USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0529) USER MOD Single : A 2 ASN : amide:sc= -1.39! C(o=-1.4!,f=-1.8!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -164:sc= -0.0832 (180deg=-0.6) USER MOD Single : A -4 LYS NZ :NH3+ -153:sc= -0.0628 (180deg=-0.485) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl -161:sc= -0.0895 (180deg=-0.594) USER MOD Single : A -7 MET N :NH3+ -168:sc= 0.271 (180deg=0.0936!) USER MOD Single : A 10 SER OG : rot 86:sc= 1.29 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 19 ASN : amide:sc=-0.00997 K(o=-0.01,f=-1.2!) USER MOD Single : A 20 SER OG : rot -4:sc= -0.201 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.65 K(o=0.65,f=-4.5!) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0324) USER MOD Single : A 31 THR OG1 : rot -51:sc= 1.26 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= 1.03 K(o=1,f=-5.6!) USER MOD Single : A 49 MET CE :methyl -140:sc= -0.0977 (180deg=-0.952) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= -0.0136 (180deg=-0.143) USER MOD Single : A 56 MET CE :methyl 167:sc= -0.0513 (180deg=-0.389) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 150:sc= 0.945 USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0802) USER MOD Single : A 63 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.0047) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -40.526 9.796 35.898 1.00 20.00 N ATOM 2 CA MET A -7 -40.156 8.568 35.155 1.00 20.00 C ATOM 3 C MET A -7 -41.350 7.625 35.033 1.00 20.00 C ATOM 4 O MET A -7 -41.235 6.538 34.463 1.00 20.00 O ATOM 5 CB MET A -7 -38.996 7.844 35.853 1.00 20.00 C ATOM 6 CG MET A -7 -39.362 7.263 37.211 1.00 20.00 C ATOM 7 SD MET A -7 -37.965 6.463 38.027 1.00 20.00 S ATOM 8 CE MET A -7 -37.577 5.161 36.858 1.00 20.00 C ATOM 0 H1 MET A -7 -39.772 10.504 35.795 1.00 20.00 H new ATOM 0 H2 MET A -7 -41.414 10.179 35.516 1.00 20.00 H new ATOM 0 H3 MET A -7 -40.652 9.568 36.905 1.00 20.00 H new ATOM 0 HA MET A -7 -39.841 8.866 34.155 1.00 20.00 H new ATOM 0 HB2 MET A -7 -38.641 7.040 35.208 1.00 20.00 H new ATOM 0 HB3 MET A -7 -38.168 8.541 35.978 1.00 20.00 H new ATOM 0 HG2 MET A -7 -39.744 8.059 37.851 1.00 20.00 H new ATOM 0 HG3 MET A -7 -40.168 6.539 37.087 1.00 20.00 H new ATOM 0 HE1 MET A -7 -36.984 4.392 37.353 1.00 20.00 H new ATOM 0 HE2 MET A -7 -38.501 4.721 36.483 1.00 20.00 H new ATOM 0 HE3 MET A -7 -37.009 5.577 36.025 1.00 20.00 H new ATOM 20 N ASP A -6 -42.497 8.039 35.569 1.00 20.00 N ATOM 21 CA ASP A -6 -43.697 7.211 35.529 1.00 20.00 C ATOM 22 C ASP A -6 -44.952 8.074 35.646 1.00 20.00 C ATOM 23 O ASP A -6 -45.947 7.832 34.964 1.00 20.00 O ATOM 24 CB ASP A -6 -43.668 6.146 36.642 1.00 20.00 C ATOM 25 CG ASP A -6 -43.957 6.701 38.025 1.00 20.00 C ATOM 26 OD1 ASP A -6 -43.031 7.249 38.658 1.00 20.00 O ATOM 27 OD2 ASP A -6 -45.112 6.585 38.484 1.00 20.00 O ATOM 0 H ASP A -6 -42.619 8.939 36.034 1.00 20.00 H new ATOM 0 HA ASP A -6 -43.720 6.698 34.568 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -44.399 5.372 36.411 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -42.689 5.668 36.649 1.00 20.00 H new ATOM 32 N TYR A -5 -44.898 9.082 36.504 1.00 20.00 N ATOM 33 CA TYR A -5 -46.027 9.979 36.702 1.00 20.00 C ATOM 34 C TYR A -5 -45.513 11.366 37.081 1.00 20.00 C ATOM 35 O TYR A -5 -46.131 12.101 37.848 1.00 20.00 O ATOM 36 CB TYR A -5 -46.971 9.423 37.780 1.00 20.00 C ATOM 37 CG TYR A -5 -48.317 10.119 37.841 1.00 20.00 C ATOM 38 CD1 TYR A -5 -49.180 10.106 36.749 1.00 20.00 C ATOM 39 CD2 TYR A -5 -48.727 10.786 38.989 1.00 20.00 C ATOM 40 CE1 TYR A -5 -50.406 10.740 36.802 1.00 20.00 C ATOM 41 CE2 TYR A -5 -49.953 11.420 39.048 1.00 20.00 C ATOM 42 CZ TYR A -5 -50.787 11.394 37.952 1.00 20.00 C ATOM 43 OH TYR A -5 -52.007 12.031 38.006 1.00 20.00 O ATOM 0 H TYR A -5 -44.082 9.300 37.076 1.00 20.00 H new ATOM 0 HA TYR A -5 -46.595 10.058 35.775 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -47.131 8.361 37.595 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -46.485 9.508 38.752 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -48.886 9.592 35.846 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -48.076 10.809 39.850 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -51.063 10.723 35.945 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -50.256 11.933 39.949 1.00 20.00 H new ATOM 0 HH TYR A -5 -52.123 12.442 38.888 1.00 20.00 H new ATOM 53 N LYS A -4 -44.366 11.712 36.527 1.00 20.00 N ATOM 54 CA LYS A -4 -43.754 13.009 36.754 1.00 20.00 C ATOM 55 C LYS A -4 -43.968 13.871 35.511 1.00 20.00 C ATOM 56 O LYS A -4 -43.028 14.417 34.931 1.00 20.00 O ATOM 57 CB LYS A -4 -42.261 12.817 37.076 1.00 20.00 C ATOM 58 CG LYS A -4 -41.473 14.104 37.271 1.00 20.00 C ATOM 59 CD LYS A -4 -40.019 13.812 37.598 1.00 20.00 C ATOM 60 CE LYS A -4 -39.095 14.896 37.067 1.00 20.00 C ATOM 61 NZ LYS A -4 -39.086 14.930 35.579 1.00 20.00 N ATOM 0 H LYS A -4 -43.832 11.103 35.907 1.00 20.00 H new ATOM 0 HA LYS A -4 -44.210 13.516 37.604 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -42.175 12.216 37.981 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -41.801 12.246 36.269 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -41.531 14.710 36.367 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -41.919 14.689 38.075 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -39.899 13.728 38.678 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -39.736 12.850 37.170 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -39.412 15.865 37.451 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -38.083 14.723 37.433 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -38.177 15.310 35.246 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -39.215 13.967 35.209 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -39.860 15.537 35.241 1.00 20.00 H new ATOM 75 N ASP A -3 -45.232 13.955 35.095 1.00 20.00 N ATOM 76 CA ASP A -3 -45.617 14.662 33.873 1.00 20.00 C ATOM 77 C ASP A -3 -44.917 14.031 32.667 1.00 20.00 C ATOM 78 O ASP A -3 -44.671 14.683 31.653 1.00 20.00 O ATOM 79 CB ASP A -3 -45.274 16.158 33.989 1.00 20.00 C ATOM 80 CG ASP A -3 -45.989 17.021 32.964 1.00 20.00 C ATOM 81 OD1 ASP A -3 -47.172 17.357 33.190 1.00 20.00 O ATOM 82 OD2 ASP A -3 -45.369 17.400 31.948 1.00 20.00 O ATOM 0 H ASP A -3 -46.016 13.536 35.594 1.00 20.00 H new ATOM 0 HA ASP A -3 -46.694 14.575 33.733 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -45.532 16.506 34.989 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -44.198 16.287 33.874 1.00 20.00 H new ATOM 87 N ASP A -2 -44.600 12.743 32.790 1.00 20.00 N ATOM 88 CA ASP A -2 -43.863 12.031 31.752 1.00 20.00 C ATOM 89 C ASP A -2 -44.789 11.662 30.605 1.00 20.00 C ATOM 90 O ASP A -2 -44.676 12.207 29.506 1.00 20.00 O ATOM 91 CB ASP A -2 -43.210 10.762 32.317 1.00 20.00 C ATOM 92 CG ASP A -2 -42.310 11.028 33.507 1.00 20.00 C ATOM 93 OD1 ASP A -2 -41.188 11.539 33.315 1.00 20.00 O ATOM 94 OD2 ASP A -2 -42.712 10.711 34.646 1.00 20.00 O ATOM 0 H ASP A -2 -44.843 12.172 33.600 1.00 20.00 H new ATOM 0 HA ASP A -2 -43.079 12.692 31.382 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -43.991 10.060 32.611 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -42.628 10.281 31.531 1.00 20.00 H new ATOM 99 N ASP A -1 -45.712 10.742 30.885 1.00 20.00 N ATOM 100 CA ASP A -1 -46.714 10.298 29.916 1.00 20.00 C ATOM 101 C ASP A -1 -46.071 9.827 28.617 1.00 20.00 C ATOM 102 O ASP A -1 -46.088 10.535 27.610 1.00 20.00 O ATOM 103 CB ASP A -1 -47.729 11.408 29.623 1.00 20.00 C ATOM 104 CG ASP A -1 -48.600 11.732 30.817 1.00 20.00 C ATOM 105 OD1 ASP A -1 -49.665 11.095 30.971 1.00 20.00 O ATOM 106 OD2 ASP A -1 -48.231 12.627 31.604 1.00 20.00 O ATOM 0 H ASP A -1 -45.786 10.282 31.793 1.00 20.00 H new ATOM 0 HA ASP A -1 -47.237 9.453 30.364 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -47.198 12.307 29.311 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -48.361 11.106 28.788 1.00 20.00 H new ATOM 111 N ASP A 0 -45.511 8.627 28.639 1.00 20.00 N ATOM 112 CA ASP A 0 -44.886 8.055 27.450 1.00 20.00 C ATOM 113 C ASP A 0 -45.940 7.719 26.405 1.00 20.00 C ATOM 114 O ASP A 0 -45.690 7.798 25.203 1.00 20.00 O ATOM 115 CB ASP A 0 -44.080 6.800 27.797 1.00 20.00 C ATOM 116 CG ASP A 0 -42.888 7.092 28.686 1.00 20.00 C ATOM 117 OD1 ASP A 0 -41.844 7.542 28.166 1.00 20.00 O ATOM 118 OD2 ASP A 0 -42.989 6.870 29.911 1.00 20.00 O ATOM 0 H ASP A 0 -45.475 8.029 29.465 1.00 20.00 H new ATOM 0 HA ASP A 0 -44.203 8.800 27.043 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -44.731 6.082 28.295 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -43.734 6.330 26.876 1.00 20.00 H new ATOM 123 N LYS A 1 -47.125 7.354 26.881 1.00 20.00 N ATOM 124 CA LYS A 1 -48.248 7.029 26.007 1.00 20.00 C ATOM 125 C LYS A 1 -49.049 8.289 25.679 1.00 20.00 C ATOM 126 O LYS A 1 -49.910 8.279 24.798 1.00 20.00 O ATOM 127 CB LYS A 1 -49.153 5.989 26.687 1.00 20.00 C ATOM 128 CG LYS A 1 -50.335 5.530 25.839 1.00 20.00 C ATOM 129 CD LYS A 1 -51.260 4.611 26.623 1.00 20.00 C ATOM 130 CE LYS A 1 -52.453 4.161 25.791 1.00 20.00 C ATOM 131 NZ LYS A 1 -52.054 3.277 24.664 1.00 20.00 N ATOM 0 H LYS A 1 -47.334 7.275 27.876 1.00 20.00 H new ATOM 0 HA LYS A 1 -47.862 6.612 25.077 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -48.551 5.119 26.951 