USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 590 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 20 LYS NZ :NH3+ -118:sc= 0.257 (180deg=-0.629) USER MOD Set 1.2: A 53 TYR OH : rot 58:sc= 1.11 USER MOD Set 2.1: A 35 ASN : amide:sc= -2 K(o=-2.1,f=-3.5!) USER MOD Set 2.2: A 39 LYS NZ :NH3+ -162:sc= -0.0985 (180deg=-0.456) USER MOD Set 3.1: A 26 LYS NZ :NH3+ 174:sc= -0.194 (180deg=-1.05) USER MOD Set 3.2: A 29 GLN : amide:sc= -1.67! C(o=-1.9!,f=-15!) USER MOD Set 4.1: A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0902) USER MOD Set 4.2: A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.125 (180deg=-0.629) USER MOD Single : A 3 SER OG : rot -29:sc= 0.0854 USER MOD Single : A 4 TYR OH : rot 145:sc= -0.566 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -111:sc= 0.915 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -39:sc= 0.505 USER MOD Single : A 31 HIS : no HE2:sc= -1.47! C(o=-1.5!,f=-9.2!) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= -0.031 (180deg=-0.196) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 179:sc= 1.17 (180deg=1.14) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HE2:sc= 1.26 K(o=1.3,f=-5!) USER MOD Single : A 61 LYS NZ :NH3+ -108:sc= 1.09 (180deg=-0.894!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.396 3.437 13.608 1.00 0.00 N ATOM 2 CA MET A 1 -10.438 2.580 12.998 1.00 0.00 C ATOM 3 C MET A 1 -10.224 2.449 11.499 1.00 0.00 C ATOM 4 O MET A 1 -10.383 1.365 10.941 1.00 0.00 O ATOM 5 CB MET A 1 -11.831 3.152 13.268 1.00 0.00 C ATOM 6 CG MET A 1 -12.277 3.037 14.716 1.00 0.00 C ATOM 7 SD MET A 1 -12.487 1.325 15.242 1.00 0.00 S ATOM 8 CE MET A 1 -13.855 0.818 14.199 1.00 0.00 C ATOM 0 H1 MET A 1 -9.492 3.416 14.643 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.455 3.084 13.340 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.508 4.414 13.270 1.00 0.00 H new ATOM 0 HA MET A 1 -10.363 1.592 13.452 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.844 4.202 12.977 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.553 2.637 12.634 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.543 3.523 15.358 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.218 3.571 14.846 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.322 -0.073 14.619 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.589 1.622 14.145 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.486 0.596 13.198 1.00 0.00 H new ATOM 20 N ALA A 2 -9.865 3.554 10.844 1.00 0.00 N ATOM 21 CA ALA A 2 -9.651 3.545 9.400 1.00 0.00 C ATOM 22 C ALA A 2 -8.460 2.670 9.021 1.00 0.00 C ATOM 23 O ALA A 2 -8.533 1.887 8.077 1.00 0.00 O ATOM 24 CB ALA A 2 -9.466 4.961 8.872 1.00 0.00 C ATOM 0 H ALA A 2 -9.718 4.460 11.289 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.540 3.118 8.936 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.308 4.930 7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.356 5.550 9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.601 5.418 9.352 1.00 0.00 H new ATOM 30 N SER A 3 -7.359 2.837 9.758 1.00 0.00 N ATOM 31 CA SER A 3 -6.171 1.982 9.645 1.00 0.00 C ATOM 32 C SER A 3 -5.424 2.159 8.313 1.00 0.00 C ATOM 33 O SER A 3 -4.280 1.731 8.184 1.00 0.00 O ATOM 34 CB SER A 3 -6.561 0.510 9.855 1.00 0.00 C ATOM 35 OG SER A 3 -5.420 -0.328 9.946 1.00 0.00 O ATOM 0 H SER A 3 -7.265 3.575 10.456 1.00 0.00 H new ATOM 0 HA SER A 3 -5.479 2.294 10.428 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.154 0.417 10.765 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.190 0.179 9.029 1.00 0.00 H new ATOM 0 HG SER A 3 -4.685 0.062 9.428 1.00 0.00 H new ATOM 41 N TYR A 4 -6.050 2.802 7.333 1.00 0.00 N ATOM 42 CA TYR A 4 -5.442 2.959 6.012 1.00 0.00 C ATOM 43 C TYR A 4 -4.156 3.775 6.087 1.00 0.00 C ATOM 44 O TYR A 4 -3.183 3.484 5.394 1.00 0.00 O ATOM 45 CB TYR A 4 -6.458 3.590 5.046 1.00 0.00 C ATOM 46 CG TYR A 4 -6.028 4.886 4.382 1.00 0.00 C ATOM 47 CD1 TYR A 4 -5.070 4.902 3.373 1.00 0.00 C ATOM 48 CD2 TYR A 4 -6.603 6.093 4.757 1.00 0.00 C ATOM 49 CE1 TYR A 4 -4.701 6.084 2.763 1.00 0.00 C ATOM 50 CE2 TYR A 4 -6.235 7.276 4.152 1.00 0.00 C ATOM 51 CZ TYR A 4 -5.285 7.266 3.156 1.00 0.00 C ATOM 52 OH TYR A 4 -4.925 8.442 2.547 1.00 0.00 O ATOM 0 H TYR A 4 -6.975 3.222 7.425 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.168 1.975 5.632 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.687 2.864 4.266 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -7.383 3.774 5.592 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -4.608 3.976 3.063 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.351 6.105 5.536 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.957 6.081 1.980 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.690 8.206 4.458 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.706 9.030 2.483 1.00 0.00 H new ATOM 62 N TYR A 5 -4.151 4.787 6.931 1.00 0.00 N ATOM 63 CA TYR A 5 -2.938 5.562 7.164 1.00 0.00 C ATOM 64 C TYR A 5 -1.827 4.683 7.734 1.00 0.00 C ATOM 65 O TYR A 5 -0.649 4.917 7.476 1.00 0.00 O ATOM 66 CB TYR A 5 -3.217 6.756 8.081 1.00 0.00 C ATOM 67 CG TYR A 5 -4.213 6.473 9.181 1.00 0.00 C ATOM 68 CD1 TYR A 5 -3.818 5.892 10.379 1.00 0.00 C ATOM 69 CD2 TYR A 5 -5.554 6.794 9.019 1.00 0.00 C ATOM 70 CE1 TYR A 5 -4.732 5.635 11.380 1.00 0.00 C ATOM 71 CE2 TYR A 5 -6.472 6.542 10.015 1.00 0.00 C ATOM 72 CZ TYR A 5 -6.057 5.964 11.192 1.00 0.00 C ATOM 73 OH TYR A 5 -6.975 5.714 12.185 1.00 0.00 O ATOM 0 H TYR A 5 -4.964 5.094 7.466 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.599 5.949 6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.279 7.081 8.531 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.586 7.585 7.477 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.779 5.637 10.529 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.883 7.249 8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.411 5.179 12.305 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.512 6.797 9.872 1.00 0.00 H new ATOM 0 HH TYR A 5 -7.863 6.007 11.891 1.00 0.00 H new ATOM 83 N GLU A 6 -2.207 3.677 8.514 1.00 0.00 N ATOM 84 CA GLU A 6 -1.245 2.735 9.069 1.00 0.00 C ATOM 85 C GLU A 6 -0.732 1.778 7.996 1.00 0.00 C ATOM 86 O GLU A 6 0.469 1.517 7.902 1.00 0.00 O ATOM 87 CB GLU A 6 -1.888 1.931 10.198 1.00 0.00 C ATOM 88 CG GLU A 6 -2.263 2.766 11.403 1.00 0.00 C ATOM 89 CD GLU A 6 -1.054 3.254 12.167 1.00 0.00 C ATOM 90 OE1 GLU A 6 -0.488 2.473 12.959 1.00 0.00 O ATOM 91 OE2 GLU A 6 -0.667 4.426 11.986 1.00 0.00 O ATOM 0 H GLU A 6 -3.176 3.494 8.776 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.403 3.307 9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.782 1.437 9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.199 1.146 10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.854 3.623 11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.895 2.177 12.067 1.00 0.00 H new ATOM 98 N ILE A 7 -1.653 1.255 7.190 1.00 0.00 N ATOM 99 CA ILE A 7 -1.310 0.269 6.174 1.00 0.00 C ATOM 100 C ILE A 7 -0.536 0.893 5.017 1.00 0.00 C ATOM 101 O ILE A 7 0.294 0.235 4.391 1.00 0.00 O ATOM 102 CB ILE A 7 -2.566 -0.490 5.653 1.00 0.00 C ATOM 103 CG1 ILE A 7 -3.570 0.440 4.963 1.00 0.00 C ATOM 104 CG2 ILE A 7 -3.255 -1.209 6.801 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.354 0.602 3.474 1.00 0.00 C ATOM 0 H ILE A 7 -2.643 1.499 7.223 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.659 -0.460 6.656 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.216 -1.209 4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.576 0.057 5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.520 1.422 5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.132 -1.737 6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.565 -1.924 7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.563 -0.482 7.553 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.108 1.276 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.362 1.016 3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.436 -0.370 2.987 1.00 0.00 H new ATOM 117 N LEU A 8 -0.807 2.160 4.727 1.00 0.00 N ATOM 118 CA LEU A 8 -0.138 2.833 3.628 1.00 0.00 C ATOM 119 C LEU A 8 1.009 3.706 4.125 1.00 0.00 C ATOM 120 O LEU A 8 2.155 3.249 4.203 1.00 0.00 O ATOM 121 CB LEU A 8 -1.131 3.667 2.814 1.00 0.00 C ATOM 122 CG LEU A 8 -0.529 4.424 1.628 1.00 0.00 C ATOM 123 CD1 LEU A 8 0.066 3.459 0.616 1.00 0.00 C ATOM 124 CD2 LEU A 8 -1.579 5.303 0.975 1.00 0.00 C ATOM 0 H LEU A 8 -1.480 2.735 5.234 1.00 0.00 H new ATOM 0 HA LEU A 8 0.282 2.064 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.916 3.008 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.608 4.387 3.480 1.00 0.00 H new ATOM 0 HG LEU A 8 0.274 5.061 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.488 4.020 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.851 2.871 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.713 2.792 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.136 5.835 