USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot -38:sc= 0.575 USER MOD Set 1.2: A 52 THR OG1 : rot 55:sc= 0.587 USER MOD Set 2.1: A 33 GLN :FLIP amide:sc= -0.0333 X(o=0.57,f=0.72) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.749 X(o=0.72,f=0.57) USER MOD Set 3.1: A 17 THR OG1 : rot 155:sc= 0.18 USER MOD Set 3.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.00881) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.192 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.00534 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -170:sc=-0.00816 (180deg=-0.0881) USER MOD Single : A 9 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.2) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc=-0.00461 (180deg=-0.113) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 130:sc= 0 USER MOD Single : A 26 THR OG1 : rot 76:sc= 0.198 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 1.17 K(o=1.2,f=-0.32) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 46 TYR OH : rot -150:sc= 1.2 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.097 -0.534 0.223 1.00 0.00 N ATOM 2 CA MET A 1 -15.305 -1.238 -0.804 1.00 0.00 C ATOM 3 C MET A 1 -14.837 -0.214 -1.846 1.00 0.00 C ATOM 4 O MET A 1 -15.138 0.974 -1.702 1.00 0.00 O ATOM 5 CB MET A 1 -16.112 -2.438 -1.339 1.00 0.00 C ATOM 6 CG MET A 1 -15.397 -3.274 -2.407 1.00 0.00 C ATOM 7 SD MET A 1 -15.797 -5.032 -2.384 1.00 0.00 S ATOM 8 CE MET A 1 -14.267 -5.669 -3.124 1.00 0.00 C ATOM 0 H1 MET A 1 -15.675 -0.698 1.159 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.102 0.486 0.019 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.073 -0.893 0.215 1.00 0.00 H new ATOM 0 HA MET A 1 -14.392 -1.681 -0.405 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.368 -3.087 -0.502 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.050 -2.070 -1.755 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.645 -2.872 -3.389 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.321 -3.159 -2.278 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.383 -6.730 -3.343 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.057 -5.129 -4.047 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.441 -5.531 -2.427 1.00 0.00 H new ATOM 18 N GLY A 2 -14.138 -0.630 -2.906 1.00 0.00 N ATOM 19 CA GLY A 2 -13.635 0.232 -3.964 1.00 0.00 C ATOM 20 C GLY A 2 -12.169 -0.063 -4.247 1.00 0.00 C ATOM 21 O GLY A 2 -11.508 -0.761 -3.468 1.00 0.00 O ATOM 0 H GLY A 2 -13.902 -1.612 -3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.222 0.084 -4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.752 1.277 -3.675 1.00 0.00 H new ATOM 25 N THR A 3 -11.645 0.492 -5.337 1.00 0.00 N ATOM 26 CA THR A 3 -10.252 0.296 -5.706 1.00 0.00 C ATOM 27 C THR A 3 -9.374 1.246 -4.897 1.00 0.00 C ATOM 28 O THR A 3 -9.526 2.468 -4.965 1.00 0.00 O ATOM 29 CB THR A 3 -10.030 0.506 -7.205 1.00 0.00 C ATOM 30 OG1 THR A 3 -10.979 -0.239 -7.932 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.642 0.033 -7.644 1.00 0.00 C ATOM 0 H THR A 3 -12.170 1.084 -5.981 1.00 0.00 H new ATOM 0 HA THR A 3 -9.979 -0.735 -5.480 1.00 0.00 H new ATOM 0 HB THR A 3 -10.126 1.574 -7.399 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.837 -0.102 -8.892 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.523 0.199 -8.715 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.879 0.593 -7.103 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.534 -1.030 -7.427 1.00 0.00 H new ATOM 39 N TYR A 4 -8.511 0.653 -4.089 1.00 0.00 N ATOM 40 CA TYR A 4 -7.531 1.296 -3.236 1.00 0.00 C ATOM 41 C TYR A 4 -6.203 1.303 -4.003 1.00 0.00 C ATOM 42 O TYR A 4 -6.030 0.509 -4.936 1.00 0.00 O ATOM 43 CB TYR A 4 -7.361 0.464 -1.961 1.00 0.00 C ATOM 44 CG TYR A 4 -8.446 0.609 -0.923 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.372 1.680 -0.015 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.493 -0.328 -0.829 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.348 1.828 0.981 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.472 -0.180 0.167 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.397 0.893 1.085 1.00 0.00 C ATOM 50 OH TYR A 4 -11.374 1.075 2.009 1.00 0.00 O ATOM 0 H TYR A 4 -8.476 -0.363 -4.008 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.841 2.307 -2.972 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.295 -0.587 -2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.409 0.731 -1.502 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.562 2.390 -0.085 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.543 -1.157 -1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.296 2.659 1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.285 -0.888 0.232 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.022 0.342 1.949 1.00 0.00 H new ATOM 60 N LYS A 5 -5.229 2.113 -3.577 1.00 0.00 N ATOM 61 CA LYS A 5 -3.910 2.216 -4.206 1.00 0.00 C ATOM 62 C LYS A 5 -2.802 2.204 -3.162 1.00 0.00 C ATOM 63 O LYS A 5 -2.993 2.695 -2.052 1.00 0.00 O ATOM 64 CB LYS A 5 -3.826 3.506 -5.038 1.00 0.00 C ATOM 65 CG LYS A 5 -2.609 3.568 -5.988 1.00 0.00 C ATOM 66 CD LYS A 5 -1.863 4.908 -5.965 1.00 0.00 C ATOM 67 CE LYS A 5 -2.726 6.126 -6.311 1.00 0.00 C ATOM 68 NZ LYS A 5 -3.561 5.900 -7.505 1.00 0.00 N ATOM 0 H LYS A 5 -5.338 2.727 -2.770 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.776 1.352 -4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.738 3.605 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.789 4.360 -4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.913 2.773 -5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.946 3.369 -7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.434 5.053 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.031 4.858 -6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.367 6.367 -5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.082 6.989 -6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.996 6.798 -7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.970 5.532 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.307 5.211 -7.281 1.00 0.00 H new ATOM 82 N LEU A 6 -1.657 1.630 -3.502 1.00 0.00 N ATOM 83 CA LEU A 6 -0.476 1.566 -2.654 1.00 0.00 C ATOM 84 C LEU A 6 0.659 2.229 -3.414 1.00 0.00 C ATOM 85 O LEU A 6 0.818 1.979 -4.610 1.00 0.00 O ATOM 86 CB LEU A 6 -0.125 0.117 -2.321 1.00 0.00 C ATOM 87 CG LEU A 6 1.260 -0.101 -1.669 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.303 0.521 -0.267 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.575 -1.601 -1.622 1.00 0.00 C ATOM 0 H LEU A 6 -1.520 1.181 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.657 2.077 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.889 -0.278 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.171 -0.470 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 6 2.022 0.396 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.286 0.356 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.112 1.592 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.542 0.057 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.551 -1.753 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.813 -2.114 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.584 -2.003 -2.635 1.00 0.00 H new ATOM 101 N ILE A 7 1.449 3.025 -2.700 1.00 0.00 N ATOM 102 CA ILE A 7 2.610 3.748 -3.190 1.00 0.00 C ATOM 103 C ILE A 7 3.805 3.232 -2.391 1.00 0.00 C ATOM 104 O ILE A 7 3.917 3.430 -1.180 1.00 0.00 O ATOM 105 CB ILE A 7 2.428 5.279 -3.088 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.184 5.725 -3.882 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.692 6.006 -3.594 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.920 7.231 -3.854 1.00 0.00 C ATOM 0 H ILE A 7 1.283 3.190 -1.707 1.00 0.00 H new ATOM 0 HA ILE A 7 2.764 3.570 -4.254 1.00 0.00 H new ATOM 0 HB ILE A 7 2.278 5.544 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.297 5.408 -4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.310 5.208 -3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.548 7.084 -3.516 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.549 5.710 -2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.873 5.739 -4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.027 7.455 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.771 7.555 -2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.773 7.758 -4.281 1.00 0.00 H new ATOM 120 N LEU A 8 4.660 2.477 -3.061 1.00 0.00 N ATOM 121 CA LEU A 8 5.871 1.900 -2.522 1.00 0.00 C ATOM 122 C LEU A 8 6.940 2.977 -2.715 1.00 0.00 C ATOM 123 O LEU A 8 7.349 3.248 -3.849 1.00 0.00 O ATOM 124 CB LEU A 8 6.207 0.620 -3.310 1.00 0.00 C ATOM 125 CG LEU A 8 5.243 -0.544 -3.127 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.711 -1.712 -4.010 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.152 -1.050 -1.695 1.00 0.00 C ATOM 0 H LEU A 8 4.517 2.241 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 8 5.789 1.617 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.248 0.869 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.205 0.290 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 8 4.255 -0.175 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.030 -2.555 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.720 -1.398 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.716 -2.013 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.446 -1.879 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.134 -1.390 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.811 -0.244 -1.045 1.00 0.00 H new ATOM 139 N ASN A 9 7.318 3.646 -1.629 1.00 0.00 N ATOM 140 CA ASN A 9 8.333 4.701 -1.583 1.00 0.00 C ATOM 141 C ASN A 9 9.562 4.128 -0.869 1.00 0.00 C ATOM 142 O ASN A 9 9.908 4.540 0.244 1.00 0.00 O ATOM 143 CB ASN A 9 7.827 5.949 -0.823 1.00 0.00 C ATOM 144 CG ASN A 9 7.026 6.935 -1.643 1.00 0.00 C ATOM 145 OD1 ASN A 9 6.962 6.871 -2.864 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.429 7.904 -0.979 1.00 0.00 N ATOM 0 H ASN A 9 6.908 3.461 -0.714 1.00 0.00 H new ATOM 0 HA ASN A 9 8.572 5.016 -2.599 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.213 5.618 0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.687 6.469 -0.402 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.902 8.618 -1.482 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.494 7.940 0.038 1.00 0.00 H new ATOM 153 N GLY A 10 10.318 3.267 -1.547 1.00 0.00 N ATOM 154 CA GLY A 10 11.493 2.652 -0.968 1.00 0.00 C ATOM 155 C GLY A 10 12.807 3.276 -1.388 1.00 0.00 C ATOM 156 O GLY A 10 12.964 3.879 -2.452 1.00 0.00 O ATOM 0 H GLY A 10 10.128 2.982 -2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.414 2.701 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.505 1.596 -1.239 1.00 0.00 H new ATOM 160 N LYS A 11 13.796 3.060 -0.533 1.00 0.00 N ATOM 161 CA LYS A 11 15.159 3.543 -0.712 1.00 0.00 C ATOM 162 C LYS A 11 15.895 2.750 -1.785 1.00 0.00 C ATOM 163 O LYS A 11 16.876 3.250 -2.344 1.00 0.00 O ATOM 164 CB LYS A 11 15.905 3.390 0.614 1.00 0.00 C ATOM 165 CG LYS A 11 15.186 4.118 1.758 1.00 0.00 C ATOM 166 CD LYS A 11 15.976 4.031 3.057 1.00 0.00 C ATOM 167 CE LYS A 11 17.297 4.792 2.982 1.00 0.00 C ATOM 168 NZ LYS A 11 17.093 6.247 2.862 1.00 0.00 N ATOM 0 H LYS A 11 13.670 2.529 0.329 1.00 0.00 H new ATOM 0 HA LYS A 11 15.120 4.586 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.999 2.332 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.916 3.784 0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.039 5.164 1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.197 3.684 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.374 4.431 3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.174 2.985 3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.887 4.582 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.872 4.435 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.003 6.736 2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.705 6.467 1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.427 6.566 3.595 1.00 0.00 H new ATOM 182 N THR A 12 15.404 1.560 -2.110 1.00 0.00 N ATOM 183 CA THR A 12 15.967 0.640 -3.096 1.00 0.00 C ATOM 184 C THR A 12 14.994 0.275 -4.217 1.00 0.00 C ATOM 185 O THR A 12 15.400 0.229 -5.381 1.00 0.00 O ATOM 186 CB THR A 12 16.405 -0.641 -2.368 1.00 0.00 C ATOM 187 OG1 THR A 12 15.347 -1.127 -1.564 1.00 0.00 O ATOM 188 CG2 THR A 12 17.647 -0.394 -1.514 1.00 0.00 C ATOM 0 H THR A 12 14.560 1.190 -1.672 1.00 0.00 H new ATOM 0 HA THR A 12 16.808 1.145 -3.570 1.00 0.00 H new ATOM 0 HB THR A 12 16.657 -1.390 -3.119 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.634 -1.944 -1.105 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.933 -1.318 -1.011 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.466 -0.059 -2.151 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.430 0.372 -0.769 1.00 0.00 H new ATOM 196 N LEU A 13 13.717 0.046 -3.899 1.00 0.00 N ATOM 197 CA LEU A 13 12.688 -0.341 -4.860 1.00 0.00 C ATOM 198 C LEU A 13 11.476 0.524 -4.626 1.00 0.00 C ATOM 199 O LEU A 13 11.144 0.778 -3.471 1.00 0.00 O ATOM 200 CB