USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 699 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 NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 83 LYS NZ :NH3+ -148:sc= 0.991 (180deg=0.183) USER MOD Set 1.2: A 86 SER OG : rot -130:sc= 0.861 USER MOD Set 2.1: A 71 GLN : amide:sc= 0.0962 K(o=1.6,f=-6.5!) USER MOD Set 2.2: A 80 LYS NZ :NH3+ 138:sc= 1.48 (180deg=-0.702) USER MOD Set 3.1: A 63 LYS NZ :NH3+ 137:sc= 0.273 (180deg=0) USER MOD Set 3.2: A 68 SER OG : rot -140:sc= 0.22 USER MOD Set 4.1: A 51 CYS SG : rot -110:sc= -3.2! USER MOD Set 4.2: A 53 GLN : amide:sc= -0.349 X(o=-3.5,f=-3.5) USER MOD Set 4.3: A 56 SER OG : rot -120:sc= 0.0843 USER MOD Single : A 10 HIS : no HE2:sc= -0.134 K(o=-0.13,f=-1.3) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.149 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= 0.0925 K(o=0.092,f=-0.54) USER MOD Single : A 28 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.32) USER MOD Single : A 34 MET CE :methyl 131:sc= -0.259 (180deg=-0.906) USER MOD Single : A 37 THR OG1 : rot -160:sc= 0.542 USER MOD Single : A 40 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000651) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 50 THR OG1 : rot -119:sc= -0.0814 USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0288) USER MOD Single : A 58 ASN : amide:sc= -0.0781 X(o=-0.078,f=0) USER MOD Single : A 61 MET CE :methyl -117:sc= -0.0257 (180deg=-0.331) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0284) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 32:sc= 0.14 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.0323 (180deg=-0.23) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 15.804 -12.768 21.562 1.00 0.00 N ATOM 2 CA HIS A 10 14.873 -13.001 20.437 1.00 0.00 C ATOM 3 C HIS A 10 15.545 -12.642 19.095 1.00 0.00 C ATOM 4 O HIS A 10 15.605 -11.479 18.719 1.00 0.00 O ATOM 5 CB HIS A 10 13.535 -12.216 20.650 1.00 0.00 C ATOM 6 CG HIS A 10 13.678 -10.728 20.889 1.00 0.00 C ATOM 7 ND1 HIS A 10 13.639 -9.791 19.874 1.00 0.00 N ATOM 8 CD2 HIS A 10 13.849 -10.022 22.034 1.00 0.00 C ATOM 9 CE1 HIS A 10 13.781 -8.585 20.385 1.00 0.00 C ATOM 10 NE2 HIS A 10 13.910 -8.698 21.690 1.00 0.00 N ATOM 0 HA HIS A 10 14.623 -14.061 20.405 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.904 -12.366 19.774 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.010 -12.653 21.499 1.00 0.00 H new ATOM 0 HD1 HIS A 10 13.519 -10.001 18.883 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.923 -10.428 23.032 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.790 -7.660 19.827 1.00 0.00 H new ATOM 19 N MET A 11 16.087 -13.651 18.384 1.00 0.00 N ATOM 20 CA MET A 11 16.675 -13.446 17.038 1.00 0.00 C ATOM 21 C MET A 11 15.561 -13.529 15.977 1.00 0.00 C ATOM 22 O MET A 11 15.254 -14.613 15.469 1.00 0.00 O ATOM 23 CB MET A 11 17.803 -14.478 16.749 1.00 0.00 C ATOM 24 CG MET A 11 19.069 -14.291 17.593 