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.402 4.683 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.954 6.023 1.702 1.00 0.00 H new ATOM 136 N ASP A 9 0.690 4.949 4.484 1.00 0.00 N ATOM 137 CA ASP A 9 1.708 5.926 4.864 1.00 0.00 C ATOM 138 C ASP A 9 1.074 7.277 5.176 1.00 0.00 C ATOM 139 O ASP A 9 1.540 8.011 6.049 1.00 0.00 O ATOM 140 CB ASP A 9 2.734 6.094 3.734 1.00 0.00 C ATOM 141 CG ASP A 9 3.921 6.932 4.148 1.00 0.00 C ATOM 142 OD1 ASP A 9 4.798 6.403 4.859 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.991 8.116 3.762 1.00 0.00 O ATOM 0 H ASP A 9 -0.266 5.303 4.519 1.00 0.00 H new ATOM 0 HA ASP A 9 2.210 5.557 5.758 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.081 5.111 3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.250 6.556 2.874 1.00 0.00 H new ATOM 148 N VAL A 10 -0.003 7.590 4.471 1.00 0.00 N ATOM 149 CA VAL A 10 -0.639 8.900 4.586 1.00 0.00 C ATOM 150 C VAL A 10 -2.096 8.776 5.033 1.00 0.00 C ATOM 151 O VAL A 10 -2.715 7.723 4.866 1.00 0.00 O ATOM 152 CB VAL A 10 -0.580 9.671 3.248 1.00 0.00 C ATOM 153 CG1 VAL A 10 0.863 9.968 2.868 1.00 0.00 C ATOM 154 CG2 VAL A 10 -1.284 8.902 2.138 1.00 0.00 C ATOM 0 H VAL A 10 -0.457 6.957 3.813 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.084 9.455 5.342 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.104 10.617 3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.886 10.511 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.327 10.574 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.411 9.032 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.226 9.469 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.801 7.934 2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.330 8.751 2.406 1.00 0.00 H new ATOM 164 N PRO A 11 -2.645 9.846 5.635 1.00 0.00 N ATOM 165 CA PRO A 11 -4.029 9.890 6.092 1.00 0.00 C ATOM 166 C PRO A 11 -4.981 10.478 5.048 1.00 0.00 C ATOM 167 O PRO A 11 -4.563 10.980 4.004 1.00 0.00 O ATOM 168 CB PRO A 11 -3.929 10.810 7.303 1.00 0.00 C ATOM 169 CG PRO A 11 -2.847 11.782 6.957 1.00 0.00 C ATOM 170 CD PRO A 11 -1.946 11.107 5.946 1.00 0.00 C ATOM 0 HA PRO A 11 -4.435 8.900 6.300 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.874 11.320 7.491 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.684 10.250 8.206 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.270 12.698 6.544 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.284 12.064 7.847 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.814 11.721 5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.953 10.923 6.356 1.00 0.00 H new ATOM 178 N ARG A 12 -6.273 10.430 5.381 1.00 0.00 N ATOM 179 CA ARG A 12 -7.369 10.718 4.445 1.00 0.00 C ATOM 180 C ARG A 12 -7.291 12.103 3.812 1.00 0.00 C ATOM 181 O ARG A 12 -7.886 12.336 2.759 1.00 0.00 O ATOM 182 CB ARG A 12 -8.724 10.583 5.142 1.00 0.00 C ATOM 183 CG ARG A 12 -8.871 11.444 6.390 1.00 0.00 C ATOM 184 CD ARG A 12 -8.338 10.741 7.627 1.00 0.00 C ATOM 185 NE ARG A 12 -8.241 11.642 8.773 1.00 0.00 N ATOM 186 CZ ARG A 12 -9.098 11.649 9.791 1.00 0.00 C ATOM 187 NH1 ARG A 12 -10.167 10.865 9.774 1.00 0.00 N ATOM 188 NH2 ARG A 12 -8.893 12.461 10.819 1.00 0.00 N ATOM 0 H ARG A 12 -6.594 10.188 6.318 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.264 9.983 3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.511 10.848 4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.878 9.539 5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.338 12.384 6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.922 11.693 6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.991 9.905 7.878 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.355 10.323 7.411 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.468 12.307 8.794 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.337 10.251 8.977 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.820 10.876 10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.081 13.078 10.828 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.548 12.469 11.601 1.00 0.00 H new ATOM 202 N SER A 13 -6.594 13.015 4.469 1.00 0.00 N ATOM 203 CA SER A 13 -6.442 14.381 3.975 1.00 0.00 C ATOM 204 C SER A 13 -5.792 14.397 2.585 1.00 0.00 C ATOM 205 O SER A 13 -5.980 15.335 1.809 1.00 0.00 O ATOM 206 CB SER A 13 -5.603 15.196 4.963 1.00 0.00 C ATOM 207 OG SER A 13 -5.801 16.590 4.793 1.00 0.00 O ATOM 0 H SER A 13 -6.119 12.835 5.354 1.00 0.00 H new ATOM 0 HA SER A 13 -7.432 14.829 3.886 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.864 14.913 5.983 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.548 14.959 4.827 1.00 0.00 H new ATOM 0 HG SER A 13 -5.252 17.080 5.440 1.00 0.00 H new ATOM 213 N ALA A 14 -5.047 13.344 2.273 1.00 0.00 N ATOM 214 CA ALA A 14 -4.351 13.236 1.000 1.00 0.00 C ATOM 215 C ALA A 14 -5.294 12.816 -0.126 1.00 0.00 C ATOM 216 O ALA A 14 -6.220 12.023 0.078 1.00 0.00 O ATOM 217 CB ALA A 14 -3.219 12.232 1.122 1.00 0.00 C ATOM 0 H ALA A 14 -4.909 12.545 2.893 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.952 14.219 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.699 12.152 0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.520 12.563 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.624 11.258 1.397 1.00 0.00 H new ATOM 223 N SER A 15 -5.052 13.368 -1.307 1.00 0.00 N ATOM 224 CA SER A 15 -5.759 12.969 -2.512 1.00 0.00 C ATOM 225 C SER A 15 -5.176 11.665 -3.040 1.00 0.00 C ATOM 226 O SER A 15 -4.080 11.276 -2.633 1.00 0.00 O ATOM 227 CB SER A 15 -5.657 14.078 -3.571 1.00 0.00 C ATOM 228 OG SER A 15 -6.286 13.711 -4.789 1.00 0.00 O ATOM 0 H SER A 15 -4.361 14.104 -1.455 1.00 0.00 H new ATOM 0 HA SER A 15 -6.812 12.811 -2.280 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.115 14.989 -3.187 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.607 14.304 -3.759 1.00 0.00 H new ATOM 0 HG SER A 15 -5.606 13.583 -5.483 1.00 0.00 H new ATOM 234 N ALA A 16 -5.887 10.999 -3.937 1.00 0.00 N ATOM 235 CA ALA A 16 -5.454 9.702 -4.464 1.00 0.00 C ATOM 236 C ALA A 16 -4.018 9.763 -4.991 1.00 0.00 C ATOM 237 O ALA A 16 -3.249 8.808 -4.860 1.00 0.00 O ATOM 238 CB ALA A 16 -6.401 9.234 -5.557 1.00 0.00 C ATOM 0 H ALA A 16 -6.771 11.333 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.477 8.984 -3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.067 8.269 -5.939 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.407 9.134 -5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.409 9.962 -6.368 1.00 0.00 H new ATOM 244 N ASP A 17 -3.659 10.909 -5.553 1.00 0.00 N ATOM 245 CA ASP A 17 -2.318 11.133 -6.086 1.00 0.00 C ATOM 246 C ASP A 17 -1.272 11.029 -4.982 1.00 0.00 C ATOM 247 O ASP A 17 -0.211 10.428 -5.166 1.00 0.00 O ATOM 248 CB ASP A 17 -2.232 12.515 -6.718 1.00 0.00 C ATOM 249 CG ASP A 17 -3.465 12.861 -7.531 1.00 0.00 C ATOM 250 OD1 ASP A 17 -4.477 13.290 -6.929 1.00 0.00 O ATOM 251 OD2 ASP A 17 -3.432 12.702 -8.769 1.00 0.00 O ATOM 0 H ASP A 17 -4.285 11.708 -5.653 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.122 10.368 -6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.096 13.261 -5.935 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.352 12.563 -7.360 1.00 0.00 H new ATOM 256 N ASP A 18 -1.583 11.616 -3.831 1.00 0.00 N ATOM 257 CA ASP A 18 -0.675 11.601 -2.689 1.00 0.00 C ATOM 258 C ASP A 18 -0.579 10.193 -2.126 1.00 0.00 C ATOM 259 O ASP A 18 0.483 9.756 -1.698 1.00 0.00 O ATOM 260 CB ASP A 18 -1.145 12.568 -1.603 1.00 0.00 C ATOM 261 CG ASP A 18 -0.055 12.880 -0.595 1.00 0.00 C ATOM 262 OD1 ASP A 18 0.797 13.745 -0.890 1.00 0.00 O ATOM 263 OD2 ASP A 18 -0.040 12.272 0.493 1.00 0.00 O ATOM 0 H ASP A 18 -2.460 12.110 -3.664 1.00 0.00 H new ATOM 0 HA ASP A 18 0.310 11.923 -3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.483 13.495 -2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.003 12.139 -1.085 1.00 0.00 H new ATOM 268 N ILE A 19 -1.701 9.484 -2.145 1.00 0.00 N ATOM 269 CA ILE A 19 -1.723 8.066 -1.788 1.00 0.00 C ATOM 270 C ILE A 19 -0.797 7.281 -2.712 1.00 0.00 C ATOM 271 O ILE A 19 -0.018 6.434 -2.264 1.00 0.00 O ATOM 272 CB ILE A 19 -3.161 7.482 -1.864 1.00 0.00 C ATOM 273 CG1 ILE A 19 -3.930 7.778 -0.580 1.00 0.00 C ATOM 274 CG2 ILE A 19 -3.160 5.986 -2.148 1.00 0.00 C ATOM 275 CD1 ILE A 19 -4.479 9.178 -0.529 1.00 0.00 C ATOM 0 H ILE A 19 -2.611 9.866 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.376 7.975 -0.759 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.662 7.972 -2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.752 7.068 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.272 7.621 0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.187 5.623 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.667 5.797 -3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.625 5.465 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.015 9.325 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.659 9.893 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.162 