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -49.532 6.409 27.619 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -50.893 6.399 25.491 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -49.969 5.010 24.954 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -50.703 3.737 26.961 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -51.614 5.128 27.515 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -53.161 3.634 26.430 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -52.970 5.036 25.398 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -52.905 2.902 24.199 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -51.496 3.822 23.976 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -51.482 2.488 25.027 1.00 20.00 H new ATOM 145 N ASN A 2 -48.736 9.376 26.384 1.00 20.00 N ATOM 146 CA ASN A 2 -49.486 10.630 26.276 1.00 20.00 C ATOM 147 C ASN A 2 -50.947 10.411 26.651 1.00 20.00 C ATOM 148 O ASN A 2 -51.328 10.578 27.808 1.00 20.00 O ATOM 149 CB ASN A 2 -49.369 11.233 24.867 1.00 20.00 C ATOM 150 CG ASN A 2 -47.974 11.749 24.563 1.00 20.00 C ATOM 151 OD1 ASN A 2 -47.503 11.669 23.429 1.00 20.00 O ATOM 152 ND2 ASN A 2 -47.309 12.303 25.567 1.00 20.00 N ATOM 0 H ASN A 2 -47.959 9.414 27.044 1.00 20.00 H new ATOM 0 HA ASN A 2 -49.051 11.343 26.977 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -49.641 10.478 24.130 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -50.084 12.050 24.765 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -46.374 12.681 25.413 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -47.732 12.351 26.494 1.00 20.00 H new ATOM 159 N ARG A 3 -51.753 10.018 25.679 1.00 20.00 N ATOM 160 CA ARG A 3 -53.142 9.663 25.926 1.00 20.00 C ATOM 161 C ARG A 3 -53.479 8.372 25.186 1.00 20.00 C ATOM 162 O ARG A 3 -53.955 7.406 25.783 1.00 20.00 O ATOM 163 CB ARG A 3 -54.079 10.795 25.483 1.00 20.00 C ATOM 164 CG ARG A 3 -53.782 12.132 26.147 1.00 20.00 C ATOM 165 CD ARG A 3 -54.736 13.216 25.676 1.00 20.00 C ATOM 166 NE ARG A 3 -56.109 12.954 26.092 1.00 20.00 N ATOM 167 CZ ARG A 3 -57.005 13.907 26.340 1.00 20.00 C ATOM 168 NH1 ARG A 3 -56.683 15.187 26.191 1.00 20.00 N ATOM 169 NH2 ARG A 3 -58.226 13.576 26.733 1.00 20.00 N ATOM 0 H ARG A 3 -51.467 9.936 24.703 1.00 20.00 H new ATOM 0 HA ARG A 3 -53.282 9.509 26.996 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -54.006 10.912 24.402 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -55.108 10.510 25.704 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -53.857 12.026 27.229 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -52.757 12.428 25.926 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -54.415 14.179 26.073 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -54.694 13.289 24.589 1.00 20.00 H new ATOM 0 HE ARG A 3 -56.400 11.982 26.199 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -55.745 15.445 25.885 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -57.374 15.912 26.383 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -58.477 12.594 26.845 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -58.915 14.303 26.924 1.00 20.00 H new ATOM 183 N ALA A 4 -53.206 8.359 23.887 1.00 20.00 N ATOM 184 CA ALA A 4 -53.441 7.185 23.059 1.00 20.00 C ATOM 185 C ALA A 4 -52.320 7.022 22.036 1.00 20.00 C ATOM 186 O ALA A 4 -52.507 6.422 20.976 1.00 20.00 O ATOM 187 CB ALA A 4 -54.788 7.295 22.361 1.00 20.00 C ATOM 0 H ALA A 4 -52.818 9.156 23.382 1.00 20.00 H new ATOM 0 HA ALA A 4 -53.453 6.303 23.699 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -54.952 6.411 21.745 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -55.579 7.369 23.107 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -54.799 8.184 21.730 1.00 20.00 H new ATOM 193 N LEU A 5 -51.152 7.553 22.366 1.00 20.00 N ATOM 194 CA LEU A 5 -50.005 7.515 21.472 1.00 20.00 C ATOM 195 C LEU A 5 -49.049 6.409 21.909 1.00 20.00 C ATOM 196 O LEU A 5 -48.495 6.458 23.004 1.00 20.00 O ATOM 197 CB LEU A 5 -49.305 8.885 21.472 1.00 20.00 C ATOM 198 CG LEU A 5 -48.170 9.077 20.453 1.00 20.00 C ATOM 199 CD1 LEU A 5 -48.014 10.551 20.119 1.00 20.00 C ATOM 200 CD2 LEU A 5 -46.853 8.535 20.989 1.00 20.00 C ATOM 0 H LEU A 5 -50.973 8.019 23.255 1.00 20.00 H new ATOM 0 HA LEU A 5 -50.335 7.299 20.456 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -50.058 9.652 21.292 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -48.901 9.062 22.469 1.00 20.00 H new ATOM 0 HG LEU A 5 -48.431 8.523 19.551 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -47.208 10.677 19.396 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -48.944 10.928 19.694 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -47.778 11.107 21.027 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -46.069 8.685 20.247 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -46.589 9.061 21.906 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -46.956 7.470 21.198 1.00 20.00 H new ATOM 212 N SER A 6 -48.887 5.402 21.064 1.00 20.00 N ATOM 213 CA SER A 6 -47.981 4.304 21.357 1.00 20.00 C ATOM 214 C SER A 6 -46.532 4.787 21.331 1.00 20.00 C ATOM 215 O SER A 6 -46.045 5.248 20.294 1.00 20.00 O ATOM 216 CB SER A 6 -48.176 3.176 20.343 1.00 20.00 C ATOM 217 OG SER A 6 -49.542 2.797 20.260 1.00 20.00 O ATOM 0 H SER A 6 -49.372 5.323 20.170 1.00 20.00 H new ATOM 0 HA SER A 6 -48.205 3.926 22.355 1.00 20.00 H new ATOM 0 HB2 SER A 6 -47.824 3.498 19.363 1.00 20.00 H new ATOM 0 HB3 SER A 6 -47.573 2.315 20.631 1.00 20.00 H new ATOM 0 HG SER A 6 -49.642 2.076 19.604 1.00 20.00 H new ATOM 223 N PRO A 7 -45.826 4.699 22.472 1.00 20.00 N ATOM 224 CA PRO A 7 -44.440 5.156 22.576 1.00 20.00 C ATOM 225 C PRO A 7 -43.499 4.303 21.734 1.00 20.00 C ATOM 226 O PRO A 7 -43.120 3.197 22.127 1.00 20.00 O ATOM 227 CB PRO A 7 -44.115 5.016 24.067 1.00 20.00 C ATOM 228 CG PRO A 7 -45.086 4.011 24.587 1.00 20.00 C ATOM 229 CD PRO A 7 -46.324 4.140 23.743 1.00 20.00 C ATOM 0 HA PRO A 7 -44.316 6.174 22.207 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -43.087 4.684 24.216 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -44.221 5.970 24.584 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -44.675 3.004 24.522 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -45.311 4.196 25.637 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -46.808 3.175 23.593 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -47.059 4.797 24.208 1.00 20.00 H new ATOM 237 N MET A 8 -43.138 4.816 20.570 1.00 20.00 N ATOM 238 CA MET A 8 -42.292 4.089 19.640 1.00 20.00 C ATOM 239 C MET A 8 -41.421 5.060 18.855 1.00 20.00 C ATOM 240 O MET A 8 -41.896 6.110 18.422 1.00 20.00 O ATOM 241 CB MET A 8 -43.157 3.269 18.681 1.00 20.00 C ATOM 242 CG MET A 8 -42.357 2.461 17.672 1.00 20.00 C ATOM 243 SD MET A 8 -43.400 1.678 16.426 1.00 20.00 S ATOM 244 CE MET A 8 -44.498 0.715 17.464 1.00 20.00 C ATOM 0 H MET A 8 -43.421 5.741 20.245 1.00 20.00 H new ATOM 0 HA MET A 8 -41.647 3.414 20.203 1.00 20.00 H new ATOM 0 HB2 MET A 8 -43.783 2.591 19.261 1.00 20.00 H new ATOM 0 HB3 MET A 8 -43.827 3.942 18.145 1.00 20.00 H new ATOM 0 HG2 MET A 8 -41.636 3.114 17.179 1.00 20.00 H new ATOM 0 HG3 MET A 8 -41.786 1.695 18.196 1.00 20.00 H new ATOM 0 HE1 MET A 8 -45.007 -0.034 16.858 1.00 20.00 H new ATOM 0 HE2 MET A 8 -43.920 0.219 18.244 1.00 20.00 H new ATOM 0 HE3 MET A 8 -45.236 1.373 17.922 1.00 20.00 H new ATOM 254 N VAL A 9 -40.154 4.707 18.678 1.00 20.00 N ATOM 255 CA VAL A 9 -39.215 5.553 17.951 1.00 20.00 C ATOM 256 C VAL A 9 -39.644 5.711 16.495 1.00 20.00 C ATOM 257 O VAL A 9 -39.470 4.802 15.681 1.00 20.00 O ATOM 258 CB VAL A 9 -37.778 4.991 17.998 1.00 20.00 C ATOM 259 CG1 VAL A 9 -36.819 5.872 17.210 1.00 20.00 C ATOM 260 CG2 VAL A 9 -37.302 4.849 19.436 1.00 20.00 C ATOM 0 H VAL A 9 -39.752 3.838 19.029 1.00 20.00 H new ATOM 0 HA VAL A 9 -39.222 6.526 18.443 1.00 20.00 H new ATOM 0 HB VAL A 9 -37.792 4.004 17.537 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -35.814 5.452 17.260 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -37.140 5.920 16.170 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -36.814 6.876 17.635 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -36.287 4.451 19.446 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -37.314 5.825 19.921 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -37.963 4.169 19.973 1.00 20.00 H new ATOM 270 N SER A 10 -40.204 6.868 16.178 1.00 20.00 N ATOM 271 CA SER A 10 -40.659 7.162 14.831 1.00 20.00 C ATOM 272 C SER A 10 -39.489 7.566 13.942 1.00 20.00 C ATOM 273 O SER A 10 -39.592 7.558 12.715 1.00 20.00 O ATOM 274 CB SER A 10 -41.711 8.275 14.866 1.00 20.00 C ATOM 275 OG SER A 10 -41.271 9.374 15.655 1.00 20.00 O ATOM 0 H SER A 10 -40.355 7.625 16.845 1.00 20.00 H new ATOM 0 HA SER A 10 -41.109 6.262 14.412 1.00 20.00 H new ATOM 0 HB2 SER A 10 -41.920 8.613 13.851 1.00 20.00 H new ATOM 0 HB3 SER A 10 -42.645 7.884 15.271 1.00 20.00 H new ATOM 0 HG SER A 10 -40.730 9.977 15.104 1.00 20.00 H new ATOM 281 N GLU A 11 -38.366 7.900 14.568 1.00 20.00 N ATOM 282 CA GLU A 11 -37.178 8.315 13.831 1.00 20.00 C ATOM 283 C GLU A 11 -36.377 7.095 13.383 1.00 20.00 C ATOM 284 O GLU A 11 -35.147 7.110 13.366 1.00 20.00 O ATOM 285 CB GLU A 11 -36.295 9.232 14.683 1.00 20.00 C ATOM 286 CG GLU A 11 -37.050 10.352 15.381 1.00 20.00 C ATOM 287 CD GLU A 11 -38.073 