1.00 0.00 C ATOM 25 SD MET A 11 20.371 -15.472 17.163 1.00 0.00 S ATOM 26 CE MET A 11 21.751 -14.888 18.149 1.00 0.00 C ATOM 0 H MET A 11 16.131 -14.615 18.715 1.00 0.00 H new ATOM 0 HA MET A 11 17.131 -12.457 17.000 1.00 0.00 H new ATOM 0 HB2 MET A 11 17.413 -15.481 16.920 1.00 0.00 H new ATOM 0 HB3 MET A 11 18.072 -14.417 15.695 1.00 0.00 H new ATOM 0 HG2 MET A 11 19.445 -13.277 17.459 1.00 0.00 H new ATOM 0 HG3 MET A 11 18.818 -14.401 18.648 1.00 0.00 H new ATOM 0 HE1 MET A 11 22.617 -15.527 17.978 1.00 0.00 H new ATOM 0 HE2 MET A 11 21.994 -13.864 17.865 1.00 0.00 H new ATOM 0 HE3 MET A 11 21.482 -14.917 19.205 1.00 0.00 H new ATOM 36 N ARG A 12 14.926 -12.372 15.704 1.00 0.00 N ATOM 37 CA ARG A 12 13.791 -12.263 14.762 1.00 0.00 C ATOM 38 C ARG A 12 13.573 -10.772 14.408 1.00 0.00 C ATOM 39 O ARG A 12 12.439 -10.286 14.305 1.00 0.00 O ATOM 40 CB ARG A 12 12.513 -12.901 15.412 1.00 0.00 C ATOM 41 CG ARG A 12 11.288 -13.054 14.478 1.00 0.00 C ATOM 42 CD ARG A 12 10.049 -13.620 15.204 1.00 0.00 C ATOM 43 NE ARG A 12 10.253 -15.010 15.650 1.00 0.00 N ATOM 44 CZ ARG A 12 9.425 -15.705 16.437 1.00 0.00 C ATOM 45 NH1 ARG A 12 8.345 -15.146 16.959 1.00 0.00 N ATOM 46 NH2 ARG A 12 9.703 -16.973 16.696 1.00 0.00 N ATOM 0 H ARG A 12 15.186 -11.483 16.131 1.00 0.00 H new ATOM 0 HA ARG A 12 14.002 -12.805 13.840 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.777 -13.886 15.798 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.220 -12.292 16.267 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.040 -12.083 14.049 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.549 -13.711 13.649 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.817 -12.994 16.066 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.188 -13.577 14.537 1.00 0.00 H new ATOM 0 HE ARG A 12 11.099 -15.482 15.331 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.132 -14.168 16.763 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.726 -15.693 17.557 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.537 -17.404 16.297 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.083 -17.519 17.294 1.00 0.00 H new ATOM 60 N ASP A 13 14.678 -10.047 14.186 1.00 0.00 N ATOM 61 CA ASP A 13 14.663 -8.582 14.029 1.00 0.00 C ATOM 62 C ASP A 13 15.492 -8.215 12.793 1.00 0.00 C ATOM 63 O ASP A 13 16.693 -7.935 12.877 1.00 0.00 O ATOM 64 CB ASP A 13 15.215 -7.874 15.288 1.00 0.00 C ATOM 65 CG ASP A 13 14.452 -8.233 16.578 1.00 0.00 C ATOM 66 OD1 ASP A 13 14.746 -9.289 17.172 1.00 0.00 O ATOM 67 OD2 ASP A 13 13.547 -7.473 16.997 1.00 0.00 O ATOM 0 H ASP A 13 15.609 -10.458 14.110 1.00 0.00 H new ATOM 0 HA ASP A 13 13.634 -8.246 13.899 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.266 -8.136 15.412 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.171 -6.795 15.137 1.00 0.00 H new ATOM 72 N TYR A 14 14.829 -8.284 11.652 1.00 0.00 N ATOM 73 CA TYR A 14 15.405 -8.028 10.328 1.00 0.00 C ATOM 