LEU A 13 12.339 -1.825 -4.641 1.00 0.00 C ATOM 201 CG LEU A 13 11.227 -2.388 -5.556 1.00 0.00 C ATOM 202 CD1 LEU A 13 11.390 -3.903 -5.691 1.00 0.00 C ATOM 203 CD2 LEU A 13 9.797 -2.128 -5.043 1.00 0.00 C ATOM 0 H LEU A 13 13.365 0.127 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 13 13.037 -0.207 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.242 -2.418 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.034 -1.960 -3.603 1.00 0.00 H new ATOM 0 HG LEU A 13 11.343 -1.868 -6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.605 -4.297 -6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.364 -4.127 -6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.317 -4.366 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.077 -2.554 -5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.672 -2.592 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.630 -1.054 -4.960 1.00 0.00 H new ATOM 215 N LYS A 14 10.823 0.986 -5.691 1.00 0.00 N ATOM 216 CA LYS A 14 9.619 1.817 -5.628 1.00 0.00 C ATOM 217 C LYS A 14 8.606 1.291 -6.635 1.00 0.00 C ATOM 218 O LYS A 14 8.972 0.541 -7.547 1.00 0.00 O ATOM 219 CB LYS A 14 9.941 3.292 -5.884 1.00 0.00 C ATOM 220 CG LYS A 14 10.815 3.910 -4.789 1.00 0.00 C ATOM 221 CD LYS A 14 11.757 4.999 -5.287 1.00 0.00 C ATOM 222 CE LYS A 14 12.890 4.403 -6.132 1.00 0.00 C ATOM 223 NZ LYS A 14 13.760 5.467 -6.667 1.00 0.00 N ATOM 0 H LYS A 14 11.123 0.789 -6.646 1.00 0.00 H new ATOM 0 HA LYS A 14 9.197 1.759 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.449 3.386 -6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.010 3.854 -5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.170 4.328 -4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.404 3.121 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.199 5.724 -5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.177 5.538 -4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.480 3.716 -5.525 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.470 3.823 -6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.520 5.041 -7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.198 6.107 -7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.176 6.004 -5.879 1.00 0.00 H new ATOM 237 N GLY A 15 7.337 1.635 -6.488 1.00 0.00 N ATOM 238 CA GLY A 15 6.308 1.167 -7.400 1.00 0.00 C ATOM 239 C GLY A 15 4.926 1.577 -6.929 1.00 0.00 C ATOM 240 O GLY A 15 4.774 2.221 -5.891 1.00 0.00 O ATOM 0 H GLY A 15 6.994 2.240 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.490 1.572 -8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.359 0.081 -7.483 1.00 0.00 H new ATOM 244 N GLU A 16 3.903 1.176 -7.676 1.00 0.00 N ATOM 245 CA GLU A 16 2.512 1.463 -7.361 1.00 0.00 C ATOM 246 C GLU A 16 1.663 0.270 -7.789 1.00 0.00 C ATOM 247 O GLU A 16 1.978 -0.409 -8.775 1.00 0.00 O ATOM 248 CB GLU A 16 2.019 2.737 -8.065 1.00 0.00 C ATOM 249 CG GLU A 16 2.488 4.027 -7.384 1.00 0.00 C ATOM 250 CD GLU A 16 1.881 5.285 -8.012 1.00 0.00 C ATOM 251 OE1 GLU A 16 0.841 5.210 -8.706 1.00 0.00 O ATOM 252 OE2 GLU A 16 2.447 6.389 -7.820 1.00 0.00 O ATOM 0 H GLU A 16 4.021 0.633 -8.532 1.00 0.00 H new ATOM 0 HA GLU A 16 2.423 1.632 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.369 2.732 -9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.930 2.727 -8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.224 3.991 -6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.575 4.087 -7.439 1.00 0.00 H new ATOM 259 N THR A 17 0.601 -0.009 -7.045 1.00 0.00 N ATOM 260 CA THR A 17 -0.328 -1.093 -7.312 1.00 0.00 C ATOM 261 C THR A 17 -1.695 -0.657 -6.800 1.00 0.00 C ATOM 262 O THR A 17 -1.802 0.241 -5.957 1.00 0.00 O ATOM 263 CB THR A 17 0.159 -2.405 -6.652 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.638 -3.501 -7.049 1.00 0.00 O ATOM 265 CG2 THR A 17 0.156 -2.386 -5.121 1.00 0.00 C ATOM 0 H THR A 17 0.357 0.531 -6.214 1.00 0.00 H new ATOM 0 HA THR A 17 -0.392 -1.301 -8.380 1.00 0.00 H new ATOM 0 HB THR A 17 1.189 -2.503 -6.994 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.120 -4.329 -6.968 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.512 -3.345 -4.745 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.812 -1.591 -4.766 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.857 -2.208 -4.761 1.00 0.00 H new ATOM 273 N THR A 18 -2.742 -1.310 -7.277 1.00 0.00 N ATOM 274 CA THR A 18 -4.110 -1.056 -6.895 1.00 0.00 C ATOM 275 C THR A 18 -4.749 -2.409 -6.577 1.00 0.00 C ATOM 276 O THR A 18 -4.322 -3.448 -7.098 1.00 0.00 O ATOM 277 CB THR A 18 -4.830 -0.253 -8.002 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.444 -0.611 -9.317 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.475 1.228 -7.895 1.00 0.00 C ATOM 0 H THR A 18 -2.653 -2.057 -7.965 1.00 0.00 H new ATOM 0 HA THR A 18 -4.184 -0.433 -6.004 1.00 0.00 H new ATOM 0 HB THR A 18 -5.887 -0.468 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.939 -0.066 -9.963 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.988 1.783 -8.680 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.785 1.607 -6.921 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.398 1.353 -8.007 1.00 0.00 H new ATOM 287 N THR A 19 -5.687 -2.433 -5.636 1.00 0.00 N ATOM 288 CA THR A 19 -6.401 -3.638 -5.240 1.00 0.00 C ATOM 289 C THR A 19 -7.828 -3.230 -4.875 1.00 0.00 C ATOM 290 O THR A 19 -8.063 -2.085 -4.480 1.00 0.00 O ATOM 291 CB THR A 19 -5.643 -4.370 -4.111 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.953 -5.749 -4.125 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.937 -3.828 -2.710 1.00 0.00 C ATOM 0 H THR A 19 -5.976 -1.602 -5.120 1.00 0.00 H new ATOM 0 HA THR A 19 -6.457 -4.362 -6.053 1.00 0.00 H new ATOM 0 HB THR A 19 -4.586 -4.197 -4.315 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.124 -6.271 -4.105 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.367 -4.394 -1.974 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.652 -2.777 -2.659 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.002 -3.926 -2.498 1.00 0.00 H new ATOM 301 N GLU A 20 -8.792 -4.126 -5.043 1.00 0.00 N ATOM 302 CA GLU A 20 -10.180 -3.873 -4.703 1.00 0.00 C ATOM 303 C GLU A 20 -10.368 -4.573 -3.378 1.00 0.00 C ATOM 304 O GLU A 20 -10.303 -5.800 -3.333 1.00 0.00 O ATOM 305 CB GLU A 20 -11.131 -4.405 -5.777 1.00 0.00 C ATOM 306 CG GLU A 20 -10.967 -3.560 -7.038 1.00 0.00 C ATOM 307 CD GLU A 20 -12.044 -3.840 -8.077 1.00 0.00 C ATOM 308 OE1 GLU A 20 -12.064 -4.954 -8.655 1.00 0.00 O ATOM 309 OE2 GLU A 20 -12.789 -2.894 -8.426 1.00 0.00 O ATOM 0 H GLU A 20 -8.627 -5.058 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.407 -2.809 -4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.911 -5.451 -5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.161 -4.362 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.993 -2.504 -6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.987 -3.753 -7.475 1.00 0.00 H new ATOM 316 N ALA A 21 -10.512 -3.812 -2.295 1.00 0.00 N ATOM 317 CA ALA A 21 -10.689 -4.375 -0.967 1.00 0.00 C ATOM 318 C ALA A 21 -12.058 -4.006 -0.427 1.00 0.00 C ATOM 319 O ALA A 21 -12.581 -2.918 -0.684 1.00 0.00 O ATOM 320 CB ALA A 21 -9.591 -3.889 -0.035 1.00 0.00 C ATOM 0 H ALA A 21 -10.509 -2.792 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.623 -5.461 -1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.738 -4.319 0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.621 -4.197 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.626 -2.802 0.033 1.00 0.00 H new ATOM 326 N VAL A 22 -12.604 -4.913 0.371 1.00 0.00 N ATOM 327 CA VAL A 22 -13.913 -4.766 0.981 1.00 0.00 C ATOM 328 C VAL A 22 -13.905 -3.643 2.014 1.00 0.00 C ATOM 329 O VAL A 22 -14.849 -2.856 2.059 1.00 0.00 O ATOM 330 CB VAL A 22 -14.390 -6.103 1.587 1.00 0.00 C ATOM 331 CG1 VAL A 22 -14.387 -7.226 0.538 1.00 0.00 C ATOM 332 CG2 VAL A 22 -13.564 -6.553 2.800 1.00 0.00 C ATOM 0 H VAL A 22 -12.139 -5.787 0.616 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.627 -4.489 0.205 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.408 -5.914 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.728 -8.154 0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.055 -6.960 -0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.376 -7.362 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.954 -7.499 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.523 -6.682 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.628 -5.798 3.584 1.00 0.00 H new ATOM 342 N ASP A 23 -12.839 -3.508 2.800 1.00 0.00 N ATOM 343 CA ASP A 23 -12.659 -2.517 3.849 1.00 0.00 C ATOM 344 C ASP A 23 -11.185 -2.124 3.909 1.00 0.00 C ATOM 345 O ASP A 23 -10.336 -2.689 3.207 1.00 0.00 O ATOM 346 CB ASP A 23 -13.191 -3.035 5.206 1.00 0.00 C ATOM 347 CG ASP A 23 -12.499 -4.276 5.777 1.00 0.00 C ATOM 348 OD1 ASP A 23 -11.392 -4.623 5.325 1.00 0.00 O ATOM 349 OD2 ASP A 23 -13.080 -4.928 6.680 1.00 0.00 O ATOM 0 H ASP A 23 -12.032 -4.126 2.713 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.243 -1.626 3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.107 -2.230 5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.253 -3.256 5.096 1.00 0.00 H new ATOM 354 N ALA A 24 -10.913 -1.128 4.749 1.00 0.00 N ATOM 355 CA ALA A 24 -9.587 -0.588 4.981 1.00 0.00 C ATOM 356 C ALA A 24 -8.632 -1.671 5.476 1.00 0.00 C ATOM 357 O ALA A 24 -7.459 -1.693 5.104 1.00 0.00 O ATOM 358 CB ALA A 24 -9.703 0.506 6.051 1.00 0.00 C ATOM 0 H ALA A 24 -11.635 -0.665 5.301 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.192 -0.188 4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.718 0.930 6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.373 1.290 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.101 0.075 6.970 1.00 0.00 H new ATOM 364 N ALA A 25 -9.139 -2.574 6.318 1.00 0.00 N ATOM 365 CA ALA A 25 -8.359 -3.645 6.894 1.00 0.00 C ATOM 366 C ALA A 25 -7.802 -4.589 5.841 1.00 0.00 C ATOM 367 O ALA A 25 -6.601 -4.852 5.862 1.00 0.00 O ATOM 368 CB ALA A 25 -9.217 -4.397 7.904 1.00 0.00 C ATOM 0 H ALA A 25 -10.115 -2.573 6.615 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.496 -3.208 7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.635 -5.207 8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.538 -3.713 8.690 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.092 -4.809 7.402 1.00 0.00 H new ATOM 374 N THR A 26 -8.640 -5.083 4.935 1.00 0.00 N ATOM 375 CA THR A 26 -8.215 -5.986 3.875 1.00 0.00 C ATOM 376 C THR A 26 -7.214 -5.257 2.979 1.00 0.00 C ATOM 377 O THR A 26 -6.186 -5.842 2.651 1.00 0.00 O ATOM 378 CB THR A 26 -9.443 -6.442 3.078 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.352 -7.154 3.898 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.139 -7.311 1.856 1.00 0.00 C ATOM 0 H THR A 26 -9.637 -4.866 4.917 1.00 0.00 H new ATOM 0 HA THR A 26 -7.731 -6.869 4.292 1.00 0.00 H new ATOM 0 HB THR A 26 -9.875 -5.509 2.716 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.842 -6.524 4.467 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.072 -7.581 1.361 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.508 -6.756 1.163 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.621 -8.216 2.173 1.00 0.00 H new ATOM 388 N ALA A 27 -7.484 -3.998 2.604 1.00 0.00 N ATOM 389 CA ALA A 27 -6.591 -3.238 1.740 1.00 0.00 C ATOM 390 C ALA A 27 -5.203 -3.149 2.355 1.00 0.00 C ATOM 391 O ALA A 27 -4.212 -3.501 1.722 1.00 0.00 O ATOM 392 CB ALA A 27 -7.148 -1.824 1.518 1.00 0.00 C ATOM 0 H ALA A 27 -8.320 -3.489 2.891 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.520 -3.752 0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.473 -1.264 0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.130 -1.889 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.238 -1.314 2.477 1.00 0.00 H new ATOM 398 N GLU A 28 -5.152 -2.733 3.615 1.00 0.00 N ATOM 399 CA GLU A 28 -3.929 -2.570 4.373 1.00 0.00 C ATOM 400 C GLU A 28 -3.122 -3.864 4.429 1.00 0.00 C ATOM 401 O GLU A 28 -1.913 -3.825 4.217 1.00 0.00 O ATOM 402 CB GLU A 28 -4.328 -2.058 5.752 1.00 0.00 C ATOM 403 CG GLU A 28 -3.199 -1.990 6.773 1.00 0.00 C ATOM 404 CD GLU A 28 -3.696 -1.165 7.947 1.00 0.00 C ATOM 405 OE1 GLU A 28 -4.369 -1.757 8.827 1.00 0.00 O ATOM 406 OE2 GLU A 28 -3.479 0.070 7.960 1.00 0.00 O ATOM 0 H GLU A 28 -5.988 -2.494 4.148 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.265 -1.852 3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.756 -1.062 5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.114 -2.701 6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.916 -2.991 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.311 -1.536 6.333 1.00 0.00 H new ATOM 413 N LYS A 29 -3.777 -4.995 4.709 1.00 0.00 N ATOM 414 CA LYS A 29 -3.122 -6.303 4.795 1.00 0.00 C ATOM 415 C LYS A 29 -2.599 -6.727 3.433 1.00 0.00 C ATOM 416 O LYS A 29 -1.423 -7.082 3.325 1.00 0.00 O ATOM 417 CB LYS A 29 -4.117 -7.358 5.292 1.00 0.00 C ATOM 418 CG LYS A 29 -4.540 -7.127 6.746 1.00 0.00 C ATOM 419 CD LYS A 29 -5.814 -7.919 7.065 1.00 0.00 C ATOM 420 CE LYS A 29 -6.474 -7.297 8.287 1.00 0.00 C ATOM 421 NZ LYS A 29 -7.590 -8.101 8.826 1.00 0.00 N ATOM 0 H LYS A 29 -4.781 -5.029 4.883 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.289 -6.220 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.001 -7.348 4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.669 -8.347 5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.737 -7.431 7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.713 -6.064 6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.496 -7.899 6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.573 -8.965 7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.724 -7.162 9.066 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.844 -6.306 8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.994 -7.622 9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.324 -8.209 8.