USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 410 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1 K(o=-1,f=-6.8!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 50:sc= -2.78! USER MOD Single : A 32 SER OG : rot 180:sc= -0.696 USER MOD Single : A 33 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.42) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.314 K(o=-0.31,f=-1.5!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -171:sc= -1.74! USER MOD Single : A 52 ASN : amide:sc= -1.54 K(o=-1.5,f=-9.1!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 58:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 44 N LYS A 3 39.469 54.079 -36.636 1.00 0.00 N ATOM 45 CA LYS A 3 39.206 54.929 -37.832 1.00 0.00 C ATOM 46 C LYS A 3 39.070 56.385 -37.386 1.00 0.00 C ATOM 47 O LYS A 3 38.000 56.833 -37.032 1.00 0.00 O ATOM 48 CB LYS A 3 37.902 54.486 -38.490 1.00 0.00 C ATOM 49 CG LYS A 3 38.211 53.584 -39.687 1.00 0.00 C ATOM 50 CD LYS A 3 37.229 52.409 -39.710 1.00 0.00 C ATOM 51 CE LYS A 3 35.949 52.826 -40.436 1.00 0.00 C ATOM 52 NZ LYS A 3 35.220 51.610 -40.895 1.00 0.00 N ATOM 0 HA LYS A 3 40.027 54.831 -38.542 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.283 53.952 -37.770 1.00 0.00 H new ATOM 0 HB3 LYS A 3 37.333 55.357 -38.815 1.00 0.00 H new ATOM 0 HG2 LYS A 3 38.135 54.153 -40.614 1.00 0.00 H new ATOM 0 HG3 LYS A 3 39.235 53.215 -39.623 1.00 0.00 H new ATOM 0 HD2 LYS A 3 37.681 51.553 -40.211 1.00 0.00 H new ATOM 0 HD3 LYS A 3 36.997 52.096 -38.692 1.00 0.00 H new ATOM 0 HE2 LYS A 3 35.316 53.413 -39.771 1.00 0.00 H new ATOM 0 HE3 LYS A 3 36.192 53.461 -41.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 34.349 51.893 -41.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 35.825 51.067 -41.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 34.976 51.021 -40.074 1.00 0.00 H new ATOM 66 N VAL A 4 40.141 57.127 -37.393 1.00 0.00 N ATOM 67 CA VAL A 4 40.053 58.546 -36.953 1.00 0.00 C ATOM 68 C VAL A 4 39.083 59.312 -37.859 1.00 0.00 C ATOM 69 O VAL A 4 39.318 59.483 -39.038 1.00 0.00 O ATOM 70 CB VAL A 4 41.433 59.195 -37.033 1.00 0.00 C ATOM 71 CG1 VAL A 4 41.820 59.415 -38.495 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.400 60.538 -36.312 1.00 0.00 C ATOM 0 H VAL A 4 41.068 56.815 -37.682 1.00 0.00 H new ATOM 0 HA VAL A 4 39.692 58.577 -35.925 1.00 0.00 H new ATOM 0 HB VAL A 4 42.166 58.540 -36.562 1.00 0.00 H new ATOM 0 HG11 VAL A 4 42.805 59.878 -38.545 1.00 0.00 H new ATOM 0 HG12 VAL A 4 41.843 58.456 -39.013 1.00 0.00 H new ATOM 0 HG13 VAL A 4 41.088 60.067 -38.971 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.384 61.005 -36.367 1.00 0.00 H new ATOM 0 HG22 VAL A 4 40.663 61.187 -36.785 1.00 0.00 H new ATOM 0 HG23 VAL A 4 41.129 60.384 -35.267 1.00 0.00 H new ATOM 82 N VAL A 5 37.988 59.762 -37.320 1.00 0.00 N ATOM 83 CA VAL A 5 37.000 60.506 -38.148 1.00 0.00 C ATOM 84 C VAL A 5 37.296 62.010 -38.135 1.00 0.00 C ATOM 85 O VAL A 5 37.432 62.613 -37.099 1.00 0.00 O ATOM 86 CB VAL A 5 35.601 60.241 -37.610 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.630 60.345 -36.091 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.631 61.272 -38.183 1.00 0.00 C ATOM 0 H VAL A 5 37.733 59.647 -36.339 1.00 0.00 H new ATOM 0 HA VAL A 5 37.070 60.161 -39.180 1.00 0.00 H new ATOM 0 HB VAL A 5 35.272 59.244 -37.902 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.632 60.157 -35.694 1.00 0.00 H new ATOM 0 HG12 VAL A 5 36.325 59.608 -35.689 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.953 61.345 -35.801 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.629 61.082 -37.798 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.949 62.273 -37.890 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.622 61.198 -39.270 1.00 0.00 H new ATOM 98 N ALA A 6 37.371 62.620 -39.284 1.00 0.00 N ATOM 99 CA ALA A 6 37.654 64.084 -39.341 1.00 0.00 C ATOM 100 C ALA A 6 36.725 64.858 -38.400 1.00 0.00 C ATOM 101 O ALA A 6 35.894 64.295 -37.717 1.00 0.00 O ATOM 102 CB ALA A 6 37.426 64.584 -40.767 1.00 0.00 C ATOM 0 H ALA A 6 37.248 62.168 -40.190 1.00 0.00 H new ATOM 0 HA ALA A 6 38.687 64.247 -39.034 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.631 65.653 -40.815 1.00 0.00 H new ATOM 0 HB2 ALA A 6 38.093 64.056 -41.449 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.391 64.400 -41.056 1.00 0.00 H new ATOM 108 N LEU A 7 36.874 66.158 -38.375 1.00 0.00 N ATOM 109 CA LEU A 7 36.025 67.012 -37.498 1.00 0.00 C ATOM 110 C LEU A 7 35.858 68.381 -38.156 1.00 0.00 C ATOM 111 O LEU A 7 34.764 68.807 -38.470 1.00 0.00 O ATOM 112 CB LEU A 7 36.719 67.202 -36.149 1.00 0.00 C ATOM 113 CG LEU A 7 35.732 67.007 -35.003 1.00 0.00 C ATOM 114 CD1 LEU A 7 34.802 68.219 -34.919 1.00 0.00 C ATOM 115 CD2 LEU A 7 34.906 65.740 -35.232 1.00 0.00 C ATOM 0 H LEU A 7 37.558 66.668 -38.934 1.00 0.00 H new ATOM 0 HA LEU A 7 35.054 66.538 -37.353 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.540 66.491 -36.053 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.154 68.200 -36.095 1.00 0.00 H new ATOM 0 HG LEU A 7 36.285 66.906 -34.069 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.096 68.080 -34.100 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.392 69.118 -34.741 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.255 68.323 -35.856 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.204 65.609 -34.408 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.355 65.829 -36.168 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.570 64.877 -35.283 1.00 0.00 H new ATOM 127 N TYR A 8 36.946 69.072 -38.362 1.00 0.00 N ATOM 128 CA TYR A 8 36.877 70.416 -38.997 1.00 0.00 C ATOM 129 C TYR A 8 37.610 70.370 -40.341 1.00 0.00 C ATOM 130 O TYR A 8 38.623 69.713 -40.484 1.00 0.00 O ATOM 131 CB TYR A 8 37.534 71.440 -38.072 1.00 0.00 C ATOM 132 CG TYR A 8 36.969 71.285 -36.678 1.00 0.00 C ATOM 133 CD1 TYR A 8 35.806 71.974 -36.313 1.00 0.00 C ATOM 134 CD2 TYR A 8 37.608 70.453 -35.750 1.00 0.00 C ATOM 135 CE1 TYR A 8 35.283 71.832 -35.022 1.00 0.00 C ATOM 136 CE2 TYR A 8 37.084 70.311 -34.459 1.00 0.00 C ATOM 137 CZ TYR A 8 35.922 71.001 -34.095 1.00 0.00 C ATOM 138 OH TYR A 8 35.406 70.861 -32.824 1.00 0.00 O ATOM 0 H TYR A 8 37.885 68.760 -38.115 