74 C TYR A 14 15.123 -6.589 9.934 1.00 0.00 C ATOM 75 O TYR A 14 13.966 -6.187 9.801 1.00 0.00 O ATOM 76 CB TYR A 14 14.809 -9.007 9.297 1.00 0.00 C ATOM 77 CG TYR A 14 15.323 -10.436 9.482 1.00 0.00 C ATOM 78 CD1 TYR A 14 14.740 -11.313 10.398 1.00 0.00 C ATOM 79 CD2 TYR A 14 16.423 -10.889 8.754 1.00 0.00 C ATOM 80 CE1 TYR A 14 15.231 -12.593 10.568 1.00 0.00 C ATOM 81 CE2 TYR A 14 16.916 -12.162 8.927 1.00 0.00 C ATOM 82 CZ TYR A 14 16.318 -13.011 9.831 1.00 0.00 C ATOM 83 OH TYR A 14 16.812 -14.276 10.000 1.00 0.00 O ATOM 0 H TYR A 14 13.839 -8.528 11.612 1.00 0.00 H new ATOM 0 HA TYR A 14 16.484 -8.182 10.356 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.722 -9.001 9.381 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.053 -8.664 8.292 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.893 -10.986 10.982 1.00 0.00 H new ATOM 0 HD2 TYR A 14 16.896 -10.229 8.042 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.765 -13.263 11.275 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.770 -12.494 8.355 1.00 0.00 H new ATOM 0 HH TYR A 14 17.578 -14.410 9.404 1.00 0.00 H new ATOM 93 N ILE A 15 16.197 -5.823 9.751 1.00 0.00 N ATOM 94 CA ILE A 15 16.147 -4.373 9.593 1.00 0.00 C ATOM 95 C ILE A 15 16.867 -4.003 8.276 1.00 0.00 C ATOM 96 O ILE A 15 17.697 -4.768 7.778 1.00 0.00 O ATOM 97 CB ILE A 15 16.838 -3.648 10.829 1.00 0.00 C ATOM 98 CG1 ILE A 15 16.432 -4.291 12.196 1.00 0.00 C ATOM 99 CG2 ILE A 15 16.540 -2.129 10.838 1.00 0.00 C ATOM 100 CD1 ILE A 15 14.964 -4.204 12.516 1.00 0.00 C ATOM 0 H ILE A 15 17.143 -6.201 9.708 1.00 0.00 H new ATOM 0 HA ILE A 15 15.109 -4.042 9.556 1.00 0.00 H new ATOM 0 HB ILE A 15 17.912 -3.787 10.705 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.728 -5.340 12.192 1.00 0.00 H new ATOM 0 HG13 ILE A 15 16.994 -3.804 12.993 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.028 -1.668 11.696 1.00 0.00 H new ATOM 0 HG22 ILE A 15 16.918 -1.679 9.920 1.00 0.00 H new ATOM 0 HG23 ILE A 15 15.464 -1.970 10.904 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.773 -4.674 13.481 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.662 -3.158 12.557 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.392 -4.717 11.743 1.00 0.00 H new ATOM 112 N CYS A 16 16.526 -2.837 7.715 1.00 0.00 N ATOM 113 CA CYS A 16 17.184 -2.276 6.515 1.00 0.00 C ATOM 114 C CYS A 16 18.356 -1.362 6.926 1.00 0.00 C ATOM 115 O CYS A 16 18.844 -0.554 6.131 1.00 0.00 O ATOM 116 CB CYS A 16 16.148 -1.502 5.696 1.00 0.00 C ATOM 117 SG CYS A 16 16.710 -0.997 4.065 1.00 0.00 S ATOM 0 H CYS A 16 15.779 -2.246 8.080 1.00 0.00 H new ATOM 0 HA CYS A 16 17.590 -3.083 5.906 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.257 -2.120 5.584 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.852 -0.614 6.255 1.00 0.00 H new ATOM 122 N GLU A 17 18.710 -1.462 8.227 1.00 0.00 N ATOM 123 CA GLU A 17 19.910 -0.893 8.863 1.00 0.00 C ATOM 124 C GLU A 