11.025 14.489 1.00 20.00 C ATOM 288 OE1 GLU A 11 -37.675 11.662 13.496 1.00 20.00 O ATOM 289 OE2 GLU A 11 -39.283 10.910 14.779 1.00 20.00 O ATOM 0 H GLU A 11 -38.253 7.892 15.582 1.00 20.00 H new ATOM 0 HA GLU A 11 -37.506 8.870 12.952 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -35.784 8.630 15.435 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -35.525 9.669 14.047 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -37.552 9.950 16.261 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -36.338 11.098 15.734 1.00 20.00 H new ATOM 296 N PHE A 12 -37.091 6.041 13.028 1.00 20.00 N ATOM 297 CA PHE A 12 -36.467 4.808 12.579 1.00 20.00 C ATOM 298 C PHE A 12 -36.162 4.903 11.089 1.00 20.00 C ATOM 299 O PHE A 12 -36.832 5.636 10.358 1.00 20.00 O ATOM 300 CB PHE A 12 -37.386 3.614 12.863 1.00 20.00 C ATOM 301 CG PHE A 12 -36.712 2.277 12.698 1.00 20.00 C ATOM 302 CD1 PHE A 12 -35.914 1.761 13.708 1.00 20.00 C ATOM 303 CD2 PHE A 12 -36.872 1.538 11.533 1.00 20.00 C ATOM 304 CE1 PHE A 12 -35.291 0.538 13.561 1.00 20.00 C ATOM 305 CE2 PHE A 12 -36.249 0.314 11.383 1.00 20.00 C ATOM 306 CZ PHE A 12 -35.457 -0.186 12.398 1.00 20.00 C ATOM 0 H PHE A 12 -38.111 6.015 13.042 1.00 20.00 H new ATOM 0 HA PHE A 12 -35.534 4.659 13.123 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -37.768 3.695 13.881 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -38.246 3.662 12.195 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -35.778 2.323 14.620 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -37.490 1.924 10.736 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -34.673 0.148 14.356 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -36.381 -0.252 10.472 1.00 20.00 H new ATOM 0 HZ PHE A 12 -34.968 -1.142 12.282 1.00 20.00 H new ATOM 316 N GLU A 13 -35.159 4.167 10.645 1.00 20.00 N ATOM 317 CA GLU A 13 -34.738 4.213 9.255 1.00 20.00 C ATOM 318 C GLU A 13 -34.306 2.829 8.781 1.00 20.00 C ATOM 319 O GLU A 13 -33.932 1.978 9.590 1.00 20.00 O ATOM 320 CB GLU A 13 -33.587 5.210 9.086 1.00 20.00 C ATOM 321 CG GLU A 13 -32.415 4.961 10.026 1.00 20.00 C ATOM 322 CD GLU A 13 -31.207 5.801 9.684 1.00 20.00 C ATOM 323 OE1 GLU A 13 -31.197 7.007 10.008 1.00 20.00 O ATOM 324 OE2 GLU A 13 -30.253 5.256 9.090 1.00 20.00 O ATOM 0 H GLU A 13 -34.619 3.528 11.228 1.00 20.00 H new ATOM 0 HA GLU A 13 -35.582 4.540 8.648 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -33.230 5.168 8.057 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -33.965 6.219 9.251 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -32.723 5.174 11.049 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -32.142 3.906 9.989 1.00 20.00 H new ATOM 331 N THR A 14 -34.362 2.605 7.477 1.00 20.00 N ATOM 332 CA THR A 14 -33.928 1.346 6.905 1.00 20.00 C ATOM 333 C THR A 14 -33.029 1.605 5.697 1.00 20.00 C ATOM 334 O THR A 14 -33.369 2.385 4.801 1.00 20.00 O ATOM 335 CB THR A 14 -35.126 0.442 6.516 1.00 20.00 C ATOM 336 OG1 THR A 14 -34.661 -0.851 6.108 1.00 20.00 O ATOM 337 CG2 THR A 14 -35.961 1.052 5.400 1.00 20.00 C ATOM 0 H THR A 14 -34.705 3.282 6.796 1.00 20.00 H new ATOM 0 HA THR A 14 -33.359 0.811 7.665 1.00 20.00 H new ATOM 0 HB THR A 14 -35.757 0.348 7.400 1.00 20.00 H new ATOM 0 HG1 THR A 14 -35.427 -1.413 5.866 1.00 20.00 H new ATOM 0 HG21 THR A 14 -36.789 0.385 5.159 1.00 20.00 H new ATOM 0 HG22 THR A 14 -36.353 2.016 5.724 1.00 20.00 H new ATOM 0 HG23 THR A 14 -35.339 1.192 4.516 1.00 20.00 H new ATOM 345 N ILE A 15 -31.864 0.983 5.702 1.00 20.00 N ATOM 346 CA ILE A 15 -30.895 1.168 4.637 1.00 20.00 C ATOM 347 C ILE A 15 -30.755 -0.107 3.819 1.00 20.00 C ATOM 348 O ILE A 15 -30.412 -1.168 4.346 1.00 20.00 O ATOM 349 CB ILE A 15 -29.515 1.567 5.199 1.00 20.00 C ATOM 350 CG1 ILE A 15 -29.627 2.837 6.045 1.00 20.00 C ATOM 351 CG2 ILE A 15 -28.519 1.771 4.066 1.00 20.00 C ATOM 352 CD1 ILE A 15 -28.321 3.260 6.675 1.00 20.00 C ATOM 0 H ILE A 15 -31.565 0.342 6.436 1.00 20.00 H new ATOM 0 HA ILE A 15 -31.259 1.973 3.999 1.00 20.00 H new ATOM 0 HB ILE A 15 -29.156 0.759 5.836 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -29.999 3.649 5.420 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -30.365 2.676 6.831 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -27.550 2.052 4.479 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -28.417 0.845 3.500 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -28.875 2.562 3.406 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -28.476 4.167 7.260 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -27.957 2.466 7.327 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -27.586 3.453 5.894 1.00 20.00 H new ATOM 364 N GLU A 16 -31.016 0.018 2.524 1.00 20.00 N ATOM 365 CA GLU A 16 -30.953 -1.107 1.604 1.00 20.00 C ATOM 366 C GLU A 16 -29.538 -1.670 1.532 1.00 20.00 C ATOM 367 O GLU A 16 -29.351 -2.878 1.420 1.00 20.00 O ATOM 368 CB GLU A 16 -31.419 -0.662 0.215 1.00 20.00 C ATOM 369 CG GLU A 16 -31.492 -1.785 -0.804 1.00 20.00 C ATOM 370 CD GLU A 16 -31.956 -1.303 -2.161 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.098 -0.905 -2.979 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.176 -1.322 -2.421 1.00 20.00 O ATOM 0 H GLU A 16 -31.277 0.901 2.084 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.611 -1.895 1.969 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.403 -0.202 0.304 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.740 0.106 -0.155 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.510 -2.247 -0.902 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.173 -2.556 -0.443 1.00 20.00 H new ATOM 379 N GLN A 17 -28.551 -0.785 1.626 1.00 20.00 N ATOM 380 CA GLN A 17 -27.146 -1.181 1.556 1.00 20.00 C ATOM 381 C GLN A 17 -26.763 -2.058 2.745 1.00 20.00 C ATOM 382 O GLN A 17 -25.908 -2.935 2.636 1.00 20.00 O ATOM 383 CB GLN A 17 -26.238 0.053 1.509 1.00 20.00 C ATOM 384 CG GLN A 17 -26.510 0.975 0.329 1.00 20.00 C ATOM 385 CD GLN A 17 -25.596 2.186 0.313 1.00 20.00 C ATOM 386 OE1 GLN A 17 -24.452 2.121 0.760 1.00 20.00 O ATOM 387 NE2 GLN A 17 -26.091 3.305 -0.196 1.00 20.00 N ATOM 0 H GLN A 17 -28.698 0.217 1.751 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.010 -1.757 0.641 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.360 0.617 2.434 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.199 -0.274 1.470 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.385 0.418 -0.599 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -27.547 1.308 0.364 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -27.044 3.323 -0.558 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -25.519 4.149 -0.226 1.00 20.00 H new ATOM 396 N GLU A 18 -27.414 -1.829 3.876 1.00 20.00 N ATOM 397 CA GLU A 18 -27.135 -2.598 5.082 1.00 20.00 C ATOM 398 C GLU A 18 -27.779 -3.975 4.996 1.00 20.00 C ATOM 399 O GLU A 18 -27.203 -4.974 5.431 1.00 20.00 O ATOM 400 CB GLU A 18 -27.639 -1.858 6.325 1.00 20.00 C ATOM 401 CG GLU A 18 -26.866 -0.585 6.636 1.00 20.00 C ATOM 402 CD GLU A 18 -25.411 -0.854 6.959 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.095 -1.076 8.147 1.00 20.00 O ATOM 404 OE2 GLU A 18 -24.577 -0.851 6.031 1.00 20.00 O ATOM 0 H GLU A 18 -28.138 -1.119 3.985 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.055 -2.720 5.165 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.691 -1.609 6.187 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.580 -2.527 7.184 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.926 0.091 5.783 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.334 -0.076 7.479 1.00 20.00 H new ATOM 411 N ASN A 19 -28.966 -4.028 4.408 1.00 20.00 N ATOM 412 CA ASN A 19 -29.696 -5.285 4.287 1.00 20.00 C ATOM 413 C ASN A 19 -29.136 -6.131 3.154 1.00 20.00 C ATOM 414 O ASN A 19 -29.172 -7.360 3.217 1.00 20.00 O ATOM 415 CB ASN A 19 -31.194 -5.042 4.074 1.00 20.00 C ATOM 416 CG ASN A 19 -31.875 -4.493 5.313 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.430 -4.730 6.437 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.971 -3.769 5.123 1.00 20.00 N ATOM 0 H ASN A 19 -29.443 -3.220 4.009 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.569 -5.828 5.224 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.332 -4.344 3.248 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.673 -5.977 3.784 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.475 -3.388 5.923 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.309 -3.594 4.177 1.00 20.00 H new ATOM 425 N SER A 20 -28.607 -5.481 2.123 1.00 20.00 N ATOM 426 CA SER A 20 -27.993 -6.199 1.015 1.00 20.00 C ATOM 427 C SER A 20 -26.658 -6.789 1.453 1.00 20.00 C ATOM 428 O SER A 20 -26.266 -7.869 1.008 1.00 20.00 O ATOM 429 CB SER A 20 -27.806 -5.274 -0.190 1.00 20.00 C ATOM 430 OG SER A 20 -27.066 -4.119 0.165 1.00 20.00 O ATOM 0 H SER A 20 -28.591 -4.465 2.032 1.00 20.00 H new ATOM 0 HA SER A 20 -28.654 -7.013 0.716 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.290 -5.810 -0.987 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.780 -4.980 -0.582 1.00 20.00 H new ATOM 0 HG SER A 20 -26.890 -4.127 1.129 1.00 20.00 H new ATOM 436 N TYR A 21 -25.969 -6.077 2.337 1.00 20.00 N ATOM 437 CA TYR A 21 -24.721 -6.567 2.906 1.00 20.00 C ATOM 438 C TYR A 21 -25.001 -7.738 3.840 1.00 20.00 C ATOM 439 O TYR A 21 -24.239 -8.702 3.891 1.00 20.00 O ATOM 