ATOM 467 CA GLY A 30 59.454 -5.426 -8.675 1.00 0.00 C ATOM 468 C GLY A 30 58.083 -4.775 -8.866 1.00 0.00 C ATOM 469 O GLY A 30 57.614 -4.613 -9.976 1.00 0.00 O ATOM 0 H GLY A 30 60.229 -5.714 -6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.237 -4.672 -8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.632 -6.154 -9.466 1.00 0.00 H new ATOM 473 N ASP A 31 57.453 -4.384 -7.793 1.00 0.00 N ATOM 474 CA ASP A 31 56.127 -3.723 -7.889 1.00 0.00 C ATOM 475 C ASP A 31 56.144 -2.467 -7.021 1.00 0.00 C ATOM 476 O ASP A 31 56.786 -2.438 -5.992 1.00 0.00 O ATOM 477 CB ASP A 31 55.119 -4.747 -7.360 1.00 0.00 C ATOM 478 CG ASP A 31 53.973 -4.911 -8.361 1.00 0.00 C ATOM 479 OD1 ASP A 31 54.177 -5.578 -9.362 1.00 0.00 O ATOM 480 OD2 ASP A 31 52.910 -4.365 -8.111 1.00 0.00 O ATOM 0 H ASP A 31 57.807 -4.497 -6.843 1.00 0.00 H new ATOM 0 HA ASP A 31 55.872 -3.421 -8.905 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.612 -5.705 -7.197 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.728 -4.422 -6.396 1.00 0.00 H new ATOM 485 N GLU A 32 55.470 -1.427 -7.430 1.00 0.00 N ATOM 486 CA GLU A 32 55.487 -0.172 -6.615 1.00 0.00 C ATOM 487 C GLU A 32 54.082 0.126 -6.089 1.00 0.00 C ATOM 488 O GLU A 32 53.106 -0.423 -6.568 1.00 0.00 O ATOM 489 CB GLU A 32 55.985 0.945 -7.549 1.00 0.00 C ATOM 490 CG GLU A 32 57.149 0.455 -8.424 1.00 0.00 C ATOM 491 CD GLU A 32 56.598 -0.165 -9.710 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.640 0.373 -10.239 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.144 -1.167 -10.142 1.00 0.00 O ATOM 0 H GLU A 32 54.913 -1.388 -8.284 1.00 0.00 H new ATOM 0 HA GLU A 32 56.139 -0.260 -5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.167 1.285 -8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.306 1.802 -6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.812 1.286 -8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.743 -0.279 -7.879 1.00 0.00 H new ATOM 500 N TYR A 33 53.977 0.950 -5.075 1.00 0.00 N ATOM 501 CA TYR A 33 52.638 1.235 -4.480 1.00 0.00 C ATOM 502 C TYR A 33 52.415 2.733 -4.267 1.00 0.00 C ATOM 503 O TYR A 33 53.163 3.569 -4.737 1.00 0.00 O ATOM 504 CB TYR A 33 52.659 0.537 -3.115 1.00 0.00 C ATOM 505 CG TYR A 33 53.225 -0.858 -3.241 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.653 -1.763 -4.137 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.339 -1.228 -2.482 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.195 -3.041 -4.277 1.00 0.00 C ATOM 509 CE2 TYR A 33 54.878 -2.508 -2.616 1.00 0.00 C ATOM 510 CZ TYR A 33 54.306 -3.414 -3.515 1.00 0.00 C ATOM 511 OH TYR A 33 54.850 -4.670 -3.667 1.00 0.00 O ATOM 0 H TYR A 33 54.759 1.435 -4.636 1.00 0.00 H new ATOM 0 HA TYR A 33 51.841 0.888 -5.137 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.258 1.117 -2.413 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.649 0.490 -2.709 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.792 -1.474 -4.721 1.00 0.00 H new ATOM 0 HD2 TYR A 33 54.782 -0.524 -1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.757 -3.741 -4.973 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.735 -2.799 -2.027 1.00 0.00 H new ATOM 0 HH TYR A 33 55.259 -4.744 -4.554 1.00 0.00 H new ATOM 521 N PHE A 34 51.381 3.057 -3.535 1.00 0.00 N ATOM 522 CA PHE A 34 51.060 4.486 -3.237 1.00 0.00 C ATOM 523 C PHE A 34 51.071 4.711 -1.722 1.00 0.00 C ATOM 524 O PHE A 34 50.453 3.972 -0.982 1.00 0.00 O ATOM 525 CB PHE A 34 49.654 4.697 -3.794 1.00 0.00 C ATOM 526 CG PHE A 34 49.741 5.172 -5.225 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.222 4.311 -6.219 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.340 6.471 -5.557 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.303 