17 19.638 0.551 9.352 1.00 0.00 C ATOM 125 O GLU A 17 20.109 0.932 10.427 1.00 0.00 O ATOM 126 CB GLU A 17 21.210 -0.965 7.990 1.00 0.00 C ATOM 127 CG GLU A 17 21.798 -2.381 7.733 1.00 0.00 C ATOM 128 CD GLU A 17 21.085 -3.206 6.636 1.00 0.00 C ATOM 129 OE1 GLU A 17 21.201 -2.856 5.443 1.00 0.00 O ATOM 130 OE2 GLU A 17 20.416 -4.210 6.951 1.00 0.00 O ATOM 0 H GLU A 17 18.131 -1.971 8.895 1.00 0.00 H new ATOM 0 HA GLU A 17 20.116 -1.531 9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 17 20.999 -0.504 7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 17 21.978 -0.359 8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.848 -2.276 7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.766 -2.944 8.666 1.00 0.00 H new ATOM 137 N TYR A 18 18.868 1.344 8.573 1.00 0.00 N ATOM 138 CA TYR A 18 18.580 2.751 8.903 1.00 0.00 C ATOM 139 C TYR A 18 17.110 3.072 8.596 1.00 0.00 C ATOM 140 O TYR A 18 16.374 3.587 9.443 1.00 0.00 O ATOM 141 CB TYR A 18 19.526 3.690 8.113 1.00 0.00 C ATOM 142 CG TYR A 18 19.470 5.149 8.582 1.00 0.00 C ATOM 143 CD1 TYR A 18 19.533 5.449 9.944 1.00 0.00 C ATOM 144 CD2 TYR A 18 19.314 6.213 7.693 1.00 0.00 C ATOM 145 CE1 TYR A 18 19.456 6.744 10.393 1.00 0.00 C ATOM 146 CE2 TYR A 18 19.233 7.518 8.143 1.00 0.00 C ATOM 147 CZ TYR A 18 19.303 7.781 9.493 1.00 0.00 C ATOM 148 OH TYR A 18 19.215 9.084 9.954 1.00 0.00 O ATOM 0 H TYR A 18 18.434 1.027 7.706 1.00 0.00 H new ATOM 0 HA TYR A 18 18.752 2.910 9.967 1.00 0.00 H new ATOM 0 HB2 TYR A 18 20.549 3.325 8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 18 19.268 3.646 7.055 1.00 0.00 H new ATOM 0 HD1 TYR A 18 19.644 4.647 10.658 1.00 0.00 H new ATOM 0 HD2 TYR A 18 19.255 6.014 6.633 1.00 0.00 H new ATOM 0 HE1 TYR A 18 19.515 6.952 11.451 1.00 0.00 H new ATOM 0 HE2 TYR A 18 19.115 8.328 7.438 1.00 0.00 H new ATOM 0 HH TYR A 18 19.111 9.694 9.194 1.00 0.00 H new ATOM 158 N CYS A 19 16.704 2.764 7.350 1.00 0.00 N ATOM 159 CA CYS A 19 15.319 2.966 6.879 1.00 0.00 C ATOM 160 C CYS A 19 14.515 1.662 6.944 1.00 0.00 C ATOM 161 O CYS A 19 14.273 1.030 5.928 1.00 0.00 O ATOM 162 CB CYS A 19 15.294 3.592 5.449 1.00 0.00 C ATOM 163 SG CYS A 19 16.394 2.806 4.211 1.00 0.00 S ATOM 0 H CYS A 19 17.324 2.369 6.643 1.00 0.00 H new ATOM 0 HA CYS A 19 14.837 3.676 7.551 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.271 3.553 5.074 1.00 0.00 H new ATOM 0 HB3 CYS A 19 15.564 4.645 5.530 1.00 0.00 H new ATOM 168 N ALA A 20 14.198 1.209 8.168 1.00 0.00 N ATOM 169 CA ALA A 20 13.147 0.193 8.399 1.00 0.00 C ATOM 170 C ALA A 20 12.449 0.373 9.753 1.00 0.00 C ATOM 171 O ALA A 20 12.666 1.367 10.452 1.00 0.00 O ATOM 172 CB ALA A 20 13.707 -1.230 8.277 1.00 0.00 C ATOM 0 H ALA A 20 14.656 1.530 9.021 1.00 0.00 H new ATOM 0 HA ALA A 20 12.400 0.342 7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.909 -1.951 8.452 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.115 -1.376 