9.332 -1.365 1.00 0.00 H new ATOM 287 N LYS A 20 -0.870 7.589 -4.001 1.00 0.00 N ATOM 288 CA LYS A 20 -0.021 6.947 -4.986 1.00 0.00 C ATOM 289 C LYS A 20 1.442 7.313 -4.735 1.00 0.00 C ATOM 290 O LYS A 20 2.337 6.484 -4.893 1.00 0.00 O ATOM 291 CB LYS A 20 -0.450 7.355 -6.400 1.00 0.00 C ATOM 292 CG LYS A 20 0.216 6.549 -7.506 1.00 0.00 C ATOM 293 CD LYS A 20 -0.312 6.945 -8.880 1.00 0.00 C ATOM 294 CE LYS A 20 -1.801 6.654 -9.017 1.00 0.00 C ATOM 295 NZ LYS A 20 -2.095 5.199 -8.947 1.00 0.00 N ATOM 0 H LYS A 20 -1.512 8.282 -4.386 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.126 5.866 -4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.531 7.246 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.223 8.411 -6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.295 6.703 -7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.040 5.486 -7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.132 8.007 -9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.237 6.404 -9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.345 7.172 -8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.162 7.051 -9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.522 4.888 -9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.212 4.674 -8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.757 5.016 -8.166 1.00 0.00 H new ATOM 309 N LYS A 21 1.688 8.559 -4.340 1.00 0.00 N ATOM 310 CA LYS A 21 3.038 8.979 -3.979 1.00 0.00 C ATOM 311 C LYS A 21 3.489 8.337 -2.662 1.00 0.00 C ATOM 312 O LYS A 21 4.657 8.008 -2.507 1.00 0.00 O ATOM 313 CB LYS A 21 3.152 10.509 -3.910 1.00 0.00 C ATOM 314 CG LYS A 21 4.518 11.003 -3.433 1.00 0.00 C ATOM 315 CD LYS A 21 5.669 10.313 -4.164 1.00 0.00 C ATOM 316 CE LYS A 21 5.812 10.776 -5.602 1.00 0.00 C ATOM 317 NZ LYS A 21 6.585 12.041 -5.701 1.00 0.00 N ATOM 0 H LYS A 21 0.979 9.288 -4.262 1.00 0.00 H new ATOM 0 HA LYS A 21 3.706 8.631 -4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.950 10.924 -4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.383 10.892 -3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.587 12.080 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.612 10.826 -2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.600 10.505 -3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.510 9.235 -4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.308 10.001 -6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.823 10.919 -6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.661 12.324 -6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.099 12.788 -5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.537 11.897 -5.309 1.00 0.00 H new ATOM 331 N ALA A 22 2.574 8.152 -1.723 1.00 0.00 N ATOM 332 CA ALA A 22 2.903 7.501 -0.455 1.00 0.00 C ATOM 333 C ALA A 22 3.423 6.086 -0.693 1.00 0.00 C ATOM 334 O ALA A 22 4.390 5.647 -0.069 1.00 0.00 O ATOM 335 CB ALA A 22 1.689 7.473 0.453 1.00 0.00 C ATOM 0 H ALA A 22 1.600 8.441 -1.810 1.00 0.00 H new ATOM 0 HA ALA A 22 3.690 8.076 0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.949 6.986 1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.360 8.493 0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.884 6.920 -0.032 1.00 0.00 H new ATOM 341 N TYR A 23 2.774 5.384 -1.605 1.00 0.00 N ATOM 342 CA TYR A 23 3.226 4.071 -2.039 1.00 0.00 C ATOM 343 C TYR A 23 4.580 4.179 -2.745 1.00 0.00 C ATOM 344 O TYR A 23 5.470 3.358 -2.530 1.00 0.00 O ATOM 345 CB TYR A 23 2.154 3.436 -2.939 1.00 0.00 C ATOM 346 CG TYR A 23 2.671 2.682 -4.151 1.00 0.00 C ATOM 347 CD1 TYR A 23 3.063 1.352 -4.061 1.00 0.00 C ATOM 348 CD2 TYR A 23 2.739 3.302 -5.393 1.00 0.00 C ATOM 349 CE1 TYR A 23 3.512 0.664 -5.174 1.00 0.00 C ATOM 350 CE2 TYR A 23 3.182 2.620 -6.509 1.00 0.00 C ATOM 351 CZ TYR A 23 3.568 1.302 -6.395 1.00 0.00 C ATOM 352 OH TYR A 23 4.002 0.621 -7.511 1.00 0.00 O ATOM 0 H TYR A 23 1.922 5.705 -2.065 1.00 0.00 H new ATOM 0 HA TYR A 23 3.369 3.424 -1.174 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.559 2.751 -2.335 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.483 4.223 -3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.016 0.847 -3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.440 4.336 -5.487 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.817 -0.368 -5.087 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.226 3.117 -7.467 1.00 0.00 H new ATOM 0 HH TYR A 23 4.745 0.031 -7.266 1.00 0.00 H new ATOM 362 N ARG A 24 4.727 5.213 -3.563 1.00 0.00 N ATOM 363 CA ARG A 24 5.936 5.443 -4.328 1.00 0.00 C ATOM 364 C ARG A 24 7.122 5.789 -3.429 1.00 0.00 C ATOM 365 O ARG A 24 8.209 5.245 -3.591 1.00 0.00 O ATOM 366 CB ARG A 24 5.660 6.576 -5.307 1.00 0.00 C ATOM 367 CG ARG A 24 5.327 6.106 -6.705 1.00 0.00 C ATOM 368 CD ARG A 24 5.074 7.286 -7.608 1.00 0.00 C ATOM 369 NE ARG A 24 3.897 8.050 -7.192 1.00 0.00 N ATOM 370 CZ ARG A 24 3.108 8.719 -8.031 1.00 0.00 C ATOM 371 NH1 ARG A 24 3.306 8.637 -9.341 1.00 0.00 N ATOM 372 NH2 ARG A 24 2.101 9.441 -7.559 1.00 0.00 N ATOM 0 H ARG A 24 4.004 5.917 -3.712 1.00 0.00 H new ATOM 0 HA ARG A 24 6.205 4.530 -4.860 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.833 7.177 -4.929 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.533 7.227 -5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.148 5.507 -7.100 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.447 5.464 -6.680 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.948 7.937 -7.608 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.937 6.937 -8.631 1.00 0.00 H new ATOM 0 HE ARG A 24 3.667 8.071 -6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.064 8.061 -9.707 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.700 9.150 -9.981 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.931 9.484 -6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.496 9.954 -8.201 1.00 0.00 H new ATOM 386 N ARG A 25 6.903 6.680 -2.469 1.00 0.00 N ATOM 387 CA ARG A 25 7.953 7.065 -1.528 1.00 0.00 C ATOM 388 C ARG A 25 8.354 5.872 -0.663 1.00 0.00 C ATOM 389 O ARG A 25 9.513 5.738 -0.270 1.00 0.00 O ATOM 390 CB ARG A 25 7.511 8.245 -0.644 1.00 0.00 C ATOM 391 CG ARG A 25 6.445 7.896 0.384 1.00 0.00 C ATOM 392 CD ARG A 25 6.074 9.091 1.252 1.00 0.00 C ATOM 393 NE ARG A 25 7.233 9.655 1.948 1.00 0.00 N ATOM 394 CZ ARG A 25 7.385 9.662 3.274 1.00 0.00 C ATOM 395 NH1 ARG A 25 6.455 9.137 4.059 1.00 0.00 N ATOM 396 NH2 ARG A 25 8.464 10.209 3.820 1.00 0.00 N ATOM 0 H ARG A 25 6.010 7.150 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 25 8.818 7.389 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.384 8.641 -0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.133 9.042 -1.285 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.555 7.530 -0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.805 7.086 1.018 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.617 9.861 0.630 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.326 8.787 1.984 1.00 0.00 H new ATOM 0 HE ARG A 25 7.973 10.070 1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.616 8.724 3.651 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.578 9.146 5.072 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.181 10.626 3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.577 10.212 4.834 1.00 0.00 H new ATOM 410 N LYS A 26 7.391 5.003 -0.376 1.00 0.00 N ATOM 411 CA LYS A 26 7.661 3.794 0.384 1.00 0.00 C ATOM 412 C LYS A 26 8.457 2.811 -0.461 1.00 0.00 C ATOM 413 O LYS A 26 9.358 2.134 0.031 1.00 0.00 O ATOM 414 CB LYS A 26 6.355 3.171 0.862 1.00 0.00 C ATOM 415 CG LYS A 26 6.541 1.882 1.644 1.00 0.00 C ATOM 416 CD LYS A 26 5.280 1.523 2.402 1.00 0.00 C ATOM 417 CE LYS A 26 5.297 2.072 3.827 1.00 0.00 C ATOM 418 NZ LYS A 26 5.551 3.539 3.877 1.00 0.00 N ATOM 0 H LYS A 26 6.418 5.116 -0.659 1.00 0.00 H new ATOM 0 HA LYS A 26 8.256 4.050 1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.827 3.891 1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.720 2.973 -0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.803 1.073 0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.371 1.992 2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.413 1.917 1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.170 0.439 2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.342 1.857 4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.065 1.555 4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.451 3.875 4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.515 3.736 3.