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.239 -9.039 9.105 1.00 0.00 H new ATOM 435 N VAL A 30 -3.448 -6.663 2.403 1.00 0.00 N ATOM 436 CA VAL A 30 -3.058 -7.047 1.051 1.00 0.00 C ATOM 437 C VAL A 30 -1.833 -6.237 0.640 1.00 0.00 C ATOM 438 O VAL A 30 -0.834 -6.809 0.194 1.00 0.00 O ATOM 439 CB VAL A 30 -4.268 -6.903 0.107 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.919 -6.891 -1.385 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.204 -8.087 0.364 1.00 0.00 C ATOM 0 H VAL A 30 -4.414 -6.347 2.485 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.764 -8.095 0.998 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.720 -5.935 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.832 -6.786 -1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.254 -6.054 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.423 -7.825 -1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.072 -8.013 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.676 -9.019 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.531 -8.073 1.404 1.00 0.00 H new ATOM 451 N PHE A 31 -1.882 -4.920 0.841 1.00 0.00 N ATOM 452 CA PHE A 31 -0.782 -4.040 0.511 1.00 0.00 C ATOM 453 C PHE A 31 0.447 -4.380 1.337 1.00 0.00 C ATOM 454 O PHE A 31 1.537 -4.421 0.776 1.00 0.00 O ATOM 455 CB PHE A 31 -1.203 -2.584 0.713 1.00 0.00 C ATOM 456 CG PHE A 31 -2.221 -2.062 -0.283 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.179 -2.434 -1.644 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.178 -1.130 0.147 1.00 0.00 C ATOM 459 CE1 PHE A 31 -3.075 -1.875 -2.566 1.00 0.00 C ATOM 460 CE2 PHE A 31 -4.086 -0.587 -0.772 1.00 0.00 C ATOM 461 CZ PHE A 31 -4.028 -0.946 -2.128 1.00 0.00 C ATOM 0 H PHE A 31 -2.690 -4.441 1.238 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.519 -4.179 -0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.613 -2.477 1.717 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.314 -1.955 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.449 -3.157 -1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.215 -0.832 1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.031 -2.159 -3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.836 0.113 -0.435 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.718 -0.506 -2.833 1.00 0.00 H new ATOM 471 N LYS A 32 0.304 -4.633 2.641 1.00 0.00 N ATOM 472 CA LYS A 32 1.420 -4.988 3.512 1.00 0.00 C ATOM 473 C LYS A 32 2.161 -6.175 2.946 1.00 0.00 C ATOM 474 O LYS A 32 3.377 -6.115 2.791 1.00 0.00 O ATOM 475 CB LYS A 32 0.937 -5.255 4.948 1.00 0.00 C ATOM 476 CG LYS A 32 1.311 -4.089 5.877 1.00 0.00 C ATOM 477 CD LYS A 32 2.352 -4.561 6.897 1.00 0.00 C ATOM 478 CE LYS A 32 3.049 -3.408 7.627 1.00 0.00 C ATOM 479 NZ LYS A 32 2.158 -2.699 8.565 1.00 0.00 N ATOM 0 H LYS A 32 -0.595 -4.596 3.121 1.00 0.00 H new ATOM 0 HA LYS A 32 2.111 -4.146 3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.144 -5.397 4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.381 -6.178 5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.709 -3.259 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.423 -3.721 6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.867 -5.206 7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.102 -5.166 6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.908 -3.797 8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.433 -2.700 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.683 -1.931 9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.351 -2.301 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.811 -3.365 9.285 1.00 0.00 H new ATOM 493 N GLN A 33 1.438 -7.232 2.596 1.00 0.00 N ATOM 494 CA GLN A 33 2.053 -8.412 2.055 1.00 0.00 C ATOM 495 C GLN A 33 2.743 -8.079 0.738 1.00 0.00 C ATOM 496 O GLN A 33 3.855 -8.541 0.503 1.00 0.00 O ATOM 497 CB GLN A 33 0.978 -9.487 1.861 1.00 0.00 C ATOM 498 CG GLN A 33 1.626 -10.865 1.767 1.00 0.00 C ATOM 499 CD GLN A 33 1.940 -11.397 3.162 1.00 0.00 C ATOM 500 OE1 GLN A 33 3.155 -11.230 3.649 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 1.055 -11.874 3.867 1.00 0.00 N flip ATOM 0 H GLN A 33 0.423 -7.285 2.682 1.00 0.00 H new ATOM 0 HA GLN A 33 2.810 -8.791 2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.275 -9.463 2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.407 -9.282 0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.959 -11.554 1.249 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.541 -10.805 1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.116 -12.003 3.490 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.259 -12.142 4.830 1.00 0.00 H new ATOM 510 N TYR A 34 2.098 -7.273 -0.105 1.00 0.00 N ATOM 511 CA TYR A 34 2.643 -6.895 -1.404 1.00 0.00 C ATOM 512 C TYR A 34 3.967 -6.154 -1.241 1.00 0.00 C ATOM 513 O TYR A 34 4.940 -6.428 -1.934 1.00 0.00 O ATOM 514 CB TYR A 34 1.618 -6.034 -2.142 1.00 0.00 C ATOM 515 CG TYR A 34 1.848 -5.891 -3.631 1.00 0.00 C ATOM 516 CD1 TYR A 34 2.690 -4.883 -4.132 1.00 0.00 C ATOM 517 CD2 TYR A 34 1.170 -6.741 -4.522 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.808 -4.691 -5.519 1.00 0.00 C ATOM 519 CE2 TYR A 34 1.266 -6.538 -5.907 1.00 0.00 C ATOM 520 CZ TYR A 34 2.057 -5.485 -6.415 1.00 0.00 C ATOM 521 OH TYR A 34 2.103 -5.265 -7.756 1.00 0.00 O ATOM 0 H TYR A 34 1.185 -6.865 0.095 1.00 0.00 H new ATOM 0 HA TYR A 34 2.844 -7.793 -1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.628 -6.460 -1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.613 -5.040 -1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.246 -4.256 -3.451 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.572 -7.555 -4.138 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.476 -3.933 -5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.734 -7.188 -6.585 1.00 0.00 H new ATOM 0 HH TYR A 34 1.523 -5.909 -8.213 1.00 0.00 H new ATOM 531 N ALA A 35 4.023 -5.195 -0.324 1.00 0.00 N ATOM 532 CA ALA A 35 5.227 -4.408 -0.091 1.00 0.00 C ATOM 533 C ALA A 35 6.343 -5.283 0.452 1.00 0.00 C ATOM 534 O ALA A 35 7.445 -5.263 -0.091 1.00 0.00 O ATOM 535 CB ALA A 35 4.920 -3.279 0.864 1.00 0.00 C ATOM 0 H ALA A 35 3.238 -4.942 0.276 1.00 0.00 H new ATOM 0 HA ALA A 35 5.563 -3.987 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.822 -2.692 1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.148 -2.640 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.568 -3.689 1.811 1.00 0.00 H new ATOM 541 N ASN A 36 6.039 -6.086 1.473 1.00 0.00 N ATOM 542 CA ASN A 36 6.998 -7.002 2.082 1.00 0.00 C ATOM 543 C ASN A 36 7.531 -7.967 1.016 1.00 0.00 C ATOM 544 O ASN A 36 8.694 -8.350 1.075 1.00 0.00 O ATOM 545 CB ASN A 36 6.379 -7.717 3.303 1.00 0.00 C ATOM 546 CG ASN A 36 6.350 -9.240 3.238 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.981 -9.917 4.038 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.548 -9.816 2.360 1.00 0.00 N ATOM 0 H ASN A 36 5.114 -6.117 1.902 1.00 0.00 H new ATOM 0 HA ASN A 36 7.851 -6.444 2.468 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.934 -7.421 4.193 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.358 -7.358 3.431 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.452 -10.831 2.346 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.025 -9.245 1.696 1.00 0.00 H new ATOM 555 N ASP A 37 6.716 -8.334 0.021 1.00 0.00 N ATOM 556 CA ASP A 37 7.123 -9.234 -1.063 1.00 0.00 C ATOM 557 C ASP A 37 8.172 -8.533 -1.934 1.00 0.00 C ATOM 558 O ASP A 37 9.069 -9.170 -2.480 1.00 0.00 O ATOM 559 CB ASP A 37 5.913 -9.674 -1.891 1.00 0.00 C ATOM 560 CG ASP A 37 6.224 -10.772 -2.909 1.00 0.00 C ATOM 561 OD1 ASP A 37 7.297 -11.410 -2.866 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.328 -11.018 -3.756 1.00 0.00 O ATOM 0 H ASP A 37 5.751 -8.013 -0.055 1.00 0.00 H new ATOM 0 HA ASP A 37 7.564 -10.135 -0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.133 -10.028 -1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.511 -8.808 -2.417 1.00 0.00 H new ATOM 567 N ASN A 38 8.071 -7.207 -2.074 1.00 0.00 N ATOM 568 CA ASN A 38 9.031 -6.392 -2.822 1.00 0.00 C ATOM 569 C ASN A 38 10.211 -6.021 -1.898 1.00 0.00 C ATOM 570 O ASN A 38 11.142 -5.345 -2.333 1.00 0.00 O ATOM 571 CB ASN A 38 8.384 -5.095 -3.340 1.00 0.00 C ATOM 572 CG ASN A 38 7.435 -5.299 -4.503 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.806 -5.164 -5.665 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.187 -5.589 -4.207 1.00 0.00 N ATOM 0 H ASN A 38 7.310 -6.664 -1.665 1.00 0.00 H new ATOM 0 HA ASN A 38 9.376 -6.974 -3.677 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.842 -4.620 -2.522 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.171 -4.405 -3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.500 -5.707 -4.952 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.906 -5.696 -3.232 1.00 0.00 H new ATOM 581 N GLY A 39 10.176 -6.419 -0.621 1.00 0.00 N ATOM 582 CA GLY A 39 11.192 -6.145 0.387 1.00 0.00 C ATOM 583 C GLY A 39 11.118 -4.727 0.929 1.00 0.00 C ATOM 584 O GLY A 39 12.109 -4.219 1.453 1.00 0.00 O ATOM 0 H GLY A 39 9.399 -6.967 -0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.079 -6.850 1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.179 -6.313 -0.044 1.00 0.00 H new ATOM 588 N VAL A 40 9.966 -4.081 0.782 1.00 0.00 N ATOM 589 CA VAL A 40 9.711 -2.733 1.237 1.00 0.00 C ATOM 590 C VAL A 40 8.999 -2.831 2.571 1.00 0.00 C ATOM 591 O VAL A 40 7.925 -3.431 2.681 1.00 0.00 O ATOM 592 CB VAL A 40 8.796 -1.984 0.256 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.588 -0.530 0.701 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.305 -2.006 -1.191 1.00 0.00 C ATOM 0 H VAL A 40 9.159 -4.504 0.325 1.00 0.00 H new ATOM 0 HA VAL A 40 10.654 -2.192 1.314 1.00 0.00 H new ATOM 0 HB VAL A 40 7.846 -2.518 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.937 -0.022 -0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.129 -0.514 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.551 -0.020 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.611 -1.459 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.288 -1.537 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.378 -3.038 -1.535 1.00 0.00 H new ATOM 604 N ASP A 41 9.587 -2.223 3.587 1.00 0.00 N ATOM 605 CA ASP A 41 8.996 -2.196 4.902 1.00 0.00 C ATOM 606 C ASP A 41 9.477 -0.919 5.561 1.00 0.00 C ATOM 607 O ASP A 41 10.651 -0.800 5.912 1.00 0.00 O ATOM 608 CB ASP A 41 9.334 -3.451 5.695 1.00 0.00 C ATOM 609 CG ASP A 41 8.482 -3.471 6.959 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.255 -3.248 6.826 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.022 -3.727 8.058 1.00 0.00 O ATOM 0 H ASP A 41 10.482 -1.739 3.519 1.00 0.00 H new ATOM 0 HA ASP A 41 7.907 -2.196 4.852 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.142 -4.341 5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.393 -3.462 5.952 1.00 0.00 H new ATOM 616 N GLY A 42 8.598 0.075 5.614 1.00 0.00 N ATOM 617 CA GLY A 42 8.864 1.376 6.192 1.00 0.00 C ATOM 618 C GLY A 42 7.656 1.906 6.939 1.00 0.00 C ATOM 619 O GLY A 42 6.826 1.145 7.420 1.00 0.00 O ATOM 0 H GLY A 42 7.652 -0.011 5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.713 1.307 6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.143 2.076 5.404 1.00 0.00 H new ATOM 623 N GLU A 43 7.582 3.225 7.058 1.00 0.00 N ATOM 624 CA GLU A 43 6.505 3.934 7.733 1.00 0.00 C ATOM 625 C GLU A 43 5.300 4.007 6.792 1.00 0.00 C ATOM 626 O GLU A 43 5.375 4.652 5.740 1.00 0.00 O ATOM 627 CB GLU A 43 7.015 5.312 8.175 1.00 0.00 C ATOM 628 CG GLU A 43 5.987 6.093 9.004 1.00 0.00 C ATOM 629 CD GLU A 43 6.648 7.269 9.727 1.00 0.00 C ATOM 630 OE1 GLU A 43 7.165 7.079 10.858 1.00 0.00 O ATOM 631 OE2 GLU A 43 6.690 8.389 9.171 1.00 0.00 O ATOM 0 H GLU A 43 8.292 3.849 6.675 1.00 0.00 H new ATOM 0 HA GLU A 43 6.180 3.412 8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.926 5.186 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.281 5.895 7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.193 6.461 8.354 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.521 5.429 9.732 1.00 0.00 H new ATOM 638 N TRP A 44 4.224 3.300 7.149 1.00 0.00 N ATOM 639 CA TRP A 44 2.978 3.229 6.398 1.00 0.00 C ATOM 640 C TRP A 44 2.047 4.381 6.787 1.00 0.00 C ATOM 641 O TRP A 44 1.780 4.585 7.978 1.00 0.00 O ATOM 