USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 712 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 101 HIS : no HD1:sc= 0.0982 K(o=0.43,f=-0.76) USER MOD Set 1.2: A 102 TYR OH : rot 34:sc= 0.335 USER MOD Single : A 4 ASN : amide:sc= -0.493 K(o=-0.49,f=-3.5!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0172) USER MOD Single : A 22 ASN : amide:sc= -1.91 K(o=-1.9,f=-6.5!) USER MOD Single : A 23 TYR OH : rot -43:sc= -0.0404 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 26 LYS NZ :NH3+ 177:sc= 1.34 (180deg=1.34) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0544 X(o=-0.054,f=-0.047) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0693) USER MOD Single : A 40 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= -0.401 (180deg=-0.507) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 90 SER OG : rot 137:sc= 1.85 USER MOD Single : A 91 SER OG : rot 53:sc= 0.339 USER MOD Single : A 96 TYR OH : rot 180:sc= 1.2 USER MOD Single : A 97 LYS NZ :NH3+ 133:sc= 0.138 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 104:sc= 1.04 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 44:sc= 0.865 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.349 USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 3 8.248 -2.596 10.819 1.00 0.00 N ATOM 28 CA ILE A 3 6.813 -2.810 10.748 1.00 0.00 C ATOM 29 C ILE A 3 6.393 -2.945 9.283 1.00 0.00 C ATOM 30 O ILE A 3 6.788 -2.136 8.444 1.00 0.00 O ATOM 31 CB ILE A 3 6.068 -1.706 11.501 1.00 0.00 C ATOM 32 CG1 ILE A 3 6.357 -1.776 13.002 1.00 0.00 C ATOM 33 CG2 ILE A 3 4.568 -1.754 11.203 1.00 0.00 C ATOM 34 CD1 ILE A 3 6.133 -0.416 13.668 1.00 0.00 C ATOM 0 HA ILE A 3 6.543 -3.742 11.245 1.00 0.00 H new ATOM 0 HB ILE A 3 6.435 -0.743 11.146 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.712 -2.523 13.466 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.386 -2.099 13.163 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.063 -0.959 11.751 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.405 -1.618 10.134 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.166 -2.719 11.512 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.345 -0.494 14.734 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.797 0.323 13.219 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.097 -0.107 13.526 1.00 0.00 H new ATOM 46 N ASN A 4 5.599 -3.972 9.020 1.00 0.00 N ATOM 47 CA ASN A 4 5.322 -4.373 7.651 1.00 0.00 C ATOM 48 C ASN A 4 4.033 -5.197 7.616 1.00 0.00 C ATOM 49 O ASN A 4 3.901 -6.115 6.809 1.00 0.00 O ATOM 50 CB ASN A 4 6.452 -5.238 7.090 1.00 0.00 C ATOM 51 CG ASN A 4 6.546 -6.569 7.838 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.134 -7.612 7.356 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.109 -6.476 9.039 1.00 0.00 N ATOM 0 H ASN A 4 5.138 -4.539 9.732 1.00 0.00 H new ATOM 0 HA ASN A 4 5.227 -3.470 7.048 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.281 -5.424 6.030 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.399 -4.704 7.171 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.218 -7.309 9.617 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.432 -5.571 9.382 1.00 0.00 H new ATOM 60 N THR A 5 3.116 -4.839 8.503 1.00 0.00 N ATOM 61 CA THR A 5 1.907 -5.624 8.687 1.00 0.00 C ATOM 62 C THR A 5 0.669 -4.772 8.402 1.00 0.00 C ATOM 63 O THR A 5 0.760 -3.548 8.312 1.00 0.00 O ATOM 64 CB THR A 5 1.932 -6.206 10.102 1.00 0.00 C ATOM 65 OG1 THR A 5 2.063 -5.064 10.944 1.00 0.00 O ATOM 66 CG2 THR A 5 3.197 -7.020 10.379 1.00 0.00 C ATOM 0 H THR A 5 3.186 -4.016 9.102 1.00 0.00 H new ATOM 0 HA THR A 5 1.862 -6.452 7.980 1.00 0.00 H new ATOM 0 HB THR A 5 1.056 -6.837 10.250 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.086 -5.349 11.881 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.163 -7.410 11.396 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.257 -7.849 9.674 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.073 -6.382 10.264 1.00 0.00 H new ATOM 74 N PHE A 6 -0.460 -5.452 8.267 1.00 0.00 N ATOM 75 CA PHE A 6 -1.705 -4.778 7.942 1.00 0.00 C ATOM 76 C PHE A 6 -2.090 -3.778 9.034 1.00 0.00 C ATOM 77 O PHE A 6 -2.380 -2.618 8.745 1.00 0.00 O ATOM 78 CB PHE A 6 -2.787 -5.856 7.850 1.00 0.00 C ATOM 79 CG PHE A 6 -2.594 -6.834 6.689 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.823 -6.426 5.412 1.00 0.00 C ATOM 81 CD2 PHE A 6 -2.195 -8.110 6.935 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.644 -7.334 4.335 1.00 0.00 C ATOM 83 CE2 PHE A 6 -2.016 -9.018 5.857 1.00 0.00 C ATOM 84 CZ PHE A 6 -2.244 -8.610 4.580 1.00 0.00 C ATOM 0 H PHE A 6 -0.538 -6.463 8.377 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.597 -4.229 7.007 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.807 -6.417 8.784 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.759 -5.373 7.747 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.141 -5.412 5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.014 -8.433 7.949 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.826 -7.011 3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.699 -10.032 6.052 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.107 -9.300 3.760 1.00 0.00 H new ATOM 94 N ASP A 7 -2.079 -4.264 10.267 1.00 0.00 N ATOM 95 CA ASP A 7 -2.476 -3.443 11.398 1.00 0.00 C ATOM 96 C ASP A 7 -1.407 -2.377 11.649 1.00 0.00 C ATOM 97 O ASP A 7 -1.726 -1.252 12.031 1.00 0.00 O ATOM 98 CB ASP A 7 -2.611 -4.285 12.669 1.00 0.00 C ATOM 99 CG ASP A 7 -3.580 -5.464 12.563 1.00 0.00 C ATOM 100 OD1 ASP A 7 -3.217 -6.436 11.865 1.00 0.00 O ATOM 101 OD2 ASP A 7 -4.662 -5.367 13.182 1.00 0.00 O ATOM 0 H ASP A 7 -1.801 -5.216 10.507 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.438 -2.987 11.163 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.627 -4.666 12.941 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.938 -3.638 13.483 1.00 0.00 H new ATOM 106 N GLY A 8 -0.162 -2.769 11.425 1.00 0.00 N ATOM 107 CA GLY A 8 0.965 -1.936 11.809 1.00 0.00 C ATOM 108 C GLY A 8 1.075 -0.710 10.900 1.00 0.00 C ATOM 109 O GLY A 8 1.210 0.414 11.381 1.00 0.00 O ATOM 0 H GLY A 8 0.092 -3.652 10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.849 -1.616 12.845 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.886 -2.517 11.756 1.00 0.00 H new ATOM 113 N VAL A 9 1.013 -0.968 9.602 1.00 0.00 N ATOM 114 CA VAL A 9 1.024 0.107 8.624 1.00 0.00 C ATOM 115 C VAL A 9 -0.240 0.952 8.787 1.00 0.00 C ATOM 116 O VAL A 9 -0.192 2.176 8.675 1.00 0.00 O ATOM 117 CB VAL A 9 1.181 -0.469 7.215 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.993 0.618 6.155 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.534 -1.164 7.054 1.00 0.00 C ATOM 0 H VAL A 9 0.955 -1.906 9.205 1.00 0.00 H new ATOM 0 HA VAL A 9 1.878 0.764 8.789 1.00 0.00 H new ATOM 0 HB VAL A 9 0.402 -1.217 7.070 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.110 0.183 5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.004 1.048 6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.740 1.399 6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.620 -1.564 6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.335 -0.446 7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.613 -1.978 7.775 1.00 0.00 H new ATOM 129 N ALA A 10 -1.343 0.266 9.049 1.00 0.00 N ATOM 130 CA ALA A 10 -2.616 0.939 9.239 1.00 0.00 C ATOM 131 C ALA A 10 -2.501 1.918 10.409 1.00 0.00 C ATOM 132 O ALA A 10 -3.106 2.989 10.390 1.00 0.00 O ATOM 133 CB ALA A 10 -3.717 -0.101 9.456 1.00 0.00 C ATOM 0 H ALA A 10 -1.381 -0.750 9.134 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.881 1.514 8.352 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.672 0.405 9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.778 -0.753 8.585 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.486 -0.696 10.339 1.00 0.00 H new ATOM 139 N ASP A 11 -1.720 1.516 11.401 1.00 0.00 N ATOM 140 CA ASP A 11 -1.571 2.312 12.607 1.00 0.00 C ATOM 141 C ASP A 11 -0.891 3.637 12.258 1.00 0.00 C ATOM 142 O ASP A 11 -1.323 4.698 12.708 1.00 0.00 O ATOM 143 CB ASP A 11 -0.701 1.592 13.639 1.00 0.00 C ATOM 144 CG ASP A 11 -1.452 1.065 14.864 1.00 0.00 C ATOM 145 OD1 ASP A 11 -1.976 -0.066 14.765 1.00 0.00 O ATOM 146 OD2 ASP A 11 -1.487 1.805 15.870 1.00 0.00 O ATOM 0 H ASP A 11 -1.183 0.649 11.394 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.564 2.478 13.025 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.201 0.756 13.150 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.078 2.276 13.976 1.00 0.00 H new ATOM 151 N TYR A 12 0.160 3.534 11.459 1.00 0.00 N ATOM 152 CA TYR A 12 0.884 4.713 11.018 1.00 0.00 C ATOM 153 C TYR A 12 -0.043 5.682 10.281 1.00 0.00 C ATOM 154 O TYR A 12 0.019 6.892 10.497 1.00 0.00 O ATOM 155 CB TYR A 12 1.955 4.213 10.046 1.00 0.00 C ATOM 156 CG TYR A 12 3.303 3.916 10.704 1.00 0.00 C ATOM 157 CD1 TYR A 12 4.100 4.954 11.143 1.00 0.00 C ATOM 158 CD2 TYR A 12 3.723 2.611 10.859 1.00 0.00 C ATOM 159 CE1 TYR A 12 5.369 4.675 11.763 1.00 0.00 C ATOM 160 CE2 TYR A 12 4.993 2.332 11.479 1.00 0.00 C ATOM 161 CZ TYR A 12 5.753 3.378 11.900 1.00 0.00 C ATOM 162 OH TYR A 12 6.952 3.114 12.485 1.00 0.00 O ATOM 0 H TYR A 12 0.528 2.651 11.105 1.00 0.00 H new ATOM 0 HA TYR A 12 1.308 5.243 11.871 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.594 3.308 9.558 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.100 4.960 9.266 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.772 5.976 11.021 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.100 1.799 10.516 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.002 5.478 12.111 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.334 1.315 11.607 1.00 0.00 H new ATOM 0 HH TYR A 12 7.162 3.818 13.134 1.00 0.00 H new ATOM 172 N LEU A 13 -0.882 5.114 9.427 1.00 0.00 N ATOM 173 CA LEU A 13 -1.847 5.908 8.686 1.00 0.00 C ATOM 174 C LEU A 13 -2.718 6.692 9.670 1.00 0.00 C ATOM 175 O LEU A 13 -2.787 7.919 9.603 1.00 0.00 O ATOM 176 CB LEU A 13 -2.646 5.023 7.728 1.00 0.00 C ATOM 177 CG LEU A 13 -1.971 4.700 6.393 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.193 3.237 6.006 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.438 5.660 5.296 1.00 0.00 C ATOM 0 H LEU A 13 -0.913 4.113 9.232 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.337 6.639 8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.872 4.085 8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.598 5.512 7.522 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.897 4.843 6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.703 3.034 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.773 2.589 6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.262 3.043 5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.943 5.409 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.517 5.573 5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.186 6.683 5.576 1.00 0.00 H new ATOM 191 N ILE A 14 -3.363 5.952 10.560 1.00 0.00 N ATOM 192 CA ILE A 14 -4.296 6.553 11.498 1.00 0.00 C ATOM 193 C ILE A 14 -3.591 7.674 12.264 1.00 0.00 C ATOM 194 O ILE A 14 -4.137 8.766 12.415 1.00 0.00 