4.750 -7.546 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.421 6.910 -6.883 1.00 0.00 C ATOM 531 CZ PHE A 34 49.902 6.050 -7.879 1.00 0.00 C ATOM 0 H PHE A 34 50.736 2.382 -3.125 1.00 0.00 H new ATOM 0 HA PHE A 34 51.780 5.177 -3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.088 3.767 -3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.119 5.429 -3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.530 3.308 -5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 34 48.968 7.134 -4.790 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.675 4.086 -8.313 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.112 7.913 -7.139 1.00 0.00 H new ATOM 0 HZ PHE A 34 49.964 6.389 -8.903 1.00 0.00 H new ATOM 541 N ILE A 35 51.775 5.713 -1.254 1.00 0.00 N ATOM 542 CA ILE A 35 51.835 5.962 0.221 1.00 0.00 C ATOM 543 C ILE A 35 50.833 7.032 0.656 1.00 0.00 C ATOM 544 O ILE A 35 50.785 8.120 0.114 1.00 0.00 O ATOM 545 CB ILE A 35 53.266 6.443 0.491 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.282 5.397 0.014 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.461 6.696 1.990 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.058 4.061 0.731 1.00 0.00 C ATOM 0 H ILE A 35 52.309 6.367 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 35 51.582 5.061 0.779 1.00 0.00 H new ATOM 0 HB ILE A 35 53.427 7.371 -0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.190 5.258 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.295 5.753 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.480 7.037 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.758 7.459 2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.284 5.772 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.788 3.332 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.174 4.201 1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.052 3.698 0.519 1.00 0.00 H new ATOM 560 N LEU A 36 50.056 6.727 1.660 1.00 0.00 N ATOM 561 CA LEU A 36 49.068 7.710 2.191 1.00 0.00 C ATOM 562 C LEU A 36 49.502 8.155 3.594 1.00 0.00 C ATOM 563 O LEU A 36 49.230 9.261 4.021 1.00 0.00 O ATOM 564 CB LEU A 36 47.741 6.950 2.248 1.00 0.00 C ATOM 565 CG LEU A 36 47.242 6.687 0.826 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.893 5.413 0.284 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.722 6.513 0.847 1.00 0.00 C ATOM 0 H LEU A 36 50.064 5.827 2.141 1.00 0.00 H new ATOM 0 HA LEU A 36 48.987 8.606 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 36 47.872 6.007 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.002 7.528 2.803 1.00 0.00 H new ATOM 0 HG LEU A 36 47.505 7.529 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.538 5.225 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.976 5.535 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.630 4.570 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.363 6.325 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.461 5.670 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.257 7.420 1.234 1.00 0.00 H new ATOM 579 N GLU A 37 50.185 7.293 4.307 1.00 0.00 N ATOM 580 CA GLU A 37 50.663 7.629 5.681 1.00 0.00 C ATOM 581 C GLU A 37 51.601 6.521 6.168 1.00 0.00 C ATOM 582 O GLU A 37 51.311 5.349 6.009 1.00 0.00 O ATOM 583 CB GLU A 37 49.402 7.687 6.546 1.00 0.00 C ATOM 584 CG GLU A 37 49.614 8.677 7.693 1.00 0.00 C ATOM 585 CD GLU A 37 48.742 8.274 8.883 1.00 0.00 C ATOM 586 OE1 GLU A 37 47.642 7.800 8.654 1.00 0.00 O ATOM 587 OE2 GLU A 37 49.190 8.445 10.005 1.00 0.00 O ATOM 0 H GLU A 37 50.434 6.357 3.988 1.00 0.00 H new ATOM 0 HA GLU A 37 51.212 8.570 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 37 48.548 7.992 5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.175 