642 CB TRP A 44 2.279 1.891 6.658 1.00 0.00 C ATOM 643 CG TRP A 44 2.993 0.675 6.147 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.100 0.112 6.673 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.689 -0.123 4.973 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.517 -0.950 5.903 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.680 -1.132 4.828 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.677 -0.078 4.001 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.665 -2.034 3.762 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.640 -0.980 2.929 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.643 -1.946 2.801 1.00 0.00 C ATOM 0 H TRP A 44 4.201 2.742 8.002 1.00 0.00 H new ATOM 0 HA TRP A 44 3.214 3.311 5.337 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.134 1.780 7.733 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.288 1.925 6.205 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.591 0.448 7.574 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.336 -1.524 6.103 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.905 0.673 4.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.430 -2.791 3.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.840 -0.929 2.205 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.632 -2.626 1.962 1.00 0.00 H new ATOM 662 N THR A 45 1.483 5.058 5.786 1.00 0.00 N ATOM 663 CA THR A 45 0.578 6.199 5.898 1.00 0.00 C ATOM 664 C THR A 45 -0.739 5.927 5.160 1.00 0.00 C ATOM 665 O THR A 45 -0.873 4.892 4.500 1.00 0.00 O ATOM 666 CB THR A 45 1.280 7.447 5.325 1.00 0.00 C ATOM 667 OG1 THR A 45 1.362 7.317 3.922 1.00 0.00 O ATOM 668 CG2 THR A 45 2.700 7.656 5.860 1.00 0.00 C ATOM 0 H THR A 45 1.659 4.806 4.813 1.00 0.00 H new ATOM 0 HA THR A 45 0.334 6.368 6.947 1.00 0.00 H new ATOM 0 HB THR A 45 0.684 8.307 5.632 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.805 8.106 3.546 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.129 8.552 5.412 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.667 7.772 6.943 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.315 6.793 5.606 1.00 0.00 H new ATOM 676 N TYR A 46 -1.715 6.836 5.228 1.00 0.00 N ATOM 677 CA TYR A 46 -2.993 6.675 4.548 1.00 0.00 C ATOM 678 C TYR A 46 -3.494 8.037 4.069 1.00 0.00 C ATOM 679 O TYR A 46 -3.467 9.008 4.822 1.00 0.00 O ATOM 680 CB TYR A 46 -3.986 5.983 5.491 1.00 0.00 C ATOM 681 CG TYR A 46 -5.374 5.799 4.910 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.550 5.027 3.747 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.486 6.405 5.522 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.822 4.884 3.175 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.769 6.237 4.976 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.937 5.496 3.786 1.00 0.00 C ATOM 687 OH TYR A 46 -9.175 5.300 3.256 1.00 0.00 O ATOM 0 H TYR A 46 -1.637 7.704 5.758 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.881 6.043 3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.588 5.006 5.766 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.063 6.566 6.409 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.700 4.541 3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.353 7.000 6.413 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.948 4.308 2.270 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.626 6.674 5.466 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.734 6.086 3.431 1.00 0.00 H new ATOM 697 N ASP A 47 -3.967 8.105 2.829 1.00 0.00 N ATOM 698 CA ASP A 47 -4.495 9.275 2.144 1.00 0.00 C ATOM 699 C ASP A 47 -5.917 8.901 1.722 1.00 0.00 C ATOM 700 O ASP A 47 -6.150 8.469 0.588 1.00 0.00 O ATOM 701 CB ASP A 47 -3.659 9.635 0.897 1.00 0.00 C ATOM 702 CG ASP A 47 -2.275 10.216 1.182 1.00 0.00 C ATOM 703 OD1 ASP A 47 -1.283 9.463 1.309 1.00 0.00 O ATOM 704 OD2 ASP A 47 -2.141 11.458 1.166 1.00 0.00 O ATOM 0 H ASP A 47 -3.992 7.278 2.232 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.468 10.146 2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.540 8.738 0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.220 10.353 0.299 1.00 0.00 H new ATOM 709 N ASP A 48 -6.887 9.038 2.629 1.00 0.00 N ATOM 710 CA ASP A 48 -8.295 8.717 2.369 1.00 0.00 C ATOM 711 C ASP A 48 -8.841 9.465 1.163 1.00 0.00 C ATOM 712 O ASP A 48 -9.609 8.922 0.374 1.00 0.00 O ATOM 713 CB ASP A 48 -9.172 9.068 3.566 1.00 0.00 C ATOM 714 CG ASP A 48 -10.521 8.353 3.458 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.445 8.853 2.777 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.677 7.278 4.078 1.00 0.00 O ATOM 0 H ASP A 48 -6.717 9.379 3.575 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.324 7.645 2.176 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.672 8.779 4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.326 10.146 3.610 1.00 0.00 H new ATOM 721 N ALA A 49 -8.346 10.682 0.964 1.00 0.00 N ATOM 722 CA ALA A 49 -8.704 11.599 -0.113 1.00 0.00 C ATOM 723 C ALA A 49 -8.651 10.955 -1.505 1.00 0.00 C ATOM 724 O ALA A 49 -9.334 11.405 -2.428 1.00 0.00 O ATOM 725 CB ALA A 49 -7.712 12.747 -0.058 1.00 0.00 C ATOM 0 H ALA A 49 -7.642 11.078 1.587 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.735 11.921 0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.940 13.463 -0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.781 13.242 0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.702 12.362 -0.197 1.00 0.00 H new ATOM 731 N THR A 50 -7.797 9.949 -1.672 1.00 0.00 N ATOM 732 CA THR A 50 -7.622 9.172 -2.896 1.00 0.00 C ATOM 733 C THR A 50 -7.545 7.675 -2.516 1.00 0.00 C ATOM 734 O THR A 50 -7.083 6.850 -3.304 1.00 0.00 O ATOM 735 CB THR A 50 -6.428 9.735 -3.701 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.222 8.981 -4.876 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.146 9.807 -2.863 1.00 0.00 C ATOM 0 H THR A 50 -7.179 9.639 -0.922 1.00 0.00 H new ATOM 0 HA THR A 50 -8.470 9.259 -3.576 1.00 0.00 H new ATOM 0 HB THR A 50 -6.680 10.757 -3.983 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.384 8.033 -4.689 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.336 10.209 -3.471 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.310 10.456 -2.003 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.880 8.808 -2.518 1.00 0.00 H new ATOM 745 N LYS A 51 -7.985 7.310 -1.298 1.00 0.00 N ATOM 746 CA LYS A 51 -7.982 5.969 -0.708 1.00 0.00 C ATOM 747 C LYS A 51 -6.701 5.237 -1.099 1.00 0.00 C ATOM 748 O LYS A 51 -6.707 4.156 -1.694 1.00 0.00 O ATOM 749 CB LYS A 51 -9.306 5.222 -0.931 1.00 0.00 C ATOM 