7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.496 -1.375 9.015 1.00 0.00 H new ATOM 178 N ARG A 21 11.585 -0.615 10.096 1.00 0.00 N ATOM 179 CA ARG A 21 10.889 -0.703 11.377 1.00 0.00 C ATOM 180 C ARG A 21 11.479 -1.950 12.097 1.00 0.00 C ATOM 181 O ARG A 21 12.618 -1.895 12.561 1.00 0.00 O ATOM 182 CB ARG A 21 9.343 -0.744 11.150 1.00 0.00 C ATOM 183 CG ARG A 21 8.865 -1.722 10.035 1.00 0.00 C ATOM 184 CD ARG A 21 7.344 -1.670 9.807 1.00 0.00 C ATOM 185 NE ARG A 21 6.908 -0.349 9.296 1.00 0.00 N ATOM 186 CZ ARG A 21 5.761 0.269 9.594 1.00 0.00 C ATOM 187 NH1 ARG A 21 4.900 -0.257 10.453 1.00 0.00 N ATOM 188 NH2 ARG A 21 5.485 1.428 9.032 1.00 0.00 N ATOM 0 H ARG A 21 11.357 -1.384 9.466 1.00 0.00 H new ATOM 0 HA ARG A 21 11.041 0.169 12.013 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.861 -1.022 12.087 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.001 0.261 10.902 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.376 -1.480 9.103 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.153 -2.739 10.302 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.056 -2.447 9.098 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.829 -1.886 10.743 1.00 0.00 H new ATOM 0 HE ARG A 21 7.542 0.133 8.658 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.107 -1.150 10.901 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.030 0.231 10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.144 1.846 8.376 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.612 1.907 9.253 1.00 0.00 H new ATOM 202 N ALA A 22 10.733 -3.077 12.141 1.00 0.00 N ATOM 203 CA ALA A 22 11.275 -4.420 12.432 1.00 0.00 C ATOM 204 C ALA A 22 10.499 -5.442 11.595 1.00 0.00 C ATOM 205 O ALA A 22 9.270 -5.355 11.495 1.00 0.00 O ATOM 206 CB ALA A 22 11.167 -4.752 13.929 1.00 0.00 C ATOM 0 H ALA A 22 9.727 -3.078 11.973 1.00 0.00 H new ATOM 0 HA ALA A 22 12.333 -4.449 12.173 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.574 -5.747 14.111 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.730 -4.018 14.506 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.120 -4.727 14.233 1.00 0.00 H new ATOM 212 N PHE A 23 11.221 -6.363 10.952 1.00 0.00 N ATOM 213 CA PHE A 23 10.629 -7.467 10.177 1.00 0.00 C ATOM 214 C PHE A 23 11.045 -8.805 10.791 1.00 0.00 C ATOM 215 O PHE A 23 11.957 -8.870 11.620 1.00 0.00 O ATOM 216 CB PHE A 23 11.057 -7.395 8.686 1.00 0.00 C ATOM 217 CG PHE A 23 10.547 -6.160 7.934 1.00 0.00 C ATOM 218 CD1 PHE A 23 11.212 -4.935 8.023 1.00 0.00 C ATOM 219 CD2 PHE A 23 9.403 -6.229 7.128 1.00 0.00 C ATOM 220 CE1 PHE A 23 10.756 -3.823 7.333 1.00 0.00 C ATOM 221 CE2 PHE A 23 8.952 -5.115 6.438 1.00 0.00 C ATOM 222 CZ PHE A 23 9.627 -3.913 6.541 1.00 0.00 C ATOM 0 H PHE A 23 12.241 -6.367 10.952 1.00 0.00 H new ATOM 0 HA PHE A 23 9.543 -7.377 10.214 1.00 0.00 H new ATOM 0 HB2 PHE A 23 12.146 -7.412 8.633 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.699 -8.289 8.175 1.00 