6.698 6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 37 50.664 8.691 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.360 9.686 7.368 1.00 0.00 H new ATOM 653 N PRO A 42 57.914 1.915 10.702 1.00 0.00 N ATOM 654 CA PRO A 42 58.299 1.185 9.455 1.00 0.00 C ATOM 655 C PRO A 42 57.087 0.661 8.669 1.00 0.00 C ATOM 656 O PRO A 42 57.027 0.808 7.462 1.00 0.00 O ATOM 657 CB PRO A 42 59.170 0.044 9.992 1.00 0.00 C ATOM 658 CG PRO A 42 59.273 0.182 11.522 1.00 0.00 C ATOM 659 CD PRO A 42 58.662 1.529 11.930 1.00 0.00 C ATOM 0 HA PRO A 42 58.810 1.824 8.735 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.735 -0.920 9.728 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.162 0.081 9.541 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.747 -0.637 12.013 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.315 0.127 11.838 1.00 0.00 H new ATOM 0 HD2 PRO A 42 58.005 1.434 12.795 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.426 2.262 12.189 1.00 0.00 H new ATOM 667 N TRP A 43 56.128 0.064 9.326 1.00 0.00 N ATOM 668 CA TRP A 43 54.932 -0.453 8.588 1.00 0.00 C ATOM 669 C TRP A 43 54.008 0.719 8.242 1.00 0.00 C ATOM 670 O TRP A 43 53.632 1.498 9.095 1.00 0.00 O ATOM 671 CB TRP A 43 54.245 -1.413 9.557 1.00 0.00 C ATOM 672 CG TRP A 43 55.156 -2.549 9.872 1.00 0.00 C ATOM 673 CD1 TRP A 43 56.037 -2.546 10.881 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.289 -3.842 9.210 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.715 -3.751 10.895 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.288 -4.586 9.882 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.651 -4.436 8.106 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.640 -5.873 9.476 1.00 0.00 C ATOM 679 CZ3 TRP A 43 55.004 -5.732 7.694 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.995 -6.449 8.377 1.00 0.00 C ATOM 0 H TRP A 43 56.118 -0.089 10.334 1.00 0.00 H new ATOM 0 HA TRP A 43 55.195 -0.951 7.655 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.974 -0.888 10.473 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.320 -1.787 9.118 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.193 -1.732 11.573 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.440 -3.993 11.570 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.885 -3.893 7.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.405 -6.421 10.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.508 -6.179 6.845 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.260 -7.445 8.055 1.00 0.00 H new ATOM 691 N TRP A 44 53.664 0.868 6.988 1.00 0.00 N ATOM 692 CA TRP A 44 52.799 2.009 6.579 1.00 0.00 C ATOM 693 C TRP A 44 51.388 1.543 6.233 1.00 0.00 C ATOM 694 O TRP A 44 51.007 0.418 6.474 1.00 0.00 O ATOM 695 CB TRP A 44 53.457 2.556 5.310 1.00 0.00 C ATOM 696 CG TRP A 44 54.878 2.973 5.545 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.451 3.274 6.737 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.908 3.146 4.542 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.777 3.616 6.517 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.102 3.553 5.174 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.909 2.987 3.151 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.266 3.794 4.442 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.068 3.226 2.408 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.249 3.630 3.050 1.00 0.00 C ATOM 0 H TRP A 44 53.947 0.246 6.231 1.00 0.00 H new ATOM 0 HA TRP A 44 52.711 2.742 7.381 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.427 1.795 4.530 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.885 3.409 4.945 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.957 3.251 7.697 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.431 3.881 7.254 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.005 2.677 2.