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.864 4.031 3.270 1.00 0.00 H new ATOM 432 N ALA A 27 8.115 2.741 -1.737 1.00 0.00 N ATOM 433 CA ALA A 27 8.896 1.976 -2.703 1.00 0.00 C ATOM 434 C ALA A 27 10.356 2.427 -2.697 1.00 0.00 C ATOM 435 O ALA A 27 11.269 1.620 -2.848 1.00 0.00 O ATOM 436 CB ALA A 27 8.304 2.117 -4.097 1.00 0.00 C ATOM 0 H ALA A 27 7.298 3.206 -2.132 1.00 0.00 H new ATOM 0 HA ALA A 27 8.860 0.925 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.899 1.540 -4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.279 1.745 -4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.309 3.167 -4.390 1.00 0.00 H new ATOM 442 N LEU A 28 10.560 3.730 -2.526 1.00 0.00 N ATOM 443 CA LEU A 28 11.900 4.299 -2.399 1.00 0.00 C ATOM 444 C LEU A 28 12.570 3.864 -1.096 1.00 0.00 C ATOM 445 O LEU A 28 13.783 3.659 -1.055 1.00 0.00 O ATOM 446 CB LEU A 28 11.857 5.826 -2.489 1.00 0.00 C ATOM 447 CG LEU A 28 12.085 6.409 -3.885 1.00 0.00 C ATOM 448 CD1 LEU A 28 10.948 6.033 -4.815 1.00 0.00 C ATOM 449 CD2 LEU A 28 12.233 7.919 -3.810 1.00 0.00 C ATOM 0 H LEU A 28 9.808 4.417 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 28 12.495 3.919 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.888 6.167 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.611 6.234 -1.816 1.00 0.00 H new ATOM 0 HG LEU A 28 13.007 5.989 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.130 6.458 -5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.885 4.948 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.010 6.423 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.395 8.319 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.327 8.353 -3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.084 8.170 -3.177 1.00 0.00 H new ATOM 461 N GLN A 29 11.782 3.737 -0.033 1.00 0.00 N ATOM 462 CA GLN A 29 12.304 3.285 1.257 1.00 0.00 C ATOM 463 C GLN A 29 12.861 1.868 1.136 1.00 0.00 C ATOM 464 O GLN A 29 13.852 1.517 1.780 1.00 0.00 O ATOM 465 CB GLN A 29 11.208 3.309 2.327 1.00 0.00 C ATOM 466 CG GLN A 29 10.582 4.677 2.547 1.00 0.00 C ATOM 467 CD GLN A 29 9.477 4.648 3.588 1.00 0.00 C ATOM 468 OE1 GLN A 29 8.307 4.422 3.266 1.00 0.00 O ATOM 469 NE2 GLN A 29 9.838 4.868 4.842 1.00 0.00 N ATOM 0 H GLN A 29 10.782 3.939 -0.037 1.00 0.00 H new ATOM 0 HA GLN A 29 13.102 3.966 1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.425 2.605 2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.628 2.958 3.270 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.354 5.380 2.860 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.179 5.045 1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.816 5.051 5.067 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.138 4.854 5.584 1.00 0.00 H new ATOM 478 N TRP A 30 12.226 1.069 0.290 1.00 0.00 N ATOM 479 CA TRP A 30 12.622 -0.316 0.096 1.00 0.00 C ATOM 480 C TRP A 30 13.324 -0.488 -1.248 1.00 0.00 C ATOM 481 O TRP A 30 13.429 -1.596 -1.773 1.00 0.00 O ATOM 482 CB TRP A 30 11.397 -1.232 0.180 1.00 0.00 C ATOM 483 CG TRP A 30 10.563 -0.994 1.402 1.00 0.00 C ATOM 484 CD1 TRP A 30 9.243 -0.640 1.435 1.00 0.00 C ATOM 485 CD2 TRP A 30 10.990 -1.070 2.768 1.00 0.00 C ATOM 486 NE1 TRP A 30 8.822 -0.505 2.735 1.00 0.00 N ATOM 487 CE2 TRP A 30 9.876 -0.760 3.571 1.00 0.00 C ATOM 488 CE3 TRP A 30 12.205 -1.374 3.391 1.00 0.00 C ATOM 489 CZ2 TRP A 30 9.940 -0.745 4.959 1.00 0.00 C ATOM 490 CZ3 TRP A 30 12.266 -1.357 4.772 1.00 0.00 C ATOM 491 CH2 TRP A 30 11.139 -1.044 5.542 1.00 0.00 C ATOM 0 H TRP A 30 11.429 1.360 -0.276 1.00 0.00 H new ATOM 0 HA TRP A 30 13.320 -0.592 0.886 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.780 -1.085 -0.707 1.00 0.00 H new ATOM 0 HB3 TRP A 30 11.727 -2.271 0.170 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.621 -0.488 0.565 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.878 -0.255 3.030 1.00 0.00 H new ATOM 0 HE3 TRP A 30 13.079 -1.617 2.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 9.072 -0.505 5.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.198 -1.589 5.265 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.219 -1.039 6.619 1.00 0.00 H new ATOM 502 N HIS A 31 13.792 0.620 -1.801 1.00 0.00 N ATOM 503 CA HIS A 31 14.457 0.616 -3.101 1.00 0.00 C ATOM 504 C HIS A 31 15.828 -0.039 -2.968 1.00 0.00 C ATOM 505 O HIS A 31 16.430 0.010 -1.899 1.00 0.00 O ATOM 506 CB HIS A 31 14.607 2.058 -3.604 1.00 0.00 C ATOM 507 CG HIS A 31 14.229 2.260 -5.042 1.00 0.00 C ATOM 508 ND1 HIS A 31 15.141 2.568 -6.027 1.00 0.00 N ATOM 509 CD2 HIS A 31 13.022 2.221 -5.652 1.00 0.00 C ATOM 510 CE1 HIS A 31 14.511 2.709 -7.178 1.00 0.00 C ATOM 511 NE2 HIS A 31 13.224 2.506 -6.979 1.00 0.00 N ATOM 0 H HIS A 31 13.724 1.541 -1.369 1.00 0.00 H new ATOM 0 HA HIS A 31 13.861 0.051 -3.817 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.992 2.711 -2.985 1.00 0.00 H new ATOM 0 HB3 HIS A 31 15.642 2.371 -3.466 1.00 0.00 H new ATOM 0 HD1 HIS A 31 16.146 2.671 -5.889 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.074 2.005 -5.181 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.973 2.950 -8.124 1.00 0.00 H new ATOM 520 N PRO A 32 16.342 -0.651 -4.055 1.00 0.00 N ATOM 521 CA PRO A 32 17.636 -1.354 -4.049 1.00 0.00 C ATOM 522 C PRO A 32 18.782 -0.476 -3.565 1.00 0.00 C ATOM 523 O PRO A 32 19.759 -0.970 -3.003 1.00 0.00 O ATOM 524 CB PRO A 32 17.855 -1.744 -5.519 1.00 0.00 C ATOM 525 CG PRO A 32 16.869 -0.938 -6.291 1.00 0.00 C ATOM 526 CD PRO A 32 15.701 -0.742 -5.374 1.00 0.00 C ATOM 0 HA PRO A 32 17.619 -2.204 -3.366 1.00 0.00 H new ATOM 0 HB2 PRO A 32 18.875 -1.526 -5.836 1.00 0.00 H new ATOM 0 HB3 PRO A 32 17.695 -2.811 -5.671 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.295 0.019 -6.592 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.569 -1.455 -7.203 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.142 0.162 -5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.999 -1.574 -5.427 1.00 0.00 H new ATOM 534 N ASP A 33 18.653 0.822 -3.796 1.00 0.00 N ATOM 535 CA ASP A 33 19.628 1.801 -3.329 1.00 0.00 C ATOM 536 C ASP A 33 19.720 1.773 -1.807 1.00 0.00 C ATOM 537 O ASP A 33 20.791 1.965 -1.229 1.00 0.00 O ATOM 538 CB ASP A 33 19.212 3.206 -3.774 1.00 0.00 C ATOM 539 CG ASP A 33 18.740 3.252 -5.213 1.00 0.00 C ATOM 540 OD1 ASP A 33 17.664 2.686 -5.505 1.00 0.00 O ATOM 541 OD2 ASP A 33 19.431 3.854 -6.056 1.00 0.00 O ATOM 0 H ASP A 33 17.872 1.228 -4.311 1.00 0.00 H new ATOM 0 HA ASP A 33 20.599 1.550 -3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 33 18.415 3.567 -3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.056 3.885 -3.652 1.00 0.00 H new ATOM 546 N LYS A 34 18.585 1.524 -1.167 1.00 0.00 N ATOM 547 CA LYS A 34 18.502 1.501 0.283 1.00 0.00 C ATOM 548 C LYS A 34 18.327 0.064 0.766 1.00 0.00 C ATOM 549 O LYS A 34 17.885 -0.184 1.891 1.00 0.00 O ATOM 550 CB LYS A 34 17.336 2.364 0.777 1.00 0.00 C ATOM 551 CG LYS A 34 17.439 3.840 0.409 1.00 0.00 C ATOM 552 CD LYS A 34 17.078 4.072 -1.050 1.00 0.00 C ATOM 553 CE LYS A 34 17.220 5.531 -1.459 1.00 0.00 C ATOM 554 NZ LYS A 34 16.443 6.437 -0.575 1.00 0.00 N ATOM 0 H LYS A 34 17.701 1.333 -1.638 1.00 0.00 H new ATOM 0 HA LYS A 34 19.427 1.911 0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.407 1.965 0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 34 17.271 2.277 1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.775 4.423 1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.453 4.194 0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.718 3.457 -1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.052 3.747 -1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.272 5.814 -1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.883 5.653 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.429 7.393 -0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.469 6.084 -0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.887 6.470 0.365 1.00 0.00 H new ATOM 568 N ASN A 35 18.653 -0.874 -0.112 1.00 0.00 N ATOM 569 CA ASN A 35 18.503 -2.294 0.169 1.00 0.00 C ATOM 570 C ASN A 35 19.873 -2.977 0.173 1.00 0.00 C ATOM 571 O ASN A 35 20.710 -2.706 -0.690 1.00 0.00 O ATOM 572 CB ASN A 35 17.587 -2.932 -0.885 1.00 0.00 C ATOM 573 CG ASN A 35 17.447 -4.425 -0.705 1.00 0.00 C ATOM 574 OD1 ASN A 35 18.214 -5.204 -1.264 1.00 0.00 O ATOM 575 ND2 ASN A 35 16.458 -4.832 0.070 1.00 0.00 N ATOM 0 H ASN A 35 19.029 -0.672 -1.039 1.00 0.00 H new ATOM 0 HA ASN A 35 18.053 -2.422 1.153 1.00 0.00 H new ATOM 0 HB2 ASN A 35 16.601 -2.469 -0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 35 17.984 -2.725 -1.879 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.308 -5.829 0.224 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.845 -4.149 0.515 1.00 0.00 H new ATOM 582 N PRO A 36 20.124 -3.857 1.159 1.00 0.00 N ATOM 583 CA PRO A 36 21.386 -4.591 1.269 1.00 0.00 C ATOM 584 C PRO A 36 21.397 -5.880 0.435 1.00 0.00 C ATOM 585 O PRO A 36 21.201 -5.839 -0.779 1.00 0.00 O ATOM 586 CB PRO A 36 21.441 -4.896 2.763 1.00 0.00 C ATOM 587 CG PRO A 36 20.019 -5.122 3.133 1.00 0.00 C ATOM 588 CD PRO A 36 19.208 -4.188 2.268 1.00 0.00 C ATOM 0 HA PRO A 36 22.241 -4.029 0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.052 -5.775 2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.873 -4.068 3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 36 19.732 -6.160 2.962 1.00 0.00 H new ATOM 0 HG3 PRO A 36 19.854 -4.916 