O ATOM 195 CB ILE A 14 -4.911 5.482 12.401 1.00 0.00 C ATOM 196 CG1 ILE A 14 -5.866 4.583 11.614 1.00 0.00 C ATOM 197 CG2 ILE A 14 -5.591 6.115 13.617 1.00 0.00 C ATOM 198 CD1 ILE A 14 -7.234 5.248 11.448 1.00 0.00 C ATOM 0 H ILE A 14 -3.258 4.942 10.651 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.132 7.007 10.967 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.107 4.848 12.775 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.442 4.366 10.634 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.981 3.630 12.130 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.020 5.332 14.243 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.856 6.678 14.193 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.382 6.787 13.283 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.894 4.588 10.885 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.666 5.441 12.430 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.118 6.189 10.911 1.00 0.00 H new ATOM 210 N ARG A 15 -2.390 7.365 12.729 1.00 0.00 N ATOM 211 CA ARG A 15 -1.731 8.204 13.716 1.00 0.00 C ATOM 212 C ARG A 15 -1.198 9.478 13.058 1.00 0.00 C ATOM 213 O ARG A 15 -1.636 10.580 13.386 1.00 0.00 O ATOM 214 CB ARG A 15 -0.573 7.461 14.385 1.00 0.00 C ATOM 215 CG ARG A 15 -0.444 7.857 15.857 1.00 0.00 C ATOM 216 CD ARG A 15 0.650 7.043 16.550 1.00 0.00 C ATOM 217 NE ARG A 15 0.263 5.616 16.603 1.00 0.00 N ATOM 218 CZ ARG A 15 1.114 4.616 16.870 1.00 0.00 C ATOM 219 NH1 ARG A 15 2.365 4.889 17.265 1.00 0.00 N ATOM 220 NH2 ARG A 15 0.714 3.344 16.743 1.00 0.00 N ATOM 0 H ARG A 15 -1.856 6.545 12.441 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.468 8.464 14.476 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.733 6.386 14.307 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.357 7.684 13.862 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.214 8.920 15.933 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.396 7.700 16.364 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.592 7.153 16.013 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.812 7.422 17.559 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.713 5.378 16.425 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.669 5.858 17.362 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.013 4.128 17.468 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.239 3.136 16.443 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.362 2.583 16.946 1.00 0.00 H new ATOM 234 N TYR A 16 -0.260 9.286 12.142 1.00 0.00 N ATOM 235 CA TYR A 16 0.484 10.404 11.586 1.00 0.00 C ATOM 236 C TYR A 16 -0.216 10.967 10.348 1.00 0.00 C ATOM 237 O TYR A 16 0.223 11.968 9.784 1.00 0.00 O ATOM 238 CB TYR A 16 1.846 9.841 11.176 1.00 0.00 C ATOM 239 CG TYR A 16 2.704 9.368 12.351 1.00 0.00 C ATOM 240 CD1 TYR A 16 3.426 10.283 13.090 1.00 0.00 C ATOM 241 CD2 TYR A 16 2.756 8.027 12.671 1.00 0.00 C ATOM 242 CE1 TYR A 16 4.233 9.838 14.197 1.00 0.00 C ATOM 243 CE2 TYR A 16 3.563 7.582 13.778 1.00 0.00 C ATOM 244 CZ TYR A 16 4.262 8.509 14.486 1.00 0.00 C ATOM 245 OH TYR A 16 5.025 8.089 15.530 1.00 0.00 O ATOM 0 H TYR A 16 0.002 8.373 11.771 1.00 0.00 H new ATOM 0 HA TYR A 16 0.567 11.210 12.315 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.692 9.006 10.493 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.393 10.606 10.625 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.386 11.333 12.838 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.192 7.311 12.092 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.802 10.543 14.784 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.612 6.535 14.040 1.00 0.00 H new ATOM 0 HH TYR A 16 4.949 7.116 15.620 1.00 0.00 H new ATOM 255 N LYS A 17 -1.294 10.300 9.962 1.00 0.00 N ATOM 256 CA LYS A 17 -2.132 10.792 8.881 1.00 0.00 C ATOM 257 C LYS A 17 -1.411 10.585 7.548 1.00 0.00 C ATOM 258 O LYS A 17 -1.614 11.345 6.603 1.00 0.00 O ATOM 259 CB LYS A 17 -2.541 12.244 9.139 1.00 0.00 C ATOM 260 CG LYS A 17 -3.895 12.553 8.498 1.00 0.00 C ATOM 261 CD LYS A 17 -4.320 13.996 8.783 1.00 0.00 C ATOM 262 CE LYS A 17 -5.637 14.329 8.079 1.00 0.00 C ATOM 263 NZ LYS A 17 -6.770 13.657 8.754 1.00 0.00 N ATOM 0 H LYS A 17 -1.607 9.423 10.378 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.062 10.226 8.832 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.593 12.426 10.212 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.783 12.916 8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.837 12.393 7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.649 11.865 8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.431 14.141 9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.541 14.681 8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.794 15.408 8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.589 14.014 7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.661 13.934 8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.652 12.626 8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.794 13.938 9.755 1.00 0.00 H new ATOM 277 N ARG A 18 -0.583 9.551 7.514 1.00 0.00 N ATOM 278 CA ARG A 18 0.100 9.178 6.286 1.00 0.00 C ATOM 279 C ARG A 18 0.836 7.850 6.471 1.00 0.00 C ATOM 280 O ARG A 18 0.927 7.335 7.584 1.00 0.00 O ATOM 281 CB ARG A 18 1.101 10.255 5.865 1.00 0.00 C ATOM 282 CG ARG A 18 1.935 10.726 7.058 1.00 0.00 C ATOM 283 CD ARG A 18 3.245 11.365 6.594 1.00 0.00 C ATOM 284 NE ARG A 18 4.042 11.795 7.765 1.00 0.00 N ATOM 285 CZ ARG A 18 5.291 12.274 7.689 1.00 0.00 C ATOM 286 NH1 ARG A 18 5.872 12.444 6.493 1.00 0.00 N ATOM 287 NH2 ARG A 18 5.959 12.582 8.809 1.00 0.00 N ATOM 0 H ARG A 18 -0.369 8.960 8.317 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.653 9.073 5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.759 9.862 5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.569 11.102 5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.363 11.445 7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.150 9.881 7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.815 10.653 5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.034 12.221 5.953 1.00 0.00 H new ATOM 0 HE ARG A 18 3.613 11.722 8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.363 12.209 5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.823 12.809 6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.517 12.452 9.719 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.910 12.947 8.752 1.00 0.00 H new ATOM 301 N LEU A 19 1.344 7.333 5.362 1.00 0.00 N ATOM 302 CA LEU A 19 2.191 6.153 5.406 1.00 0.00 C ATOM 303 C LEU A 19 3.436 6.454 6.243 1.00 0.00 C ATOM 304 O LEU A 19 3.714 7.611 6.554 1.00 0.00 O ATOM 305 CB LEU A 19 2.506 5.666 3.990 1.00 0.00 C ATOM 306 CG LEU A 19 1.394 4.883 3.288 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.722 4.674 1.808 1.00 0.00 C ATOM 308 CD2 LEU A 19 1.118 3.560 4.005 1.00 0.00 C ATOM 0 H LEU A 19 1.185 7.710 4.427 1.00 0.00 H new ATOM 0 HA LEU A 19 1.670 5.329 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.757 6.531 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.395 5.037 4.033 1.00 0.00 H new ATOM 0 HG LEU A 19 0.478 5.473 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.916 4.115 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.830 5.642 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.654 4.116 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.324 3.024 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.023 2.953 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.810 3.760 5.031 1.00 0.00 H new ATOM 320 N PRO A 20 4.171 5.365 6.593 1.00 0.00 N ATOM 321 CA PRO A 20 5.553 5.500 7.020 1.00 0.00 C ATOM 322 C PRO A 20 6.470 5.779 5.828 1.00 0.00 C ATOM 323 O PRO A 20 6.069 5.609 4.678 1.00 0.00 O ATOM 324 CB PRO A 20 5.876 4.193 7.726 1.00 0.00 C ATOM 325 CG PRO A 20 4.824 3.198 7.264 1.00 0.00 C ATOM 326 CD PRO A 20 3.707 3.980 6.591 1.00 0.00 C ATOM 0 HA PRO A 20 5.706 6.347 7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.878 3.849 7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.848 4.317 8.809 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.258 2.478 6.570 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.437 2.631 8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.529 3.623 5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.768 3.876 7.134 1.00 0.00 H new ATOM 334 N ASP A 21 7.685 6.203 6.144 1.00 0.00 N ATOM 335 CA ASP A 21 8.565 6.771 5.137 1.00 0.00 C ATOM 336 C ASP A 21 9.405 5.655 4.511 1.00 0.00 C ATOM 337 O ASP A 21 10.275 5.918 3.683 1.00 0.00 O ATOM 338 CB ASP A 21 9.522 7.793 5.755 1.00 0.00 C ATOM 339 CG ASP A 21 10.346 8.598 4.748 1.00 0.00 C ATOM 340 OD1 ASP A 21 9.749 9.494 4.114 1.00 0.00 O ATOM 341 OD2 ASP A 21 11.555 8.299 4.636 1.00 0.00 O ATOM 0 H ASP A 21 8.081 6.164 7.083 1.00 0.00 H new ATOM 0 HA ASP A 21 7.946 7.264 4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.944 8.486 6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.205 7.270 6.425 1.00 0.00 H new ATOM 346 N ASN A 22 9.114 4.433 4.932 1.00 0.00 N ATOM 347 CA ASN A 22 9.796 3.272 4.386 1.00 0.00 C ATOM 348 C ASN A 22 9.273 2.996 2.975 1.00 0.00 C ATOM 349 O ASN A 22 9.912 2.285 2.201 1.00 0.00 O ATOM 350 CB ASN A 22 9.535 2.029 5.239 1.00 0.00 C ATOM 351 CG ASN A 22 8.055 1.640 5.204 1.00 0.00 C ATOM 352 OD1 ASN A 22 7.168 2.477 5.183 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.840 0.328 5.199 1.00 0.00 N ATOM 0 H ASN A 22 8.415 4.222 5.645 1.00 0.00 H new ATOM 0 HA ASN A 22 10.865 3.483 4.374 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.141 1.200 4.875 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.840 2.219 6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.886 -0.032 5.176 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.629 -0.318 5.218 1.00 0.00 H new ATOM 360 N TYR A 23 8.116 3.572 2.684 1.00 0.00 N ATOM 361 CA TYR A 23 7.514 3.420 1.370 1.00 0.00 C ATOM 362 C TYR A 23 7.883 4.592 0.459 1.00 0.00 C ATOM 363 O TYR A 23 7.597 5.745 0.777 1.00 0.00 O ATOM 364 CB TYR A 23 6.001 3.423 1.597 1.00 0.00 C ATOM 365 CG TYR A 23 5.481 2.196 2.348 1.00 0.00 C ATOM 366 CD1 TYR A 23 5.614 0.939 1.792 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.880 2.345 3.581 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.126 -0.216 2.499 1.00 0.00 C ATOM 369 CE2 TYR A 23 4.391 1.189 4.288 1.00 0.00 C ATOM 370 CZ TYR A 23 4.538 -0.034 3.712 1.00 0.00 C ATOM 371 OH TYR A 23 4.076 -1.125 4.380 1.00 0.00 O ATOM 0 H TYR A 23 7.579 4.145 3.335 1.00 0.00 H new ATOM 0 HA TYR A 23 7.863 2.505 0.891 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.730 4.319 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.499 3.484 0.631 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.084 0.822 0.827 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.776 3.328 4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.224 -1.205 2.076 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.918 1.291 5.254 1.00 0.00 H new ATOM 0 HH TYR A 23 3.608 -1.717 3.755 1.00 0.00 H new ATOM 381 N ILE A 24 8.514 4.256 -0.657 1.00 0.00 N