1.00 0.00 H new ATOM 0 HA TYR A 8 35.839 70.702 -39.165 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.614 71.295 -38.058 1.00 0.00 H new ATOM 0 HB3 TYR A 8 37.353 72.450 -38.441 1.00 0.00 H new ATOM 0 HD1 TYR A 8 35.312 72.615 -37.028 1.00 0.00 H new ATOM 0 HD2 TYR A 8 38.505 69.921 -36.030 1.00 0.00 H new ATOM 0 HE1 TYR A 8 34.386 72.364 -34.741 1.00 0.00 H new ATOM 0 HE2 TYR A 8 37.577 69.669 -33.744 1.00 0.00 H new ATOM 0 HH TYR A 8 35.970 70.248 -32.308 1.00 0.00 H new ATOM 148 N ASP A 9 37.101 71.052 -41.331 1.00 0.00 N ATOM 149 CA ASP A 9 37.758 71.036 -42.671 1.00 0.00 C ATOM 150 C ASP A 9 39.254 71.330 -42.534 1.00 0.00 C ATOM 151 O ASP A 9 39.650 72.336 -41.980 1.00 0.00 O ATOM 152 CB ASP A 9 37.118 72.103 -43.564 1.00 0.00 C ATOM 153 CG ASP A 9 37.195 71.658 -45.026 1.00 0.00 C ATOM 154 OD1 ASP A 9 37.048 70.473 -45.273 1.00 0.00 O ATOM 155 OD2 ASP A 9 37.399 72.512 -45.873 1.00 0.00 O ATOM 0 H ASP A 9 36.257 71.621 -41.270 1.00 0.00 H new ATOM 0 HA ASP A 9 37.627 70.049 -43.115 1.00 0.00 H new ATOM 0 HB2 ASP A 9 36.079 72.259 -43.275 1.00 0.00 H new ATOM 0 HB3 ASP A 9 37.631 73.056 -43.435 1.00 0.00 H new ATOM 160 N TYR A 10 40.090 70.465 -43.047 1.00 0.00 N ATOM 161 CA TYR A 10 41.558 70.705 -42.962 1.00 0.00 C ATOM 162 C TYR A 10 42.187 70.433 -44.331 1.00 0.00 C ATOM 163 O TYR A 10 42.373 69.300 -44.725 1.00 0.00 O ATOM 164 CB TYR A 10 42.176 69.770 -41.920 1.00 0.00 C ATOM 165 CG TYR A 10 43.547 70.278 -41.541 1.00 0.00 C ATOM 166 CD1 TYR A 10 43.678 71.325 -40.622 1.00 0.00 C ATOM 167 CD2 TYR A 10 44.689 69.699 -42.110 1.00 0.00 C ATOM 168 CE1 TYR A 10 44.950 71.795 -40.272 1.00 0.00 C ATOM 169 CE2 TYR A 10 45.960 70.170 -41.761 1.00 0.00 C ATOM 170 CZ TYR A 10 46.090 71.217 -40.841 1.00 0.00 C ATOM 171 OH TYR A 10 47.344 71.681 -40.497 1.00 0.00 O ATOM 0 H TYR A 10 39.818 69.604 -43.521 1.00 0.00 H new ATOM 0 HA TYR A 10 41.744 71.738 -42.668 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.538 69.719 -41.038 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.249 68.759 -42.320 1.00 0.00 H new ATOM 0 HD1 TYR A 10 42.798 71.771 -40.182 1.00 0.00 H new ATOM 0 HD2 TYR A 10 44.589 68.889 -42.818 1.00 0.00 H new ATOM 0 HE1 TYR A 10 45.051 72.603 -39.563 1.00 0.00 H new ATOM 0 HE2 TYR A 10 46.840 69.726 -42.201 1.00 0.00 H new ATOM 0 HH TYR A 10 48.026 71.170 -40.981 1.00 0.00 H new ATOM 181 N MET A 11 42.506 71.466 -45.063 1.00 0.00 N ATOM 182 CA MET A 11 43.110 71.272 -46.407 1.00 0.00 C ATOM 183 C MET A 11 44.605 70.967 -46.259 1.00 0.00 C ATOM 184 O MET A 11 45.194 71.249 -45.236 1.00 0.00 O ATOM 185 CB MET A 11 42.924 72.548 -47.232 1.00 0.00 C ATOM 186 CG MET A 11 43.848 73.643 -46.697 1.00 0.00 C ATOM 187 SD MET A 11 43.387 75.233 -47.429 1.00 0.00 S ATOM 188 CE MET A 11 43.565 76.233 -45.932 1.00 0.00 C ATOM 0 H MET A 11 42.373 72.438 -44.785 1.00 0.00 H new ATOM 0 HA MET A 11 42.622 70.438 -46.911 1.00 0.00 H new ATOM 0 HB2 MET A 11 43.146 72.351 -48.281 1.00 0.00 H new ATOM 0 HB3 MET A 11 41.886 72.877 -47.182 1.00 0.00 H new ATOM 0 HG2 MET A 11 43.776 73.696 -45.611 1.00 0.00 H new ATOM 0 HG3 MET A 11 44.885 73.407 -46.936 1.00 0.00 H new ATOM 0 HE1 MET A 11 43.324 77.272 -46.158 1.00 0.00 H new ATOM 0 HE2 MET A 11 42.887 75.862 -45.164 1.00 0.00 H new ATOM 0 HE3 MET A 11 44.592 76.169 -45.571 1.00 0.00 H new ATOM 198 N PRO A 12 45.171 70.392 -47.291 1.00 0.00 N ATOM 199 CA PRO A 12 46.599 70.026 -47.312 1.00 0.00 C ATOM 200 C PRO A 12 47.470 71.262 -47.554 1.00 0.00 C ATOM 201 O PRO A 12 46.982 72.371 -47.645 1.00 0.00 O ATOM 202 CB PRO A 12 46.700 69.045 -48.483 1.00 0.00 C ATOM 203 CG PRO A 12 45.488 69.331 -49.400 1.00 0.00 C ATOM 204 CD PRO A 12 44.442 70.056 -48.532 1.00 0.00 C ATOM 0 HA PRO A 12 46.945 69.597 -46.371 1.00 0.00 H new ATOM 0 HB2 PRO A 12 47.637 69.181 -49.024 1.00 0.00 H new ATOM 0 HB3 PRO A 12 46.684 68.014 -48.128 1.00 0.00 H new ATOM 0 HG2 PRO A 12 45.782 69.948 -50.249 1.00 0.00 H new ATOM 0 HG3 PRO A 12 45.081 68.404 -49.805 1.00 0.00 H new ATOM 0 HD2 PRO A 12 44.065 70.951 -49.027 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.582 69.418 -48.328 1.00 0.00 H new ATOM 266 N ASP A 17 48.890 66.025 -46.148 1.00 0.00 N ATOM 267 CA ASP A 17 47.703 65.850 -45.264 1.00 0.00 C ATOM 268 C ASP A 17 46.462 65.603 -46.122 1.00 0.00 C ATOM 269 O ASP A 17 46.291 66.200 -47.165 1.00 0.00 O ATOM 270 CB ASP A 17 47.500 67.121 -44.434 1.00 0.00 C ATOM 271 CG ASP A 17 47.419 66.754 -42.951 1.00 0.00 C ATOM 272 OD1 ASP A 17 48.456 66.474 -42.373 1.00 0.00 O ATOM 273 OD2 ASP A 17 46.320 66.760 -42.418 1.00 0.00 O ATOM 0 HA ASP A 17 47.863 65.000 -44.601 1.00 0.00 H new ATOM 0 HB2 ASP A 17 48.324 67.814 -44.604 1.00 0.00 H new ATOM 0 HB3 ASP A 17 46.587 67.629 -44.744 1.00 0.00 H new ATOM 278 N LEU A 18 45.588 64.733 -45.693 1.00 0.00 N ATOM 279 CA LEU A 18 44.361 64.471 -46.493 1.00 0.00 C ATOM 280 C LEU A 18 43.359 65.592 -46.216 1.00 0.00 C ATOM 281 O LEU A 18 43.084 65.917 -45.081 1.00 0.00 O ATOM 282 CB LEU A 18 43.753 63.128 -46.054 1.00 0.00 C ATOM 283 CG LEU A 18 44.120 61.956 -46.998 1.00 0.00 C ATOM 284 CD1 LEU A 18 45.163 62.351 -48.052 1.00 0.00 C ATOM 285 CD2 LEU A 18 44.677 60.811 -46.150 1.00 0.00 C ATOM 0 H LEU A 18 45.671 64.197 -44.829 1.00 0.00 H new ATOM 0 HA LEU A 18 44.600 64.433 -47.556 1.00 0.00 H new ATOM 0 HB2 LEU A 18 44.094 62.894 -45.045 1.00 0.00 H new ATOM 0 HB3 LEU A 18 42.668 63.225 -46.010 1.00 0.00 H new ATOM 0 HG LEU A 18 43.217 61.659 -47.532 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.383 61.492 -48.686 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.772 63.163 -48.664 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.076 62.678 -47.555 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.942 59.975 -46.797 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.564 61.152 -45.616 1.00 0.00 H new ATOM 0 HD23 LEU A 18 43.922 60.490 -45.432 1.00 0.00 H new ATOM 297 N GLN A 19 42.811 66.192 -47.239 1.00 0.00 N ATOM 298 CA GLN A 19 41.829 67.288 -47.005 1.00 0.00 C ATOM 299 C GLN A 19 40.637 66.716 -46.241 1.00 0.00 C ATOM 300 O GLN A 19 39.883 65.916 -46.758 1.00 0.00 O ATOM 301 CB GLN A 19 41.360 67.859 -48.347 1.00 0.00 C ATOM 302 CG GLN A 19 40.462 69.072 -48.098 1.00 0.00 C ATOM 303 CD GLN A 19 39.053 