440 CB TYR A 21 -23.990 -5.452 3.657 1.00 20.00 C ATOM 441 CG TYR A 21 -22.617 -5.853 4.155 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.532 -5.900 3.287 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.402 -6.178 5.491 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.277 -6.261 3.736 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.149 -6.541 5.944 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.091 -6.580 5.064 1.00 20.00 C ATOM 447 OH TYR A 21 -18.840 -6.938 5.511 1.00 20.00 O ATOM 0 H TYR A 21 -26.254 -5.158 2.675 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.079 -6.905 2.093 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.891 -4.588 3.000 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.598 -5.139 4.506 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.673 -5.650 2.246 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.229 -6.146 6.185 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.444 -6.293 3.049 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.000 -6.793 6.984 1.00 20.00 H new ATOM 0 HH TYR A 21 -18.878 -7.131 6.471 1.00 20.00 H new ATOM 457 N ASN A 22 -26.106 -7.652 4.571 1.00 20.00 N ATOM 458 CA ASN A 22 -26.530 -8.751 5.429 1.00 20.00 C ATOM 459 C ASN A 22 -26.926 -9.940 4.566 1.00 20.00 C ATOM 460 O ASN A 22 -26.643 -11.087 4.897 1.00 20.00 O ATOM 461 CB ASN A 22 -27.702 -8.338 6.324 1.00 20.00 C ATOM 462 CG ASN A 22 -28.079 -9.421 7.321 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.904 -10.289 7.035 1.00 20.00 O ATOM 464 ND2 ASN A 22 -27.477 -9.379 8.500 1.00 20.00 N ATOM 0 H ASN A 22 -26.721 -6.838 4.587 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.697 -9.026 6.077 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.441 -7.427 6.863 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.566 -8.104 5.702 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -27.692 -10.082 9.208 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -26.799 -8.644 8.700 1.00 20.00 H new ATOM 471 N GLU A 23 -27.560 -9.645 3.436 1.00 20.00 N ATOM 472 CA GLU A 23 -27.947 -10.664 2.471 1.00 20.00 C ATOM 473 C GLU A 23 -26.704 -11.344 1.903 1.00 20.00 C ATOM 474 O GLU A 23 -26.690 -12.552 1.661 1.00 20.00 O ATOM 475 CB GLU A 23 -28.769 -10.032 1.346 1.00 20.00 C ATOM 476 CG GLU A 23 -29.486 -11.042 0.471 1.00 20.00 C ATOM 477 CD GLU A 23 -30.444 -11.900 1.264 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.505 -11.386 1.684 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.147 -13.092 1.469 1.00 20.00 O ATOM 0 H GLU A 23 -27.819 -8.696 3.165 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.558 -11.415 2.971 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.504 -9.356 1.782 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.110 -9.428 0.722 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.033 -10.519 -0.313 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -28.752 -11.679 -0.023 1.00 20.00 H new ATOM 486 N TRP A 24 -25.661 -10.548 1.703 1.00 20.00 N ATOM 487 CA TRP A 24 -24.367 -11.051 1.268 1.00 20.00 C ATOM 488 C TRP A 24 -23.773 -11.967 2.338 1.00 20.00 C ATOM 489 O TRP A 24 -23.098 -12.948 2.030 1.00 20.00 O ATOM 490 CB TRP A 24 -23.429 -9.870 0.977 1.00 20.00 C ATOM 491 CG TRP A 24 -22.032 -10.264 0.596 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.600 -10.672 -0.632 1.00 20.00 C ATOM 493 CD2 TRP A 24 -20.883 -10.268 1.450 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.252 -10.932 -0.593 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.789 -10.694 0.675 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.672 -9.956 2.798 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.504 -10.814 1.202 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -19.397 -10.074 3.319 1.00 20.00 C ATOM 499 CH2 TRP A 24 -18.328 -10.501 2.523 1.00 20.00 C ATOM 0 H TRP A 24 -25.690 -9.537 1.838 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.491 -11.633 0.355 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.857 -9.272 0.172 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.385 -9.231 1.859 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -22.226 -10.775 -1.506 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.687 -11.251 -1.380 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.491 -9.629 3.421 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.677 -11.142 0.590 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.223 -9.833 4.357 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -17.344 -10.585 2.960 1.00 20.00 H new ATOM 510 N LEU A 25 -24.051 -11.652 3.595 1.00 20.00 N ATOM 511 CA LEU A 25 -23.538 -12.430 4.712 1.00 20.00 C ATOM 512 C LEU A 25 -24.349 -13.716 4.869 1.00 20.00 C ATOM 513 O LEU A 25 -23.804 -14.773 5.191 1.00 20.00 O ATOM 514 CB LEU A 25 -23.579 -11.584 5.997 1.00 20.00 C ATOM 515 CG LEU A 25 -22.513 -11.901 7.060 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.764 -13.249 7.717 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.118 -11.859 6.447 1.00 20.00 C ATOM 0 H LEU A 25 -24.632 -10.859 3.867 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.502 -12.707 4.519 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.482 -10.535 5.718 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.562 -11.703 6.453 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.580 -11.136 7.834 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.992 -13.440 8.462 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -23.741 -13.242 8.200 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -22.739 -14.033 6.960 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -20.377 -12.086 7.213 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.050 -12.596 5.647 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -20.928 -10.865 6.042 1.00 20.00 H new ATOM 529 N ARG A 26 -25.653 -13.627 4.611 1.00 20.00 N ATOM 530 CA ARG A 26 -26.533 -14.792 4.670 1.00 20.00 C ATOM 531 C ARG A 26 -26.085 -15.853 3.671 1.00 20.00 C ATOM 532 O ARG A 26 -26.314 -17.045 3.873 1.00 20.00 O ATOM 533 CB ARG A 26 -27.986 -14.400 4.379 1.00 20.00 C ATOM 534 CG ARG A 26 -28.587 -13.432 5.383 1.00 20.00 C ATOM 535 CD ARG A 26 -28.630 -14.018 6.785 1.00 20.00 C ATOM 536 NE ARG A 26 -29.234 -13.089 7.737 1.00 20.00 N ATOM 537 CZ ARG A 26 -29.626 -13.423 8.964 1.00 20.00 C ATOM 538 NH1 ARG A 26 -29.469 -14.664 9.406 1.00 20.00 N ATOM 539 NH2 ARG A 26 -30.174 -12.510 9.752 1.00 20.00 N ATOM 0 H ARG A 26 -26.124 -12.758 4.359 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.474 -15.199 5.679 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.037 -13.953 3.386 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.595 -15.303 4.354 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.003 -12.511 5.393 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.597 -13.166 5.070 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.197 -14.949 6.774 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -27.619 -14.265 7.108 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.364 -12.121 7.442 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -29.045 -15.370 8.804 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -29.772 -14.912 10.348 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.295 -11.554 9.418 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -30.475 -12.763 10.693 1.00 20.00 H new ATOM 553 N ALA A 27 -25.437 -15.407 2.601 1.00 20.00 N ATOM 554 CA ALA A 27 -24.908 -16.306 1.586 1.00 20.00 C ATOM 555 C ALA A 27 -23.807 -17.186 2.158 1.00 20.00 C ATOM 556 O ALA A 27 -23.588 -18.305 1.702 1.00 20.00 O ATOM 557 CB ALA A 27 -24.379 -15.514 0.407 1.00 20.00 C ATOM 0 H ALA A 27 -25.265 -14.419 2.415 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.720 -16.949 1.248 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.986 -16.199 -0.345 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.186 -14.924 -0.026 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.583 -14.849 0.743 1.00 20.00 H new ATOM 563 N LYS A 28 -23.123 -16.671 3.168 1.00 20.00 N ATOM 564 CA LYS A 28 -22.036 -17.399 3.803 1.00 20.00 C ATOM 565 C LYS A 28 -22.588 -18.377 4.835 1.00 20.00 C ATOM 566 O LYS A 28 -22.049 -19.467 5.028 1.00 20.00 O ATOM 567 CB LYS A 28 -21.047 -16.421 4.455 1.00 20.00 C ATOM 568 CG LYS A 28 -19.875 -17.095 5.167 1.00 20.00 C ATOM 569 CD LYS A 28 -19.070 -17.989 4.230 1.00 20.00 C ATOM 570 CE LYS A 28 -18.469 -17.215 3.061 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.464 -16.217 3.510 1.00 20.00 N ATOM 0 H LYS A 28 -23.302 -15.749 3.566 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.502 -17.968 3.041 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.656 -15.753 3.688 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.586 -15.802 5.172 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.221 -16.332 5.589 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -20.251 -17.689 6.000 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.271 -18.472 4.791 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.713 -18.781 3.846 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.001 -17.913 2.367 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -19.265 -16.708 2.515 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.996 -15.798 2.681 