ATOM 382 CA ILE A 24 8.575 5.169 -1.786 1.00 0.00 C ATOM 383 C ILE A 24 7.602 4.700 -2.869 1.00 0.00 C ATOM 384 O ILE A 24 7.093 3.582 -2.809 1.00 0.00 O ATOM 385 CB ILE A 24 10.017 5.318 -2.277 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.576 3.975 -2.750 1.00 0.00 C ATOM 387 CG2 ILE A 24 10.898 5.960 -1.204 1.00 0.00 C ATOM 388 CD1 ILE A 24 11.821 4.174 -3.617 1.00 0.00 C ATOM 0 H ILE A 24 8.987 3.364 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 24 8.260 6.168 -1.485 1.00 0.00 H new ATOM 0 HB ILE A 24 10.018 5.988 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.824 3.356 -1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.815 3.440 -3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.917 6.054 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.509 6.948 -0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.896 5.336 -0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.198 3.204 -3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.564 4.773 -4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.589 4.688 -3.039 1.00 0.00 H new ATOM 400 N THR A 25 7.373 5.579 -3.834 1.00 0.00 N ATOM 401 CA THR A 25 6.416 5.297 -4.891 1.00 0.00 C ATOM 402 C THR A 25 7.078 4.486 -6.007 1.00 0.00 C ATOM 403 O THR A 25 8.304 4.409 -6.080 1.00 0.00 O ATOM 404 CB THR A 25 5.836 6.629 -5.371 1.00 0.00 C ATOM 405 OG1 THR A 25 6.908 7.554 -5.208 1.00 0.00 O ATOM 406 CG2 THR A 25 4.742 7.159 -4.441 1.00 0.00 C ATOM 0 H THR A 25 7.833 6.486 -3.906 1.00 0.00 H new ATOM 0 HA THR A 25 5.595 4.680 -4.527 1.00 0.00 H new ATOM 0 HB THR A 25 5.432 6.508 -6.376 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.619 8.444 -5.498 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.364 8.106 -4.827 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.927 6.437 -4.389 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.155 7.312 -3.444 1.00 0.00 H new ATOM 414 N LYS A 26 6.238 3.901 -6.848 1.00 0.00 N ATOM 415 CA LYS A 26 6.725 3.164 -8.001 1.00 0.00 C ATOM 416 C LYS A 26 7.682 4.051 -8.801 1.00 0.00 C ATOM 417 O LYS A 26 8.739 3.595 -9.235 1.00 0.00 O ATOM 418 CB LYS A 26 5.555 2.624 -8.825 1.00 0.00 C ATOM 419 CG LYS A 26 4.849 1.481 -8.092 1.00 0.00 C ATOM 420 CD LYS A 26 3.577 1.059 -8.830 1.00 0.00 C ATOM 421 CE LYS A 26 2.843 -0.047 -8.069 1.00 0.00 C ATOM 422 NZ LYS A 26 2.043 0.528 -6.964 1.00 0.00 N ATOM 0 H LYS A 26 5.223 3.923 -6.754 1.00 0.00 H new ATOM 0 HA LYS A 26 7.291 2.289 -7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.845 3.427 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.918 2.272 -9.791 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.523 0.629 -8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.599 1.794 -7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.920 1.920 -8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.832 0.710 -9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.192 -0.595 -8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.563 -0.762 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.511 -0.230 -6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.677 0.988 -6.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.378 1.231 -7.346 1.00 0.00 H new ATOM 436 N SER A 27 7.278 5.301 -8.970 1.00 0.00 N ATOM 437 CA SER A 27 8.018 6.218 -9.820 1.00 0.00 C ATOM 438 C SER A 27 9.446 6.381 -9.296 1.00 0.00 C ATOM 439 O SER A 27 10.394 6.448 -10.076 1.00 0.00 O ATOM 440 CB SER A 27 7.323 7.579 -9.899 1.00 0.00 C ATOM 441 OG SER A 27 5.970 7.463 -10.332 1.00 0.00 O ATOM 0 H SER A 27 6.448 5.701 -8.533 1.00 0.00 H new ATOM 0 HA SER A 27 8.053 5.799 -10.826 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.351 8.058 -8.920 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.869 8.226 -10.586 1.00 0.00 H new ATOM 0 HG SER A 27 5.561 8.353 -10.368 1.00 0.00 H new ATOM 447 N GLN A 28 9.555 6.440 -7.976 1.00 0.00 N ATOM 448 CA GLN A 28 10.834 6.709 -7.342 1.00 0.00 C ATOM 449 C GLN A 28 11.739 5.479 -7.430 1.00 0.00 C ATOM 450 O GLN A 28 12.929 5.598 -7.721 1.00 0.00 O ATOM 451 CB GLN A 28 10.644 7.147 -5.889 1.00 0.00 C ATOM 452 CG GLN A 28 9.911 8.488 -5.812 1.00 0.00 C ATOM 453 CD GLN A 28 10.828 9.639 -6.230 1.00 0.00 C ATOM 454 OE1 GLN A 28 11.683 10.088 -5.484 1.00 0.00 O ATOM 455 NE2 GLN A 28 10.602 10.091 -7.460 1.00 0.00 N ATOM 0 H GLN A 28 8.778 6.306 -7.329 1.00 0.00 H new ATOM 0 HA GLN A 28 11.316 7.529 -7.874 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.079 6.388 -5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.615 7.231 -5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.033 8.464 -6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.554 8.654 -4.796 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.870 9.670 -8.032 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.161 10.859 -7.832 1.00 0.00 H new ATOM 464 N ALA A 29 11.142 4.324 -7.173 1.00 0.00 N ATOM 465 CA ALA A 29 11.852 3.065 -7.321 1.00 0.00 C ATOM 466 C ALA A 29 12.391 2.953 -8.748 1.00 0.00 C ATOM 467 O ALA A 29 13.541 2.571 -8.953 1.00 0.00 O ATOM 468 CB ALA A 29 10.920 1.908 -6.957 1.00 0.00 C ATOM 0 H ALA A 29 10.174 4.234 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 29 12.704 3.023 -6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.452 0.963 -7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.589 2.019 -5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.054 1.916 -7.619 1.00 0.00 H new ATOM 474 N SER A 30 11.533 3.294 -9.699 1.00 0.00 N ATOM 475 CA SER A 30 11.860 3.112 -11.103 1.00 0.00 C ATOM 476 C SER A 30 13.027 4.022 -11.491 1.00 0.00 C ATOM 477 O SER A 30 13.915 3.615 -12.238 1.00 0.00 O ATOM 478 CB SER A 30 10.648 3.395 -11.993 1.00 0.00 C ATOM 479 OG SER A 30 9.966 2.200 -12.362 1.00 0.00 O ATOM 0 H SER A 30 10.612 3.695 -9.524 1.00 0.00 H new ATOM 0 HA SER A 30 12.152 2.073 -11.253 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.960 4.058 -11.468 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.973 3.919 -12.892 1.00 0.00 H new ATOM 0 HG SER A 30 9.198 2.423 -12.928 1.00 0.00 H new ATOM 485 N ALA A 31 12.988 5.238 -10.965 1.00 0.00 N ATOM 486 CA ALA A 31 14.037 6.206 -11.238 1.00 0.00 C ATOM 487 C ALA A 31 15.382 5.636 -10.783 1.00 0.00 C ATOM 488 O ALA A 31 16.399 5.829 -11.447 1.00 0.00 O ATOM 489 CB ALA A 31 13.701 7.530 -10.550 1.00 0.00 C ATOM 0 H ALA A 31 12.246 5.575 -10.351 1.00 0.00 H new ATOM 0 HA ALA A 31 14.108 6.404 -12.308 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.488 8.256 -10.755 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.751 7.907 -10.930 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.624 7.372 -9.474 1.00 0.00 H new ATOM 495 N LEU A 32 15.343 4.946 -9.652 1.00 0.00 N ATOM 496 CA LEU A 32 16.559 4.418 -9.056 1.00 0.00 C ATOM 497 C LEU A 32 17.026 3.199 -9.854 1.00 0.00 C ATOM 498 O LEU A 32 18.180 2.787 -9.747 1.00 0.00 O ATOM 499 CB LEU A 32 16.346 4.135 -7.568 1.00 0.00 C ATOM 500 CG LEU A 32 16.119 5.358 -6.678 1.00 0.00 C ATOM 501 CD1 LEU A 32 15.457 4.960 -5.357 1.00 0.00 C ATOM 502 CD2 LEU A 32 17.424 6.126 -6.457 1.00 0.00 C ATOM 0 H LEU A 32 14.489 4.741 -9.133 1.00 0.00 H new ATOM 0 HA LEU A 32 17.359 5.156 -9.105 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.488 3.471 -7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.215 3.594 -7.193 1.00 0.00 H new ATOM 0 HG LEU A 32 15.433 6.031 -7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.307 5.848 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.494 4.492 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.098 4.256 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.234 6.991 -5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.153 5.474 -5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 32 17.816 6.461 -7.417 1.00 0.00 H new ATOM 514 N GLY A 33 16.104 2.656 -10.636 1.00 0.00 N ATOM 515 CA GLY A 33 16.455 1.631 -11.605 1.00 0.00 C ATOM 516 C GLY A 33 15.806 0.293 -11.247 1.00 0.00 C ATOM 517 O GLY A 33 16.352 -0.767 -11.552 1.00 0.00 O ATOM 0 H GLY A 33 15.115 2.906 -10.618 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.134 1.940 -12.600 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.538 1.516 -11.641 1.00 0.00 H new ATOM 521 N TRP A 34 14.651 0.384 -10.605 1.00 0.00 N ATOM 522 CA TRP A 34 13.868 -0.801 -10.300 1.00 0.00 C ATOM 523 C TRP A 34 13.008 -1.127 -11.523 1.00 0.00 C ATOM 524 O TRP A 34 12.358 -0.245 -12.081 1.00 0.00 O ATOM 525 CB TRP A 34 13.045 -0.602 -9.026 1.00 0.00 C ATOM 526 CG TRP A 34 11.904 -1.607 -8.859 1.00 0.00 C ATOM 527 CD1 TRP A 34 11.989 -2.915 -8.581 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.492 -1.330 -8.972 1.00 0.00 C ATOM 529 NE1 TRP A 34 10.741 -3.499 -8.507 1.00 0.00 N ATOM 530 CE2 TRP A 34 9.802 -2.505 -8.752 1.00 0.00 C ATOM 531 CE3 TRP A 34 9.820 -0.127 -9.251 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.405 -2.592 -8.788 1.00 0.00 C ATOM 533 CZ3 TRP A 34 8.424 -0.231 -9.284 1.00 0.00 C ATOM 534 CH2 TRP A 34 7.714 -1.406 -9.064 1.00 0.00 C ATOM 0 H TRP A 34 14.238 1.261 -10.287 1.00 0.00 H new ATOM 0 HA TRP A 34 14.519 -1.651 -10.095 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.707 -0.673 -8.163 1.00 0.00 H new ATOM 0 HB3 TRP A 34 12.630 0.406 -9.027 1.00 0.00 H new ATOM 0 HD1 TRP A 34 12.918 -3.446 -8.433 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.544 -4.480 -8.309 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.339 0.804 -9.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 7.888 -3.524 -8.