4.191 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.297 -4.666 1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 36 18.904 -3.296 2.816 1.00 0.00 H new ATOM 596 N ASP A 37 21.620 -7.026 1.084 1.00 0.00 N ATOM 597 CA ASP A 37 21.711 -8.297 0.363 1.00 0.00 C ATOM 598 C ASP A 37 20.387 -9.046 0.402 1.00 0.00 C ATOM 599 O ASP A 37 20.209 -10.052 -0.286 1.00 0.00 O ATOM 600 CB ASP A 37 22.796 -9.197 0.955 1.00 0.00 C ATOM 601 CG ASP A 37 24.175 -8.573 0.933 1.00 0.00 C ATOM 602 OD1 ASP A 37 24.721 -8.356 -0.169 1.00 0.00 O ATOM 603 OD2 ASP A 37 24.725 -8.313 2.025 1.00 0.00 O ATOM 0 H ASP A 37 21.739 -7.100 2.094 1.00 0.00 H new ATOM 0 HA ASP A 37 21.965 -8.054 -0.669 1.00 0.00 H new ATOM 0 HB2 ASP A 37 22.533 -9.442 1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 37 22.821 -10.135 0.401 1.00 0.00 H new ATOM 608 N ASN A 38 19.460 -8.556 1.204 1.00 0.00 N ATOM 609 CA ASN A 38 18.152 -9.182 1.316 1.00 0.00 C ATOM 610 C ASN A 38 17.132 -8.340 0.580 1.00 0.00 C ATOM 611 O ASN A 38 16.696 -7.307 1.074 1.00 0.00 O ATOM 612 CB ASN A 38 17.747 -9.342 2.785 1.00 0.00 C ATOM 613 CG ASN A 38 18.708 -10.223 3.564 1.00 0.00 C ATOM 614 OD1 ASN A 38 19.690 -9.736 4.129 1.00 0.00 O ATOM 615 ND2 ASN A 38 18.429 -11.519 3.612 1.00 0.00 N ATOM 0 H ASN A 38 19.586 -7.729 1.787 1.00 0.00 H new ATOM 0 HA ASN A 38 18.196 -10.176 0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.700 -8.359 3.254 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.745 -9.769 2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.037 -12.153 4.130 1.00 0.00 H new ATOM 0 HD22 ASN A 38 17.606 -11.882 3.130 1.00 0.00 H new ATOM 622 N LYS A 39 16.768 -8.774 -0.609 1.00 0.00 N ATOM 623 CA LYS A 39 15.882 -8.004 -1.462 1.00 0.00 C ATOM 624 C LYS A 39 14.454 -8.517 -1.375 1.00 0.00 C ATOM 625 O LYS A 39 13.510 -7.789 -1.668 1.00 0.00 O ATOM 626 CB LYS A 39 16.385 -8.081 -2.897 1.00 0.00 C ATOM 627 CG LYS A 39 17.840 -7.673 -3.036 1.00 0.00 C ATOM 628 CD LYS A 39 18.404 -8.058 -4.385 1.00 0.00 C ATOM 629 CE LYS A 39 19.841 -7.583 -4.535 1.00 0.00 C ATOM 630 NZ LYS A 39 19.964 -6.113 -4.336 1.00 0.00 N ATOM 0 H LYS A 39 17.073 -9.661 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 39 15.880 -6.967 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.262 -9.099 -3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.771 -7.438 -3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.930 -6.596 -2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.427 -8.145 -2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.362 -9.141 -4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.791 -7.626 -5.176 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.472 -8.101 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.209 -7.847 -5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.866 -5.783 -4.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.176 -5.631 -4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.936 -5.897 -3.319 1.00 0.00 H new ATOM 644 N GLU A 40 14.307 -9.762 -0.939 1.00 0.00 N ATOM 645 CA GLU A 40 13.006 -10.417 -0.888 1.00 0.00 C ATOM 646 C GLU A 40 12.021 -9.614 -0.033 1.00 0.00 C ATOM 647 O GLU A 40 10.869 -9.428 -0.421 1.00 0.00 O ATOM 648 CB GLU A 40 13.174 -11.840 -0.346 1.00 0.00 C ATOM 649 CG GLU A 40 12.034 -12.792 -0.694 1.00 0.00 C ATOM 650 CD GLU A 40 10.797 -12.594 0.158 1.00 0.00 C ATOM 651 OE1 GLU A 40 10.889 -12.756 1.390 1.00 0.00 O ATOM 652 OE2 GLU A 40 9.719 -12.308 -0.402 1.00 0.00 O ATOM 0 H GLU A 40 15.080 -10.342 -0.613 1.00 0.00 H new ATOM 0 HA GLU A 40 12.593 -10.468 -1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.106 -12.254 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.271 -11.792 0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.768 -12.659 -1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.382 -13.819 -0.581 1.00 0.00 H new ATOM 659 N PHE A 41 12.483 -9.115 1.114 1.00 0.00 N ATOM 660 CA PHE A 41 11.626 -8.331 2.000 1.00 0.00 C ATOM 661 C PHE A 41 11.257 -7.002 1.343 1.00 0.00 C ATOM 662 O PHE A 41 10.148 -6.502 1.523 1.00 0.00 O ATOM 663 CB PHE A 41 12.273 -8.114 3.384 1.00 0.00 C ATOM 664 CG PHE A 41 13.164 -6.905 3.505 1.00 0.00 C ATOM 665 CD1 PHE A 41 14.496 -6.963 3.134 1.00 0.00 C ATOM 666 CD2 PHE A 41 12.664 -5.712 4.005 1.00 0.00 C ATOM 667 CE1 PHE A 41 15.311 -5.851 3.257 1.00 0.00 C ATOM 668 CE2 PHE A 41 13.474 -4.603 4.127 1.00 0.00 C ATOM 669 CZ PHE A 41 14.799 -4.672 3.753 1.00 0.00 C ATOM 0 H PHE A 41 13.439 -9.239 1.448 1.00 0.00 H new ATOM 0 HA PHE A 41 10.711 -8.899 2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.480 -8.034 4.127 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.857 -9.000 3.635 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.903 -7.884 2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.628 -5.651 4.302 1.00 0.00 H new ATOM 0 HE1 PHE A 41 16.349 -5.908 2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.070 -3.680 4.516 1.00 0.00 H new ATOM 0 HZ PHE A 41 15.434 -3.804 3.849 1.00 0.00 H new ATOM 679 N ALA A 42 12.194 -6.429 0.586 1.00 0.00 N ATOM 680 CA ALA A 42 11.938 -5.187 -0.139 1.00 0.00 C ATOM 681 C ALA A 42 10.829 -5.393 -1.168 1.00 0.00 C ATOM 682 O ALA A 42 9.977 -4.526 -1.359 1.00 0.00 O ATOM 683 CB ALA A 42 13.210 -4.681 -0.817 1.00 0.00 C ATOM 0 H ALA A 42 13.134 -6.805 0.460 1.00 0.00 H new ATOM 0 HA ALA A 42 11.613 -4.433 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.994 -3.755 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.975 -4.496 -0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.569 -5.431 -1.522 1.00 0.00 H new ATOM 689 N GLU A 43 10.841 -6.551 -1.823 1.00 0.00 N ATOM 690 CA GLU A 43 9.790 -6.909 -2.772 1.00 0.00 C ATOM 691 C GLU A 43 8.492 -7.164 -2.030 1.00 0.00 C ATOM 692 O GLU A 43 7.421 -6.739 -2.459 1.00 0.00 O ATOM 693 CB GLU A 43 10.166 -8.165 -3.550 1.00 0.00 C ATOM 694 CG GLU A 43 11.584 -8.147 -4.062 1.00 0.00 C ATOM 695 CD GLU A 43 11.935 -9.398 -4.836 1.00 0.00 C ATOM 696 OE1 GLU A 43 11.290 -9.665 -5.876 1.00 0.00 O ATOM 697 OE2 GLU A 43 12.842 -10.137 -4.406 1.00 0.00 O ATOM 0 H GLU A 43 11.568 -7.258 -1.714 1.00 0.00 H new ATOM 0 HA GLU A 43 9.668 -6.080 -3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.030 -9.036 -2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.484 -8.280 -4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.725 -7.276 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.269 -8.039 -3.221 1.00 0.00 H new ATOM 704 N LYS A 44 8.610 -7.859 -0.909 1.00 0.00 N ATOM 705 CA LYS A 44 7.473 -8.176 -0.064 1.00 0.00 C ATOM 706 C LYS A 44 6.761 -6.902 0.383 1.00 0.00 C ATOM 707 O LYS A 44 5.540 -6.801 0.287 1.00 0.00 O ATOM 708 CB LYS A 44 7.943 -8.982 1.154 1.00 0.00 C ATOM 709 CG LYS A 44 6.823 -9.360 2.103 1.00 0.00 C ATOM 710 CD LYS A 44 5.693 -10.037 1.355 1.00 0.00 C ATOM 711 CE LYS A 44 4.509 -10.313 2.266 1.00 0.00 C ATOM 712 NZ LYS A 44 3.317 -10.769 1.507 1.00 0.00 N ATOM 0 H LYS A 44 9.499 -8.219 -0.561 1.00 0.00 H new ATOM 0 HA LYS A 44 6.765 -8.775 -0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.437 -9.890 0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.688 -8.401 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.204 -10.027 2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.450 -8.468 2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.375 -9.406 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.049 -10.973 0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.784 -11.072 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.261 -9.409 2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.538 -10.962 2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.027 -10.028 0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.550 -11.637 0.983 1.00 0.00 H new ATOM 726 N LYS A 45 7.530 -5.926 0.836 1.00 0.00 N ATOM 727 CA LYS A 45 6.971 -4.655 1.270 1.00 0.00 C ATOM 728 C LYS A 45 6.353 -3.909 0.098 1.00 0.00 C ATOM 729 O LYS A 45 5.330 -3.238 0.245 1.00 0.00 O ATOM 730 CB LYS A 45 8.041 -3.798 1.943 1.00 0.00 C ATOM 731 CG LYS A 45 8.378 -4.258 3.348 1.00 0.00 C ATOM 732 CD LYS A 45 7.119 -4.383 4.178 1.00 0.00 C ATOM 733 CE LYS A 45 7.417 -4.640 5.641 1.00 0.00 C ATOM 734 NZ LYS A 45 6.164 -4.814 6.417 1.00 0.00 N ATOM 0 H LYS A 45 8.545 -5.989 0.913 1.00 0.00 H new ATOM 0 HA LYS A 45 6.186 -4.861 1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.946 -3.814 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.700 -2.763 1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.893 -5.218 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.061 -3.549 3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.533 -3.469 4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.507 -5.196 3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.036 -5.532 5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.990 -3.808 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.396 -4.989 7.