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.938 -15.469 4.055 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -16.754 -16.685 4.109 1.00 20.00 H new ATOM 585 N VAL A 29 -23.671 -17.980 5.488 1.00 20.00 N ATOM 586 CA VAL A 29 -24.328 -18.829 6.471 1.00 20.00 C ATOM 587 C VAL A 29 -25.070 -19.972 5.786 1.00 20.00 C ATOM 588 O VAL A 29 -24.882 -21.143 6.122 1.00 20.00 O ATOM 589 CB VAL A 29 -25.318 -18.029 7.345 1.00 20.00 C ATOM 590 CG1 VAL A 29 -26.036 -18.942 8.329 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.599 -16.909 8.081 1.00 20.00 C ATOM 0 H VAL A 29 -24.115 -17.071 5.354 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.548 -19.235 7.115 1.00 20.00 H new ATOM 0 HB VAL A 29 -26.066 -17.585 6.688 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.727 -18.354 8.933 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -26.590 -19.704 7.781 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.305 -19.423 8.979 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.314 -16.357 8.691 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.826 -17.333 8.722 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.142 -16.234 7.358 1.00 20.00 H new ATOM 601 N ALA A 30 -25.897 -19.627 4.811 1.00 20.00 N ATOM 602 CA ALA A 30 -26.703 -20.607 4.109 1.00 20.00 C ATOM 603 C ALA A 30 -26.406 -20.577 2.614 1.00 20.00 C ATOM 604 O ALA A 30 -27.190 -20.049 1.822 1.00 20.00 O ATOM 605 CB ALA A 30 -28.180 -20.356 4.370 1.00 20.00 C ATOM 0 H ALA A 30 -26.026 -18.668 4.488 1.00 20.00 H new ATOM 0 HA ALA A 30 -26.449 -21.599 4.483 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -28.775 -21.098 3.838 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -28.378 -20.431 5.439 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -28.447 -19.359 4.021 1.00 20.00 H new ATOM 611 N THR A 31 -25.268 -21.139 2.235 1.00 20.00 N ATOM 612 CA THR A 31 -24.855 -21.166 0.841 1.00 20.00 C ATOM 613 C THR A 31 -25.735 -22.116 0.029 1.00 20.00 C ATOM 614 O THR A 31 -26.227 -21.761 -1.042 1.00 20.00 O ATOM 615 CB THR A 31 -23.375 -21.581 0.717 1.00 20.00 C ATOM 616 OG1 THR A 31 -22.569 -20.740 1.554 1.00 20.00 O ATOM 617 CG2 THR A 31 -22.894 -21.472 -0.719 1.00 20.00 C ATOM 0 H THR A 31 -24.612 -21.584 2.877 1.00 20.00 H new ATOM 0 HA THR A 31 -24.970 -20.159 0.440 1.00 20.00 H new ATOM 0 HB THR A 31 -23.284 -22.620 1.033 1.00 20.00 H new ATOM 0 HG1 THR A 31 -22.781 -19.800 1.374 1.00 20.00 H new ATOM 0 HG21 THR A 31 -21.847 -21.771 -0.776 1.00 20.00 H new ATOM 0 HG22 THR A 31 -23.493 -22.125 -1.354 1.00 20.00 H new ATOM 0 HG23 THR A 31 -22.996 -20.442 -1.060 1.00 20.00 H new ATOM 625 N SER A 32 -25.949 -23.314 0.553 1.00 20.00 N ATOM 626 CA SER A 32 -26.803 -24.295 -0.102 1.00 20.00 C ATOM 627 C SER A 32 -27.412 -25.223 0.947 1.00 20.00 C ATOM 628 O SER A 32 -27.137 -26.422 0.975 1.00 20.00 O ATOM 629 CB SER A 32 -26.000 -25.097 -1.136 1.00 20.00 C ATOM 630 OG SER A 32 -26.851 -25.852 -1.985 1.00 20.00 O ATOM 0 H SER A 32 -25.542 -23.631 1.433 1.00 20.00 H new ATOM 0 HA SER A 32 -27.607 -23.779 -0.626 1.00 20.00 H new ATOM 0 HB2 SER A 32 -25.396 -24.417 -1.736 1.00 20.00 H new ATOM 0 HB3 SER A 32 -25.310 -25.767 -0.622 1.00 20.00 H new ATOM 0 HG SER A 32 -26.309 -26.350 -2.632 1.00 20.00 H new ATOM 636 N LEU A 33 -28.235 -24.655 1.817 1.00 20.00 N ATOM 637 CA LEU A 33 -28.817 -25.409 2.921 1.00 20.00 C ATOM 638 C LEU A 33 -30.307 -25.639 2.704 1.00 20.00 C ATOM 639 O LEU A 33 -31.043 -25.923 3.655 1.00 20.00 O ATOM 640 CB LEU A 33 -28.600 -24.670 4.245 1.00 20.00 C ATOM 641 CG LEU A 33 -27.141 -24.399 4.627 1.00 20.00 C ATOM 642 CD1 LEU A 33 -27.073 -23.655 5.952 1.00 20.00 C ATOM 643 CD2 LEU A 33 -26.349 -25.697 4.713 1.00 20.00 C ATOM 0 H LEU A 33 -28.515 -23.675 1.781 1.00 20.00 H new ATOM 0 HA LEU A 33 -28.318 -26.377 2.961 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -29.126 -23.717 4.198 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -29.063 -25.250 5.043 1.00 20.00 H new ATOM 0 HG LEU A 33 -26.696 -23.779 3.848 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -26.031 -23.469 6.212 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -27.600 -22.705 5.863 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -27.539 -24.257 6.732 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -25.317 -25.476 4.986 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -26.793 -26.345 5.469 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -26.369 -26.200 3.746 1.00 20.00 H new ATOM 655 N ALA A 34 -30.747 -25.514 1.459 1.00 20.00 N ATOM 656 CA ALA A 34 -32.146 -25.740 1.118 1.00 20.00 C ATOM 657 C ALA A 34 -32.450 -27.233 1.106 1.00 20.00 C ATOM 658 O ALA A 34 -32.350 -27.895 0.072 1.00 20.00 O ATOM 659 CB ALA A 34 -32.480 -25.108 -0.225 1.00 20.00 C ATOM 0 H ALA A 34 -30.156 -25.257 0.668 1.00 20.00 H new ATOM 0 HA ALA A 34 -32.770 -25.267 1.876 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -33.529 -25.288 -0.461 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -32.298 -24.034 -0.177 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -31.853 -25.548 -1.000 1.00 20.00 H new ATOM 665 N ASP A 35 -32.805 -27.759 2.265 1.00 20.00 N ATOM 666 CA ASP A 35 -33.050 -29.183 2.426 1.00 20.00 C ATOM 667 C ASP A 35 -34.369 -29.411 3.154 1.00 20.00 C ATOM 668 O ASP A 35 -34.563 -28.920 4.267 1.00 20.00 O ATOM 669 CB ASP A 35 -31.895 -29.828 3.195 1.00 20.00 C ATOM 670 CG ASP A 35 -32.198 -31.246 3.624 1.00 20.00 C ATOM 671 OD1 ASP A 35 -32.741 -31.425 4.730 1.00 20.00 O ATOM 672 OD2 ASP A 35 -31.887 -32.187 2.864 1.00 20.00 O ATOM 0 H ASP A 35 -32.931 -27.215 3.118 1.00 20.00 H new ATOM 0 HA ASP A 35 -33.115 -29.645 1.441 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -31.002 -29.825 2.570 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -31.670 -29.227 4.076 1.00 20.00 H new ATOM 677 N PRO A 36 -35.302 -30.144 2.528 1.00 20.00 N ATOM 678 CA PRO A 36 -36.637 -30.374 3.078 1.00 20.00 C ATOM 679 C PRO A 36 -36.735 -31.609 3.981 1.00 20.00 C ATOM 680 O PRO A 36 -37.836 -32.086 4.265 1.00 20.00 O ATOM 681 CB PRO A 36 -37.468 -30.578 1.815 1.00 20.00 C ATOM 682 CG PRO A 36 -36.538 -31.255 0.863 1.00 20.00 C ATOM 683 CD PRO A 36 -35.143 -30.785 1.208 1.00 20.00 C ATOM 0 HA PRO A 36 -36.956 -29.555 3.722 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -38.348 -31.190 2.013 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -37.823 -29.628 1.415 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -36.614 -32.339 0.953 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -36.788 -31.002 -0.167 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -34.440 -31.617 1.250 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -34.763 -30.083 0.466 1.00 20.00 H new ATOM 691 N ARG A 37 -35.604 -32.125 4.439 1.00 20.00 N ATOM 692 CA ARG A 37 -35.611 -33.310 5.291 1.00 20.00 C ATOM 693 C ARG A 37 -34.563 -33.220 6.395 1.00 20.00 C ATOM 694 O ARG A 37 -33.425 -33.659 6.227 1.00 20.00 O ATOM 695 CB ARG A 37 -35.396 -34.580 4.462 1.00 20.00 C ATOM 696 CG ARG A 37 -34.273 -34.476 3.445 1.00 20.00 C ATOM 697 CD ARG A 37 -33.930 -35.832 2.855 1.00 20.00 C ATOM 698 NE ARG A 37 -35.091 -36.481 2.249 1.00 20.00 N ATOM 699 CZ ARG A 37 -35.113 -37.759 1.878 1.00 20.00 C ATOM 700 NH1 ARG A 37 -34.035 -38.519 2.035 1.00 20.00 N ATOM 701 NH2 ARG A 37 -36.211 -38.279 1.346 1.00 20.00 N ATOM 0 H ARG A 37 -34.677 -31.748 4.239 1.00 20.00 H new ATOM 0 HA ARG A 37 -36.592 -33.359 5.764 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -35.185 -35.410 5.137 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -36.322 -34.821 3.941 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -34.566 -33.794 2.647 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -33.389 -34.050 3.920 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -33.150 -35.712 2.103 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -33.524 -36.474 3.637 1.00 20.00 H new ATOM 0 HE ARG A 37 -35.932 -35.923 2.102 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -33.187 -38.124 2.441 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -34.055 -39.498 1.750 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -37.041 -37.699 1.220 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -36.226 -39.259 1.062 1.00 20.00 H new ATOM 715 N PRO A 38 -34.939 -32.649 7.549 1.00 20.00 N ATOM 716 CA PRO A 38 -34.054 -32.571 8.710 1.00 20.00 C ATOM 717 C PRO A 38 -33.624 -33.961 9.159 1.00 20.00 C ATOM 718 O PRO A 38 -34.435 -34.740 9.670 1.00 20.00 O ATOM 719 CB PRO A 38 -34.910 -31.900 9.788 1.00 20.00 C ATOM 720 CG PRO A 38 -36.019 -31.229 9.051 1.00 20.00 C ATOM 721 CD PRO A 38 -36.254 -32.044 7.811 1.00 20.00 C ATOM 0 HA PRO A 38 -33.137 -32.022 8.497 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -35.296 -32.633 10.496 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -34.327 -31.180 10.361 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -36.920 -31.183 9.662 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -35.753 -30.203 8.797 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -37.021 -32.802 7.967 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -36.584 -31.423 6.978 1.00 20.00 H new ATOM 729 N ALA A 39 -32.356 -34.274 8.942 1.00 20.00 N ATOM 730 CA ALA A 39 -31.824 -35.590 9.240 1.00 20.00 C ATOM 731 C ALA A 39 -31.728 -35.816 10.738 1.00 20.00 