750 CG LYS A 51 -9.987 5.486 -2.280 1.00 0.00 C ATOM 751 CD LYS A 51 -11.090 4.470 -2.564 1.00 0.00 C ATOM 752 CE LYS A 51 -12.148 4.317 -1.457 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.929 5.540 -1.193 1.00 0.00 N ATOM 0 H LYS A 51 -8.380 7.999 -0.658 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.949 6.037 0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.121 4.152 -0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.997 5.495 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.408 6.491 -2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.244 5.448 -3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.594 4.755 -3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.629 3.498 -2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.833 3.515 -1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.652 4.010 -0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.618 5.355 -0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.288 6.304 -0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.432 5.824 -2.058 1.00 0.00 H new ATOM 767 N THR A 52 -5.589 5.889 -0.779 1.00 0.00 N ATOM 768 CA THR A 52 -4.256 5.417 -1.066 1.00 0.00 C ATOM 769 C THR A 52 -3.485 5.221 0.238 1.00 0.00 C ATOM 770 O THR A 52 -3.789 5.840 1.252 1.00 0.00 O ATOM 771 CB THR A 52 -3.607 6.439 -2.015 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.314 6.496 -3.242 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.151 6.146 -2.370 1.00 0.00 C ATOM 0 H THR A 52 -5.600 6.788 -0.298 1.00 0.00 H new ATOM 0 HA THR A 52 -4.259 4.444 -1.557 1.00 0.00 H new ATOM 0 HB THR A 52 -3.645 7.377 -1.462 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.259 6.685 -3.066 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.778 6.918 -3.042 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.550 6.135 -1.461 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.084 5.175 -2.861 1.00 0.00 H new ATOM 781 N PHE A 53 -2.468 4.375 0.199 1.00 0.00 N ATOM 782 CA PHE A 53 -1.560 4.016 1.276 1.00 0.00 C ATOM 783 C PHE A 53 -0.151 4.235 0.746 1.00 0.00 C ATOM 784 O PHE A 53 0.089 3.966 -0.431 1.00 0.00 O ATOM 785 CB PHE A 53 -1.765 2.530 1.587 1.00 0.00 C ATOM 786 CG PHE A 53 -3.056 2.209 2.302 1.00 0.00 C ATOM 787 CD1 PHE A 53 -4.202 1.922 1.546 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.104 2.152 3.706 1.00 0.00 C ATOM 789 CE1 PHE A 53 -5.380 1.500 2.190 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.283 1.738 4.351 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.416 1.392 3.592 1.00 0.00 C ATOM 0 H PHE A 53 -2.237 3.879 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.731 4.605 2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.733 1.969 0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.931 2.182 2.196 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.180 2.025 0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.237 2.426 4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.257 1.259 1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.319 1.686 5.429 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.312 1.044 4.085 1.00 0.00 H new ATOM 801 N THR A 54 0.783 4.723 1.562 1.00 0.00 N ATOM 802 CA THR A 54 2.154 4.929 1.121 1.00 0.00 C ATOM 803 C THR A 54 3.074 4.328 2.173 1.00 0.00 C ATOM 804 O THR A 54 2.814 4.508 3.360 1.00 0.00 O ATOM 805 CB THR A 54 2.429 6.422 0.907 1.00 0.00 C ATOM 806 OG1 THR A 54 1.365 7.031 0.196 1.00 0.00 O ATOM 807 CG2 THR A 54 3.763 6.664 0.203 1.00 0.00 C ATOM 0 H THR A 54 0.610 4.982 2.533 1.00 0.00 H new ATOM 0 HA THR A 54 2.331 4.439 0.163 1.00 0.00 H new ATOM 0 HB THR A 54 2.497 6.884 1.892 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.558 7.984 0.071 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.916 7.735 0.072 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.572 6.252 0.806 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.753 6.177 -0.772 1.00 0.00 H new ATOM 815 N VAL A 55 4.114 3.605 1.771 1.00 0.00 N ATOM 816 CA VAL A 55 5.081 2.997 2.682 1.00 0.00 C ATOM 817 C VAL A 55 6.424 3.636 2.359 1.00 0.00 C ATOM 818 O VAL A 55 6.928 3.469 1.247 1.00 0.00 O ATOM 819 CB VAL A 55 5.044 1.459 2.606 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.157 0.875 1.201 1.00 0.00 C ATOM 821 CG2 VAL A 55 6.116 0.833 3.510 1.00 0.00 C ATOM 0 H VAL A 55 4.313 3.421 0.788 1.00 0.00 H new ATOM 0 HA VAL A 55 4.848 3.189 3.729 1.00 0.00 H new ATOM 0 HB VAL A 55 4.047 1.198 2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.121 -0.213 1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.330 1.236 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.101 1.185 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.066 -0.253 3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.102 1.173 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.942 1.134 4.543 1.00 0.00 H new ATOM 831 N THR A 56 6.969 4.413 3.296 1.00 0.00 N ATOM 832 CA THR A 56 8.241 5.100 3.111 1.00 0.00 C ATOM 833 C THR A 56 9.346 4.337 3.845 1.00 0.00 C ATOM 834 O THR A 56 9.448 4.401 5.075 1.00 0.00 O ATOM 835 CB THR A 56 8.171 6.562 3.562 1.00 0.00 C ATOM 836 OG1 THR A 56 6.859 7.100 3.425 1.00 0.00 O ATOM 837 CG2 THR A 56 9.156 7.396 2.736 1.00 0.00 C ATOM 0 H THR A 56 6.538 4.582 4.205 1.00 0.00 H new ATOM 0 HA THR A 56 8.473 5.118 2.046 1.00 0.00 H new ATOM 0 HB THR A 56 8.435 6.599 4.619 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.855 8.033 3.724 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.108 8.437 3.055 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.167 7.017 2.884 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.894 7.328 1.680 1.00 0.00 H new ATOM 845 N GLU A 57 10.103 3.540 3.099 1.00 0.00 N ATOM 846 CA GLU A 57 11.214 2.739 3.591 1.00 0.00 C ATOM 847 C GLU A 57 12.327 3.666 4.072 1.00 0.00 C ATOM 848 O GLU A 57 13.055 3.281 5.011 1.00 0.00 O ATOM 849 CB GLU A 57 11.704 1.827 2.458 1.00 0.00 C ATOM 850 CG GLU A 57 12.468 0.587 2.915 1.00 0.00 C ATOM 851 CD GLU A 57 13.822 0.472 2.195 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.884 0.514 0.945 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.860 0.388 2.890 1.00 0.00 O ATOM 0 H GLU A 57 9.952 3.431 2.096 1.00 0.00 H new ATOM 0 HA GLU A 57 10.900 2.118 4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.843 1.509 1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.346 2.408 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.628 0.632 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.872 -0.304 2.718 1.00 0.00 H new TER 860 GLU A 57