68.780 -48.614 1.00 0.00 C ATOM 304 OE1 GLN A 19 38.730 67.652 -48.929 1.00 0.00 O ATOM 305 NE2 GLN A 19 38.193 69.757 -48.715 1.00 0.00 N ATOM 0 H GLN A 19 42.999 65.973 -48.217 1.00 0.00 H new ATOM 0 HA GLN A 19 42.293 68.088 -46.427 1.00 0.00 H new ATOM 0 HB2 GLN A 19 42.219 68.147 -48.952 1.00 0.00 H new ATOM 0 HB3 GLN A 19 40.816 67.099 -48.908 1.00 0.00 H new ATOM 0 HG2 GLN A 19 40.430 69.301 -47.033 1.00 0.00 H new ATOM 0 HG3 GLN A 19 40.870 69.949 -48.601 1.00 0.00 H new ATOM 0 HE21 GLN A 19 38.464 70.704 -48.451 1.00 0.00 H new ATOM 0 HE22 GLN A 19 37.250 69.573 -49.058 1.00 0.00 H new ATOM 314 N LEU A 20 40.472 67.098 -45.005 1.00 0.00 N ATOM 315 CA LEU A 20 39.342 66.549 -44.207 1.00 0.00 C ATOM 316 C LEU A 20 38.009 67.056 -44.742 1.00 0.00 C ATOM 317 O LEU A 20 37.912 68.125 -45.311 1.00 0.00 O ATOM 318 CB LEU A 20 39.481 66.966 -42.740 1.00 0.00 C ATOM 319 CG LEU A 20 40.742 66.350 -42.120 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.455 65.982 -40.665 1.00 0.00 C ATOM 321 CD2 LEU A 20 41.161 65.089 -42.883 1.00 0.00 C ATOM 0 H LEU A 20 41.069 67.764 -44.515 1.00 0.00 H new ATOM 0 HA LEU A 20 39.370 65.462 -44.286 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.528 68.053 -42.668 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.601 66.647 -42.181 1.00 0.00 H new ATOM 0 HG LEU A 20 41.551 67.078 -42.175 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.347 65.543 -40.218 1.00 0.00 H new ATOM 0 HD12 LEU A 20 40.175 66.878 -40.112 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.638 65.261 -40.626 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.057 64.669 -42.427 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.356 64.356 -42.844 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.369 65.345 -43.922 1.00 0.00 H new ATOM 333 N ARG A 21 36.976 66.292 -44.537 1.00 0.00 N ATOM 334 CA ARG A 21 35.627 66.711 -44.999 1.00 0.00 C ATOM 335 C ARG A 21 34.666 66.610 -43.821 1.00 0.00 C ATOM 336 O ARG A 21 33.470 66.476 -43.980 1.00 0.00 O ATOM 337 CB ARG A 21 35.157 65.805 -46.140 1.00 0.00 C ATOM 338 CG ARG A 21 36.352 65.423 -47.015 1.00 0.00 C ATOM 339 CD ARG A 21 35.855 64.746 -48.293 1.00 0.00 C ATOM 340 NE ARG A 21 37.011 64.160 -49.027 1.00 0.00 N ATOM 341 CZ ARG A 21 37.799 64.932 -49.727 1.00 0.00 C ATOM 342 NH1 ARG A 21 37.296 65.896 -50.446 1.00 0.00 N ATOM 343 NH2 ARG A 21 39.089 64.738 -49.705 1.00 0.00 N ATOM 0 H ARG A 21 37.009 65.388 -44.065 1.00 0.00 H new ATOM 0 HA ARG A 21 35.660 67.736 -45.368 1.00 0.00 H new ATOM 0 HB2 ARG A 21 34.687 64.908 -45.736 1.00 0.00 H new ATOM 0 HB3 ARG A 21 34.404 66.317 -46.739 1.00 0.00 H new ATOM 0 HG2 ARG A 21 36.932 66.311 -47.264 1.00 0.00 H new ATOM 0 HG3 ARG A 21 37.015 64.751 -46.470 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.134 63.967 -48.047 1.00 0.00 H new ATOM 0 HD3 ARG A 21 35.339 65.470 -48.924 1.00 0.00 H new ATOM 0 HE ARG A 21 37.187 63.156 -48.983 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.287 66.047 -50.462 1.00 0.00 H new ATOM 0 HH12 ARG A 21 37.911 66.499 -50.993 1.00 0.00 H new ATOM 0 HH21 ARG A 21 39.482 63.984 -49.142 1.00 0.00 H new ATOM 0 HH22 ARG A 21 39.705 65.340 -50.251 1.00 0.00 H new ATOM 357 N LYS A 22 35.208 66.687 -42.640 1.00 0.00 N ATOM 358 CA LYS A 22 34.385 66.613 -41.401 1.00 0.00 C ATOM 359 C LYS A 22 33.228 65.634 -41.584 1.00 0.00 C ATOM 360 O LYS A 22 32.187 65.977 -42.110 1.00 0.00 O ATOM 361 CB LYS A 22 33.831 67.997 -41.079 1.00 0.00 C ATOM 362 CG LYS A 22 34.919 69.040 -41.320 1.00 0.00 C ATOM 363 CD LYS A 22 34.431 70.058 -42.353 1.00 0.00 C ATOM 364 CE LYS A 22 33.138 70.710 -41.859 1.00 0.00 C ATOM 365 NZ LYS A 22 32.769 71.831 -42.767 1.00 0.00 N ATOM 0 H LYS A 22 36.208 66.801 -42.477 1.00 0.00 H new ATOM 0 HA LYS A 22 35.014 66.264 -40.582 1.00 0.00 H new ATOM 0 HB2 LYS A 22 32.963 68.209 -41.703 1.00 0.00 H new ATOM 0 HB3 LYS A 22 33.496 68.036 -40.042 1.00 0.00 H new ATOM 0 HG2 LYS A 22 35.167 69.544 -40.386 1.00 0.00 H new ATOM 0 HG3 LYS A 22 35.830 68.556 -41.673 1.00 0.00 H new ATOM 0 HD2 LYS A 22 35.194 70.819 -42.518 1.00 0.00 H new ATOM 0 HD3 LYS A 22 34.260 69.566 -43.310 1.00 0.00 H new ATOM 0 HE2 LYS A 22 32.335 69.973 -41.829 1.00 0.00 H new ATOM 0 HE3 LYS A 22 33.270 71.080 -40.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.890 72.275 -42.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 33.532 72.537 -42.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 32.626 71.465 -43.730 1.00 0.00 H new ATOM 379 N GLY A 23 33.396 64.419 -41.152 1.00 0.00 N ATOM 380 CA GLY A 23 32.300 63.421 -41.300 1.00 0.00 C ATOM 381 C GLY A 23 32.889 62.102 -41.787 1.00 0.00 C ATOM 382 O GLY A 23 32.901 61.116 -41.078 1.00 0.00 O ATOM 0 H GLY A 23 34.243 64.072 -40.703 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.792 63.277 -40.347 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.554 63.784 -42.007 1.00 0.00 H new ATOM 386 N ASP A 24 33.391 62.076 -42.990 1.00 0.00 N ATOM 387 CA ASP A 24 33.992 60.818 -43.506 1.00 0.00 C ATOM 388 C ASP A 24 35.057 60.361 -42.516 1.00 0.00 C ATOM 389 O ASP A 24 35.921 61.122 -42.127 1.00 0.00 O ATOM 390 CB ASP A 24 34.634 61.069 -44.870 1.00 0.00 C ATOM 391 CG ASP A 24 33.640 61.785 -45.789 1.00 0.00 C ATOM 392 OD1 ASP A 24 32.669 62.321 -45.281 1.00 0.00 O ATOM 393 OD2 ASP A 24 33.868 61.785 -46.987 1.00 0.00 O ATOM 0 H ASP A 24 33.411 62.867 -43.634 1.00 0.00 H new ATOM 0 HA ASP A 24 33.223 60.053 -43.618 1.00 0.00 H new ATOM 0 HB2 ASP A 24 35.534 61.672 -44.753 1.00 0.00 H new ATOM 0 HB3 ASP A 24 34.940 60.123 -45.317 1.00 0.00 H new ATOM 398 N GLU A 25 35.003 59.134 -42.086 1.00 0.00 N ATOM 399 CA GLU A 25 36.016 58.660 -41.106 1.00 0.00 C ATOM 400 C GLU A 25 37.290 58.244 -41.838 1.00 0.00 C ATOM 401 O GLU A 25 37.276 57.960 -43.020 1.00 0.00 O ATOM 402 CB GLU A 25 35.463 57.472 -40.320 1.00 0.00 C ATOM 403 CG GLU A 25 34.099 57.840 -39.735 1.00 0.00 C ATOM 404 CD GLU A 25 33.000 57.086 -40.488 1.00 0.00 C ATOM 405 OE1 GLU A 25 33.180 55.905 -40.732 1.00 0.00 O ATOM 406 OE2 GLU A 25 31.998 57.705 -40.808 1.00 0.00 O ATOM 0 H GLU A 25 34.307 58.443 -42.368 1.00 0.00 H new ATOM 0 HA GLU A 25 36.247 59.470 -40.415 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.369 56.603 -40.971 