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 7.859 0.665 -9.495 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.635 -1.404 -9.106 1.00 0.00 H new ATOM 545 N VAL A 35 13.033 -2.396 -11.903 1.00 0.00 N ATOM 546 CA VAL A 35 12.600 -2.787 -13.234 1.00 0.00 C ATOM 547 C VAL A 35 11.217 -3.435 -13.146 1.00 0.00 C ATOM 548 O VAL A 35 10.448 -3.398 -14.105 1.00 0.00 O ATOM 549 CB VAL A 35 13.648 -3.698 -13.878 1.00 0.00 C ATOM 550 CG1 VAL A 35 13.316 -3.961 -15.348 1.00 0.00 C ATOM 551 CG2 VAL A 35 15.052 -3.109 -13.729 1.00 0.00 C ATOM 0 H VAL A 35 13.346 -3.167 -11.313 1.00 0.00 H new ATOM 0 HA VAL A 35 12.508 -1.913 -13.879 1.00 0.00 H new ATOM 0 HB VAL A 35 13.629 -4.654 -13.354 1.00 0.00 H new ATOM 0 HG11 VAL A 35 14.076 -4.611 -15.782 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.341 -4.444 -15.420 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.294 -3.016 -15.891 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.778 -3.776 -14.195 1.00 0.00 H new ATOM 0 HG22 VAL A 35 15.091 -2.134 -14.215 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.289 -2.997 -12.671 1.00 0.00 H new ATOM 561 N ALA A 36 10.943 -4.015 -11.987 1.00 0.00 N ATOM 562 CA ALA A 36 9.638 -4.602 -11.734 1.00 0.00 C ATOM 563 C ALA A 36 9.437 -5.804 -12.659 1.00 0.00 C ATOM 564 O ALA A 36 8.310 -6.120 -13.036 1.00 0.00 O ATOM 565 CB ALA A 36 8.555 -3.538 -11.917 1.00 0.00 C ATOM 0 H ALA A 36 11.602 -4.091 -11.212 1.00 0.00 H new ATOM 0 HA ALA A 36 9.571 -4.961 -10.707 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.576 -3.979 -11.727 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.727 -2.720 -11.217 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.589 -3.156 -12.937 1.00 0.00 H new ATOM 571 N SER A 37 10.548 -6.442 -12.998 1.00 0.00 N ATOM 572 CA SER A 37 10.507 -7.604 -13.870 1.00 0.00 C ATOM 573 C SER A 37 11.853 -8.331 -13.835 1.00 0.00 C ATOM 574 O SER A 37 11.913 -9.518 -13.521 1.00 0.00 O ATOM 575 CB SER A 37 10.156 -7.204 -15.304 1.00 0.00 C ATOM 576 OG SER A 37 10.299 -8.293 -16.212 1.00 0.00 O ATOM 0 H SER A 37 11.482 -6.176 -12.685 1.00 0.00 H new ATOM 0 HA SER A 37 9.729 -8.276 -13.509 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.130 -6.837 -15.337 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.799 -6.382 -15.619 1.00 0.00 H new ATOM 0 HG SER A 37 10.064 -7.998 -17.117 1.00 0.00 H new ATOM 582 N LYS A 38 12.900 -7.587 -14.163 1.00 0.00 N ATOM 583 CA LYS A 38 14.246 -8.133 -14.127 1.00 0.00 C ATOM 584 C LYS A 38 15.155 -7.185 -13.342 1.00 0.00 C ATOM 585 O LYS A 38 15.972 -6.476 -13.927 1.00 0.00 O ATOM 586 CB LYS A 38 14.743 -8.428 -15.544 1.00 0.00 C ATOM 587 CG LYS A 38 16.043 -9.234 -15.512 1.00 0.00 C ATOM 588 CD LYS A 38 16.557 -9.502 -16.928 1.00 0.00 C ATOM 589 CE LYS A 38 17.787 -10.411 -16.902 1.00 0.00 C ATOM 590 NZ LYS A 38 18.940 -9.706 -16.299 1.00 0.00 N ATOM 0 H LYS A 38 12.843 -6.611 -14.455 1.00 0.00 H new ATOM 0 HA LYS A 38 14.255 -9.090 -13.605 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.981 -8.982 -16.093 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.904 -7.492 -16.079 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.798 -8.691 -14.944 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.876 -10.180 -14.997 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.770 -9.966 -17.523 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.808 -8.558 -17.412 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.567 -11.314 -16.333 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.035 -10.726 -17.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.794 -10.291 -16.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 19.085 -8.798 -16.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 18.752 -9.532 -15.291 1.00 0.00 H new ATOM 604 N GLY A 39 14.981 -7.203 -12.028 1.00 0.00 N ATOM 605 CA GLY A 39 15.711 -6.290 -11.165 1.00 0.00 C ATOM 606 C GLY A 39 14.956 -6.052 -9.855 1.00 0.00 C ATOM 607 O GLY A 39 13.984 -5.299 -9.823 1.00 0.00 O ATOM 0 H GLY A 39 14.346 -7.835 -11.541 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.699 -6.698 -10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.863 -5.341 -11.679 1.00 0.00 H new ATOM 611 N ASN A 40 15.432 -6.709 -8.807 1.00 0.00 N ATOM 612 CA ASN A 40 14.728 -6.701 -7.537 1.00 0.00 C ATOM 613 C ASN A 40 14.880 -5.326 -6.882 1.00 0.00 C ATOM 614 O ASN A 40 15.719 -4.527 -7.296 1.00 0.00 O ATOM 615 CB ASN A 40 15.305 -7.747 -6.580 1.00 0.00 C ATOM 616 CG ASN A 40 16.767 -7.439 -6.249 1.00 0.00 C ATOM 617 OD1 ASN A 40 17.660 -7.589 -7.067 1.00 0.00 O ATOM 618 ND2 ASN A 40 16.960 -7.002 -5.008 1.00 0.00 N ATOM 0 H ASN A 40 16.297 -7.250 -8.812 1.00 0.00 H new ATOM 0 HA ASN A 40 13.680 -6.929 -7.732 1.00 0.00 H new ATOM 0 HB2 ASN A 40 14.717 -7.769 -5.662 1.00 0.00 H new ATOM 0 HB3 ASN A 40 15.231 -8.737 -7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.901 -6.769 -4.690 1.00 0.00 H new ATOM 0 HD22 ASN A 40 16.167 -6.899 -4.374 1.00 0.00 H new ATOM 625 N LEU A 41 14.056 -5.093 -5.871 1.00 0.00 N ATOM 626 CA LEU A 41 13.881 -3.751 -5.343 1.00 0.00 C ATOM 627 C LEU A 41 15.122 -3.357 -4.540 1.00 0.00 C ATOM 628 O LEU A 41 15.765 -2.352 -4.839 1.00 0.00 O ATOM 629 CB LEU A 41 12.578 -3.655 -4.546 1.00 0.00 C ATOM 630 CG LEU A 41 12.048 -2.242 -4.295 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.760 -1.522 -5.614 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.823 -2.270 -3.378 1.00 0.00 C ATOM 0 H LEU A 41 13.502 -5.811 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 41 13.785 -3.032 -6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.810 -4.221 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.728 -4.142 -3.582 1.00 0.00 H new ATOM 0 HG LEU A 41 12.822 -1.674 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.384 -0.520 -5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.678 -1.452 -6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.013 -2.080 -6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.466 -1.253 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.034 -2.861 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.095 -2.716 -2.421 1.00 0.00 H new ATOM 644 N ALA A 42 15.423 -4.169 -3.538 1.00 0.00 N ATOM 645 CA ALA A 42 16.401 -3.789 -2.533 1.00 0.00 C ATOM 646 C ALA A 42 17.708 -3.395 -3.224 1.00 0.00 C ATOM 647 O ALA A 42 18.470 -2.583 -2.702 1.00 0.00 O ATOM 648 CB ALA A 42 16.590 -4.939 -1.542 1.00 0.00 C ATOM 0 H ALA A 42 15.006 -5.090 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 42 16.053 -2.925 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 42 17.324 -4.653 -0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 42 15.640 -5.161 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 42 16.942 -5.823 -2.074 1.00 0.00 H new ATOM 654 N GLU A 43 17.927 -3.988 -4.389 1.00 0.00 N ATOM 655 CA GLU A 43 19.154 -3.751 -5.130 1.00 0.00 C ATOM 656 C GLU A 43 19.367 -2.251 -5.339 1.00 0.00 C ATOM 657 O GLU A 43 20.453 -1.733 -5.084 1.00 0.00 O ATOM 658 CB GLU A 43 19.138 -4.494 -6.468 1.00 0.00 C ATOM 659 CG GLU A 43 20.422 -4.231 -7.256 1.00 0.00 C ATOM 660 CD GLU A 43 20.466 -5.076 -8.531 1.00 0.00 C ATOM 661 OE1 GLU A 43 19.750 -4.701 -9.485 1.00 0.00 O ATOM 662 OE2 GLU A 43 21.214 -6.077 -8.523 1.00 0.00 O ATOM 0 H GLU A 43 17.275 -4.632 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 43 19.989 -4.138 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.027 -5.564 -6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 43 18.276 -4.176 -7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.485 -3.174 -7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.288 -4.459 -6.634 1.00 0.00 H new ATOM 669 N VAL A 44 18.313 -1.594 -5.800 1.00 0.00 N ATOM 670 CA VAL A 44 18.447 -0.257 -6.353 1.00 0.00 C ATOM 671 C VAL A 44 17.809 0.752 -5.396 1.00 0.00 C ATOM 672 O VAL A 44 18.188 1.922 -5.378 1.00 0.00 O ATOM 673 CB VAL A 44 17.847 -0.209 -7.760 1.00 0.00 C ATOM 674 CG1 VAL A 44 18.943 -0.269 -8.826 1.00 0.00 C ATOM 675 CG2 VAL A 44 16.826 -1.332 -7.959 1.00 0.00 C ATOM 0 H VAL A 44 17.362 -1.963 -5.802 1.00 0.00 H new ATOM 0 HA VAL A 44 19.499 0.011 -6.454 1.00 0.00 H new ATOM 0 HB VAL A 44 17.325 0.742 -7.870 1.00 0.00 H new ATOM 0 HG11 VAL A 44 18.489 -0.233 -9.817 1.00 0.00 H new ATOM 0 HG12 VAL A 44 19.616 0.580 -8.704 1.00 0.00 H new ATOM 0 HG13 VAL A 44 19.505 -1.196 -8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 44 16.415 -1.275 -8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 44 17.314 -2.297 -7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 44 16.021 -1.225 -7.232 1.00 0.00 H new ATOM 685 N ALA A 45 16.850 0.262 -4.624 1.00 0.00 N ATOM 686 CA ALA A 45 16.281 1.052 -3.545 1.00 0.00 C ATOM 687 C ALA A 45 16.263 0.218 -2.263 1.00 0.00 C ATOM 688 O ALA A 45 15.265 -0.431 -1.953 1.00 0.00 O ATOM 689 CB ALA A 45 14.885 1.534 -3.946 1.00 0.00 C ATOM 0 H ALA A 45 16.453 -0.672 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 45 16.889 1.936 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.458 2.126 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.956 2.146 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.245 0.673 -4.142 1.00 0.00 H new ATOM 695 N PRO A 46 17.409 0.264 -1.532 1.00 0.00 N ATOM 696 CA PRO A 46 17.571 -0.553 -0.341 1.00 0.00 C ATOM 697 C PRO A 46 16.762 0.015 0.827 1.00 0.00 C ATOM 698 O PRO A 46 16.592 1.229 0.937 1.00 0.00 O ATOM 699 CB PRO A 46 19.067 -0.570 -0.075 1.00 0.00 C ATOM 700 CG PRO A 46 19.640 0.609 -0.845 1.00 0.00 C ATOM 701 CD PRO A 46 18.578 1.091 -1.819 1.00 0.00 C ATOM 0 HA PRO A 46 17.192 -1.567 -0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 46 19.275 -0.479 0.991 1.00 0.00 H new ATOM 0 HB3 PRO A 46 19.512 -1.508 -0.408 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.923 1.410 -0.162 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.542 0.313 -1.380 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.360 2.149 -1.675 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.904 0.971 -2.852 1.00 0.00 H new ATOM 709 N GLY A 47 16.285 -0.889 1.670 1.00 0.00 N ATOM 710 CA GLY A 47 15.582 -0.489 2.877 1.00 0.00 C ATOM 711 C GLY A 47 14.226 0.135 2.541 1.00 0.00 C ATOM 712 O GLY A 47 13.608 0.779 3.387 1.00 0.00 O ATOM 0 H GLY A 47 16.372 -1.897 1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.438 -1.356 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.187 0.226 3.434 1.00 0.00 H new ATOM 716 N LYS A 48 13.802 -0.079 1.304 1.00 0.00 N ATOM 717 CA LYS A 48 12.672 0.656 0.762 1.00 0.00 C ATOM 718 C LYS A 48 11.622 -0.333 0.253 1.00 0.00 C ATOM 719 O LYS A 48 11.953 -1.456 -0.123 1.00 0.00 O ATOM 720 CB LYS A 48 13.142 1.654 -0.299 1.00 0.00 C ATOM 721 CG LYS A 48 12.902 3.094 0.159 1.00 0.00 C ATOM 722 CD LYS A 48 13.943 3.520 1.197 1.00 0.00 C ATOM 723 CE LYS A 48 13.750 4.984 1.598 1.00 0.00 C ATOM 724 NZ LYS A 48 12.618 5.118 2.542 1.00 0.00 N ATOM 0 H LYS A 48 14.221 -0.751 0.661 1.00 0.00 H new ATOM 0 HA LYS A 48 12.197 1.253 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 48 14.203 1.504 -0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.612 1.473 -1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.944 3.764 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.902 3.182 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.864 2.884 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.945 3.379 0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.662 5.364 2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.565 5.589 0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.951 5.832 2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.131 4.204 2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.976 5.412 3.473 1.00 0.00 H new ATOM 738 N SER A 49 10.377 0.120 0.258 1.00 0.00 N ATOM 739 CA SER A 49 9.296 -0.655 -0.327 1.00 0.00 C ATOM 740 C SER A 49 8.421 0.245 -1.202 1.00 0.00 C ATOM 741 O SER A 49 8.601 1.462 -1.221 1.00 0.00 O ATOM 742 CB SER A 49 8.450 -1.327 0.756 1.00 0.00 C ATOM 743 OG SER A 49 9.240 -2.131 1.628 1.00 0.00 O ATOM 0 H SER A 49 10.093 1.014 0.658 1.00 0.00 H new ATOM 0 HA SER A 49 9.733 -1.439 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.932 -0.564 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.685 -1.945 0.287 1.00 0.00 H new ATOM 0 HG SER A 49 8.664 -2.542 2.306 1.00 0.00 H new ATOM 749 N ILE A 50 7.492 -0.387 -1.903 1.00 0.00 N ATOM 750 CA ILE A 50 6.513 0.349 -2.685 1.00 0.00 C ATOM 751 C ILE A 50 5.307 0.680 -1.803 1.00 0.00 C ATOM 752 O ILE A 50 4.795 -0.186 -1.096 1.00 0.00 O ATOM 753 CB ILE A 50 6.153 -0.422 -3.956 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.411 -0.827 -4.727 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.180 0.378 -4.825 