C ATOM 732 O ALA A 39 -30.915 -35.187 11.420 1.00 20.00 O ATOM 733 CB ALA A 39 -30.464 -35.766 8.590 1.00 20.00 C ATOM 0 H ALA A 39 -31.671 -33.624 8.556 1.00 20.00 H new ATOM 0 HA ALA A 39 -32.509 -36.333 8.832 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -30.076 -36.758 8.821 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -30.560 -35.657 7.510 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -29.778 -35.010 8.971 1.00 20.00 H new ATOM 739 N ILE A 40 -32.562 -36.711 11.241 1.00 20.00 N ATOM 740 CA ILE A 40 -32.577 -37.028 12.657 1.00 20.00 C ATOM 741 C ILE A 40 -31.778 -38.297 12.924 1.00 20.00 C ATOM 742 O ILE A 40 -32.183 -39.392 12.523 1.00 20.00 O ATOM 743 CB ILE A 40 -34.011 -37.219 13.192 1.00 20.00 C ATOM 744 CG1 ILE A 40 -34.869 -35.988 12.886 1.00 20.00 C ATOM 745 CG2 ILE A 40 -33.979 -37.492 14.689 1.00 20.00 C ATOM 746 CD1 ILE A 40 -36.299 -36.113 13.360 1.00 20.00 C ATOM 0 H ILE A 40 -33.240 -37.232 10.686 1.00 20.00 H new ATOM 0 HA ILE A 40 -32.125 -36.183 13.176 1.00 20.00 H new ATOM 0 HB ILE A 40 -34.459 -38.077 12.691 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -34.415 -35.114 13.354 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -34.866 -35.812 11.810 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -34.997 -37.625 15.056 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -33.402 -38.397 14.882 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -33.515 -36.650 15.203 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -36.846 -35.204 13.109 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -36.770 -36.967 12.873 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -36.313 -36.258 14.440 1.00 20.00 H new ATOM 758 N PRO A 41 -30.630 -38.166 13.593 1.00 20.00 N ATOM 759 CA PRO A 41 -29.814 -39.311 13.963 1.00 20.00 C ATOM 760 C PRO A 41 -30.408 -40.033 15.169 1.00 20.00 C ATOM 761 O PRO A 41 -30.702 -39.412 16.191 1.00 20.00 O ATOM 762 CB PRO A 41 -28.458 -38.688 14.306 1.00 20.00 C ATOM 763 CG PRO A 41 -28.753 -37.282 14.710 1.00 20.00 C ATOM 764 CD PRO A 41 -30.054 -36.891 14.051 1.00 20.00 C ATOM 0 HA PRO A 41 -29.747 -40.060 13.174 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -27.969 -39.233 15.113 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -27.785 -38.717 13.449 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -28.832 -37.202 15.794 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -27.949 -36.616 14.399 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -30.718 -36.384 14.751 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -29.888 -36.208 13.218 1.00 20.00 H new ATOM 772 N HIS A 42 -30.594 -41.343 15.047 1.00 20.00 N ATOM 773 CA HIS A 42 -31.201 -42.127 16.121 1.00 20.00 C ATOM 774 C HIS A 42 -30.320 -42.104 17.363 1.00 20.00 C ATOM 775 O HIS A 42 -30.795 -42.312 18.476 1.00 20.00 O ATOM 776 CB HIS A 42 -31.472 -43.579 15.685 1.00 20.00 C ATOM 777 CG HIS A 42 -30.240 -44.383 15.386 1.00 20.00 C ATOM 778 ND1 HIS A 42 -29.635 -45.206 16.314 1.00 20.00 N ATOM 779 CD2 HIS A 42 -29.503 -44.492 14.256 1.00 20.00 C ATOM 780 CE1 HIS A 42 -28.581 -45.781 15.767 1.00 20.00 C ATOM 781 NE2 HIS A 42 -28.478 -45.365 14.522 1.00 20.00 N ATOM 0 H HIS A 42 -30.336 -41.883 14.221 1.00 20.00 H new ATOM 0 HA HIS A 42 -32.161 -41.668 16.358 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -32.035 -44.081 16.471 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -32.105 -43.566 14.798 1.00 20.00 H new ATOM 0 HD1 HIS A 42 -29.953 -45.348 17.273 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -29.687 -43.986 13.320 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -27.915 -46.476 16.258 1.00 20.00 H new ATOM 790 N ASP A 43 -29.034 -41.838 17.158 1.00 20.00 N ATOM 791 CA ASP A 43 -28.089 -41.724 18.263 1.00 20.00 C ATOM 792 C ASP A 43 -28.428 -40.515 19.131 1.00 20.00 C ATOM 793 O ASP A 43 -28.255 -40.545 20.345 1.00 20.00 O ATOM 794 CB ASP A 43 -26.653 -41.629 17.734 1.00 20.00 C ATOM 795 CG ASP A 43 -25.620 -41.504 18.837 1.00 20.00 C ATOM 796 OD1 ASP A 43 -25.583 -42.375 19.729 1.00 20.00 O ATOM 797 OD2 ASP A 43 -24.816 -40.547 18.795 1.00 20.00 O ATOM 0 H ASP A 43 -28.622 -41.697 16.236 1.00 20.00 H new ATOM 0 HA ASP A 43 -28.166 -42.620 18.879 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -26.433 -42.514 17.137 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -26.573 -40.768 17.070 1.00 20.00 H new ATOM 802 N GLU A 44 -28.949 -39.465 18.500 1.00 20.00 N ATOM 803 CA GLU A 44 -29.382 -38.271 19.220 1.00 20.00 C ATOM 804 C GLU A 44 -30.595 -38.597 20.085 1.00 20.00 C ATOM 805 O GLU A 44 -30.696 -38.160 21.231 1.00 20.00 O ATOM 806 CB GLU A 44 -29.722 -37.147 18.230 1.00 20.00 C ATOM 807 CG GLU A 44 -30.292 -35.896 18.881 1.00 20.00 C ATOM 808 CD GLU A 44 -30.774 -34.876 17.867 1.00 20.00 C ATOM 809 OE1 GLU A 44 -29.933 -34.158 17.286 1.00 20.00 O ATOM 810 OE2 GLU A 44 -31.998 -34.782 17.644 1.00 20.00 O ATOM 0 H GLU A 44 -29.081 -39.417 17.490 1.00 20.00 H new ATOM 0 HA GLU A 44 -28.570 -37.933 19.863 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -28.821 -36.878 17.679 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -30.440 -37.524 17.502 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -31.121 -36.175 19.531 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -29.530 -35.441 19.514 1.00 20.00 H new ATOM 817 N VAL A 45 -31.499 -39.389 19.531 1.00 20.00 N ATOM 818 CA VAL A 45 -32.707 -39.786 20.234 1.00 20.00 C ATOM 819 C VAL A 45 -32.374 -40.700 21.407 1.00 20.00 C ATOM 820 O VAL A 45 -32.796 -40.457 22.536 1.00 20.00 O ATOM 821 CB VAL A 45 -33.693 -40.503 19.289 1.00 20.00 C ATOM 822 CG1 VAL A 45 -34.948 -40.939 20.032 1.00 20.00 C ATOM 823 CG2 VAL A 45 -34.049 -39.606 18.116 1.00 20.00 C ATOM 0 H VAL A 45 -31.417 -39.772 18.589 1.00 20.00 H new ATOM 0 HA VAL A 45 -33.178 -38.878 20.609 1.00 20.00 H new ATOM 0 HB VAL A 45 -33.204 -41.399 18.906 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -35.624 -41.441 19.340 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -34.676 -41.624 20.835 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -35.444 -40.064 20.453 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -34.745 -40.126 17.458 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -34.513 -38.691 18.485 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -33.144 -39.356 17.562 1.00 20.00 H new ATOM 833 N GLU A 46 -31.594 -41.735 21.137 1.00 20.00 N ATOM 834 CA GLU A 46 -31.254 -42.726 22.153 1.00 20.00 C ATOM 835 C GLU A 46 -30.332 -42.147 23.222 1.00 20.00 C ATOM 836 O GLU A 46 -30.303 -42.631 24.353 1.00 20.00 O ATOM 837 CB GLU A 46 -30.606 -43.955 21.516 1.00 20.00 C ATOM 838 CG GLU A 46 -31.497 -44.652 20.502 1.00 20.00 C ATOM 839 CD GLU A 46 -30.846 -45.877 19.906 1.00 20.00 C ATOM 840 OE1 GLU A 46 -30.877 -46.943 20.553 1.00 20.00 O ATOM 841 OE2 GLU A 46 -30.301 -45.785 18.786 1.00 20.00 O ATOM 0 H GLU A 46 -31.182 -41.913 20.221 1.00 20.00 H new ATOM 0 HA GLU A 46 -32.185 -43.024 22.636 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -29.679 -43.655 21.028 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -30.339 -44.663 22.301 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -32.433 -44.939 20.982 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -31.749 -43.954 19.704 1.00 20.00 H new ATOM 848 N ARG A 47 -29.566 -41.131 22.865 1.00 20.00 N ATOM 849 CA ARG A 47 -28.699 -40.470 23.828 1.00 20.00 C ATOM 850 C ARG A 47 -29.459 -39.395 24.602 1.00 20.00 C ATOM 851 O ARG A 47 -29.676 -39.518 25.807 1.00 20.00 O ATOM 852 CB ARG A 47 -27.483 -39.852 23.133 1.00 20.00 C ATOM 853 CG ARG A 47 -26.575 -39.077 24.073 1.00 20.00 C ATOM 854 CD ARG A 47 -25.422 -38.421 23.335 1.00 20.00 C ATOM 855 NE ARG A 47 -24.606 -37.600 24.227 1.00 20.00 N ATOM 856 CZ ARG A 47 -23.681 -36.739 23.808 1.00 20.00 C ATOM 857 NH1 ARG A 47 -23.432 -36.600 22.512 1.00 20.00 N ATOM 858 NH2 ARG A 47 -23.005 -36.015 24.690 1.00 20.00 N ATOM 0 H ARG A 47 -29.526 -40.746 21.921 1.00 20.00 H new ATOM 0 HA ARG A 47 -28.353 -41.226 24.533 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -26.907 -40.644 22.655 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -27.827 -39.186 22.342 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -27.156 -38.314 24.591 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -26.182 -39.750 24.835 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -24.799 -39.189 22.876 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -25.812 -37.803 22.527 1.00 20.00 H new ATOM 0 HE ARG A 47 -24.754 -37.692 25.232 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -23.951 -37.154 21.831 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -22.722 -35.939 22.197 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -23.194 -36.119 25.687 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -22.296 -35.355 24.371 1.00 20.00 H new ATOM 872 N ARG A 48 -29.887 -38.362 23.891 1.00 20.00 N ATOM 873 CA ARG A 48 -30.452 -37.176 24.519 1.00 20.00 C ATOM 874 C ARG A 48 -31.909 -37.387 24.906 1.00 20.00 C ATOM 875 O ARG A 48 -32.270 -37.278 26.078 1.00 20.00 O ATOM 876 CB ARG A 48 -30.336 -35.986 23.563 1.00 20.00 C ATOM 877 CG ARG A 48 -30.685 -34.646 24.190 1.00 20.00 C ATOM 878 CD ARG A 48 -30.680 -33.534 23.152 1.00 20.00 C ATOM 879 NE ARG A 48 -29.434 -33.501 22.384 