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.171 4.104 4.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.055 3.099 1.336 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.143 3.814 2.473 1.00 0.00 H new ATOM 715 N ARG A 45 50.634 2.416 5.625 1.00 0.00 N ATOM 716 CA ARG A 45 49.255 2.080 5.186 1.00 0.00 C ATOM 717 C ARG A 45 49.116 2.567 3.745 1.00 0.00 C ATOM 718 O ARG A 45 48.406 3.512 3.456 1.00 0.00 O ATOM 719 CB ARG A 45 48.326 2.851 6.123 1.00 0.00 C ATOM 720 CG ARG A 45 47.850 1.928 7.247 1.00 0.00 C ATOM 721 CD ARG A 45 46.563 2.486 7.858 1.00 0.00 C ATOM 722 NE ARG A 45 46.096 1.430 8.798 1.00 0.00 N ATOM 723 CZ ARG A 45 45.714 1.752 10.004 1.00 0.00 C ATOM 724 NH1 ARG A 45 46.472 2.509 10.748 1.00 0.00 N ATOM 725 NH2 ARG A 45 44.574 1.317 10.465 1.00 0.00 N ATOM 0 H ARG A 45 50.925 3.370 5.410 1.00 0.00 H new ATOM 0 HA ARG A 45 49.022 1.016 5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.848 3.712 6.542 1.00 0.00 H new ATOM 0 HB3 ARG A 45 47.471 3.236 5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 45 47.675 0.925 6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 45 48.621 1.843 8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.748 3.425 8.379 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.817 2.689 7.090 1.00 0.00 H new ATOM 0 HE ARG A 45 46.075 0.455 8.500 1.00 0.00 H new ATOM 0 HH11 ARG A 45 47.363 2.849 10.387 1.00 0.00 H new ATOM 0 HH12 ARG A 45 46.173 2.761 11.690 1.00 0.00 H new ATOM 0 HH21 ARG A 45 43.981 0.725 9.883 1.00 0.00 H new ATOM 0 HH22 ARG A 45 44.276 1.569 11.407 1.00 0.00 H new ATOM 739 N ALA A 46 49.831 1.942 2.848 1.00 0.00 N ATOM 740 CA ALA A 46 49.809 2.364 1.419 1.00 0.00 C ATOM 741 C ALA A 46 48.930 1.427 0.598 1.00 0.00 C ATOM 742 O ALA A 46 48.600 0.338 1.030 1.00 0.00 O ATOM 743 CB ALA A 46 51.274 2.258 0.967 1.00 0.00 C ATOM 0 H ALA A 46 50.437 1.146 3.049 1.00 0.00 H new ATOM 0 HA ALA A 46 49.403 3.367 1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.354 2.551 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.892 2.917 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.617 1.230 1.083 1.00 0.00 H new ATOM 749 N ARG A 47 48.556 1.839 -0.587 1.00 0.00 N ATOM 750 CA ARG A 47 47.708 0.964 -1.442 1.00 0.00 C ATOM 751 C ARG A 47 48.530 0.431 -2.607 1.00 0.00 C ATOM 752 O ARG A 47 49.526 1.016 -2.989 1.00 0.00 O ATOM 753 CB ARG A 47 46.586 1.850 -1.967 1.00 0.00 C ATOM 754 CG ARG A 47 45.633 2.193 -0.828 1.00 0.00 C ATOM 755 CD ARG A 47 44.896 3.496 -1.150 1.00 0.00 C ATOM 756 NE ARG A 47 43.585 3.379 -0.454 1.00 0.00 N ATOM 757 CZ ARG A 47 42.511 3.075 -1.131 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.444 1.941 -1.773 1.00 0.00 N ATOM 759 NH2 ARG A 47 41.505 3.905 -1.165 1.00 0.00 N ATOM 0 H ARG A 47 48.802 2.741 -0.995 1.00 0.00 H new ATOM 0 HA ARG A 47 47.320 0.111 -0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.000 2.763 -2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.047 1.338 -2.764 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.917 1.384 -0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.187 2.298 0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.454 4.363 -0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 47 44.763 3.619 -2.225 1.00 0.00 H new ATOM 0 HE ARG A 47 43.526 3.536 0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.231 1.292 -1.746 1.00 0.00 H new ATOM 0 HH12 ARG A 47 41.605 1.703 -2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 47 41.558 4.791 -0.663 1.00 0.00 H new ATOM 0 HH22 ARG A 47 40.666 