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.152 57.198 -39.521 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.066 57.589 -38.675 1.00 0.00 H new ATOM 0 HG3 GLU A 25 33.936 58.915 -39.813 1.00 0.00 H new ATOM 413 N TYR A 26 38.397 58.214 -41.145 1.00 0.00 N ATOM 414 CA TYR A 26 39.678 57.829 -41.801 1.00 0.00 C ATOM 415 C TYR A 26 40.287 56.618 -41.090 1.00 0.00 C ATOM 416 O TYR A 26 40.110 56.421 -39.904 1.00 0.00 O ATOM 417 CB TYR A 26 40.651 59.008 -41.730 1.00 0.00 C ATOM 418 CG TYR A 26 39.923 60.273 -42.114 1.00 0.00 C ATOM 419 CD1 TYR A 26 38.958 60.235 -43.124 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.204 61.478 -41.459 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.272 61.396 -43.485 1.00 0.00 C ATOM 422 CE2 TYR A 26 39.516 62.643 -41.821 1.00 0.00 C ATOM 423 CZ TYR A 26 38.549 62.601 -42.836 1.00 0.00 C ATOM 424 OH TYR A 26 37.870 63.746 -43.197 1.00 0.00 O ATOM 0 H TYR A 26 38.468 58.440 -40.153 1.00 0.00 H new ATOM 0 HA TYR A 26 39.488 57.569 -42.842 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.058 59.099 -40.723 1.00 0.00 H new ATOM 0 HB3 TYR A 26 41.494 58.841 -42.401 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.742 59.304 -43.627 1.00 0.00 H new ATOM 0 HD2 TYR A 26 40.949 61.509 -40.677 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.527 61.362 -44.266 1.00 0.00 H new ATOM 0 HE2 TYR A 26 39.730 63.574 -41.318 1.00 0.00 H new ATOM 0 HH TYR A 26 36.907 63.565 -43.210 1.00 0.00 H new ATOM 434 N PHE A 27 41.023 55.818 -41.813 1.00 0.00 N ATOM 435 CA PHE A 27 41.670 54.625 -41.201 1.00 0.00 C ATOM 436 C PHE A 27 43.144 54.942 -41.004 1.00 0.00 C ATOM 437 O PHE A 27 43.779 55.529 -41.858 1.00 0.00 O ATOM 438 CB PHE A 27 41.517 53.419 -42.130 1.00 0.00 C ATOM 439 CG PHE A 27 41.746 52.147 -41.349 1.00 0.00 C ATOM 440 CD1 PHE A 27 43.042 51.637 -41.207 1.00 0.00 C ATOM 441 CD2 PHE A 27 40.662 51.476 -40.770 1.00 0.00 C ATOM 442 CE1 PHE A 27 43.254 50.456 -40.486 1.00 0.00 C ATOM 443 CE2 PHE A 27 40.874 50.296 -40.049 1.00 0.00 C ATOM 444 CZ PHE A 27 42.170 49.786 -39.906 1.00 0.00 C ATOM 0 H PHE A 27 41.204 55.942 -42.809 1.00 0.00 H new ATOM 0 HA PHE A 27 41.203 54.387 -40.246 1.00 0.00 H new ATOM 0 HB2 PHE A 27 40.521 53.412 -42.572 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.230 53.487 -42.951 1.00 0.00 H new ATOM 0 HD1 PHE A 27 43.878 52.155 -41.654 1.00 0.00 H new ATOM 0 HD2 PHE A 27 39.662 51.869 -40.880 1.00 0.00 H new ATOM 0 HE1 PHE A 27 44.254 50.062 -40.377 1.00 0.00 H new ATOM 0 HE2 PHE A 27 40.038 49.778 -39.603 1.00 0.00 H new ATOM 0 HZ PHE A 27 42.334 48.876 -39.348 1.00 0.00 H new ATOM 454 N ILE A 28 43.691 54.592 -39.880 1.00 0.00 N ATOM 455 CA ILE A 28 45.114 54.921 -39.633 1.00 0.00 C ATOM 456 C ILE A 28 46.046 53.855 -40.185 1.00 0.00 C ATOM 457 O ILE A 28 46.392 52.900 -39.517 1.00 0.00 O ATOM 458 CB ILE A 28 45.349 55.075 -38.139 1.00 0.00 C ATOM 459 CG1 ILE A 28 44.313 56.045 -37.555 1.00 0.00 C ATOM 460 CG2 ILE A 28 46.758 55.624 -37.914 1.00 0.00 C ATOM 461 CD1 ILE A 28 44.048 57.192 -38.540 1.00 0.00 C ATOM 0 H ILE A 28 43.217 54.095 -39.126 1.00 0.00 H new ATOM 0 HA ILE A 28 45.333 55.856 -40.148 1.00 0.00 H new ATOM 0 HB ILE A 28 45.249 54.109 -37.645 1.00 0.00 H new ATOM 0 HG12 ILE A 28 43.384 55.514 -37.345 1.00 0.00 H new ATOM 0 HG13 ILE A 28 44.672 56.445 -36.607 1.00 0.00 H new ATOM 0 HG21 ILE A 28 46.937 55.739 -36.845 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.489 54.932 -38.333 1.00 0.00 H new ATOM 0 HG23 ILE A 28 46.853 56.593 -38.404 1.00 0.00 H new ATOM 0 HD11 ILE A 28 43.311 57.874 -38.115 1.00 0.00 H new ATOM 0 HD12 ILE A 28 44.976 57.732 -38.728 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.668 56.786 -39.478 1.00 0.00 H new ATOM 473 N LEU A 29 46.499 54.047 -41.387 1.00 0.00 N ATOM 474 CA LEU A 29 47.460 53.094 -41.979 1.00 0.00 C ATOM 475 C LEU A 29 48.755 53.192 -41.171 1.00 0.00 C ATOM 476 O LEU A 29 49.631 52.355 -41.261 1.00 0.00 O ATOM 477 CB LEU A 29 47.725 53.505 -43.424 1.00 0.00 C ATOM 478 CG LEU A 29 46.523 53.134 -44.287 1.00 0.00 C ATOM 479 CD1 LEU A 29 45.268 53.818 -43.742 1.00 0.00 C ATOM 480 CD2 LEU A 29 46.774 53.597 -45.721 1.00 0.00 C ATOM 0 H LEU A 29 46.241 54.830 -41.987 1.00 0.00 H new ATOM 0 HA LEU A 29 47.075 52.075 -41.960 1.00 0.00 H new ATOM 0 HB2 LEU A 29 47.909 54.578 -43.480 1.00 0.00 H new ATOM 0 HB3 LEU A 29 48.621 53.008 -43.796 1.00 0.00 H new ATOM 0 HG LEU A 29 46.380 52.054 -44.269 1.00 0.00 H new ATOM 0 HD11 LEU A 29 44.411 53.551 -44.360 1.00 0.00 H new ATOM 0 HD12 LEU A 29 45.092 53.492 -42.717 1.00 0.00 H new ATOM 0 HD13 LEU A 29 45.406 54.899 -43.760 1.00 0.00 H new ATOM 0 HD21 LEU A 29 45.918 53.335 -46.343 1.00 0.00 H new ATOM 0 HD22 LEU A 29 46.915 54.678 -45.735 1.00 0.00 H new ATOM 0 HD23 LEU A 29 47.668 53.109 -46.110 1.00 0.00 H new ATOM 492 N GLU A 30 48.865 54.226 -40.375 1.00 0.00 N ATOM 493 CA GLU A 30 50.082 54.421 -39.540 1.00 0.00 C ATOM 494 C GLU A 30 49.913 55.706 -38.726 1.00 0.00 C ATOM 495 O GLU A 30 49.245 56.630 -39.145 1.00 0.00 O ATOM 496 CB GLU A 30 51.312 54.544 -40.440 1.00 0.00 C ATOM 497 CG GLU A 30 52.229 53.339 -40.221 1.00 0.00 C ATOM 498 CD GLU A 30 53.233 53.246 -41.371 1.00 0.00 C ATOM 499 OE1 GLU A 30 54.104 54.097 -41.441 1.00 0.00 O ATOM 500 OE2 GLU A 30 53.115 52.325 -42.163 1.00 0.00 O ATOM 0 H GLU A 30 48.154 54.949 -40.269 1.00 0.00 H new ATOM 0 HA GLU A 30 50.215 53.569 -38.873 1.00 0.00 H new ATOM 0 HB2 GLU A 30 51.007 54.597 -41.485 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.848 55.467 -40.217 1.00 0.00 H new ATOM 0 HG2 GLU A 30 52.755 53.437 -39.272 1.00 0.00 H new ATOM 0 HG3 GLU A 30 51.638 52.425 -40.165 1.00 0.00 H new ATOM 507 N GLU A 31 50.500 55.774 -37.564 1.00 0.00 N ATOM 508 CA GLU A 31 50.357 57.005 -36.733 1.00 0.00 C ATOM 509 C GLU A 31 51.736 57.478 -36.269 1.00 0.00 C ATOM 510 O GLU A 31 52.742 56.851 -36.536 1.00 0.00 O ATOM 511 CB GLU A 31 49.488 56.695 -35.512 1.00 0.00 C ATOM 512 CG GLU A 31 50.060 55.483 -34.773 1.00 0.00 C ATOM 513 CD GLU A 31 49.005 54.925 -33.816 1.00 0.00 C ATOM 514 OE1 GLU A 31 48.618 55.642 -32.909 1.00 0.00 O ATOM 515 OE2 GLU A 31 48.602 53.789 -34.008 1.00 0.00 O ATOM 0 H GLU A 31 51.071 55.035 -37.154 1.00 0.00 H new ATOM 0 HA GLU A 31 49.888 