0.00 H new ATOM 0 HD1 PHE A 23 12.095 -4.853 8.639 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.866 -7.162 7.043 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.284 -2.884 7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.071 -5.186 5.818 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.273 -3.046 6.004 1.00 0.00 H new ATOM 232 N LYS A 24 10.350 -9.868 10.389 1.00 0.00 N ATOM 233 CA LYS A 24 10.638 -11.251 10.826 1.00 0.00 C ATOM 234 C LYS A 24 11.376 -12.042 9.718 1.00 0.00 C ATOM 235 O LYS A 24 11.584 -13.252 9.848 1.00 0.00 O ATOM 236 CB LYS A 24 9.301 -11.940 11.212 1.00 0.00 C ATOM 237 CG LYS A 24 8.228 -11.892 10.098 1.00 0.00 C ATOM 238 CD LYS A 24 6.902 -12.570 10.493 1.00 0.00 C ATOM 239 CE LYS A 24 5.829 -12.423 9.397 1.00 0.00 C ATOM 240 NZ LYS A 24 4.587 -13.160 9.725 1.00 0.00 N ATOM 0 H LYS A 24 9.562 -9.803 9.745 1.00 0.00 H new ATOM 0 HA LYS A 24 11.297 -11.229 11.694 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.500 -12.981 11.467 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.903 -11.463 12.108 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.032 -10.852 9.838 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.622 -12.375 9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.080 -13.628 10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.534 -12.133 11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.597 -11.367 9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.227 -12.789 8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.895 -13.032 8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.802 -14.172 9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.191 -12.794 10.614 1.00 0.00 H new ATOM 254 N SER A 25 11.820 -11.321 8.668 1.00 0.00 N ATOM 255 CA SER A 25 12.439 -11.910 7.462 1.00 0.00 C ATOM 256 C SER A 25 13.070 -10.800 6.600 1.00 0.00 C ATOM 257 O SER A 25 12.494 -9.713 6.466 1.00 0.00 O ATOM 258 CB SER A 25 11.383 -12.709 6.653 1.00 0.00 C ATOM 259 OG SER A 25 11.846 -13.049 5.352 1.00 0.00 O ATOM 0 H SER A 25 11.758 -10.303 8.633 1.00 0.00 H new ATOM 0 HA SER A 25 13.227 -12.600 7.765 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.126 -13.619 7.194 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.470 -12.119 6.569 1.00 0.00 H new ATOM 0 HG SER A 25 11.151 -13.552 4.879 1.00 0.00 H new ATOM 265 N SER A 26 14.261 -11.088 6.041 1.00 0.00 N ATOM 266 CA SER A 26 15.007 -10.169 5.158 1.00 0.00 C ATOM 267 C SER A 26 14.346 -10.082 3.768 1.00 0.00 C ATOM 268 O SER A 26 14.297 -9.014 3.151 1.00 0.00 O ATOM 269 CB SER A 26 16.476 -10.643 5.044 1.00 0.00 C ATOM 270 OG SER A 26 16.545 -11.996 4.617 1.00 0.00 O ATOM 0 H SER A 26 14.739 -11.977 6.192 1.00 0.00 H new ATOM 0 HA SER A 26 14.990 -9.169 5.591 1.00 0.00 H new ATOM 0 HB2 SER A 26 17.013 -10.008 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 26 16.971 -10.537 6.009 1.00 0.00 H new ATOM 0 HG SER A 26 17.483 -12.271 