3.668 -1.694 1.00 0.00 H new ATOM 773 N ASP A 48 48.120 -0.668 -3.174 1.00 0.00 N ATOM 774 CA ASP A 48 48.880 -1.241 -4.320 1.00 0.00 C ATOM 775 C ASP A 48 48.298 -0.739 -5.649 1.00 0.00 C ATOM 776 O ASP A 48 47.694 0.316 -5.709 1.00 0.00 O ATOM 777 CB ASP A 48 48.725 -2.759 -4.172 1.00 0.00 C ATOM 778 CG ASP A 48 47.248 -3.155 -4.279 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.454 -2.618 -3.525 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.939 -3.990 -5.113 1.00 0.00 O ATOM 0 H ASP A 48 47.292 -1.194 -2.894 1.00 0.00 H new ATOM 0 HA ASP A 48 49.929 -0.946 -4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.302 -3.267 -4.944 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.126 -3.081 -3.211 1.00 0.00 H new ATOM 785 N LYS A 49 48.483 -1.482 -6.714 1.00 0.00 N ATOM 786 CA LYS A 49 47.948 -1.045 -8.040 1.00 0.00 C ATOM 787 C LYS A 49 46.545 -1.618 -8.283 1.00 0.00 C ATOM 788 O LYS A 49 46.094 -1.702 -9.410 1.00 0.00 O ATOM 789 CB LYS A 49 48.936 -1.606 -9.066 1.00 0.00 C ATOM 790 CG LYS A 49 50.146 -0.674 -9.176 1.00 0.00 C ATOM 791 CD LYS A 49 49.942 0.301 -10.342 1.00 0.00 C ATOM 792 CE LYS A 49 49.449 1.649 -9.808 1.00 0.00 C ATOM 793 NZ LYS A 49 48.394 2.081 -10.768 1.00 0.00 N ATOM 0 H LYS A 49 48.981 -2.372 -6.721 1.00 0.00 H new ATOM 0 HA LYS A 49 47.854 0.039 -8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.258 -2.604 -8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.451 -1.705 -10.037 1.00 0.00 H new ATOM 0 HG2 LYS A 49 50.277 -0.121 -8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 49 51.054 -1.257 -9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.878 0.434 -10.885 1.00 0.00 H new ATOM 0 HD3 LYS A 49 49.219 -0.108 -11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 49 49.049 1.551 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 49 50.260 2.375 -9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 48.007 2.999 -10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 48.806 2.172 -11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 47.632 1.374 -10.787 1.00 0.00 H new ATOM 807 N ASN A 50 45.853 -2.004 -7.240 1.00 0.00 N ATOM 808 CA ASN A 50 44.484 -2.562 -7.409 1.00 0.00 C ATOM 809 C ASN A 50 43.444 -1.600 -6.829 1.00 0.00 C ATOM 810 O ASN A 50 42.305 -1.571 -7.258 1.00 0.00 O ATOM 811 CB ASN A 50 44.489 -3.880 -6.634 1.00 0.00 C ATOM 812 CG ASN A 50 45.483 -4.851 -7.276 1.00 0.00 C ATOM 813 OD1 ASN A 50 46.419 -4.437 -7.931 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.318 -6.135 -7.114 1.00 0.00 N ATOM 0 H ASN A 50 46.183 -1.955 -6.276 1.00 0.00 H new ATOM 0 HA ASN A 50 44.228 -2.710 -8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.761 -3.701 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.490 -4.316 -6.632 1.00 0.00 H new ATOM 0 HD21 ASN A 50 45.975 -6.791 -7.537 1.00 0.00 H new ATOM 0 HD22 ASN A 50 44.532 -6.483 -6.564 1.00 0.00 H new ATOM 821 N GLY A 51 43.829 -0.817 -5.853 1.00 0.00 N ATOM 822 CA GLY A 51 42.872 0.145 -5.233 1.00 0.00 C ATOM 823 C GLY A 51 42.550 -0.305 -3.806 1.00 0.00 C ATOM 824 O GLY A 51 41.476 -0.048 -3.295 1.00 0.00 O ATOM 0 H GLY A 51 44.769 -0.804 -5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.302 1.146 -5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.958 0.197 -5.824 1.00 0.00 H new ATOM 828 N GLN A 52 43.472 -0.977 -3.163 1.00 0.00 N ATOM 829 CA GLN A 52 43.229 -1.451 -1.771 1.00 0.00 C ATOM 830 C GLN A 52 44.384 -1.031 -0.857 1.00 0.00 C ATOM 831 O GLN A 52 45.543 -1.145 -1.215 1.00 0.00 O ATOM 832 CB GLN A 52 43.163 -2.973 -1.886 1.00 0.00 C ATOM 833 CG GLN A 52 41.718 -3.405 -2.138 1.00 0.00 C ATOM 834 CD GLN A 52 41.661 -4.924 -2.303 1.00 0.00 C ATOM 835 OE1 GLN A 52 42.630 -5.541 -2.703 1.00 0.00 O ATOM 836 NE2 GLN A 52 40.559 -5.560 -2.012 1.00 0.00 N ATOM 0 H GLN A 52 44.386 -1.217 -3.546 1.00 0.00 H new ATOM 0 HA GLN A 52 42.320 -1.031 -1.342 1.00 0.00 H new ATOM 0 HB2 GLN A 52 43.803 -3.315 -2.700 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.537 -3.434 -0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.084 -3.095 -1.307 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.332 -2.917 -3.033 1.00 0.00 H new ATOM 0 HE21 GLN A 52 39.746 -5.044 -1.676 1.00 0.00 H new ATOM 0 HE22 GLN A 52 40.511 -6.573 -2.120 1.00 0.00 H new ATOM 845 N GLU A 53 44.070 -0.549 0.320 1.00 0.00 N ATOM 846 CA GLU A 53 45.139 -0.120 1.277 1.00 0.00 C ATOM 847 C GLU A 53 45.418 -1.239 2.285 1.00 0.00 C ATOM 848 O GLU A 53 44.552 -2.046 2.571 1.00 0.00 O ATOM 849 CB GLU A 53 44.574 1.119 1.992 1.00 0.00 C ATOM 850 CG GLU A 53 43.266 0.770 2.715 1.00 0.00 C ATOM 851 CD GLU A 53 42.974 1.830 3.779 1.00 0.00 C ATOM 852 OE1 GLU A 53 43.874 2.137 4.542 1.00 0.00 O ATOM 853 OE2 GLU A 53 41.856 2.316 3.812 1.00 0.00 O ATOM 0 H GLU A 53 43.116 -0.433 0.661 1.00 0.00 H new ATOM 0 HA GLU A 53 46.079 0.101 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.303 1.497 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.396 1.915 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.445 0.721 2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.345 -0.214 3.178 1.00 0.00 H new ATOM 860 N GLY A 54 46.608 -1.292 2.834 1.00 0.00 N ATOM 861 CA GLY A 54 46.913 -2.364 3.830 1.00 0.00 C ATOM 862 C GLY A 54 48.180 -2.008 4.598 1.00 0.00 C ATOM 863 O GLY A 54 48.224 -1.017 5.301 1.00 0.00 O ATOM 0 H GLY A 54 47.373 -0.646 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.078 -2.480 4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.041 -3.320 3.322 1.00 0.00 H new ATOM 867 N TYR A 55 49.214 -2.804 4.473 1.00 0.00 N ATOM 868 CA TYR A 55 50.476 -2.499 5.195 1.00 0.00 C ATOM 869 C TYR A 55 51.685 -2.660 4.269 1.00 0.00 C ATOM 870 O TYR A 55 51.733 -3.546 3.438 1.00 0.00 O ATOM 871 CB TYR A 55 50.547 -3.486 6.358 1.00 0.00 C ATOM 872 CG TYR A 55 49.748 -2.950 7.522 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.349 -2.993 7.493 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.408 -2.408 8.633 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.610 -2.494 8.572 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.669 -1.909 9.711 1.00 0.00 C ATOM 877 CZ TYR A 55 48.270 -1.952 9.682 1.00 0.00 C ATOM 878 OH TYR A 55 47.542 -1.460 10.745 1.00 0.00 O ATOM 0 H TYR A 55 49.233 -3.649 3.902 1.00 0.00 H new ATOM 0 HA TYR A 55 50.491 -1.468 5.549 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.156 -4.456 6.050 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.584 -3.640 6.655 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.840 -3.411 6.638 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.487 -2.375 8.657 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.531 -2.527 8.549 1.00 0.00 H new ATOM 0 HE2 TYR A 55 50.178 -1.490 10.566 1.00 0.00 H new ATOM 0 HH TYR A 55 48.154 -1.122 11.432 1.00 0.00 H new ATOM 888 N ILE A 56 52.651 -1.791 4.405 1.00 0.00 N ATOM 889 CA ILE A 56 53.867 -1.850 3.539 1.00 0.00 C ATOM 890 C ILE A 56 55.118 -1.529 4.398 1.00 0.00 C ATOM 891 O ILE A 56 55.359 -0.373 4.687 1.00 0.00 O ATOM 892 CB ILE A 56 53.619 -0.755 2.479 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.630 -1.278 1.437 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.915 -0.360 1.767 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.202 -0.988 1.890 1.00 0.00 C ATOM 0 H ILE A 56 52.650 -1.033 5.088 1.00 0.00 H new ATOM 0 HA ILE A 56 54.038 -2.825 3.083 1.00 0.00 H new ATOM 0 HB ILE