1.00 20.00 N ATOM 880 CZ ARG A 48 -29.335 -33.020 21.145 1.00 20.00 C ATOM 881 NH1 ARG A 48 -30.402 -32.506 20.542 1.00 20.00 N ATOM 882 NH2 ARG A 48 -28.169 -33.044 20.511 1.00 20.00 N ATOM 0 H ARG A 48 -29.853 -38.321 22.872 1.00 20.00 H new ATOM 0 HA ARG A 48 -29.890 -36.976 25.431 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -29.317 -35.940 23.180 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -30.991 -36.156 22.708 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -31.668 -34.706 24.658 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -29.970 -34.414 24.979 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -31.521 -33.670 22.472 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -30.824 -32.575 23.649 1.00 20.00 H new ATOM 0 HE ARG A 48 -28.590 -33.868 22.824 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -31.299 -32.479 21.027 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -30.324 -32.138 19.594 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -27.346 -33.431 20.972 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -28.096 -32.675 19.563 1.00 20.00 H new ATOM 896 N MET A 49 -32.739 -37.703 23.919 1.00 20.00 N ATOM 897 CA MET A 49 -34.177 -37.810 24.134 1.00 20.00 C ATOM 898 C MET A 49 -34.519 -38.908 25.130 1.00 20.00 C ATOM 899 O MET A 49 -35.450 -38.767 25.913 1.00 20.00 O ATOM 900 CB MET A 49 -34.906 -38.044 22.814 1.00 20.00 C ATOM 901 CG MET A 49 -34.873 -36.839 21.893 1.00 20.00 C ATOM 902 SD MET A 49 -35.611 -35.370 22.639 1.00 20.00 S ATOM 903 CE MET A 49 -37.299 -35.918 22.882 1.00 20.00 C ATOM 0 H MET A 49 -32.441 -37.890 22.962 1.00 20.00 H new ATOM 0 HA MET A 49 -34.512 -36.863 24.557 1.00 20.00 H new ATOM 0 HB2 MET A 49 -34.456 -38.896 22.304 1.00 20.00 H new ATOM 0 HB3 MET A 49 -35.943 -38.307 23.021 1.00 20.00 H new ATOM 0 HG2 MET A 49 -33.840 -36.623 21.621 1.00 20.00 H new ATOM 0 HG3 MET A 49 -35.402 -37.078 20.970 1.00 20.00 H new ATOM 0 HE1 MET A 49 -37.984 -35.105 22.642 1.00 20.00 H new ATOM 0 HE2 MET A 49 -37.503 -36.768 22.231 1.00 20.00 H new ATOM 0 HE3 MET A 49 -37.439 -36.215 23.921 1.00 20.00 H new ATOM 913 N ALA A 50 -33.757 -39.994 25.105 1.00 20.00 N ATOM 914 CA ALA A 50 -33.954 -41.086 26.050 1.00 20.00 C ATOM 915 C ALA A 50 -33.813 -40.598 27.487 1.00 20.00 C ATOM 916 O ALA A 50 -34.616 -40.950 28.354 1.00 20.00 O ATOM 917 CB ALA A 50 -32.973 -42.209 25.779 1.00 20.00 C ATOM 0 H ALA A 50 -32.997 -40.142 24.441 1.00 20.00 H new ATOM 0 HA ALA A 50 -34.967 -41.466 25.916 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -33.136 -43.015 26.495 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -33.122 -42.586 24.767 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -31.954 -41.834 25.880 1.00 20.00 H new ATOM 923 N GLU A 51 -32.807 -39.768 27.731 1.00 20.00 N ATOM 924 CA GLU A 51 -32.584 -39.213 29.059 1.00 20.00 C ATOM 925 C GLU A 51 -33.666 -38.192 29.395 1.00 20.00 C ATOM 926 O GLU A 51 -33.929 -37.908 30.563 1.00 20.00 O ATOM 927 CB GLU A 51 -31.202 -38.567 29.154 1.00 20.00 C ATOM 928 CG GLU A 51 -30.049 -39.552 29.019 1.00 20.00 C ATOM 929 CD GLU A 51 -28.711 -38.925 29.348 1.00 20.00 C ATOM 930 OE1 GLU A 51 -28.310 -38.956 30.531 1.00 20.00 O ATOM 931 OE2 GLU A 51 -28.050 -38.391 28.428 1.00 20.00 O ATOM 0 H GLU A 51 -32.134 -39.465 27.027 1.00 20.00 H new ATOM 0 HA GLU A 51 -32.632 -40.028 29.781 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -31.112 -37.809 28.376 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -31.117 -38.053 30.111 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -30.221 -40.401 29.680 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -30.024 -39.941 28.001 1.00 20.00 H new ATOM 938 N ARG A 52 -34.296 -37.651 28.364 1.00 20.00 N ATOM 939 CA ARG A 52 -35.400 -36.721 28.545 1.00 20.00 C ATOM 940 C ARG A 52 -36.672 -37.488 28.892 1.00 20.00 C ATOM 941 O ARG A 52 -37.456 -37.058 29.742 1.00 20.00 O ATOM 942 CB ARG A 52 -35.619 -35.875 27.284 1.00 20.00 C ATOM 943 CG ARG A 52 -34.422 -35.016 26.893 1.00 20.00 C ATOM 944 CD ARG A 52 -34.024 -34.062 28.010 1.00 20.00 C ATOM 945 NE ARG A 52 -35.101 -33.134 28.347 1.00 20.00 N ATOM 946 CZ ARG A 52 -35.069 -32.296 29.382 1.00 20.00 C ATOM 947 NH1 ARG A 52 -34.010 -32.267 30.183 1.00 20.00 N ATOM 948 NH2 ARG A 52 -36.098 -31.493 29.617 1.00 20.00 N ATOM 0 H ARG A 52 -34.061 -37.841 27.390 1.00 20.00 H new ATOM 0 HA ARG A 52 -35.152 -36.047 29.365 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -35.864 -36.537 26.454 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -36.482 -35.227 27.440 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -33.578 -35.660 26.646 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -34.661 -34.446 25.995 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -33.749 -34.635 28.895 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -33.141 -33.499 27.708 1.00 20.00 H new ATOM 0 HE ARG A 52 -35.930 -33.127 27.752 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -33.220 -32.887 30.006 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -33.987 -31.625 30.975 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -36.914 -31.517 29.005 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -36.074 -30.851 30.410 1.00 20.00 H new ATOM 962 N PHE A 53 -36.859 -38.636 28.239 1.00 20.00 N ATOM 963 CA PHE A 53 -37.994 -39.510 28.512 1.00 20.00 C ATOM 964 C PHE A 53 -37.915 -40.043 29.933 1.00 20.00 C ATOM 965 O PHE A 53 -38.936 -40.259 30.585 1.00 20.00 O ATOM 966 CB PHE A 53 -38.035 -40.691 27.535 1.00 20.00 C ATOM 967 CG PHE A 53 -38.142 -40.304 26.084 1.00 20.00 C ATOM 968 CD1 PHE A 53 -38.815 -39.155 25.697 1.00 20.00 C ATOM 969 CD2 PHE A 53 -37.572 -41.103 25.104 1.00 20.00 C ATOM 970 CE1 PHE A 53 -38.911 -38.810 24.364 1.00 20.00 C ATOM 971 CE2 PHE A 53 -37.666 -40.761 23.770 1.00 20.00 C ATOM 972 CZ PHE A 53 -38.338 -39.614 23.400 1.00 20.00 C ATOM 0 H PHE A 53 -36.232 -38.981 27.512 1.00 20.00 H new ATOM 0 HA PHE A 53 -38.902 -38.920 28.387 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -37.134 -41.289 27.672 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -38.882 -41.327 27.791 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -39.269 -38.523 26.446 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -37.048 -42.004 25.388 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -39.435 -37.911 24.075 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -37.214 -41.390 23.017 1.00 20.00 H new ATOM 0 HZ PHE A 53 -38.415 -39.346 22.357 1.00 20.00 H new ATOM 982 N ALA A 54 -36.692 -40.248 30.403 1.00 20.00 N ATOM 983 CA ALA A 54 -36.452 -40.729 31.754 1.00 20.00 C ATOM 984 C ALA A 54 -37.063 -39.790 32.783 1.00 20.00 C ATOM 985 O ALA A 54 -37.655 -40.230 33.765 1.00 20.00 O ATOM 986 CB ALA A 54 -34.960 -40.881 31.997 1.00 20.00 C ATOM 0 H ALA A 54 -35.843 -40.086 29.861 1.00 20.00 H new ATOM 0 HA ALA A 54 -36.929 -41.703 31.861 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -34.792 -41.242 33.012 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -34.546 -41.595 31.285 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -34.470 -39.916 31.869 1.00 20.00 H new ATOM 992 N LYS A 55 -36.945 -38.494 32.528 1.00 20.00 N ATOM 993 CA LYS A 55 -37.458 -37.478 33.441 1.00 20.00 C ATOM 994 C LYS A 55 -38.974 -37.340 33.312 1.00 20.00 C ATOM 995 O LYS A 55 -39.609 -36.589 34.053 1.00 20.00 O ATOM 996 CB LYS A 55 -36.779 -36.138 33.166 1.00 20.00 C ATOM 997 CG LYS A 55 -35.261 -36.199 33.269 1.00 20.00 C ATOM 998 CD LYS A 55 -34.628 -34.841 33.038 1.00 20.00 C ATOM 999 CE LYS A 55 -33.109 -34.927 33.053 1.00 20.00 C ATOM 1000 NZ LYS A 55 -32.586 -35.410 34.359 1.00 20.00 N ATOM 0 H LYS A 55 -36.496 -38.119 31.692 1.00 20.00 H new ATOM 0 HA LYS A 55 -37.233 -37.789 34.461 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -37.055 -35.797 32.168 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -37.155 -35.397 33.872 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -34.978 -36.570 34.254 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -34.875 -36.909 32.538 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -34.962 -34.440 32.081 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -34.962 -34.146 33.808 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -32.777 -35.597 32.260 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -32.689 -33.945 32.836 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -31.551 -35.309 34.377 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -33.003 -34.848 35.129 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -32.838 -36.411 34.485 1.00 20.00 H new ATOM 1014 N MET A 56 -39.540 -38.056 32.352 1.00 20.00 N ATOM 1015 CA MET A 56 -40.986 -38.104 32.173 1.00 20.00 C ATOM 1016 C MET A 56 -41.568 -39.260 32.978 1.00 20.00 C ATOM 1017 O MET A 56 -42.733 -39.239 33.369 1.00 20.00 O ATOM 1018 CB MET A 56 -41.345 -38.275 30.693 1.00 20.00 C ATOM 1019 CG MET A 56 -40.833 -37.161 29.795 1.00 20.00 C ATOM 1020 SD MET A 56 -41.047 -37.538 28.043 1.00 20.00 S ATOM 1021 CE MET A 56 -42.829 -37.701 27.940 1.00 20.00 C ATOM 0 H MET A 56 -39.016 -38.616 31.679 1.00 20.00 H new ATOM 0 HA MET A 56 -41.408 -37.163 32.527 1.00 20.00 H new ATOM 0 HB2 MET A 56 -40.942 -39.225 30.340 1.00 20.00 H new ATOM 0 HB3 MET A 56 -42.429 -38.334 30.598 1.00 20.00 H new