4.551 1.00 0.00 H new ATOM 276 N HIS A 27 13.835 -11.230 3.294 1.00 0.00 N ATOM 277 CA HIS A 27 13.111 -11.328 2.012 1.00 0.00 C ATOM 278 C HIS A 27 11.745 -10.635 2.111 1.00 0.00 C ATOM 279 O HIS A 27 11.247 -10.085 1.124 1.00 0.00 O ATOM 280 CB HIS A 27 12.964 -12.799 1.577 1.00 0.00 C ATOM 281 CG HIS A 27 14.271 -13.452 1.203 1.00 0.00 C ATOM 282 ND1 HIS A 27 14.769 -13.466 -0.086 1.00 0.00 N ATOM 283 CD2 HIS A 27 15.186 -14.101 1.958 1.00 0.00 C ATOM 284 CE1 HIS A 27 15.925 -14.102 -0.098 1.00 0.00 C ATOM 285 NE2 HIS A 27 16.201 -14.495 1.125 1.00 0.00 N ATOM 0 H HIS A 27 13.911 -12.119 3.788 1.00 0.00 H new ATOM 0 HA HIS A 27 13.693 -10.815 1.246 1.00 0.00 H new ATOM 0 HB2 HIS A 27 12.504 -13.364 2.387 1.00 0.00 H new ATOM 0 HB3 HIS A 27 12.285 -12.851 0.726 1.00 0.00 H new ATOM 0 HD1 HIS A 27 14.315 -13.050 -0.899 1.00 0.00 H new ATOM 0 HD2 HIS A 27 15.128 -14.277 3.022 1.00 0.00 H new ATOM 0 HE1 HIS A 27 16.542 -14.271 -0.968 1.00 0.00 H new ATOM 294 N ASN A 28 11.121 -10.730 3.300 1.00 0.00 N ATOM 295 CA ASN A 28 9.900 -9.958 3.638 1.00 0.00 C ATOM 296 C ASN A 28 10.184 -8.454 3.529 1.00 0.00 C ATOM 297 O ASN A 28 9.503 -7.727 2.825 1.00 0.00 O ATOM 298 CB ASN A 28 9.460 -10.291 5.077 1.00 0.00 C ATOM 299 CG ASN A 28 8.149 -9.637 5.512 1.00 0.00 C ATOM 300 OD1 ASN A 28 7.247 -9.411 4.706 1.00 0.00 O ATOM 301 ND2 ASN A 28 8.031 -9.350 6.804 1.00 0.00 N ATOM 0 H ASN A 28 11.443 -11.339 4.052 1.00 0.00 H new ATOM 0 HA ASN A 28 9.106 -10.226 2.941 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.359 -11.372 5.170 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.249 -9.984 5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.172 -8.928 7.156 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.800 -9.551 7.443 1.00 0.00 H new ATOM 308 N LEU A 29 11.232 -8.038 4.248 1.00 0.00 N ATOM 309 CA LEU A 29 11.744 -6.654 4.294 1.00 0.00 C ATOM 310 C LEU A 29 12.064 -6.098 2.892 1.00 0.00 C ATOM 311 O LEU A 29 11.934 -4.891 2.673 1.00 0.00 O ATOM 312 CB LEU A 29 12.969 -6.631 5.275 1.00 0.00 C ATOM 313 CG LEU A 29 14.233 -5.799 4.894 1.00 0.00 C ATOM 314 CD1 LEU A 29 13.997 -4.295 5.113 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.481 -6.297 5.658 1.00 0.00 C ATOM 0 H LEU A 29 11.770 -8.674 4.837 1.00 0.00 H new ATOM 0 HA LEU A 29 10.975 -5.980 4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.612 -6.264 6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.288 -7.662 5.426 1.00 0.00 H new ATOM 0 HG LEU A 29 14.421 -5.947 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.895 -3.742 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.164 -3.963 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.764 -4.112 6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.346 -5.698 5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.313 -6.202 6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.666 -7.342 5.411 1.00 0.00 H new ATOM 327 N ALA