57.789 -37.327 1.00 0.00 H new ATOM 0 HB2 GLU A 31 49.456 57.558 -34.847 1.00 0.00 H new ATOM 0 HB3 GLU A 31 48.463 56.494 -35.823 1.00 0.00 H new ATOM 0 HG2 GLU A 31 50.360 54.716 -35.487 1.00 0.00 H new ATOM 0 HG3 GLU A 31 50.954 55.770 -34.219 1.00 0.00 H new ATOM 522 N SER A 32 51.789 58.581 -35.572 1.00 0.00 N ATOM 523 CA SER A 32 53.101 59.097 -35.087 1.00 0.00 C ATOM 524 C SER A 32 52.867 60.084 -33.941 1.00 0.00 C ATOM 525 O SER A 32 51.750 60.473 -33.661 1.00 0.00 O ATOM 526 CB SER A 32 53.823 59.808 -36.231 1.00 0.00 C ATOM 527 OG SER A 32 53.205 59.462 -37.464 1.00 0.00 O ATOM 0 H SER A 32 50.980 59.147 -35.317 1.00 0.00 H new ATOM 0 HA SER A 32 53.711 58.266 -34.733 1.00 0.00 H new ATOM 0 HB2 SER A 32 53.788 60.887 -36.084 1.00 0.00 H new ATOM 0 HB3 SER A 32 54.875 59.523 -36.246 1.00 0.00 H new ATOM 0 HG SER A 32 53.665 59.918 -38.200 1.00 0.00 H new ATOM 533 N ASN A 33 53.913 60.494 -33.276 1.00 0.00 N ATOM 534 CA ASN A 33 53.749 61.457 -32.149 1.00 0.00 C ATOM 535 C ASN A 33 52.978 62.685 -32.638 1.00 0.00 C ATOM 536 O ASN A 33 51.973 63.064 -32.070 1.00 0.00 O ATOM 537 CB ASN A 33 55.127 61.888 -31.642 1.00 0.00 C ATOM 538 CG ASN A 33 55.863 60.672 -31.072 1.00 0.00 C ATOM 539 OD1 ASN A 33 55.296 59.898 -30.328 1.00 0.00 O ATOM 540 ND2 ASN A 33 57.112 60.473 -31.393 1.00 0.00 N ATOM 0 H ASN A 33 54.873 60.204 -33.464 1.00 0.00 H new ATOM 0 HA ASN A 33 53.197 60.980 -31.339 1.00 0.00 H new ATOM 0 HB2 ASN A 33 55.704 62.328 -32.455 1.00 0.00 H new ATOM 0 HB3 ASN A 33 55.021 62.655 -30.875 1.00 0.00 H new ATOM 0 HD21 ASN A 33 57.613 59.667 -31.019 1.00 0.00 H new ATOM 0 HD22 ASN A 33 57.588 61.124 -32.018 1.00 0.00 H new ATOM 547 N LEU A 34 53.439 63.307 -33.689 1.00 0.00 N ATOM 548 CA LEU A 34 52.731 64.510 -34.217 1.00 0.00 C ATOM 549 C LEU A 34 51.223 64.249 -34.225 1.00 0.00 C ATOM 550 O LEU A 34 50.791 63.123 -34.072 1.00 0.00 O ATOM 551 CB LEU A 34 53.206 64.807 -35.648 1.00 0.00 C ATOM 552 CG LEU A 34 53.687 63.519 -36.319 1.00 0.00 C ATOM 553 CD1 LEU A 34 53.278 63.529 -37.793 1.00 0.00 C ATOM 554 CD2 LEU A 34 55.211 63.430 -36.216 1.00 0.00 C ATOM 0 H LEU A 34 54.275 63.035 -34.205 1.00 0.00 H new ATOM 0 HA LEU A 34 52.952 65.367 -33.580 1.00 0.00 H new ATOM 0 HB2 LEU A 34 52.393 65.246 -36.226 1.00 0.00 H new ATOM 0 HB3 LEU A 34 54.013 65.539 -35.627 1.00 0.00 H new ATOM 0 HG LEU A 34 53.237 62.660 -35.822 1.00 0.00 H new ATOM 0 HD11 LEU A 34 53.620 62.612 -38.272 1.00 0.00 H new ATOM 0 HD12 LEU A 34 52.193 63.595 -37.869 1.00 0.00 H new ATOM 0 HD13 LEU A 34 53.729 64.388 -38.290 1.00 0.00 H new ATOM 0 HD21 LEU A 34 55.555 62.513 -36.694 1.00 0.00 H new ATOM 0 HD22 LEU A 34 55.660 64.289 -36.714 1.00 0.00 H new ATOM 0 HD23 LEU A 34 55.505 63.425 -35.166 1.00 0.00 H new ATOM 566 N PRO A 35 50.463 65.298 -34.407 1.00 0.00 N ATOM 567 CA PRO A 35 48.993 65.212 -34.441 1.00 0.00 C ATOM 568 C PRO A 35 48.528 64.612 -35.770 1.00 0.00 C ATOM 569 O PRO A 35 47.529 63.925 -35.837 1.00 0.00 O ATOM 570 CB PRO A 35 48.541 66.667 -34.295 1.00 0.00 C ATOM 571 CG PRO A 35 49.737 67.541 -34.741 1.00 0.00 C ATOM 572 CD PRO A 35 50.995 66.663 -34.602 1.00 0.00 C ATOM 0 HA PRO A 35 48.579 64.571 -33.662 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.664 66.865 -34.911 1.00 0.00 H new ATOM 0 HB3 PRO A 35 48.263 66.886 -33.264 1.00 0.00 H new ATOM 0 HG2 PRO A 35 49.610 67.877 -35.770 1.00 0.00 H new ATOM 0 HG3 PRO A 35 49.817 68.434 -34.122 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.623 66.723 -35.491 1.00 0.00 H new ATOM 0 HD3 PRO A 35 51.608 66.976 -33.757 1.00 0.00 H new ATOM 579 N TRP A 36 49.253 64.854 -36.826 1.00 0.00 N ATOM 580 CA TRP A 36 48.859 64.285 -38.143 1.00 0.00 C ATOM 581 C TRP A 36 49.369 62.845 -38.231 1.00 0.00 C ATOM 582 O TRP A 36 50.499 62.561 -37.884 1.00 0.00 O ATOM 583 CB TRP A 36 49.479 65.116 -39.269 1.00 0.00 C ATOM 584 CG TRP A 36 49.407 66.567 -38.915 1.00 0.00 C ATOM 585 CD1 TRP A 36 48.456 67.131 -38.135 1.00 0.00 C ATOM 586 CD2 TRP A 36 50.301 67.646 -39.315 1.00 0.00 C ATOM 587 NE1 TRP A 36 48.709 68.487 -38.030 1.00 0.00 N ATOM 588 CE2 TRP A 36 49.835 68.853 -38.740 1.00 0.00 C ATOM 589 CE3 TRP A 36 51.458 67.696 -40.112 1.00 0.00 C ATOM 590 CZ2 TRP A 36 50.496 70.065 -38.949 1.00 0.00 C ATOM 591 CZ3 TRP A 36 52.125 68.914 -40.324 1.00 0.00 C ATOM 592 CH2 TRP A 36 51.644 70.096 -39.743 1.00 0.00 C ATOM 0 H TRP A 36 50.101 65.421 -36.833 1.00 0.00 H new ATOM 0 HA TRP A 36 47.774 64.302 -38.243 1.00 0.00 H new ATOM 0 HB2 TRP A 36 50.516 64.820 -39.425 1.00 0.00 H new ATOM 0 HB3 TRP A 36 48.951 64.932 -40.204 1.00 0.00 H new ATOM 0 HD1 TRP A 36 47.633 66.608 -37.670 1.00 0.00 H new ATOM 0 HE1 TRP A 36 48.134 69.137 -37.494 1.00 0.00 H new ATOM 0 HE3 TRP A 36 51.837 66.791 -40.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 50.122 70.973 -38.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 53.013 68.940 -40.938 1.00 0.00 H new ATOM 0 HH2 TRP A 36 52.161 71.029 -39.910 1.00 0.00 H new ATOM 603 N TRP A 37 48.558 61.931 -38.692 1.00 0.00 N ATOM 604 CA TRP A 37 49.024 60.519 -38.793 1.00 0.00 C ATOM 605 C TRP A 37 49.124 60.138 -40.266 1.00 0.00 C ATOM 606 O TRP A 37 49.149 60.987 -41.127 1.00 0.00 O ATOM 607 CB TRP A 37 48.029 59.597 -38.079 1.00 0.00 C ATOM 608 CG TRP A 37 48.092 59.840 -36.605 1.00 0.00 C ATOM 609 CD1 TRP A 37 49.000 60.628 -35.984 1.00 0.00 C ATOM 610 CD2 TRP A 37 47.230 59.305 -35.557 1.00 0.00 C ATOM 611 NE1 TRP A 37 48.751 60.612 -34.624 1.00 0.00 N ATOM 612 CE2 TRP A 37 47.670 59.811 -34.311 1.00 0.00 C ATOM 613 CE3 TRP A 37 46.122 58.439 -35.568 1.00 0.00 C ATOM 614 CZ2 TRP A 37 47.032 59.470 -33.117 1.00 0.00 C ATOM 615 CZ3 TRP A 37 45.478 58.095 -34.368 1.00 0.00 C ATOM 616 CH2 TRP A 37 45.932 58.609 -33.146 1.00 0.00 C ATOM 0 H TRP A 37 47.601 62.099 -39.001 1.00 0.00 H new ATOM 0 HA TRP A 37 50.001 60.414 -38.321 1.00 0.00 H new ATOM 0 HB2 TRP A 37 47.019 59.781 -38.446 1.00 0.00 H new ATOM 0 HB3 TRP A 37 48.262 58.555 -38.297 1.00 0.00 H new ATOM 0 HD1 TRP A 37 49.790 61.180 -36.471 1.00 0.00 H new ATOM 0 HE1 TRP A 37 49.299 61.129 -33.936 1.00 0.00 H new ATOM 0 HE3 TRP A 37 45.764 58.036 -36.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 47.386 59.869 -32.