A 56 53.220 0.122 2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.819 -0.805 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.767 -2.350 1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.703 0.413 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.629 0.022 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.337 -1.233 1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.501 -1.362 1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.016 -1.482 2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.068 0.088 2.006 1.00 0.00 H new ATOM 907 N PRO A 57 55.889 -2.538 4.784 1.00 0.00 N ATOM 908 CA PRO A 57 57.105 -2.276 5.600 1.00 0.00 C ATOM 909 C PRO A 57 58.050 -1.322 4.857 1.00 0.00 C ATOM 910 O PRO A 57 58.396 -1.543 3.713 1.00 0.00 O ATOM 911 CB PRO A 57 57.718 -3.671 5.755 1.00 0.00 C ATOM 912 CG PRO A 57 56.823 -4.691 5.026 1.00 0.00 C ATOM 913 CD PRO A 57 55.612 -3.959 4.439 1.00 0.00 C ATOM 0 HA PRO A 57 56.901 -1.798 6.558 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.726 -3.689 5.340 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.804 -3.930 6.810 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.384 -5.186 4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.495 -5.467 5.718 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.533 -4.106 3.362 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.677 -4.307 4.878 1.00 0.00 H new ATOM 921 N SER A 58 58.453 -0.254 5.500 1.00 0.00 N ATOM 922 CA SER A 58 59.363 0.744 4.843 1.00 0.00 C ATOM 923 C SER A 58 60.597 0.068 4.235 1.00 0.00 C ATOM 924 O SER A 58 60.958 0.326 3.103 1.00 0.00 O ATOM 925 CB SER A 58 59.780 1.698 5.962 1.00 0.00 C ATOM 926 OG SER A 58 60.760 2.602 5.467 1.00 0.00 O ATOM 0 H SER A 58 58.190 -0.026 6.459 1.00 0.00 H new ATOM 0 HA SER A 58 58.861 1.256 4.022 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.913 2.248 6.329 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.180 1.135 6.805 1.00 0.00 H new ATOM 0 HG SER A 58 60.410 3.063 4.676 1.00 0.00 H new ATOM 932 N ASN A 59 61.250 -0.786 4.981 1.00 0.00 N ATOM 933 CA ASN A 59 62.471 -1.472 4.451 1.00 0.00 C ATOM 934 C ASN A 59 62.125 -2.286 3.200 1.00 0.00 C ATOM 935 O ASN A 59 62.872 -2.330 2.242 1.00 0.00 O ATOM 936 CB ASN A 59 62.948 -2.375 5.603 1.00 0.00 C ATOM 937 CG ASN A 59 62.009 -3.575 5.803 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.971 -3.453 6.583 1.00 0.00 O flip ATOM 939 ND2 ASN A 59 62.227 -4.631 5.242 1.00 0.00 N flip ATOM 0 H ASN A 59 60.992 -1.039 5.935 1.00 0.00 H new ATOM 0 HA ASN A 59 63.248 -0.771 4.147 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.957 -2.732 5.394 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.000 -1.795 6.524 1.00 0.00 H new ATOM 0 HD21 ASN A 59 63.039 -4.726 4.632 1.00 0.00 H new ATOM 0 HD22 ASN A 59 61.598 -5.422 5.381 1.00 0.00 H new ATOM 946 N TYR A 60 60.998 -2.936 3.225 1.00 0.00 N ATOM 947 CA TYR A 60 60.575 -3.771 2.057 1.00 0.00 C ATOM 948 C TYR A 60 60.408 -2.914 0.797 1.00 0.00 C ATOM 949 O TYR A 60 60.752 -3.338 -0.291 1.00 0.00 O ATOM 950 CB TYR A 60 59.232 -4.385 2.467 1.00 0.00 C ATOM 951 CG TYR A 60 59.454 -5.780 3.005 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.883 -5.961 4.325 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.227 -6.892 2.184 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.087 -7.253 4.824 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.431 -8.184 2.683 1.00 0.00 C ATOM 956 CZ TYR A 60 59.860 -8.364 4.004 1.00 0.00 C ATOM 957 OH TYR A 60 60.062 -9.638 4.496 1.00 0.00 O ATOM 0 H TYR A 60 60.344 -2.928 4.007 1.00 0.00 H new ATOM 0 HA TYR A 60 61.320 -4.530 1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.753 -3.764 3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.559 -4.418 1.610 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.057 -5.104 4.959 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.895 -6.753 1.166 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.420 -7.392 5.842 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.258 -9.041 2.050 1.00 0.00 H new ATOM 0 HH TYR A 60 59.858 -10.295 3.798 1.00 0.00 H new ATOM 967 N VAL A 61 59.879 -1.720 0.926 1.00 0.00 N ATOM 968 CA VAL A 61 59.688 -0.854 -0.283 1.00 0.00 C ATOM 969 C VAL A 61 60.713 0.283 -0.315 1.00 0.00 C ATOM 970 O VAL A 61 61.380 0.560 0.664 1.00 0.00 O ATOM 971 CB VAL A 61 58.271 -0.280 -0.171 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.253 -1.420 -0.223 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.114 0.480 1.149 1.00 0.00 C ATOM 0 H VAL A 61 59.573 -1.310 1.808 1.00 0.00 H new ATOM 0 HA VAL A 61 59.824 -1.429 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 61 58.099 0.405 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.245 -1.012 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.354 -1.955 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.433 -2.106 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.104 0.884 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.292 -0.199 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.835 1.297 1.186 1.00 0.00 H new ATOM 983 N THR A 62 60.826 0.950 -1.436 1.00 0.00 N ATOM 984 CA THR A 62 61.788 2.087 -1.547 1.00 0.00 C ATOM 985 C THR A 62 61.098 3.281 -2.229 1.00 0.00 C ATOM 986 O THR A 62 59.915 3.487 -2.056 1.00 0.00 O ATOM 987 CB THR A 62 62.971 1.556 -2.370 1.00 0.00 C ATOM 988 OG1 THR A 62 63.956 2.572 -2.484 1.00 0.00 O ATOM 989 CG2 THR A 62 62.505 1.143 -3.763 1.00 0.00 C ATOM 0 H THR A 62 60.291 0.755 -2.282 1.00 0.00 H new ATOM 0 HA THR A 62 62.134 2.442 -0.576 1.00 0.00 H new ATOM 0 HB THR A 62 63.391 0.685 -1.866 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.713 2.236 -3.007 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.354 0.769 -4.335 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.752 0.360 -3.677 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.076 2.005 -4.273 1.00 0.00 H new ATOM 997 N GLU A 63 61.822 4.081 -2.974 1.00 0.00 N ATOM 998 CA GLU A 63 61.194 5.273 -3.626 1.00 0.00 C ATOM 999 C GLU A 63 60.876 5.036 -5.108 1.00 0.00 C ATOM 1000 O GLU A 63 61.456 5.637 -5.991 1.00 0.00 O ATOM 1001 CB GLU A 63 62.214 6.400 -3.465 1.00 0.00 C ATOM 1002 CG GLU A 63 62.116 6.980 -2.053 1.00 0.00 C ATOM 1003 CD GLU A 63 62.839 8.326 -2.002 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.047 8.323 -1.831 1.00 0.00 O ATOM 1005 OE2 GLU A 63 62.171 9.340 -2.136 1.00 0.00 O ATOM 0 H GLU A 63 62.818 3.961 -3.158 1.00 0.00 H new ATOM 0 HA GLU A 63 60.235 5.506 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.220 6.022 -3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.029 7.180 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.070 7.106 -1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 63 62.558 6.290 -1.334 1.00 0.00 H new ATOM 1012 N ALA A 64 59.928 4.185 -5.367 1.00 0.00 N ATOM 1013 CA ALA A 64 59.485 3.885 -6.760 1.00 0.00 C ATOM 1014 C ALA A 64 60.674 3.475 -7.636 1.00 0.00 C ATOM 1015 O ALA A 64 61.714 3.084 -7.141 1.00 0.00 O ATOM 1016 CB ALA A 64 58.864 5.180 -7.276 1.00 0.00 C ATOM 0 H ALA A 64 59.423 3.666 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 64 58.779 3.055 -6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 64 58.515 5.034 -8.298 1.00 0.00 H new ATOM 0 HB2 ALA A 64 58.023 5.458 -6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 64 59.610 5.974 -7.257 1.00 0.00 H new