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.269 0.396 -5.058 1.00 0.00 C ATOM 0 H ILE A 50 7.396 -1.402 -1.946 1.00 0.00 H new ATOM 0 HA ILE A 50 6.931 1.297 -3.023 1.00 0.00 H new ATOM 0 HB ILE A 50 5.644 -1.341 -3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.992 -1.534 -4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.129 -1.338 -5.648 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.940 -0.192 -5.722 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.266 0.572 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.640 1.325 -5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.157 0.080 -5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.693 1.090 -5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.570 0.890 -4.134 1.00 0.00 H new ATOM 768 N GLY A 51 4.889 1.935 -1.874 1.00 0.00 N ATOM 769 CA GLY A 51 3.615 2.333 -1.300 1.00 0.00 C ATOM 770 C GLY A 51 3.294 3.791 -1.635 1.00 0.00 C ATOM 771 O GLY A 51 4.173 4.544 -2.051 1.00 0.00 O ATOM 0 H GLY A 51 5.410 2.690 -2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.824 1.686 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.643 2.202 -0.218 1.00 0.00 H new ATOM 775 N GLY A 52 2.032 4.145 -1.440 1.00 0.00 N ATOM 776 CA GLY A 52 1.613 5.529 -1.586 1.00 0.00 C ATOM 777 C GLY A 52 1.208 5.830 -3.031 1.00 0.00 C ATOM 778 O GLY A 52 1.016 6.988 -3.397 1.00 0.00 O ATOM 0 H GLY A 52 1.287 3.498 -1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.774 5.731 -0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.425 6.192 -1.286 1.00 0.00 H new ATOM 782 N ASP A 53 1.092 4.766 -3.813 1.00 0.00 N ATOM 783 CA ASP A 53 0.615 4.891 -5.180 1.00 0.00 C ATOM 784 C ASP A 53 -0.908 4.749 -5.199 1.00 0.00 C ATOM 785 O ASP A 53 -1.501 4.252 -4.243 1.00 0.00 O ATOM 786 CB ASP A 53 1.204 3.796 -6.071 1.00 0.00 C ATOM 787 CG ASP A 53 2.718 3.610 -5.952 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.440 4.447 -6.535 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.119 2.634 -5.281 1.00 0.00 O ATOM 0 H ASP A 53 1.320 3.814 -3.526 1.00 0.00 H new ATOM 0 HA ASP A 53 0.923 5.866 -5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.717 2.851 -5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.962 4.024 -7.109 1.00 0.00 H new ATOM 794 N VAL A 54 -1.498 5.194 -6.299 1.00 0.00 N ATOM 795 CA VAL A 54 -2.937 5.093 -6.470 1.00 0.00 C ATOM 796 C VAL A 54 -3.294 3.675 -6.922 1.00 0.00 C ATOM 797 O VAL A 54 -2.564 3.067 -7.704 1.00 0.00 O ATOM 798 CB VAL A 54 -3.427 6.170 -7.439 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.936 6.060 -7.665 1.00 0.00 C ATOM 800 CG2 VAL A 54 -3.048 7.567 -6.943 1.00 0.00 C ATOM 0 H VAL A 54 -1.005 5.625 -7.081 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.447 5.271 -5.523 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.932 6.008 -8.397 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.258 6.838 -8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.171 5.081 -8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.456 6.183 -6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.408 8.314 -7.650 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.502 7.742 -5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.964 7.641 -6.858 1.00 0.00 H new ATOM 810 N PHE A 55 -4.415 3.190 -6.411 1.00 0.00 N ATOM 811 CA PHE A 55 -4.904 1.875 -6.791 1.00 0.00 C ATOM 812 C PHE A 55 -6.197 1.985 -7.602 1.00 0.00 C ATOM 813 O PHE A 55 -6.917 2.977 -7.497 1.00 0.00 O ATOM 814 CB PHE A 55 -5.191 1.112 -5.497 1.00 0.00 C ATOM 815 CG PHE A 55 -6.570 0.452 -5.456 1.00 0.00 C ATOM 816 CD1 PHE A 55 -7.659 1.173 -5.077 1.00 0.00 C ATOM 817 CD2 PHE A 55 -6.708 -0.857 -5.799 1.00 0.00 C ATOM 818 CE1 PHE A 55 -8.939 0.560 -5.039 1.00 0.00 C ATOM 819 CE2 PHE A 55 -7.988 -1.470 -5.762 1.00 0.00 C ATOM 820 CZ PHE A 55 -9.077 -0.749 -5.382 1.00 0.00 C ATOM 0 H PHE A 55 -5.000 3.684 -5.737 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.162 1.366 -7.406 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.428 0.345 -5.363 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.103 1.799 -4.655 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.550 2.212 -4.805 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.843 -1.430 -6.100 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.803 1.133 -4.738 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.097 -2.509 -6.036 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.051 -1.216 -5.353 1.00 0.00 H new ATOM 925 N LEU A 62 -13.993 -0.893 -3.872 1.00 0.00 N ATOM 926 CA LEU A 62 -14.279 -0.082 -2.701 1.00 0.00 C ATOM 927 C LEU A 62 -15.098 1.141 -3.119 1.00 0.00 C ATOM 928 O LEU A 62 -15.018 1.583 -4.264 1.00 0.00 O ATOM 929 CB LEU A 62 -12.986 0.268 -1.962 1.00 0.00 C ATOM 930 CG LEU A 62 -12.070 -0.909 -1.619 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.606 -0.564 -1.898 1.00 0.00 C ATOM 932 CD2 LEU A 62 -12.285 -1.368 -0.175 1.00 0.00 C ATOM 0 HA LEU A 62 -14.884 -0.643 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.423 0.975 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.247 0.781 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.333 -1.746 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.977 -1.417 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.484 -0.323 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.313 0.294 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.622 -2.205 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.066 -0.545 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.321 -1.681 -0.043 1.00 0.00 H new ATOM 944 N PRO A 63 -15.888 1.665 -2.144 1.00 0.00 N ATOM 945 CA PRO A 63 -16.804 2.757 -2.429 1.00 0.00 C ATOM 946 C PRO A 63 -16.050 4.080 -2.579 1.00 0.00 C ATOM 947 O PRO A 63 -15.024 4.290 -1.935 1.00 0.00 O ATOM 948 CB PRO A 63 -17.785 2.760 -1.268 1.00 0.00 C ATOM 949 CG PRO A 63 -17.111 1.979 -0.151 1.00 0.00 C ATOM 950 CD PRO A 63 -15.929 1.235 -0.750 1.00 0.00 C ATOM 0 HA PRO A 63 -17.329 2.630 -3.376 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -18.012 3.778 -0.951 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.730 2.297 -1.554 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.778 2.653 0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.813 1.279 0.302 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -15.002 1.482 -0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -16.060 0.156 -0.672 1.00 0.00 H new ATOM 997 N ARG A 68 -14.014 10.074 -4.257 1.00 0.00 N ATOM 998 CA ARG A 68 -13.017 9.803 -3.236 1.00 0.00 C ATOM 999 C ARG A 68 -11.900 8.926 -3.804 1.00 0.00 C ATOM 1000 O ARG A 68 -12.165 7.975 -4.538 1.00 0.00 O ATOM 1001 CB ARG A 68 -13.642 9.103 -2.027 1.00 0.00 C ATOM 1002 CG ARG A 68 -12.660 9.052 -0.855 1.00 0.00 C ATOM 1003 CD ARG A 68 -13.365 8.618 0.432 1.00 0.00 C ATOM 1004 NE ARG A 68 -13.944 7.267 0.260 1.00 0.00 N ATOM 1005 CZ ARG A 68 -14.970 6.792 0.979 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -15.366 7.435 2.087 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -15.601 5.676 0.591 1.00 0.00 N ATOM 0 HA ARG A 68 -12.604 10.759 -2.914 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.547 9.630 -1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.939 8.091 -2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -11.852 8.357 -1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -12.207 10.033 -0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.658 8.617 1.261 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.151 9.330 0.684 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.536 6.659 -0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.886 8.285 2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.147 7.074 2.635 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.301 5.187 -0.252 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.382 5.315 1.139 1.00 0.00 H new ATOM 1021 N THR A 69 -10.674 9.276 -3.443 1.00 0.00 N ATOM 1022 CA THR A 69 -9.511 8.602 -3.995 1.00 0.00 C ATOM 1023 C THR A 69 -9.053 7.479 -3.062 1.00 0.00 C ATOM 1024 O THR A 69 -9.330 7.510 -1.864 1.00 0.00 O ATOM 1025 CB THR A 69 -8.432 9.656 -4.252 1.00 0.00 C ATOM 1026 OG1 THR A 69 -9.157 10.787 -4.726 1.00 0.00 O ATOM 1027 CG2 THR A 69 -7.516 9.284 -5.420 1.00 0.00 C ATOM 0 H THR A 69 -10.461 10.017 -2.775 1.00 0.00 H new ATOM 0 HA THR A 69 -9.747 8.119 -4.943 1.00 0.00 H new ATOM 0 HB THR A 69 -7.834 9.790 -3.351 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.534 11.519 -4.916 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.769 10.065 -5.560 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.017 8.339 -5.205 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.109 9.182 -6.329 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.359 6.514 -3.646 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.885 5.368 -2.889 1.00 0.00 C ATOM 1037 C TRP A 70 -6.415 5.141 -3.243 1.00 0.00 C ATOM 1038 O TRP A 70 -6.016 5.314 -4.394 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.759 4.139 -3.149 1.00 0.00 C ATOM 1040 CG TRP A 70 -10.146 4.215 -2.507 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.213 4.907 -2.928 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.575 3.541 -1.305 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.294 4.730 -2.088 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -11.894 3.873 -1.070 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.872 2.680 -0.444 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.623 3.389 0.022 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.615 2.205 0.643 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -11.943 2.529 0.893 1.00 0.00 C ATOM 0 H TRP A 70 -8.113 6.502 -4.636 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.959 5.557 -1.818 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.875 4.009 -4.225 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.244 3.254 -2.774 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.226 5.526 -3.813 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.217 5.151 -2.195 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.840 2.407 -0.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.655 3.664 0.