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.586 -3.953 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.631 -5.623 6.039 1.00 0.00 H new ATOM 748 N PHE A 46 6.979 -4.047 -1.061 1.00 0.00 N ATOM 749 CA PHE A 46 6.498 -3.411 -2.280 1.00 0.00 C ATOM 750 C PHE A 46 5.153 -4.004 -2.708 1.00 0.00 C ATOM 751 O PHE A 46 4.260 -3.285 -3.152 1.00 0.00 O ATOM 752 CB PHE A 46 7.531 -3.575 -3.398 1.00 0.00 C ATOM 753 CG PHE A 46 7.169 -2.864 -4.670 1.00 0.00 C ATOM 754 CD1 PHE A 46 7.346 -1.494 -4.785 1.00 0.00 C ATOM 755 CD2 PHE A 46 6.660 -3.564 -5.752 1.00 0.00 C ATOM 756 CE1 PHE A 46 7.022 -0.836 -5.955 1.00 0.00 C ATOM 757 CE2 PHE A 46 6.333 -2.909 -6.924 1.00 0.00 C ATOM 758 CZ PHE A 46 6.515 -1.544 -7.025 1.00 0.00 C ATOM 0 H PHE A 46 7.828 -4.598 -1.184 1.00 0.00 H new ATOM 0 HA PHE A 46 6.354 -2.349 -2.083 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.494 -3.204 -3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.657 -4.637 -3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.742 -0.935 -3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.517 -4.632 -5.679 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.165 0.232 -6.032 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.935 -3.464 -7.761 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.261 -1.031 -7.941 1.00 0.00 H new ATOM 768 N LYS A 47 5.018 -5.317 -2.570 1.00 0.00 N ATOM 769 CA LYS A 47 3.788 -6.009 -2.940 1.00 0.00 C ATOM 770 C LYS A 47 2.633 -5.607 -2.029 1.00 0.00 C ATOM 771 O LYS A 47 1.527 -5.335 -2.501 1.00 0.00 O ATOM 772 CB LYS A 47 3.998 -7.525 -2.886 1.00 0.00 C ATOM 773 CG LYS A 47 5.024 -8.024 -3.888 1.00 0.00 C ATOM 774 CD LYS A 47 5.376 -9.482 -3.651 1.00 0.00 C ATOM 775 CE LYS A 47 6.465 -9.943 -4.606 1.00 0.00 C ATOM 776 NZ LYS A 47 6.885 -11.343 -4.343 1.00 0.00 N ATOM 0 H LYS A 47 5.748 -5.927 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 47 3.532 -5.719 -3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.315 -7.806 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.047 -8.024 -3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.634 -7.903 -4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.926 -7.416 -3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.709 -9.616 -2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.488 -10.100 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.106 -9.860 -5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.328 -9.283 -4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.629 -11.615 -5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.253 -11.419 -3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.068 -11.977 -4.454 1.00 0.00 H new ATOM 790 N GLU A 48 2.902 -5.550 -0.728 1.00 0.00 N ATOM 791 CA GLU A 48 1.872 -5.228 0.254 1.00 0.00 C ATOM 792 C GLU A 48 1.362 -3.801 0.073 1.00 0.00 C ATOM 793 O GLU A 48 0.163 -3.546 0.165 1.00 0.00 O ATOM 794 CB GLU A 48 2.401 -5.406 1.680 1.00 0.00 C ATOM 795 CG GLU A 48 2.986 -6.782 1.960 1.00 0.00 C ATOM 796 CD GLU A 48 2.031 -7.915 1.639 1.00 0.00 C ATOM 797 OE1 GLU A 48 1.145 -8.208 2.465 1.00 0.00 O ATOM 798 OE2 GLU A 48 2.186 -8.544 0.570 1.00 0.00 O ATOM 0 H GLU A 48 3.825 -5.723 -0.329 1.00 0.00 H new ATOM 0 HA GLU A 48 1.044 -5.918 0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.166 -4.653 1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.589 -5.219 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.898 -6.908 1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.270 -6.842 3.011 1.00 0.00 H new ATOM 805 N VAL A 49 2.269 -2.867 -0.186 1.00 0.00 N ATOM 806 CA VAL A 49 1.873 -1.478 -0.378 1.00 0.00 C ATOM 807 C VAL A 49 1.137 -1.308 -1.703 1.00 0.00 C ATOM 808 O VAL A 49 0.171 -0.550 -1.787 1.00 0.00 O ATOM 809 CB VAL A 49 3.070 -0.495 -0.293 1.00 0.00 C ATOM 810 CG1 VAL A 49 4.127 -0.812 -1.334 1.00 0.00 C ATOM 811 CG2 VAL A 49 2.601 0.940 -0.445 1.00 0.00 C ATOM 0 H VAL A 49 3.271 -3.042 -0.267 1.00 0.00 H new ATOM 0 HA VAL A 49 1.199 -1.228 0.442 1.00 0.00 H new ATOM 0 HB VAL A 49 3.520 -0.616 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.950 -0.103 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.501 -1.824 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.691 -0.737 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.457 1.611 -0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.114 1.063 -1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.894 1.178 0.350 1.00 0.00 H new ATOM 821 N ALA A 50 1.579 -2.033 -2.728 1.00 0.00 N ATOM 822 CA ALA A 50 0.961 -1.948 -4.046 1.00 0.00 C ATOM 823 C ALA A 50 -0.515 -2.324 -3.999 1.00 0.00 C ATOM 824 O ALA A 50 -1.358 -1.621 -4.555 1.00 0.00 O ATOM 825 CB ALA A 50 1.694 -2.847 -5.030 1.00 0.00 C ATOM 0 H ALA A 50 2.362 -2.685 -2.670 1.00 0.00 H new ATOM 0 HA ALA A 50 1.034 -0.913 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.223 -2.774 -6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.735 -2.533 -5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.650 -3.879 -4.682 1.00 0.00 H new ATOM 831 N GLU A 51 -0.833 -3.409 -3.303 1.00 0.00 N ATOM 832 CA GLU A 51 -2.217 -3.852 -3.208 1.00 0.00 C ATOM 833 C GLU A 51 -3.018 -2.903 -2.327 1.00 0.00 C ATOM 834 O GLU A 51 -4.149 -2.537 -2.648 1.00 0.00 O ATOM 835 CB GLU A 51 -2.311 -5.279 -2.658 1.00 0.00 C ATOM 836 CG GLU A 51 -1.841 -5.420 -1.220 1.00 0.00 C ATOM 837 CD GLU A 51 -2.172 -6.771 -0.627 1.00 0.00 C ATOM 838 OE1 GLU A 51 -1.435 -7.742 -0.896 1.00 0.00 O ATOM 839 OE2 GLU A 51 -3.188 -6.878 0.091 1.00 0.00 O ATOM 0 H GLU A 51 -0.161 -3.991 -2.803 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.636 -3.848 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.345 -5.616 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.718 -5.941 -3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.763 -5.264 -1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.301 -4.639 -0.614 1.00 0.00 H new ATOM 846 N ALA A 52 -2.398 -2.488 -1.228 1.00 0.00 N ATOM 847 CA ALA A 52 -3.058 -1.675 -0.227 1.00 0.00 C ATOM 848 C ALA A 52 -3.358 -0.278 -0.751 1.00 0.00 C ATOM 849 O ALA A 52 -4.449 0.251 -0.540 1.00 0.00 O ATOM 850 CB ALA A 52 -2.197 -1.615 1.026 1.00 0.00 C ATOM 0 H ALA A 52 -1.426 -2.708 -1.011 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.015 -2.135 0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.693 -1.003 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.051 -2.622 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.230 -1.176 0.782 1.00 0.00 H new ATOM 856 N TYR A 53 -2.401 0.310 -1.455 1.00 0.00 N ATOM 857 CA TYR A 53 -2.577 1.652 -1.981 1.00 0.00 C ATOM 858 C TYR A 53 -3.580 1.638 -3.129 1.00 0.00 C ATOM 859 O TYR A 53 -4.398 2.545 -3.255 1.00 0.00 O ATOM 860 CB TYR A 53 -1.231 2.251 -2.436 1.00 0.00 C ATOM 861 CG TYR A 53 -1.077 2.394 -3.939 1.00 0.00 C ATOM 862 CD1 TYR A 53 -0.558 1.360 -4.709 1.00 0.00 C ATOM 863 CD2 TYR A 53 -1.465 3.562 -4.585 1.00 0.00 C ATOM 864 CE1 TYR A 53 -0.437 1.485 -6.078 1.00 0.00 C ATOM 865 CE2 TYR A 53 -1.343 3.692 -5.952 1.00 0.00 C ATOM 866 CZ TYR A 53 -0.831 2.652 -6.693 1.00 0.00 C ATOM 867 OH TYR A 53 -0.723 2.777 -8.057 1.00 0.00 O ATOM 0 H TYR A 53 -1.502 -0.119 -1.673 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.968 2.285 -1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.112 3.232 -1.977 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.423 1.623 -2.060 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.245 0.445 -4.229 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.868 4.380 -4.007 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.035 0.672 -6.664 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.648 4.606 -6.439 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.241 2.068 -8.492 1.00 0.00 H new ATOM 877 N GLU A 54 -3.521 0.591 -3.950 1.00 0.00 N ATOM 878 CA GLU A 54 -4.359 0.515 -5.139 1.00 0.00 C ATOM 879 C GLU A 54 -5.820 0.310 -4.751 1.00 0.00 C ATOM 880 O GLU A 54 -6.714 0.960 -5.294 1.00 0.00 O ATOM 881 CB GLU A 54 -3.885 -0.617 -6.053 1.00 0.00 C ATOM 882 CG GLU A 54 -4.237 -0.411 -7.519 1.00 0.00 C ATOM 883 CD GLU A 54 -3.488 0.753 -8.143 1.00 0.00 C ATOM 884 OE1 GLU A 54 -2.370 0.539 -8.664 1.00 0.00 O ATOM 885 OE2 GLU A 54 -4.010 1.884 -8.128 1.00 0.00 O ATOM 0 H GLU A 54 -2.905 -0.210 -3.813 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.276 1.457 -5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.804 -0.718 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.324 -1.555 -5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.012 -1.322 -8.074 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.309 -0.239 -7.610 1.00 0.00 H new ATOM 892 N VAL A 55 -6.059 -0.577 -3.788 1.00 0.00 N ATOM 893 CA VAL A 55 -7.416 -0.851 -3.333 1.00 0.00 C ATOM 894 C VAL A 55 -7.993 0.362 -2.600 1.00 0.00 C ATOM 895 O VAL A 55 -9.175 0.661 -2.723 1.00 0.00 O ATOM 896 CB VAL A 55 -7.497 -2.119 -2.436 1.00 0.00 C ATOM 897 CG1 VAL A 55 -6.763 -1.928 -1.117 1.00 0.00 C ATOM 898 CG2 VAL A 55 -8.949 -2.510 -2.185 1.00 0.00 C ATOM 0 H