ATOM 0 HG2 MET A 56 -41.359 -36.236 30.032 1.00 20.00 H new ATOM 0 HG3 MET A 56 -39.777 -36.989 30.001 1.00 20.00 H new ATOM 0 HE1 MET A 56 -43.134 -37.704 26.894 1.00 20.00 H new ATOM 0 HE2 MET A 56 -43.137 -38.635 28.410 1.00 20.00 H new ATOM 0 HE3 MET A 56 -43.301 -36.864 28.454 1.00 20.00 H new ATOM 1031 N ARG A 57 -40.745 -40.274 33.214 1.00 20.00 N ATOM 1032 CA ARG A 57 -41.162 -41.437 33.987 1.00 20.00 C ATOM 1033 C ARG A 57 -40.755 -41.283 35.445 1.00 20.00 C ATOM 1034 O ARG A 57 -41.524 -41.602 36.351 1.00 20.00 O ATOM 1035 CB ARG A 57 -40.559 -42.732 33.423 1.00 20.00 C ATOM 1036 CG ARG A 57 -41.268 -43.288 32.191 1.00 20.00 C ATOM 1037 CD ARG A 57 -41.022 -42.449 30.945 1.00 20.00 C ATOM 1038 NE ARG A 57 -41.622 -43.055 29.758 1.00 20.00 N ATOM 1039 CZ ARG A 57 -41.839 -42.408 28.613 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -41.463 -41.143 28.471 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -42.419 -43.036 27.599 1.00 20.00 N ATOM 0 H ARG A 57 -39.782 -40.314 32.880 1.00 20.00 H new ATOM 0 HA ARG A 57 -42.248 -41.501 33.917 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -39.514 -42.550 33.171 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -40.571 -43.492 34.205 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -40.928 -44.308 32.010 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -42.339 -43.338 32.385 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -41.434 -41.451 31.091 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -39.949 -42.332 30.791 1.00 20.00 H new ATOM 0 HE ARG A 57 -41.892 -44.037 29.809 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -41.004 -40.658 29.242 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -41.633 -40.656 27.591 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -42.698 -44.012 27.696 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -42.586 -42.543 26.722 1.00 20.00 H new ATOM 1055 N LYS A 58 -39.543 -40.797 35.664 1.00 20.00 N ATOM 1056 CA LYS A 58 -39.018 -40.626 37.008 1.00 20.00 C ATOM 1057 C LYS A 58 -39.128 -39.174 37.442 1.00 20.00 C ATOM 1058 O LYS A 58 -38.851 -38.268 36.651 1.00 20.00 O ATOM 1059 CB LYS A 58 -37.552 -41.060 37.075 1.00 20.00 C ATOM 1060 CG LYS A 58 -37.311 -42.504 36.666 1.00 20.00 C ATOM 1061 CD LYS A 58 -35.842 -42.874 36.788 1.00 20.00 C ATOM 1062 CE LYS A 58 -35.592 -44.311 36.370 1.00 20.00 C ATOM 1063 NZ LYS A 58 -34.166 -44.694 36.536 1.00 20.00 N ATOM 0 H LYS A 58 -38.902 -40.513 34.923 1.00 20.00 H new ATOM 0 HA LYS A 58 -39.608 -41.250 37.679 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -36.962 -40.408 36.431 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -37.188 -40.917 38.092 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -37.908 -43.166 37.293 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -37.642 -42.653 35.638 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -35.245 -42.205 36.168 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -35.515 -42.732 37.818 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -36.219 -44.976 36.964 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -35.885 -44.443 35.328 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -34.035 -45.682 36.240 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -33.570 -44.075 35.950 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -33.893 -44.593 37.534 1.00 20.00 H new ATOM 1077 N GLU A 59 -39.535 -38.979 38.702 1.00 20.00 N ATOM 1078 CA GLU A 59 -39.616 -37.659 39.345 1.00 20.00 C ATOM 1079 C GLU A 59 -40.168 -36.582 38.410 1.00 20.00 C ATOM 1080 O GLU A 59 -39.621 -35.477 38.322 1.00 20.00 O ATOM 1081 CB GLU A 59 -38.245 -37.238 39.915 1.00 20.00 C ATOM 1082 CG GLU A 59 -37.101 -37.283 38.910 1.00 20.00 C ATOM 1083 CD GLU A 59 -35.795 -36.779 39.478 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -35.141 -37.524 40.241 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -35.406 -35.637 39.156 1.00 20.00 O ATOM 0 H GLU A 59 -39.822 -39.743 39.313 1.00 20.00 H new ATOM 0 HA GLU A 59 -40.323 -37.755 40.169 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -38.325 -36.225 40.309 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -38.000 -37.888 40.755 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -36.969 -38.308 38.564 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -37.367 -36.685 38.039 1.00 20.00 H new ATOM 1092 N ARG A 60 -41.258 -36.900 37.725 1.00 20.00 N ATOM 1093 CA ARG A 60 -41.856 -35.963 36.787 1.00 20.00 C ATOM 1094 C ARG A 60 -42.792 -35.001 37.508 1.00 20.00 C ATOM 1095 O ARG A 60 -43.100 -35.191 38.687 1.00 20.00 O ATOM 1096 CB ARG A 60 -42.630 -36.692 35.684 1.00 20.00 C ATOM 1097 CG ARG A 60 -43.835 -37.471 36.187 1.00 20.00 C ATOM 1098 CD ARG A 60 -44.882 -37.629 35.095 1.00 20.00 C ATOM 1099 NE ARG A 60 -45.455 -36.338 34.708 1.00 20.00 N ATOM 1100 CZ ARG A 60 -45.799 -36.010 33.462 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -45.616 -36.871 32.466 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -46.321 -34.817 33.210 1.00 20.00 N ATOM 0 H ARG A 60 -41.743 -37.794 37.801 1.00 20.00 H new ATOM 0 HA ARG A 60 -41.042 -35.401 36.329 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -42.964 -35.963 34.946 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -41.955 -37.378 35.172 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -43.517 -38.454 36.534 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -44.273 -36.957 37.043 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -44.431 -38.104 34.224 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -45.675 -38.290 35.443 1.00 20.00 H new ATOM 0 HE ARG A 60 -45.601 -35.643 35.440 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -45.211 -37.788 32.653 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -45.881 -36.615 31.515 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -46.459 -34.150 33.969 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -46.584 -34.566 32.257 1.00 20.00 H new ATOM 1116 N SER A 61 -43.240 -33.972 36.788 1.00 20.00 N ATOM 1117 CA SER A 61 -44.179 -32.993 37.321 1.00 20.00 C ATOM 1118 C SER A 61 -43.600 -32.275 38.540 1.00 20.00 C ATOM 1119 O SER A 61 -44.334 -31.846 39.429 1.00 20.00 O ATOM 1120 CB SER A 61 -45.501 -33.675 37.679 1.00 20.00 C ATOM 1121 OG SER A 61 -46.029 -34.374 36.562 1.00 20.00 O ATOM 0 H SER A 61 -42.961 -33.797 35.823 1.00 20.00 H new ATOM 0 HA SER A 61 -44.363 -32.244 36.551 1.00 20.00 H new ATOM 0 HB2 SER A 61 -45.345 -34.368 38.506 1.00 20.00 H new ATOM 0 HB3 SER A 61 -46.219 -32.929 38.019 1.00 20.00 H new ATOM 0 HG SER A 61 -46.545 -35.147 36.874 1.00 20.00 H new ATOM 1127 N LYS A 62 -42.282 -32.148 38.577 1.00 20.00 N ATOM 1128 CA LYS A 62 -41.610 -31.501 39.691 1.00 20.00 C ATOM 1129 C LYS A 62 -40.889 -30.250 39.196 1.00 20.00 C ATOM 1130 O LYS A 62 -39.724 -30.302 38.804 1.00 20.00 O ATOM 1131 CB LYS A 62 -40.632 -32.487 40.353 1.00 20.00 C ATOM 1132 CG LYS A 62 -40.187 -32.104 41.764 1.00 20.00 C ATOM 1133 CD LYS A 62 -39.103 -31.035 41.760 1.00 20.00 C ATOM 1134 CE LYS A 62 -38.597 -30.737 43.164 1.00 20.00 C ATOM 1135 NZ LYS A 62 -39.668 -30.213 44.048 1.00 20.00 N ATOM 0 H LYS A 62 -41.656 -32.486 37.846 1.00 20.00 H new ATOM 0 HA LYS A 62 -42.342 -31.199 40.440 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -41.100 -33.471 40.390 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -39.748 -32.578 39.722 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -41.047 -31.743 42.328 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -39.817 -32.991 42.279 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -38.272 -31.363 41.136 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -39.495 -30.121 41.314 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -38.182 -31.646 43.599 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -37.786 -30.011 43.109 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -39.252 -29.898 44.948 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -40.139 -29.410 43.584 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -40.364 -30.963 44.232 1.00 20.00 H new ATOM 1149 N GLN A 63 -41.606 -29.135 39.185 1.00 20.00 N ATOM 1150 CA GLN A 63 -41.047 -27.863 38.759 1.00 20.00 C ATOM 1151 C GLN A 63 -41.855 -26.726 39.375 1.00 20.00 C ATOM 1152 O GLN A 63 -42.774 -26.205 38.703 1.00 20.00 O ATOM 1153 CB GLN A 63 -41.059 -27.762 37.228 1.00 20.00 C ATOM 1154 CG GLN A 63 -39.770 -27.216 36.624 1.00 20.00 C ATOM 1155 CD GLN A 63 -39.495 -25.763 36.970 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -38.341 -25.345 37.065 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -40.545 -24.978 37.146 1.00 20.00 N ATOM 1158 OXT GLN A 63 -41.595 -26.387 40.545 1.00 20.00 O ATOM 0 H GLN A 63 -42.584 -29.088 39.469 1.00 20.00 H new ATOM 0 HA GLN A 63 -40.013 -27.791 39.096 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -41.251 -28.751 36.812 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -41.888 -27.122 36.924 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -38.933 -27.825 36.966 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -39.816 -27.319 35.540 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -41.487 -25.359 37.059 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -40.413 -23.991 37.368 1.00 20.00 H new TER 1167 GLN A 63