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.121 1.540 1.336 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.448 2.119 1.755 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.648 4.758 -2.233 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.226 4.522 -2.420 1.00 0.00 C ATOM 1061 C ARG A 71 -3.820 3.194 -1.780 1.00 0.00 C ATOM 1062 O ARG A 71 -4.409 2.774 -0.785 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.395 5.651 -1.807 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.550 6.944 -2.611 1.00 0.00 C ATOM 1065 CD ARG A 71 -2.746 8.082 -1.978 1.00 0.00 C ATOM 1066 NE ARG A 71 -2.778 9.273 -2.856 1.00 0.00 N ATOM 1067 CZ ARG A 71 -1.993 9.438 -3.928 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -1.131 8.474 -4.282 1.00 0.00 N ATOM 1069 NH2 ARG A 71 -2.068 10.565 -4.648 1.00 0.00 N ATOM 0 H ARG A 71 -5.984 4.605 -1.282 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.034 4.486 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.708 5.819 -0.777 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.345 5.360 -1.778 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.214 6.782 -3.635 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.603 7.222 -2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.159 8.330 -1.000 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.715 7.765 -1.818 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.440 10.015 -2.630 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.073 7.615 -3.735 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.533 8.599 -5.099 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.724 11.299 -4.380 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.469 10.689 -5.464 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.815 2.568 -2.377 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.400 1.243 -1.951 1.00 0.00 C ATOM 1085 C GLU A 72 -0.985 1.291 -1.370 1.00 0.00 C ATOM 1086 O GLU A 72 -0.270 2.275 -1.550 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.485 0.244 -3.106 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.663 0.720 -4.305 1.00 0.00 C ATOM 1089 CD GLU A 72 -1.331 -0.444 -5.240 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -2.285 -1.159 -5.616 1.00 0.00 O ATOM 1091 OE2 GLU A 72 -0.132 -0.592 -5.559 1.00 0.00 O ATOM 0 H GLU A 72 -2.277 2.955 -3.152 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.081 0.904 -1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.123 -0.730 -2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.526 0.114 -3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.218 1.483 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.741 1.185 -3.956 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.623 0.215 -0.686 1.00 0.00 N ATOM 1099 CA ALA A 73 0.732 0.068 -0.185 1.00 0.00 C ATOM 1100 C ALA A 73 1.007 -1.409 0.105 1.00 0.00 C ATOM 1101 O ALA A 73 0.091 -2.161 0.435 1.00 0.00 O ATOM 1102 CB ALA A 73 0.917 0.949 1.053 1.00 0.00 C ATOM 0 H ALA A 73 -1.245 -0.563 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 73 1.455 0.398 -0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.934 0.839 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.739 1.991 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.210 0.645 1.825 1.00 0.00 H new ATOM 1108 N ASP A 74 2.271 -1.780 -0.029 1.00 0.00 N ATOM 1109 CA ASP A 74 2.663 -3.172 0.121 1.00 0.00 C ATOM 1110 C ASP A 74 2.493 -3.590 1.583 1.00 0.00 C ATOM 1111 O ASP A 74 2.683 -2.780 2.490 1.00 0.00 O ATOM 1112 CB ASP A 74 4.130 -3.375 -0.262 1.00 0.00 C ATOM 1113 CG ASP A 74 4.495 -2.933 -1.680 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.566 -2.505 -2.398 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.696 -3.032 -2.014 1.00 0.00 O ATOM 0 H ASP A 74 3.038 -1.141 -0.240 1.00 0.00 H new ATOM 0 HA ASP A 74 2.033 -3.773 -0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.754 -2.828 0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.376 -4.431 -0.152 1.00 0.00 H new ATOM 1120 N ILE A 75 2.139 -4.853 1.767 1.00 0.00 N ATOM 1121 CA ILE A 75 2.218 -5.469 3.080 1.00 0.00 C ATOM 1122 C ILE A 75 3.101 -6.716 3.002 1.00 0.00 C ATOM 1123 O ILE A 75 3.006 -7.489 2.049 1.00 0.00 O ATOM 1124 CB ILE A 75 0.816 -5.741 3.630 1.00 0.00 C ATOM 1125 CG1 ILE A 75 -0.018 -4.459 3.663 1.00 0.00 C ATOM 1126 CG2 ILE A 75 0.886 -6.415 5.002 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.487 -3.504 4.746 1.00 0.00 C ATOM 0 H ILE A 75 1.796 -5.467 1.028 1.00 0.00 H new ATOM 0 HA ILE A 75 2.688 -4.790 3.791 1.00 0.00 H new ATOM 0 HB ILE A 75 0.313 -6.435 2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.025 -3.968 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.063 -4.706 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.124 -6.597 5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.417 -7.363 4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.415 -5.766 5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.123 -2.601 4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.420 -3.990 5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.525 -3.240 4.543 1.00 0.00 H new ATOM 1139 N ASN A 76 3.939 -6.874 4.016 1.00 0.00 N ATOM 1140 CA ASN A 76 4.826 -8.023 4.081 1.00 0.00 C ATOM 1141 C ASN A 76 5.704 -8.056 2.829 1.00 0.00 C ATOM 1142 O ASN A 76 5.279 -8.541 1.782 1.00 0.00 O ATOM 1143 CB ASN A 76 4.032 -9.329 4.137 1.00 0.00 C ATOM 1144 CG ASN A 76 3.725 -9.724 5.583 1.00 0.00 C ATOM 1145 OD1 ASN A 76 3.148 -8.761 6.296 1.00 0.00 O flip ATOM 1146 ND2 ASN A 76 3.996 -10.829 6.023 1.00 0.00 N flip ATOM 0 H ASN A 76 4.022 -6.226 4.799 1.00 0.00 H new ATOM 0 HA ASN A 76 5.432 -7.931 4.982 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.101 -9.216 3.582 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.598 -10.124 3.652 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.439 -11.523 5.421 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.779 -11.059 6.993 1.00 0.00 H new ATOM 1266 N ALA A 84 1.607 -8.995 -3.634 1.00 0.00 N ATOM 1267 CA ALA A 84 0.280 -9.568 -3.776 1.00 0.00 C ATOM 1268 C ALA A 84 -0.620 -9.043 -2.656 1.00 0.00 C ATOM 1269 O ALA A 84 -1.777 -8.700 -2.894 1.00 0.00 O ATOM 1270 CB ALA A 84 0.381 -11.095 -3.776 1.00 0.00 C ATOM 0 HA ALA A 84 -0.167 -9.271 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.615 -11.525 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.007 -11.418 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.823 -11.430 -2.838 1.00 0.00 H new ATOM 1276 N ASP A 85 -0.055 -8.997 -1.459 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.793 -8.521 -0.301 1.00 0.00 C ATOM 1278 C ASP A 85 -0.654 -7.001 -0.203 1.00 0.00 C ATOM 1279 O ASP A 85 0.453 -6.469 -0.271 1.00 0.00 O ATOM 1280 CB ASP A 85 -0.243 -9.130 0.991 1.00 0.00 C ATOM 1281 CG ASP A 85 -0.442 -10.641 1.129 1.00 0.00 C ATOM 1282 OD1 ASP A 85 -0.171 -11.342 0.131 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.861 -11.060 2.230 1.00 0.00 O ATOM 0 H ASP A 85 0.905 -9.281 -1.266 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.836 -8.813 -0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.823 -8.912 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.719 -8.637 1.839 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.793 -6.343 -0.044 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.829 -4.891 -0.065 1.00 0.00 C ATOM 1290 C ARG A 86 -2.703 -4.364 1.075 1.00 0.00 C ATOM 1291 O ARG A 86 -3.622 -5.048 1.524 1.00 0.00 O ATOM 1292 CB ARG A 86 -2.374 -4.373 -1.398 1.00 0.00 C ATOM 1293 CG ARG A 86 -1.486 -4.814 -2.563 1.00 0.00 C ATOM 1294 CD ARG A 86 -2.034 -4.301 -3.895 1.00 0.00 C ATOM 1295 NE ARG A 86 -1.201 -4.802 -5.012 1.00 0.00 N ATOM 1296 CZ ARG A 86 -1.407 -5.968 -5.638 1.00 0.00 C ATOM 1297 NH1 ARG A 86 -2.248 -6.870 -5.115 1.00 0.00 N ATOM 1298 NH2 ARG A 86 -0.771 -6.232 -6.788 1.00 0.00 N ATOM 0 H ARG A 86 -2.699 -6.790 0.100 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.807 -4.533 0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.388 -4.743 -1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.433 -3.285 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.473 -4.440 -2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.424 -5.902 -2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.065 -4.629 -4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.044 -3.211 -3.898 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.422 -4.223 -5.324 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.732 -6.669 -4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.405 -7.758 -5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.131 -5.545 -7.186 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.927 -7.120 -7.265 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.385 -3.154 1.511 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.321 -2.374 2.302 1.00 0.00 C ATOM 1314 C LEU A 87 -3.797 -1.172 1.484 1.00 0.00 C ATOM 1315 O LEU A 87 -2.984 -0.385 1.002 1.00 0.00 O ATOM 1316 CB LEU A 87 -2.700 -1.995 3.648 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.634 -1.314 4.650 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -4.404 -2.350 5.472 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -2.865 -0.334 5.539 1.00 0.00 C ATOM 0 H LEU A 87 -1.492 -2.695 1.331 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.204 -2.967 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.302 -2.899 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.854 -1.333 3.462 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.369 -0.734 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.061 -1.840 6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.001 -2.973 4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.700 -2.976 6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.553 0.136 6.242 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.094 -0.871 6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.400 0.432 4.919 1.00 0.00 H new ATOM 1331 N VAL A 88 -5.111 -1.069 1.352 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.699 -0.092 0.451 1.00 0.00 C ATOM 1333 C VAL A 88 -6.675 0.791 1.230 1.00 0.00 C ATOM 1334 O VAL A 88 -7.671 0.302 1.761 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.351 -0.802 -0.737 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.731 0.197 -1.832 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.439 -1.900 -1.289 1.00 0.00 C ATOM 0 H VAL A 88 -5.786 -1.646 1.854 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.929 0.560 0.039 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.267 -1.275 -0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.192 -0.334 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.436 0.926 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.836 0.712 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.927 -2.388 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.498 -1.460 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.241 -2.635 -0.509 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.356 2.076 1.272 1.00 0.00 N ATOM 1348 CA TYR A 89 -7.036 2.986 2.178 1.00 0.00 C ATOM 1349 C TYR A 89 -7.519 4.236 1.439 1.00 0.00 C ATOM 1350 O TYR A 89 -6.954 4.612 0.414 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.996 3.396 3.223 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.711 3.976 2.628 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -4.629 5.324 2.344 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -3.634 3.151 2.375 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -3.420 5.870 1.784 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -2.425 3.697 1.814 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.378 5.029 1.547 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.236 5.545 1.018 1.00 0.00 O ATOM 0 H TYR A 89 -5.636 2.509 0.693 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.908 2.506 2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.439 4.133 3.892 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.743 2.526 