VAL A 55 -5.335 -1.114 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.016 -1.049 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.003 -2.928 -2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.844 -2.837 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.712 -1.715 -1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.206 -1.095 -0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.983 -3.399 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.465 -1.691 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.439 -2.720 -3.136 1.00 0.00 H new ATOM 908 N LEU A 56 -7.153 1.058 -1.836 1.00 0.00 N ATOM 909 CA LEU A 56 -7.586 2.241 -1.097 1.00 0.00 C ATOM 910 C LEU A 56 -7.828 3.406 -2.055 1.00 0.00 C ATOM 911 O LEU A 56 -8.651 4.280 -1.791 1.00 0.00 O ATOM 912 CB LEU A 56 -6.533 2.612 -0.046 1.00 0.00 C ATOM 913 CG LEU A 56 -7.005 3.511 1.109 1.00 0.00 C ATOM 914 CD1 LEU A 56 -7.243 4.945 0.657 1.00 0.00 C ATOM 915 CD2 LEU A 56 -8.251 2.944 1.768 1.00 0.00 C ATOM 0 H LEU A 56 -6.168 0.822 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.524 2.020 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.136 1.690 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.707 3.112 -0.552 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.202 3.530 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.575 5.544 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.316 5.360 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.008 4.960 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.563 3.599 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.052 2.873 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.034 1.952 2.165 1.00 0.00 H new ATOM 927 N SER A 57 -7.151 3.381 -3.191 1.00 0.00 N ATOM 928 CA SER A 57 -7.210 4.491 -4.127 1.00 0.00 C ATOM 929 C SER A 57 -8.526 4.462 -4.889 1.00 0.00 C ATOM 930 O SER A 57 -8.956 5.477 -5.445 1.00 0.00 O ATOM 931 CB SER A 57 -6.027 4.419 -5.100 1.00 0.00 C ATOM 932 OG SER A 57 -5.980 5.548 -5.959 1.00 0.00 O ATOM 0 H SER A 57 -6.556 2.607 -3.487 1.00 0.00 H new ATOM 0 HA SER A 57 -7.150 5.427 -3.572 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.097 4.353 -4.536 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.103 3.511 -5.698 1.00 0.00 H new ATOM 0 HG SER A 57 -5.213 5.468 -6.563 1.00 0.00 H new ATOM 938 N ASP A 58 -9.167 3.303 -4.904 1.00 0.00 N ATOM 939 CA ASP A 58 -10.475 3.183 -5.519 1.00 0.00 C ATOM 940 C ASP A 58 -11.525 2.913 -4.454 1.00 0.00 C ATOM 941 O ASP A 58 -11.457 1.927 -3.722 1.00 0.00 O ATOM 942 CB ASP A 58 -10.495 2.081 -6.572 1.00 0.00 C ATOM 943 CG ASP A 58 -11.809 2.048 -7.326 1.00 0.00 C ATOM 944 OD1 ASP A 58 -11.965 2.827 -8.284 1.00 0.00 O ATOM 945 OD2 ASP A 58 -12.694 1.243 -6.965 1.00 0.00 O ATOM 0 H ASP A 58 -8.804 2.440 -4.500 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.703 4.125 -6.019 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.676 2.235 -7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.327 1.117 -6.092 1.00 0.00 H new ATOM 950 N LYS A 59 -12.501 3.797 -4.389 1.00 0.00 N ATOM 951 CA LYS A 59 -13.522 3.762 -3.359 1.00 0.00 C ATOM 952 C LYS A 59 -14.403 2.527 -3.472 1.00 0.00 C ATOM 953 O LYS A 59 -14.804 1.937 -2.469 1.00 0.00 O ATOM 954 CB LYS A 59 -14.393 5.022 -3.432 1.00 0.00 C ATOM 955 CG LYS A 59 -14.977 5.364 -4.810 1.00 0.00 C ATOM 956 CD LYS A 59 -13.923 5.820 -5.821 1.00 0.00 C ATOM 957 CE LYS A 59 -13.145 7.042 -5.343 1.00 0.00 C ATOM 958 NZ LYS A 59 -13.977 8.272 -5.296 1.00 0.00 N ATOM 0 H LYS A 59 -12.609 4.564 -5.053 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.010 3.723 -2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -15.218 4.909 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.798 5.870 -3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.494 4.489 -5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -15.723 6.150 -4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.228 5.002 -6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.409 6.051 -6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.741 6.844 -4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.296 7.208 -6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.398 9.070 -4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.342 8.480 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.774 8.128 -4.643 1.00 0.00 H new ATOM 972 N HIS A 60 -14.683 2.140 -4.698 1.00 0.00 N ATOM 973 CA HIS A 60 -15.527 0.987 -4.962 1.00 0.00 C ATOM 974 C HIS A 60 -14.834 -0.312 -4.556 1.00 0.00 C ATOM 975 O HIS A 60 -15.471 -1.216 -4.022 1.00 0.00 O ATOM 976 CB HIS A 60 -15.934 0.944 -6.436 1.00 0.00 C ATOM 977 CG HIS A 60 -16.977 -0.091 -6.742 1.00 0.00 C ATOM 978 ND1 HIS A 60 -18.148 -0.211 -6.028 1.00 0.00 N ATOM 979 CD2 HIS A 60 -17.020 -1.053 -7.692 1.00 0.00 C ATOM 980 CE1 HIS A 60 -18.865 -1.199 -6.526 1.00 0.00 C ATOM 981 NE2 HIS A 60 -18.206 -1.727 -7.539 1.00 0.00 N ATOM 0 H HIS A 60 -14.337 2.609 -5.535 1.00 0.00 H new ATOM 0 HA HIS A 60 -16.428 1.087 -4.357 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -16.310 1.924 -6.729 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -15.050 0.747 -7.043 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -18.419 0.373 -5.237 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -16.261 -1.254 -8.434 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -19.830 -1.522 -6.165 1.00 0.00 H new ATOM 990 N LYS A 61 -13.534 -0.413 -4.812 1.00 0.00 N ATOM 991 CA LYS A 61 -12.782 -1.593 -4.399 1.00 0.00 C ATOM 992 C LYS A 61 -12.815 -1.766 -2.887 1.00 0.00 C ATOM 993 O LYS A 61 -12.878 -2.889 -2.397 1.00 0.00 O ATOM 994 CB LYS A 61 -11.331 -1.518 -4.867 1.00 0.00 C ATOM 995 CG LYS A 61 -11.179 -1.267 -6.351 1.00 0.00 C ATOM 996 CD LYS A 61 -11.968 -2.259 -7.180 1.00 0.00 C ATOM 997 CE LYS A 61 -11.928 -1.876 -8.644 1.00 0.00 C ATOM 998 NZ LYS A 61 -12.703 -0.636 -8.924 1.00 0.00 N ATOM 0 H LYS A 61 -12.985 0.297 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.260 -2.454 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.823 -0.723 -4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.829 -2.451 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.512 -0.255 -6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.125 -1.326 -6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.557 -3.260 -7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.001 -2.291 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.892 -1.732 -8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.327 -2.695 -9.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.574 -0.880 -9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.948 -0.170 -8.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.129 0.009 -9.503 1.00 0.00 H new ATOM 1012 N ARG A 62 -12.787 -0.661 -2.148 1.00 0.00 N ATOM 1013 CA ARG A 62 -12.776 -0.732 -0.692 1.00 0.00 C ATOM 1014 C ARG A 62 -14.051 -1.357 -0.146 1.00 0.00 C ATOM 1015 O ARG A 62 -13.994 -2.240 0.711 1.00 0.00 O ATOM 1016 CB ARG A 62 -12.576 0.646 -0.062 1.00 0.00 C ATOM 1017 CG ARG A 62 -11.134 1.126 -0.069 1.00 0.00 C ATOM 1018 CD ARG A 62 -10.171 0.034 0.388 1.00 0.00 C ATOM 1019 NE ARG A 62 -10.631 -0.674 1.589 1.00 0.00 N ATOM 1020 CZ ARG A 62 -9.925 -1.627 2.201 1.00 0.00 C ATOM 1021 NH1 ARG A 62 -8.689 -1.894 1.792 1.00 0.00 N ATOM 1022 NH2 ARG A 62 -10.452 -2.305 3.219 1.00 0.00 N ATOM 0 H ARG A 62 -12.772 0.285 -2.529 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.933 -1.368 -0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.192 1.371 -0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.934 0.619 0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.864 1.451 -1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.036 1.993 0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.036 -0.684 -0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.195 0.478 0.587 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.540 -0.424 1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.285 -1.372 1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.144 -2.621 2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.399 -2.097 3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.908 -3.032 3.683 1.00 0.00 H new ATOM 1036 N GLU A 63 -15.200 -0.920 -0.651 1.00 0.00 N ATOM 1037 CA GLU A 63 -16.470 -1.446 -0.173 1.00 0.00 C ATOM 1038 C GLU A 63 -16.590 -2.924 -0.531 1.00 0.00 C ATOM 1039 O GLU A 63 -17.064 -3.730 0.270 1.00 0.00 O ATOM 1040 CB GLU A 63 -17.648 -0.643 -0.739 1.00 0.00 C ATOM 1041 CG GLU A 63 -17.827 -0.771 -2.242 1.00 0.00 C ATOM 1042 CD GLU A 63 -18.985 0.045 -2.768 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -20.115 -0.132 -2.273 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -18.771 0.868 -3.684 1.00 0.00 O ATOM 0 H GLU A 63 -15.277 -0.212 -1.382 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.500 -1.348 0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -18.564 -0.969 -0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.509 