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 44.627 57.430 -34.387 1.00 0.00 H new ATOM 0 HH2 TRP A 37 45.432 58.340 -32.227 1.00 0.00 H new ATOM 627 N ARG A 38 49.173 58.873 -40.567 1.00 0.00 N ATOM 628 CA ARG A 38 49.259 58.449 -41.990 1.00 0.00 C ATOM 629 C ARG A 38 48.023 57.620 -42.310 1.00 0.00 C ATOM 630 O ARG A 38 48.064 56.406 -42.331 1.00 0.00 O ATOM 631 CB ARG A 38 50.518 57.606 -42.203 1.00 0.00 C ATOM 632 CG ARG A 38 51.295 58.142 -43.408 1.00 0.00 C ATOM 633 CD ARG A 38 51.723 56.975 -44.299 1.00 0.00 C ATOM 634 NE ARG A 38 52.924 57.367 -45.088 1.00 0.00 N ATOM 635 CZ ARG A 38 53.419 56.547 -45.975 1.00 0.00 C ATOM 636 NH1 ARG A 38 53.200 55.264 -45.870 1.00 0.00 N ATOM 637 NH2 ARG A 38 54.131 57.008 -46.965 1.00 0.00 N ATOM 0 H ARG A 38 49.157 58.112 -39.888 1.00 0.00 H new ATOM 0 HA ARG A 38 49.309 59.320 -42.643 1.00 0.00 H new ATOM 0 HB2 ARG A 38 51.144 57.636 -41.311 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.247 56.563 -42.367 1.00 0.00 H new ATOM 0 HG2 ARG A 38 50.675 58.837 -43.974 1.00 0.00 H new ATOM 0 HG3 ARG A 38 52.171 58.697 -43.072 1.00 0.00 H new ATOM 0 HD2 ARG A 38 51.946 56.100 -43.688 1.00 0.00 H new ATOM 0 HD3 ARG A 38 50.909 56.698 -44.969 1.00 0.00 H new ATOM 0 HE ARG A 38 53.360 58.276 -44.935 1.00 0.00 H new ATOM 0 HH11 ARG A 38 52.643 54.903 -45.096 1.00 0.00 H new ATOM 0 HH12 ARG A 38 53.586 54.622 -46.562 1.00 0.00 H new ATOM 0 HH21 ARG A 38 54.302 58.010 -47.047 1.00 0.00 H new ATOM 0 HH22 ARG A 38 54.517 56.366 -47.657 1.00 0.00 H new ATOM 651 N ALA A 39 46.913 58.266 -42.525 1.00 0.00 N ATOM 652 CA ALA A 39 45.664 57.513 -42.803 1.00 0.00 C ATOM 653 C ALA A 39 45.154 57.813 -44.211 1.00 0.00 C ATOM 654 O ALA A 39 45.544 58.776 -44.840 1.00 0.00 O ATOM 655 CB ALA A 39 44.596 57.944 -41.794 1.00 0.00 C ATOM 0 H ALA A 39 46.818 59.282 -42.520 1.00 0.00 H new ATOM 0 HA ALA A 39 45.870 56.446 -42.721 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.672 57.398 -41.987 1.00 0.00 H new ATOM 0 HB2 ALA A 39 44.942 57.727 -40.783 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.413 59.014 -41.893 1.00 0.00 H new ATOM 661 N ARG A 40 44.255 57.002 -44.688 1.00 0.00 N ATOM 662 CA ARG A 40 43.666 57.231 -46.034 1.00 0.00 C ATOM 663 C ARG A 40 42.208 57.629 -45.823 1.00 0.00 C ATOM 664 O ARG A 40 41.379 56.813 -45.472 1.00 0.00 O ATOM 665 CB ARG A 40 43.744 55.947 -46.861 1.00 0.00 C ATOM 666 CG ARG A 40 42.924 56.114 -48.143 1.00 0.00 C ATOM 667 CD ARG A 40 42.683 54.743 -48.777 1.00 0.00 C ATOM 668 NE ARG A 40 41.903 53.890 -47.838 1.00 0.00 N ATOM 669 CZ ARG A 40 41.981 52.590 -47.919 1.00 0.00 C ATOM 670 NH1 ARG A 40 42.140 52.017 -49.081 1.00 0.00 N ATOM 671 NH2 ARG A 40 41.900 51.862 -46.839 1.00 0.00 N ATOM 0 H ARG A 40 43.899 56.181 -44.198 1.00 0.00 H new ATOM 0 HA ARG A 40 44.207 58.011 -46.569 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.782 55.723 -47.107 1.00 0.00 H new ATOM 0 HB3 ARG A 40 43.365 55.105 -46.282 1.00 0.00 H new ATOM 0 HG2 ARG A 40 41.972 56.595 -47.918 1.00 0.00 H new ATOM 0 HG3 ARG A 40 43.451 56.762 -48.843 1.00 0.00 H new ATOM 0 HD2 ARG A 40 42.143 54.855 -49.717 1.00 0.00 H new ATOM 0 HD3 ARG A 40 43.635 54.267 -49.012 1.00 0.00 H new ATOM 0 HE ARG A 40 41.308 54.322 -47.131 1.00 0.00 H new ATOM 0 HH11 ARG A 40 42.203 52.585 -49.926 1.00 0.00 H new ATOM 0 HH12 ARG A 40 42.201 51.001 -49.144 1.00 0.00 H new ATOM 0 HH21 ARG A 40 41.776 52.309 -45.931 1.00 0.00 H new ATOM 0 HH22 ARG A 40 41.961 50.846 -46.903 1.00 0.00 H new ATOM 685 N ASP A 41 41.890 58.879 -45.997 1.00 0.00 N ATOM 686 CA ASP A 41 40.487 59.318 -45.763 1.00 0.00 C ATOM 687 C ASP A 41 39.530 58.486 -46.614 1.00 0.00 C ATOM 688 O ASP A 41 39.940 57.699 -47.444 1.00 0.00 O ATOM 689 CB ASP A 41 40.339 60.799 -46.112 1.00 0.00 C ATOM 690 CG ASP A 41 40.904 61.055 -47.511 1.00 0.00 C ATOM 691 OD1 ASP A 41 41.525 60.154 -48.051 1.00 0.00 O ATOM 692 OD2 ASP A 41 40.707 62.147 -48.017 1.00 0.00 O ATOM 0 H ASP A 41 42.536 59.613 -46.289 1.00 0.00 H new ATOM 0 HA ASP A 41 40.242 59.174 -44.711 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.289 61.089 -46.074 1.00 0.00 H new ATOM 0 HB3 ASP A 41 40.865 61.410 -45.379 1.00 0.00 H new ATOM 697 N LYS A 42 38.252 58.652 -46.407 1.00 0.00 N ATOM 698 CA LYS A 42 37.259 57.868 -47.195 1.00 0.00 C ATOM 699 C LYS A 42 37.255 58.350 -48.647 1.00 0.00 C ATOM 700 O LYS A 42 36.587 57.789 -49.492 1.00 0.00 O ATOM 701 CB LYS A 42 35.866 58.057 -46.589 1.00 0.00 C ATOM 702 CG LYS A 42 35.248 56.689 -46.293 1.00 0.00 C ATOM 703 CD LYS A 42 33.869 56.879 -45.658 1.00 0.00 C ATOM 704 CE LYS A 42 33.486 55.620 -44.880 1.00 0.00 C ATOM 705 NZ LYS A 42 32.067 55.725 -44.435 1.00 0.00 N ATOM 0 H LYS A 42 37.852 59.297 -45.726 1.00 0.00 H new ATOM 0 HA LYS A 42 37.529 56.812 -47.168 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.933 58.643 -45.673 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.231 58.614 -47.278 1.00 0.00 H new ATOM 0 HG2 LYS A 42 35.160 56.111 -47.213 1.00 0.00 H new ATOM 0 HG3 LYS A 42 35.894 56.124 -45.622 1.00 0.00 H new ATOM 0 HD2 LYS A 42 33.880 57.742 -44.992 1.00 0.00 H new ATOM 0 HD3 LYS A 42 33.127 57.082 -46.430 1.00 0.00 H new ATOM 0 HE2 LYS A 42 33.618 54.738 -45.507 1.00 0.00 H new ATOM 0 HE3 LYS A 42 34.141 55.499 -44.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 31.805 54.869 -43.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 31.956 56.558 -43.