3.830 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.472 5.970 2.542 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.698 2.096 2.598 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.343 6.923 1.557 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.575 3.063 1.610 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.134 6.476 1.305 1.00 0.00 H new ATOM 1368 N SER A 90 -8.559 4.845 1.990 1.00 0.00 N ATOM 1369 CA SER A 90 -9.239 5.932 1.306 1.00 0.00 C ATOM 1370 C SER A 90 -8.599 7.269 1.684 1.00 0.00 C ATOM 1371 O SER A 90 -7.642 7.307 2.457 1.00 0.00 O ATOM 1372 CB SER A 90 -10.732 5.945 1.639 1.00 0.00 C ATOM 1373 OG SER A 90 -10.984 6.473 2.938 1.00 0.00 O ATOM 0 H SER A 90 -8.947 4.606 2.902 1.00 0.00 H new ATOM 0 HA SER A 90 -9.136 5.778 0.232 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.264 6.540 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.126 4.931 1.577 1.00 0.00 H new ATOM 0 HG SER A 90 -11.751 7.081 2.901 1.00 0.00 H new ATOM 1379 N SER A 91 -9.152 8.333 1.121 1.00 0.00 N ATOM 1380 CA SER A 91 -8.639 9.668 1.380 1.00 0.00 C ATOM 1381 C SER A 91 -8.953 10.078 2.821 1.00 0.00 C ATOM 1382 O SER A 91 -8.144 10.735 3.473 1.00 0.00 O ATOM 1383 CB SER A 91 -9.227 10.684 0.399 1.00 0.00 C ATOM 1384 OG SER A 91 -8.884 10.383 -0.951 1.00 0.00 O ATOM 0 H SER A 91 -9.950 8.298 0.487 1.00 0.00 H new ATOM 0 HA SER A 91 -7.558 9.653 1.240 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.312 10.701 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.867 11.681 0.651 1.00 0.00 H new ATOM 0 HG SER A 91 -9.125 9.454 -1.151 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.131 9.674 3.274 1.00 0.00 N ATOM 1391 CA ASP A 92 -10.558 9.983 4.628 1.00 0.00 C ATOM 1392 C ASP A 92 -10.271 8.784 5.535 1.00 0.00 C ATOM 1393 O ASP A 92 -10.773 8.715 6.656 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.060 10.267 4.681 1.00 0.00 C ATOM 1395 CG ASP A 92 -12.947 9.165 4.099 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -12.609 7.984 4.328 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -13.944 9.529 3.438 1.00 0.00 O ATOM 0 H ASP A 92 -10.803 9.135 2.727 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.012 10.866 4.960 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.347 10.433 5.719 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.258 11.194 4.143 1.00 0.00 H new ATOM 1402 N TRP A 93 -9.466 7.869 5.015 1.00 0.00 N ATOM 1403 CA TRP A 93 -8.777 6.910 5.863 1.00 0.00 C ATOM 1404 C TRP A 93 -9.803 5.880 6.341 1.00 0.00 C ATOM 1405 O TRP A 93 -9.880 5.583 7.532 1.00 0.00 O ATOM 1406 CB TRP A 93 -8.056 7.615 7.014 1.00 0.00 C ATOM 1407 CG TRP A 93 -7.295 8.874 6.594 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -7.566 10.147 6.913 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -6.119 8.929 5.758 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -6.654 11.015 6.347 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -5.747 10.251 5.622 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -5.395 7.896 5.137 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -4.640 10.662 4.871 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -4.291 8.324 4.390 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -3.903 9.651 4.243 1.00 0.00 C ATOM 0 H TRP A 93 -9.275 7.771 4.018 1.00 0.00 H new ATOM 0 HA TRP A 93 -7.997 6.392 5.305 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.787 7.882 7.777 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.357 6.916 7.473 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.394 10.455 7.535 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -6.647 12.030 6.443 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -5.669 6.855 5.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.369 11.703 4.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -3.699 7.570 3.893 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.037 9.901 3.647 1.00 0.00 H new ATOM 1426 N LEU A 94 -10.564 5.364 5.388 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.237 4.090 5.575 1.00 0.00 C ATOM 1428 C LEU A 94 -10.362 2.968 5.014 1.00 0.00 C ATOM 1429 O LEU A 94 -10.004 2.985 3.837 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.643 4.133 4.973 1.00 0.00 C ATOM 1431 CG LEU A 94 -13.721 4.794 5.833 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -14.840 5.370 4.963 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.257 3.821 6.885 1.00 0.00 C ATOM 0 H LEU A 94 -10.730 5.805 4.483 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.376 3.885 6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.593 4.660 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -12.955 3.111 4.756 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.267 5.628 6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.593 5.834 5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.426 6.117 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.299 4.569 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -15.022 4.317 7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -14.690 2.952 6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -13.441 3.500 7.533 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.042 2.020 5.882 1.00 0.00 N ATOM 1446 CA ILE A 95 -8.901 1.150 5.654 1.00 0.00 C ATOM 1447 C ILE A 95 -9.395 -0.273 5.385 1.00 0.00 C ATOM 1448 O ILE A 95 -10.250 -0.784 6.106 1.00 0.00 O ATOM 1449 CB ILE A 95 -7.912 1.247 6.817 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -7.628 2.708 7.175 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.628 0.472 6.512 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -6.627 2.805 8.328 1.00 0.00 C ATOM 0 H ILE A 95 -10.553 1.835 6.745 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.350 1.469 4.769 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.368 0.783 7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.235 3.230 6.303 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.557 3.205 7.453 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.942 0.558 7.355 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.868 -0.578 6.344 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.158 0.884 5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.443 3.853 8.563 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.033 2.303 9.206 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.691 2.328 8.038 1.00 0.00 H new ATOM 1464 N TYR A 96 -8.834 -0.873 4.344 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.166 -2.246 4.005 1.00 0.00 C ATOM 1466 C TYR A 96 -7.923 -3.013 3.548 1.00 0.00 C ATOM 1467 O TYR A 96 -6.979 -2.419 3.029 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.157 -2.165 2.842 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.569 -1.745 3.256 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.878 -0.407 3.393 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.533 -2.704 3.492 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.207 -0.011 3.783 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.862 -2.308 3.881 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.133 -0.982 4.007 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.388 -0.608 4.375 1.00 0.00 O ATOM 0 H TYR A 96 -8.153 -0.433 3.725 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.578 -2.767 4.870 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.779 -1.456 2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.207 -3.138 2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.123 0.343 3.208 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.291 -3.751 3.385 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.462 1.032 3.895 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.626 -3.048 4.068 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.944 -1.406 4.500 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.964 -4.321 3.756 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.835 -5.169 3.415 1.00 0.00 C ATOM 1487 C LYS A 97 -7.253 -6.149 2.317 1.00 0.00 C ATOM 1488 O LYS A 97 -8.440 -6.412 2.134 1.00 0.00 O ATOM 1489 CB LYS A 97 -6.277 -5.848 4.667 1.00 0.00 C ATOM 1490 CG LYS A 97 -7.316 -6.781 5.293 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.666 -7.717 6.315 1.00 0.00 C ATOM 1492 CE LYS A 97 -6.035 -8.928 5.625 1.00 0.00 C ATOM 1493 NZ LYS A 97 -5.403 -9.821 6.622 1.00 0.00 N ATOM 0 H LYS A 97 -8.762 -4.814 4.157 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.016 -4.571 3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.382 -6.415 4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.978 -5.092 5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.094 -6.192 5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.800 -7.368 4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.904 -7.176 6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.414 -8.052 7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.796 -9.475 5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.290 -8.595 4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.683 -10.805 6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.368 -9.737 6.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.713 -9.549 7.577 1.00 0.00 H new ATOM 1507 N THR A 98 -6.253 -6.664 1.616 1.00 0.00 N ATOM 1508 CA THR A 98 -6.479 -7.751 0.678 1.00 0.00 C ATOM 1509 C THR A 98 -5.215 -8.601 0.532 1.00 0.00 C ATOM 1510 O THR A 98 -4.102 -8.086 0.632 1.00 0.00 O ATOM 1511 CB THR A 98 -6.958 -7.144 -0.642 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.998 -8.251 -1.539 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.926 -6.199 -1.261 1.00 0.00 C ATOM 0 H THR A 98 -5.285 -6.349 1.679 1.00 0.00 H new ATOM 0 HA THR A 98 -7.250 -8.431 1.039 1.00 0.00 H new ATOM 0 HB THR A 98 -7.890 -6.604 -0.476 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.927 -8.534 -1.668 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.316 -5.796 -2.196 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.721 -5.381 -0.570 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.004 -6.746 -1.459 1.00 0.00 H new ATOM 1521 N THR A 99 -5.430 -9.887 0.299 1.00 0.00 N ATOM 1522 CA THR A 99 -4.354 -10.756 -0.147 1.00 0.00 C ATOM 1523 C THR A 99 -4.717 -11.414 -1.479 1.00 0.00 C ATOM 1524 O THR A 99 -3.960 -12.232 -1.999 1.00 0.00 O ATOM 1525 CB THR A 99 -4.065 -11.762 0.969 1.00 0.00 C ATOM 1526 OG1 THR A 99 -5.112 -12.722 0.850 1.00 0.00 O ATOM 1527 CG2 THR A 99 -4.265 -11.163 2.363 1.00 0.00 C ATOM 0 H THR A 99 -6.333 -10.348 0.411 1.00 0.00 H new ATOM 0 HA THR A 99 -3.442 -10.190 -0.338 1.00 0.00 H new ATOM 0 HB THR A 99 -3.042 -12.126 0.874 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.001 -13.413 1.536 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.047 -11.918 3.118 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.594 -10.314 2.494 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.297 -10.829 2.471 1.00 0.00 H new ATOM 1535 N ASP A 100 -5.877 -11.032 -1.994 1.00 0.00 N ATOM 1536 CA ASP A 100 -6.533 -11.818 -3.026 1.00 0.00 C ATOM 1537 C ASP A 100 -6.597 -11.003 -4.319 1.00 0.00 C