0.409 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.910 -0.455 -2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -17.983 -1.819 -2.496 1.00 0.00 H new ATOM 1051 N ILE A 64 -16.119 -3.275 -1.726 1.00 0.00 N ATOM 1052 CA ILE A 64 -16.147 -4.652 -2.195 1.00 0.00 C ATOM 1053 C ILE A 64 -15.194 -5.518 -1.373 1.00 0.00 C ATOM 1054 O ILE A 64 -15.548 -6.615 -0.942 1.00 0.00 O ATOM 1055 CB ILE A 64 -15.770 -4.741 -3.698 1.00 0.00 C ATOM 1056 CG1 ILE A 64 -16.797 -3.988 -4.556 1.00 0.00 C ATOM 1057 CG2 ILE A 64 -15.662 -6.194 -4.146 1.00 0.00 C ATOM 1058 CD1 ILE A 64 -18.209 -4.521 -4.433 1.00 0.00 C ATOM 0 H ILE A 64 -15.711 -2.616 -2.389 1.00 0.00 H new ATOM 0 HA ILE A 64 -17.165 -5.022 -2.071 1.00 0.00 H new ATOM 0 HB ILE A 64 -14.796 -4.271 -3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -16.791 -2.936 -4.273 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -16.490 -4.039 -5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -15.397 -6.230 -5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -14.893 -6.699 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -16.619 -6.693 -3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.875 -3.937 -5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.232 -5.565 -4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.538 -4.445 -3.397 1.00 0.00 H new ATOM 1070 N TYR A 65 -14.003 -4.994 -1.127 1.00 0.00 N ATOM 1071 CA TYR A 65 -12.961 -5.725 -0.420 1.00 0.00 C ATOM 1072 C TYR A 65 -13.407 -6.099 0.989 1.00 0.00 C ATOM 1073 O TYR A 65 -13.180 -7.217 1.443 1.00 0.00 O ATOM 1074 CB TYR A 65 -11.690 -4.879 -0.366 1.00 0.00 C ATOM 1075 CG TYR A 65 -10.454 -5.627 0.083 1.00 0.00 C ATOM 1076 CD1 TYR A 65 -9.717 -6.380 -0.821 1.00 0.00 C ATOM 1077 CD2 TYR A 65 -10.017 -5.570 1.400 1.00 0.00 C ATOM 1078 CE1 TYR A 65 -8.580 -7.058 -0.427 1.00 0.00 C ATOM 1079 CE2 TYR A 65 -8.879 -6.243 1.802 1.00 0.00 C ATOM 1080 CZ TYR A 65 -8.164 -6.985 0.884 1.00 0.00 C ATOM 1081 OH TYR A 65 -7.026 -7.653 1.278 1.00 0.00 O ATOM 0 H TYR A 65 -13.731 -4.053 -1.411 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.760 -6.650 -0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -11.506 -4.460 -1.355 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.856 -4.040 0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.038 -6.437 -1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.575 -4.991 2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.020 -7.642 -1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.551 -6.189 2.829 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.870 -7.498 2.233 1.00 0.00 H new ATOM 1091 N ASP A 66 -14.049 -5.167 1.676 1.00 0.00 N ATOM 1092 CA ASP A 66 -14.487 -5.406 3.044 1.00 0.00 C ATOM 1093 C ASP A 66 -15.688 -6.351 3.113 1.00 0.00 C ATOM 1094 O ASP A 66 -15.730 -7.235 3.969 1.00 0.00 O ATOM 1095 CB ASP A 66 -14.797 -4.091 3.762 1.00 0.00 C ATOM 1096 CG ASP A 66 -13.552 -3.447 4.346 1.00 0.00 C ATOM 1097 OD1 ASP A 66 -13.033 -3.969 5.357 1.00 0.00 O ATOM 1098 OD2 ASP A 66 -13.088 -2.420 3.805 1.00 0.00 O ATOM 0 H ASP A 66 -14.278 -4.242 1.312 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.659 -5.895 3.557 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.267 -3.400 3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.516 -4.276 4.560 1.00 0.00 H new ATOM 1103 N ARG A 67 -16.660 -6.179 2.217 1.00 0.00 N ATOM 1104 CA ARG A 67 -17.879 -6.992 2.256 1.00 0.00 C ATOM 1105 C ARG A 67 -17.607 -8.430 1.810 1.00 0.00 C ATOM 1106 O ARG A 67 -18.247 -9.366 2.283 1.00 0.00 O ATOM 1107 CB ARG A 67 -18.964 -6.365 1.372 1.00 0.00 C ATOM 1108 CG ARG A 67 -18.680 -6.473 -0.117 1.00 0.00 C ATOM 1109 CD ARG A 67 -19.338 -5.350 -0.893 1.00 0.00 C ATOM 1110 NE ARG A 67 -20.800 -5.417 -0.874 1.00 0.00 N ATOM 1111 CZ ARG A 67 -21.585 -4.683 -1.666 1.00 0.00 C ATOM 1112 NH1 ARG A 67 -21.050 -3.793 -2.495 1.00 0.00 N ATOM 1113 NH2 ARG A 67 -22.901 -4.830 -1.622 1.00 0.00 N ATOM 0 H ARG A 67 -16.630 -5.493 1.463 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.227 -7.019 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.918 -6.847 1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.072 -5.313 1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.603 -6.450 -0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.040 -7.432 -0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -19.019 -4.394 -0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -18.993 -5.380 -1.926 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.244 -6.061 -0.219 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -20.038 -3.670 -2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -21.651 -3.233 -3.099 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -23.318 -5.506 -0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -23.498 -4.267 -2.229 1.00 0.00 H new ATOM 1127 N TYR A 68 -16.643 -8.595 0.916 1.00 0.00 N ATOM 1128 CA TYR A 68 -16.353 -9.894 0.311 1.00 0.00 C ATOM 1129 C TYR A 68 -15.091 -10.512 0.920 1.00 0.00 C ATOM 1130 O TYR A 68 -14.757 -11.669 0.667 1.00 0.00 O ATOM 1131 CB TYR A 68 -16.247 -9.690 -1.215 1.00 0.00 C ATOM 1132 CG TYR A 68 -15.172 -10.478 -1.933 1.00 0.00 C ATOM 1133 CD1 TYR A 68 -15.420 -11.750 -2.431 1.00 0.00 C ATOM 1134 CD2 TYR A 68 -13.911 -9.929 -2.134 1.00 0.00 C ATOM 1135 CE1 TYR A 68 -14.442 -12.453 -3.108 1.00 0.00 C ATOM 1136 CE2 TYR A 68 -12.927 -10.627 -2.806 1.00 0.00 C ATOM 1137 CZ TYR A 68 -13.198 -11.887 -3.292 1.00 0.00 C ATOM 1138 OH TYR A 68 -12.223 -12.580 -3.975 1.00 0.00 O ATOM 0 H TYR A 68 -16.041 -7.839 0.589 1.00 0.00 H new ATOM 0 HA TYR A 68 -17.153 -10.605 0.515 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -17.209 -9.944 -1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.077 -8.630 -1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -16.393 -12.197 -2.287 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.697 -8.939 -1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -14.651 -13.441 -3.491 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.951 -10.188 -2.950 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.406 -12.040 -4.017 1.00 0.00 H new ATOM 1148 N GLY A 69 -14.428 -9.737 1.765 1.00 0.00 N ATOM 1149 CA GLY A 69 -13.195 -10.175 2.393 1.00 0.00 C ATOM 1150 C GLY A 69 -13.373 -11.355 3.317 1.00 0.00 C ATOM 1151 O GLY A 69 -12.620 -12.326 3.256 1.00 0.00 O ATOM 0 H GLY A 69 -14.726 -8.799 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.475 -10.437 1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.769 -9.345 2.956 1.00 0.00 H new ATOM 1155 N ARG A 70 -14.356 -11.246 4.190 1.00 0.00 N ATOM 1156 CA ARG A 70 -14.610 -12.262 5.212 1.00 0.00 C ATOM 1157 C ARG A 70 -14.877 -13.645 4.615 1.00 0.00 C ATOM 1158 O ARG A 70 -14.328 -14.640 5.092 1.00 0.00 O ATOM 1159 CB ARG A 70 -15.781 -11.850 6.105 1.00 0.00 C ATOM 1160 CG ARG A 70 -15.522 -10.585 6.909 1.00 0.00 C ATOM 1161 CD ARG A 70 -14.228 -10.685 7.705 1.00 0.00 C ATOM 1162 NE ARG A 70 -14.169 -11.898 8.524 1.00 0.00 N ATOM 1163 CZ ARG A 70 -13.050 -12.374 9.068 1.00 0.00 C ATOM 1164 NH1 ARG A 70 -11.904 -11.725 8.909 1.00 0.00 N ATOM 1165 NH2 ARG A 70 -13.080 -13.500 9.769 1.00 0.00 N ATOM 0 H ARG A 70 -15.002 -10.457 4.217 1.00 0.00 H new ATOM 0 HA ARG A 70 -13.701 -12.333 5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.665 -11.701 5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -16.008 -12.666 6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -15.471 -9.729 6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -16.356 -10.407 7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.381 -10.671 7.019 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.132 -9.810 8.348 1.00 0.00 H new ATOM 0 HE ARG A 70 -15.037 -12.409 8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.878 -10.860 8.369 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.048 -12.091 9.326 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.960 -14.001 9.891 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.223 -13.864 10.185 1.00 0.00 H new ATOM 1179 N GLU A 71 -15.722 -13.714 3.594 1.00 0.00 N ATOM 1180 CA GLU A 71 -16.044 -14.992 2.969 1.00 0.00 C ATOM 1181 C GLU A 71 -14.938 -15.409 2.004 1.00 0.00 C ATOM 1182 O GLU A 71 -14.979 -14.979 0.832 1.00 0.00 O ATOM 1183 CB GLU A 71 -17.388 -14.936 2.229 1.00 0.00 C ATOM 1184 CG GLU A 71 -18.602 -14.732 3.126 1.00 0.00 C ATOM 1185 CD GLU A 71 -18.749 -13.306 3.612 1.00 0.00 C ATOM 1186 OE1 GLU A 71 -18.980 -12.411 2.774 1.00 0.00 O ATOM 1187 OE2 GLU A 71 -18.640 -13.071 4.833 1.00 0.00 O ATOM 0 H GLU A 71 -16.194 -12.908 3.183 1.00 0.00 H new ATOM 0 HA GLU A 71 -16.125 -15.733 3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.352 -14.126 1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -17.518 -15.863 1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -19.501 -15.018 2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -18.526 -15.397 3.987 1.00 0.00 H new TER 1194 GLU A 71