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 31.449 55.821 -45.266 1.00 0.00 H new ATOM 719 N ASN A 43 37.998 59.380 -48.947 1.00 0.00 N ATOM 720 CA ASN A 43 38.035 59.882 -50.347 1.00 0.00 C ATOM 721 C ASN A 43 38.977 59.004 -51.173 1.00 0.00 C ATOM 722 O ASN A 43 39.245 59.277 -52.326 1.00 0.00 O ATOM 723 CB ASN A 43 38.544 61.325 -50.360 1.00 0.00 C ATOM 724 CG ASN A 43 37.842 62.102 -51.477 1.00 0.00 C ATOM 725 OD1 ASN A 43 36.666 61.913 -51.718 1.00 0.00 O ATOM 726 ND2 ASN A 43 38.520 62.973 -52.172 1.00 0.00 N ATOM 0 H ASN A 43 38.579 59.893 -48.284 1.00 0.00 H new ATOM 0 HA ASN A 43 37.032 59.848 -50.773 1.00 0.00 H new ATOM 0 HB2 ASN A 43 38.353 61.798 -49.397 1.00 0.00 H new ATOM 0 HB3 ASN A 43 39.623 61.340 -50.514 1.00 0.00 H new ATOM 0 HD21 ASN A 43 38.063 63.496 -52.919 1.00 0.00 H new ATOM 0 HD22 ASN A 43 39.507 63.131 -51.969 1.00 0.00 H new ATOM 733 N GLY A 44 39.484 57.949 -50.591 1.00 0.00 N ATOM 734 CA GLY A 44 40.408 57.058 -51.342 1.00 0.00 C ATOM 735 C GLY A 44 41.734 57.781 -51.567 1.00 0.00 C ATOM 736 O GLY A 44 42.316 57.711 -52.631 1.00 0.00 O ATOM 0 H GLY A 44 39.297 57.668 -49.628 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.574 56.135 -50.786 1.00 0.00 H new ATOM 0 HA3 GLY A 44 39.966 56.779 -52.298 1.00 0.00 H new ATOM 740 N GLN A 45 42.221 58.476 -50.574 1.00 0.00 N ATOM 741 CA GLN A 45 43.504 59.196 -50.735 1.00 0.00 C ATOM 742 C GLN A 45 44.331 59.012 -49.469 1.00 0.00 C ATOM 743 O GLN A 45 43.888 59.322 -48.380 1.00 0.00 O ATOM 744 CB GLN A 45 43.226 60.684 -50.955 1.00 0.00 C ATOM 745 CG GLN A 45 44.205 61.242 -51.990 1.00 0.00 C ATOM 746 CD GLN A 45 43.989 62.750 -52.139 1.00 0.00 C ATOM 747 OE1 GLN A 45 44.822 63.537 -51.735 1.00 0.00 O ATOM 748 NE2 GLN A 45 42.898 63.187 -52.706 1.00 0.00 N ATOM 0 H GLN A 45 41.780 58.573 -49.659 1.00 0.00 H new ATOM 0 HA GLN A 45 44.049 58.802 -51.593 1.00 0.00 H new ATOM 0 HB2 GLN A 45 42.201 60.826 -51.296 1.00 0.00 H new ATOM 0 HB3 GLN A 45 43.327 61.226 -50.015 1.00 0.00 H new ATOM 0 HG2 GLN A 45 45.231 61.040 -51.681 1.00 0.00 H new ATOM 0 HG3 GLN A 45 44.057 60.747 -52.950 1.00 0.00 H new ATOM 0 HE21 GLN A 45 42.199 62.526 -53.045 1.00 0.00 H new ATOM 0 HE22 GLN A 45 42.744 64.190 -52.810 1.00 0.00 H new ATOM 757 N GLU A 46 45.527 58.509 -49.603 1.00 0.00 N ATOM 758 CA GLU A 46 46.388 58.310 -48.409 1.00 0.00 C ATOM 759 C GLU A 46 47.127 59.615 -48.127 1.00 0.00 C ATOM 760 O GLU A 46 47.685 60.224 -49.018 1.00 0.00 O ATOM 761 CB GLU A 46 47.396 57.193 -48.685 1.00 0.00 C ATOM 762 CG GLU A 46 46.683 56.027 -49.373 1.00 0.00 C ATOM 763 CD GLU A 46 47.716 55.001 -49.842 1.00 0.00 C ATOM 764 OE1 GLU A 46 48.861 55.115 -49.437 1.00 0.00 O ATOM 765 OE2 GLU A 46 47.346 54.120 -50.600 1.00 0.00 O ATOM 0 H GLU A 46 45.944 58.227 -50.490 1.00 0.00 H new ATOM 0 HA GLU A 46 45.781 58.031 -47.548 1.00 0.00 H new ATOM 0 HB2 GLU A 46 48.203 57.564 -49.316 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.849 56.858 -47.752 1.00 0.00 H new ATOM 0 HG2 GLU A 46 45.979 55.561 -48.684 1.00 0.00 H new ATOM 0 HG3 GLU A 46 46.105 56.391 -50.222 1.00 0.00 H new ATOM 772 N GLY A 47 47.124 60.066 -46.906 1.00 0.00 N ATOM 773 CA GLY A 47 47.814 61.344 -46.601 1.00 0.00 C ATOM 774 C GLY A 47 47.926 61.538 -45.091 1.00 0.00 C ATOM 775 O GLY A 47 47.719 60.625 -44.314 1.00 0.00 O ATOM 0 H GLY A 47 46.677 59.608 -46.112 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.808 61.345 -47.049 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.265 62.176 -47.042 1.00 0.00 H new ATOM 779 N TYR A 48 48.254 62.728 -44.674 1.00 0.00 N ATOM 780 CA TYR A 48 48.382 62.995 -43.216 1.00 0.00 C ATOM 781 C TYR A 48 47.044 63.494 -42.667 1.00 0.00 C ATOM 782 O TYR A 48 46.432 64.393 -43.207 1.00 0.00 O ATOM 783 CB TYR A 48 49.470 64.046 -42.972 1.00 0.00 C ATOM 784 CG TYR A 48 50.824 63.376 -42.954 1.00 0.00 C ATOM 785 CD1 TYR A 48 51.282 62.698 -44.089 1.00 0.00 C ATOM 786 CD2 TYR A 48 51.619 63.435 -41.805 1.00 0.00 C ATOM 787 CE1 TYR A 48 52.537 62.079 -44.075 1.00 0.00 C ATOM 788 CE2 TYR A 48 52.875 62.816 -41.790 1.00 0.00 C ATOM 789 CZ TYR A 48 53.334 62.137 -42.926 1.00 0.00 C ATOM 790 OH TYR A 48 54.571 61.528 -42.913 1.00 0.00 O ATOM 0 H TYR A 48 48.439 63.527 -45.280 1.00 0.00 H new ATOM 0 HA TYR A 48 48.659 62.073 -42.705 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.439 64.805 -43.753 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.292 64.556 -42.025 1.00 0.00 H new ATOM 0 HD1 TYR A 48 50.667 62.652 -44.976 1.00 0.00 H new ATOM 0 HD2 TYR A 48 51.264 63.958 -40.929 1.00 0.00 H new ATOM 0 HE1 TYR A 48 52.891 61.556 -44.951 1.00 0.00 H new ATOM 0 HE2 TYR A 48 53.489 62.862 -40.903 1.00 0.00 H new ATOM 0 HH TYR A 48 54.994 61.665 -42.039 1.00 0.00 H new ATOM 800 N ILE A 49 46.581 62.911 -41.597 1.00 0.00 N ATOM 801 CA ILE A 49 45.279 63.338 -41.011 1.00 0.00 C ATOM 802 C ILE A 49 45.507 63.785 -39.560 1.00 0.00 C ATOM 803 O ILE A 49 46.178 63.107 -38.810 1.00 0.00 O ATOM 804 CB ILE A 49 44.320 62.154 -41.058 1.00 0.00 C ATOM 805 CG1 ILE A 49 43.935 61.870 -42.509 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.057 62.439 -40.240 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.162 61.344 -43.254 1.00 0.00 C ATOM 0 H ILE A 49 47.050 62.154 -41.100 1.00 0.00 H new ATOM 0 HA ILE A 49 44.855 64.170 -41.573 1.00 0.00 H new ATOM 0 HB ILE A 49 44.820 61.286 -40.628 1.00 0.00 H new ATOM 0 HG12 ILE A 49 43.128 61.138 -42.548 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.566 62.778 -42.985 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.389 61.579 -40.290 1.00 0.00 H new ATOM 0 HG22 ILE A 49 43.331 62.626 -39.202 1.00 0.00 H new ATOM 0 HG23 ILE A 49 42.551 63.315 -40.645 1.00 0.00 H new ATOM 0 HD11 ILE A 49 44.897 61.138 -44.291 1.00 0.00 H new ATOM 0 HD12 ILE A 49 45.955 62.092 -43.223 1.00 0.00 H new ATOM 0 HD13 ILE A 49 45.510 60.427 -42.779 1.00 0.00 H new ATOM 819 N PRO A 50 44.957 64.921 -39.208 1.00 0.00 N ATOM 820 CA PRO A 50 45.109 65.491 -37.855 1.00 0.00 C ATOM 821 C PRO A 50 44.247 64.744 -36.833 1.00 0.00 C ATOM 822 O PRO A 50 43.281 64.092 -37.174 1.00 0.00 O ATOM 823 CB PRO A 50 44.640 66.938 -38.020 1.00 0.00 C ATOM 824 CG PRO A 50 43.737 66.965 -39.274 1.00 0.00 C ATOM 825 CD PRO A 50 44.125 65.736 -40.117 1.00 0.00 C ATOM 0 HA PRO A 50 46.130 65.416 -37.480 1.00 0.00 H new ATOM 0 HB2 PRO A 50 44.091 67.271 -37.139 1.00 0.00 H new ATOM 0 HB3 PRO A 50 45.490 67.610 -38.139 1.00 0.00 H new ATOM 0 HG2 PRO A 50 42.684 66.928 -38.995 1.00 0.00 H new ATOM 0 HG3 PRO A 50 43.885 67.885 -39.839 1.00 0.00 H new ATOM 0 HD2 PRO A 50 43.244 65.187 -40.450 1.00 0.00 H new ATOM 0 HD3 PRO A 50 44.677 66.025 -41.011 1.00 0.00 H new ATOM 832 N SER A 51 44.600 64.837 -35.577 1.00 0.00 N ATOM 833 CA SER A 51 43.818 64.140 -34.519 1.00 0.00 C ATOM 834 C SER A 51 43.023 65.164 -33.704 1.00 0.00 C ATOM 835 O SER A 51 41.917 64.906 -33.273 1.00 0.00 O ATOM 836 CB SER A 51 44.777 63.393 -33.594 1.00 0.00 C ATOM 837 OG SER A 51 45.261 62.232 -34.256 1.00 0.00 O ATOM 0 H SER A 51 45.402 65.370 -35.239 1.00 0.00 H new ATOM 0 HA SER A 51 43.128 63.435 -34.984 1.00 0.00 H new ATOM 0 HB2 SER A 51 