ATOM 1538 O ASP A 100 -7.554 -11.119 -5.083 1.00 0.00 O ATOM 1539 CB ASP A 100 -7.964 -12.175 -2.620 1.00 0.00 C ATOM 1540 CG ASP A 100 -8.788 -11.011 -2.066 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -8.779 -9.947 -2.721 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -9.409 -11.212 -1.000 1.00 0.00 O ATOM 0 H ASP A 100 -6.379 -10.189 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.959 -12.734 -3.168 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.480 -12.585 -3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.927 -12.964 -1.869 1.00 0.00 H new ATOM 1547 N HIS A 101 -5.567 -10.196 -4.524 1.00 0.00 N ATOM 1548 CA HIS A 101 -5.434 -9.451 -5.764 1.00 0.00 C ATOM 1549 C HIS A 101 -6.576 -8.439 -5.879 1.00 0.00 C ATOM 1550 O HIS A 101 -7.252 -8.374 -6.904 1.00 0.00 O ATOM 1551 CB HIS A 101 -5.361 -10.400 -6.962 1.00 0.00 C ATOM 1552 CG HIS A 101 -4.839 -9.756 -8.224 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -5.618 -9.584 -9.355 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -3.610 -9.244 -8.522 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -4.881 -8.995 -10.285 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -3.637 -8.786 -9.767 1.00 0.00 N ATOM 0 H HIS A 101 -4.816 -10.042 -3.851 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.498 -8.892 -5.759 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -4.721 -11.244 -6.705 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -6.356 -10.802 -7.156 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -2.759 -9.216 -7.857 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -5.208 -8.727 -11.279 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -2.856 -8.349 -10.256 1.00 0.00 H new ATOM 1564 N TYR A 102 -6.754 -7.673 -4.813 1.00 0.00 N ATOM 1565 CA TYR A 102 -7.900 -6.784 -4.713 1.00 0.00 C ATOM 1566 C TYR A 102 -9.093 -7.339 -5.493 1.00 0.00 C ATOM 1567 O TYR A 102 -9.612 -6.679 -6.392 1.00 0.00 O ATOM 1568 CB TYR A 102 -7.463 -5.461 -5.344 1.00 0.00 C ATOM 1569 CG TYR A 102 -6.688 -5.622 -6.654 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -5.331 -5.872 -6.626 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -7.346 -5.516 -7.862 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -4.602 -6.024 -7.859 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -6.617 -5.667 -9.095 1.00 0.00 C ATOM 1574 CZ TYR A 102 -5.281 -5.914 -9.032 1.00 0.00 C ATOM 1575 OH TYR A 102 -4.592 -6.057 -10.196 1.00 0.00 O ATOM 0 H TYR A 102 -6.124 -7.649 -4.011 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.208 -6.669 -3.674 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -8.346 -4.849 -5.529 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.843 -4.918 -4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.816 -5.954 -5.680 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.408 -5.320 -7.883 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.540 -6.221 -7.852 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.120 -5.586 -10.047 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.874 -6.713 -10.073 1.00 0.00 H new ATOM 1585 N ALA A 103 -9.494 -8.546 -5.121 1.00 0.00 N ATOM 1586 CA ALA A 103 -10.760 -9.089 -5.581 1.00 0.00 C ATOM 1587 C ALA A 103 -11.834 -8.838 -4.520 1.00 0.00 C ATOM 1588 O ALA A 103 -12.931 -8.382 -4.838 1.00 0.00 O ATOM 1589 CB ALA A 103 -10.592 -10.576 -5.901 1.00 0.00 C ATOM 0 H ALA A 103 -8.964 -9.163 -4.506 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.080 -8.593 -6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.542 -10.983 -6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.840 -10.698 -6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.274 -11.107 -5.004 1.00 0.00 H new ATOM 1595 N THR A 104 -11.480 -9.148 -3.282 1.00 0.00 N ATOM 1596 CA THR A 104 -12.315 -8.780 -2.151 1.00 0.00 C ATOM 1597 C THR A 104 -11.481 -8.075 -1.079 1.00 0.00 C ATOM 1598 O THR A 104 -10.253 -8.087 -1.135 1.00 0.00 O ATOM 1599 CB THR A 104 -13.009 -10.047 -1.645 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.969 -11.020 -1.603 1.00 0.00 O ATOM 1601 CG2 THR A 104 -14.007 -10.611 -2.658 1.00 0.00 C ATOM 0 H THR A 104 -10.626 -9.650 -3.037 1.00 0.00 H new ATOM 0 HA THR A 104 -13.084 -8.064 -2.443 1.00 0.00 H new ATOM 0 HB THR A 104 -13.525 -9.830 -0.710 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.165 -10.622 -1.209 1.00 0.00 H new ATOM 0 HG21 THR A 104 -14.471 -11.509 -2.250 1.00 0.00 H new ATOM 0 HG22 THR A 104 -14.776 -9.867 -2.864 1.00 0.00 H new ATOM 0 HG23 THR A 104 -13.486 -10.860 -3.582 1.00 0.00 H new ATOM 1609 N PHE A 105 -12.183 -7.478 -0.127 1.00 0.00 N ATOM 1610 CA PHE A 105 -11.526 -6.708 0.916 1.00 0.00 C ATOM 1611 C PHE A 105 -12.194 -6.940 2.272 1.00 0.00 C ATOM 1612 O PHE A 105 -13.324 -7.423 2.338 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.667 -5.232 0.537 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.727 -4.785 -0.584 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -9.483 -4.324 -0.285 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -11.136 -4.848 -1.880 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -8.611 -3.908 -1.326 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -10.264 -4.433 -2.920 1.00 0.00 C ATOM 1619 CZ PHE A 105 -9.019 -3.972 -2.621 1.00 0.00 C ATOM 0 H PHE A 105 -13.200 -7.512 -0.056 1.00 0.00 H new ATOM 0 HA PHE A 105 -10.482 -7.009 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.696 -5.043 0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.479 -4.621 1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.158 -4.274 0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -12.124 -5.214 -2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.624 -3.541 -1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -10.589 -4.483 -3.949 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.355 -3.657 -3.413 1.00 0.00 H new ATOM 1629 N THR A 106 -11.468 -6.586 3.322 1.00 0.00 N ATOM 1630 CA THR A 106 -12.049 -6.539 4.653 1.00 0.00 C ATOM 1631 C THR A 106 -11.504 -5.339 5.431 1.00 0.00 C ATOM 1632 O THR A 106 -10.315 -5.034 5.355 1.00 0.00 O ATOM 1633 CB THR A 106 -11.777 -7.880 5.336 1.00 0.00 C ATOM 1634 OG1 THR A 106 -12.309 -8.844 4.431 1.00 0.00 O ATOM 1635 CG2 THR A 106 -12.604 -8.068 6.609 1.00 0.00 C ATOM 0 H THR A 106 -10.482 -6.329 3.278 1.00 0.00 H new ATOM 0 HA THR A 106 -13.128 -6.394 4.608 1.00 0.00 H new ATOM 0 HB THR A 106 -10.717 -7.955 5.578 1.00 0.00 H new ATOM 0 HG1 THR A 106 -12.174 -9.744 4.795 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.372 -9.036 7.054 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.365 -7.276 7.319 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.665 -8.026 6.363 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.400 -4.692 6.161 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.022 -3.535 6.955 1.00 0.00 C ATOM 1645 C ARG A 107 -11.133 -3.960 8.125 1.00 0.00 C ATOM 1646 O ARG A 107 -11.403 -4.964 8.782 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.257 -2.814 7.499 1.00 0.00 C ATOM 1648 CG ARG A 107 -12.941 -1.351 7.820 1.00 0.00 C ATOM 1649 CD ARG A 107 -14.180 -0.627 8.352 1.00 0.00 C ATOM 1650 NE ARG A 107 -15.101 -0.314 7.237 1.00 0.00 N ATOM 1651 CZ ARG A 107 -16.124 0.547 7.326 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -16.486 1.036 8.520 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -16.784 0.920 6.221 1.00 0.00 N ATOM 0 H ARG A 107 -13.386 -4.946 6.220 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.472 -2.853 6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.063 -2.864 6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -13.611 -3.319 8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.141 -1.302 8.559 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.578 -0.848 6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -14.687 -1.250 9.089 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -13.885 0.291 8.859 1.00 0.00 H new ATOM 0 HE ARG A 107 -14.948 -0.783 6.344 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -15.983 0.753 9.361 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.265 1.691 8.588 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -16.508 0.549 5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.563 1.575 6.289 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.089 -3.176 8.349 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.154 -3.462 9.424 1.00 0.00 C ATOM 1669 C ILE A 108 -9.536 -2.642 10.658 1.00 0.00 C ATOM 1670 O ILE A 108 -9.498 -3.146 11.779 1.00 0.00 O ATOM 1671 CB ILE A 108 -7.715 -3.237 8.957 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.223 -1.842 9.350 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -7.580 -3.491 7.454 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -6.955 -1.759 10.854 1.00 0.00 C ATOM 0 H ILE A 108 -9.870 -2.342 7.804 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.211 -4.513 9.709 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.074 -3.959 9.464 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.311 -1.606 8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.967 -1.097 9.068 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.547 -3.324 7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.862 -4.520 7.232 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.234 -2.810 6.910 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.607 -0.758 11.107 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.874 -1.972 11.400 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.193 -2.488 11.129 1.00 0.00 H new ATOM 1686 N ARG A 109 -9.896 -1.391 10.410 1.00 0.00 N ATOM 1687 CA ARG A 109 -10.381 -0.527 11.472 1.00 0.00 C ATOM 1688 C ARG A 109 -11.888 -0.711 11.660 1.00 0.00 C ATOM 1689 O ARG A 109 -12.459 0.064 12.457 1.00 0.00 O ATOM 1690 CB ARG A 109 -10.088 0.943 11.163 1.00 0.00 C ATOM 1691 CG ARG A 109 -10.948 1.441 10.000 1.00 0.00 C ATOM 1692 CD ARG A 109 -10.764 2.945 9.787 1.00 0.00 C ATOM 1693 NE ARG A 109 -11.336 3.692 10.929 1.00 0.00 N ATOM 1694 CZ ARG A 109 -11.146 5.001 11.142 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -10.510 5.743 10.225 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -11.591 5.568 12.271 1.00 0.00 N ATOM 0 H ARG A 109 -9.861 -0.955 9.488 1.00 0.00 H new ATOM 0 HA ARG A 109 -9.861 -0.805 12.389 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.280 1.550 12.048 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.033 1.063 10.917 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.680 0.906 9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -11.997 1.224 10.200 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.704 3.179 9.683 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.250 3.252 8.861 1.00 0.00 H new ATOM 0 HE ARG A 109 -11.911 3.178 11.596 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.171 5.311 9.365 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -10.365 6.740 10.387 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.075 5.003 12.969 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.446 6.565 12.433 1.00 0.00 H new