45.609 64.040 -33.315 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.267 63.114 -32.672 1.00 0.00 H new ATOM 0 HG SER A 51 45.765 61.680 -33.622 1.00 0.00 H new ATOM 843 N ASN A 52 43.579 66.325 -33.483 1.00 0.00 N ATOM 844 CA ASN A 52 42.853 67.361 -32.692 1.00 0.00 C ATOM 845 C ASN A 52 41.703 67.929 -33.525 1.00 0.00 C ATOM 846 O ASN A 52 40.847 68.631 -33.023 1.00 0.00 O ATOM 847 CB ASN A 52 43.817 68.489 -32.318 1.00 0.00 C ATOM 848 CG ASN A 52 44.555 68.965 -33.572 1.00 0.00 C ATOM 849 OD1 ASN A 52 44.163 68.652 -34.678 1.00 0.00 O ATOM 850 ND2 ASN A 52 45.615 69.714 -33.443 1.00 0.00 N ATOM 0 H ASN A 52 44.503 66.601 -33.815 1.00 0.00 H new ATOM 0 HA ASN A 52 42.454 66.908 -31.784 1.00 0.00 H new ATOM 0 HB2 ASN A 52 43.268 69.317 -31.869 1.00 0.00 H new ATOM 0 HB3 ASN A 52 44.532 68.139 -31.573 1.00 0.00 H new ATOM 0 HD21 ASN A 52 46.115 70.037 -34.271 1.00 0.00 H new ATOM 0 HD22 ASN A 52 45.944 69.977 -32.514 1.00 0.00 H new ATOM 857 N TYR A 53 41.674 67.627 -34.793 1.00 0.00 N ATOM 858 CA TYR A 53 40.578 68.145 -35.661 1.00 0.00 C ATOM 859 C TYR A 53 39.790 66.962 -36.225 1.00 0.00 C ATOM 860 O TYR A 53 39.264 67.015 -37.319 1.00 0.00 O ATOM 861 CB TYR A 53 41.180 68.955 -36.812 1.00 0.00 C ATOM 862 CG TYR A 53 40.997 70.429 -36.545 1.00 0.00 C ATOM 863 CD1 TYR A 53 40.920 70.900 -35.228 1.00 0.00 C ATOM 864 CD2 TYR A 53 40.905 71.327 -37.615 1.00 0.00 C ATOM 865 CE1 TYR A 53 40.750 72.268 -34.983 1.00 0.00 C ATOM 866 CE2 TYR A 53 40.736 72.696 -37.369 1.00 0.00 C ATOM 867 CZ TYR A 53 40.658 73.166 -36.053 1.00 0.00 C ATOM 868 OH TYR A 53 40.489 74.513 -35.811 1.00 0.00 O ATOM 0 H TYR A 53 42.363 67.043 -35.267 1.00 0.00 H new ATOM 0 HA TYR A 53 39.915 68.785 -35.079 1.00 0.00 H new ATOM 0 HB2 TYR A 53 42.240 68.723 -36.918 1.00 0.00 H new ATOM 0 HB3 TYR A 53 40.699 68.683 -37.752 1.00 0.00 H new ATOM 0 HD1 TYR A 53 40.992 70.208 -34.402 1.00 0.00 H new ATOM 0 HD2 TYR A 53 40.964 70.964 -38.631 1.00 0.00 H new ATOM 0 HE1 TYR A 53 40.690 72.631 -33.968 1.00 0.00 H new ATOM 0 HE2 TYR A 53 40.666 73.388 -38.195 1.00 0.00 H new ATOM 0 HH TYR A 53 40.445 74.995 -36.663 1.00 0.00 H new ATOM 878 N VAL A 54 39.716 65.892 -35.483 1.00 0.00 N ATOM 879 CA VAL A 54 38.981 64.685 -35.958 1.00 0.00 C ATOM 880 C VAL A 54 38.417 63.932 -34.764 1.00 0.00 C ATOM 881 O VAL A 54 38.005 64.515 -33.782 1.00 0.00 O ATOM 882 CB VAL A 54 39.948 63.786 -36.718 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.660 64.600 -37.794 1.00 0.00 C ATOM 884 CG2 VAL A 54 40.961 63.220 -35.731 1.00 0.00 C ATOM 0 H VAL A 54 40.137 65.801 -34.559 1.00 0.00 H new ATOM 0 HA VAL A 54 38.162 64.983 -36.613 1.00 0.00 H new ATOM 0 HB VAL A 54 39.408 62.969 -37.197 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.352 63.957 -38.338 1.00 0.00 H new ATOM 0 HG12 VAL A 54 39.925 65.010 -38.486 1.00 0.00 H new ATOM 0 HG13 VAL A 54 41.213 65.415 -37.327 1.00 0.00 H new ATOM 0 HG21 VAL A 54 41.662 62.573 -36.259 1.00 0.00 H new ATOM 0 HG22 VAL A 54 41.506 64.038 -35.260 1.00 0.00 H new ATOM 0 HG23 VAL A 54 40.441 62.643 -34.966 1.00 0.00 H new ATOM 894 N THR A 55 38.375 62.641 -34.854 1.00 0.00 N ATOM 895 CA THR A 55 37.816 61.842 -33.750 1.00 0.00 C ATOM 896 C THR A 55 38.269 60.387 -33.947 1.00 0.00 C ATOM 897 O THR A 55 39.022 60.102 -34.848 1.00 0.00 O ATOM 898 CB THR A 55 36.291 62.023 -33.789 1.00 0.00 C ATOM 899 OG1 THR A 55 35.937 63.108 -32.945 1.00 0.00 O ATOM 900 CG2 THR A 55 35.538 60.771 -33.329 1.00 0.00 C ATOM 0 H THR A 55 38.708 62.103 -35.654 1.00 0.00 H new ATOM 0 HA THR A 55 38.163 62.155 -32.765 1.00 0.00 H new ATOM 0 HB THR A 55 36.008 62.215 -34.824 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.404 63.918 -33.240 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.465 60.954 -33.376 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.792 59.934 -33.979 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.821 60.533 -32.304 1.00 0.00 H new ATOM 908 N GLU A 56 37.855 59.481 -33.110 1.00 0.00 N ATOM 909 CA GLU A 56 38.298 58.063 -33.250 1.00 0.00 C ATOM 910 C GLU A 56 39.830 57.996 -33.156 1.00 0.00 C ATOM 911 O GLU A 56 40.405 58.435 -32.181 1.00 0.00 O ATOM 912 CB GLU A 56 37.796 57.482 -34.569 1.00 0.00 C ATOM 913 CG GLU A 56 36.299 57.188 -34.453 1.00 0.00 C ATOM 914 CD GLU A 56 35.801 56.540 -35.747 1.00 0.00 C ATOM 915 OE1 GLU A 56 36.153 55.396 -35.985 1.00 0.00 O ATOM 916 OE2 GLU A 56 35.079 57.199 -36.475 1.00 0.00 O ATOM 0 H GLU A 56 37.224 59.660 -32.329 1.00 0.00 H new ATOM 0 HA GLU A 56 37.875 57.464 -32.443 1.00 0.00 H new ATOM 0 HB2 GLU A 56 37.979 58.184 -35.382 1.00 0.00 H new ATOM 0 HB3 GLU A 56 38.341 56.569 -34.808 1.00 0.00 H new ATOM 0 HG2 GLU A 56 36.113 56.526 -33.608 1.00 0.00 H new ATOM 0 HG3 GLU A 56 35.751 58.110 -34.262 1.00 0.00 H new ATOM 923 N ALA A 57 40.502 57.443 -34.135 1.00 0.00 N ATOM 924 CA ALA A 57 41.989 57.356 -34.052 1.00 0.00 C ATOM 925 C ALA A 57 42.600 58.762 -33.967 1.00 0.00 C ATOM 926 O ALA A 57 43.158 59.266 -34.920 1.00 0.00 O ATOM 927 CB ALA A 57 42.521 56.645 -35.295 1.00 0.00 C ATOM 0 H ALA A 57 40.088 57.051 -34.981 1.00 0.00 H new ATOM 0 HA ALA A 57 42.264 56.797 -33.158 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.608 56.579 -35.239 1.00 0.00 H new ATOM 0 HB2 ALA A 57 42.099 55.642 -35.349 1.00 0.00 H new ATOM 0 HB3 ALA A 57 42.237 57.207 -36.185 1.00 0.00 H new ATOM 933 N GLU A 58 42.509 59.398 -32.832 1.00 0.00 N ATOM 934 CA GLU A 58 43.091 60.764 -32.695 1.00 0.00 C ATOM 935 C GLU A 58 43.825 60.876 -31.358 1.00 0.00 C ATOM 936 O GLU A 58 43.156 60.951 -30.341 1.00 0.00 O ATOM 937 CB GLU A 58 41.970 61.805 -32.752 1.00 0.00 C ATOM 938 CG GLU A 58 40.822 61.375 -31.838 1.00 0.00 C ATOM 939 CD GLU A 58 40.663 62.392 -30.706 1.00 0.00 C ATOM 940 OE1 GLU A 58 41.148 63.501 -30.860 1.00 0.00 O ATOM 941 OE2 GLU A 58 40.060 62.044 -29.704 1.00 0.00 O ATOM 942 OXT GLU A 58 45.046 60.886 -31.374 1.00 0.00 O ATOM 0 H GLU A 58 42.057 59.032 -31.994 1.00 0.00 H new ATOM 0 HA GLU A 58 43.793 60.942 -33.509 1.00 0.00 H new ATOM 0 HB2 GLU A 58 42.349 62.779 -32.443 1.00 0.00 H new ATOM 0 HB3 GLU A 58 41.612 61.913 -33.776 1.00 0.00 H new ATOM 0 HG2 GLU A 58 39.896 61.302 -32.409 1.00 0.00 H new ATOM 0 HG3 GLU A 58 41.021 60.385 -31.427 1.00 0.00 H new