A 30 12.451 -6.985 1.958 1.00 0.00 N ATOM 328 CA ALA A 30 12.708 -6.638 0.537 1.00 0.00 C ATOM 329 C ALA A 30 11.539 -5.884 -0.144 1.00 0.00 C ATOM 330 O ALA A 30 11.763 -5.221 -1.160 1.00 0.00 O ATOM 331 CB ALA A 30 13.123 -7.882 -0.259 1.00 0.00 C ATOM 0 H ALA A 30 12.597 -7.973 2.164 1.00 0.00 H new ATOM 0 HA ALA A 30 13.539 -5.933 0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.306 -7.605 -1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.032 -8.302 0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.325 -8.624 -0.217 1.00 0.00 H new ATOM 337 N VAL A 31 10.295 -6.052 0.370 1.00 0.00 N ATOM 338 CA VAL A 31 9.152 -5.229 -0.080 1.00 0.00 C ATOM 339 C VAL A 31 9.454 -3.703 0.025 1.00 0.00 C ATOM 340 O VAL A 31 9.243 -2.955 -0.927 1.00 0.00 O ATOM 341 CB VAL A 31 7.805 -5.582 0.665 1.00 0.00 C ATOM 342 CG1 VAL A 31 7.414 -7.063 0.444 1.00 0.00 C ATOM 343 CG2 VAL A 31 7.838 -5.244 2.184 1.00 0.00 C ATOM 0 H VAL A 31 10.063 -6.740 1.086 1.00 0.00 H new ATOM 0 HA VAL A 31 9.010 -5.477 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 31 7.040 -4.946 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.483 -7.276 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.280 -7.249 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.203 -7.709 0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.883 -5.510 2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.637 -5.808 2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.017 -4.177 2.315 1.00 0.00 H new ATOM 353 N HIS A 32 9.958 -3.264 1.187 1.00 0.00 N ATOM 354 CA HIS A 32 10.440 -1.882 1.375 1.00 0.00 C ATOM 355 C HIS A 32 11.787 -1.720 0.680 1.00 0.00 C ATOM 356 O HIS A 32 12.059 -0.708 0.020 1.00 0.00 O ATOM 357 CB HIS A 32 10.541 -1.515 2.898 1.00 0.00 C ATOM 358 CG HIS A 32 11.608 -0.483 3.184 1.00 0.00 C ATOM 359 ND1 HIS A 32 11.459 0.848 2.889 1.00 0.00 N ATOM 360 CD2 HIS A 32 12.908 -0.656 3.537 1.00 0.00 C ATOM 361 CE1 HIS A 32 12.650 1.434 3.035 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.579 0.573 3.418 1.00 0.00 N ATOM 0 H HIS A 32 10.044 -3.849 2.018 1.00 0.00 H new ATOM 0 HA HIS A 32 9.723 -1.193 0.928 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.577 -1.139 3.241 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.753 -2.418 3.471 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.593 1.308 2.608 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.353 -1.586 3.857 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.833 2.484 2.861 1.00 0.00 H new ATOM 370 N ARG A 33 12.648 -2.705 0.934 1.00 0.00 N ATOM 371 CA ARG A 33 14.044 -2.742 0.514 1.00 0.00 C ATOM 372 C ARG A 33 14.120 -3.103 -0.990 1.00 0.00 C ATOM 373 O ARG A 33 15.017 -3.829 -1.430 1.00 0.00 O ATOM 374 CB ARG A 33 14.789 -3.755 1.449 1.00 0.00 C ATOM 375 CG ARG A 33 16.319 -3.891 1.278 1.00 0.00 C ATOM 376 CD ARG A 33 16.938 -4.946 2.220 1.00 0.00 C ATOM 377 NE ARG A 33 18.412 -4.885 2.205 1.00 0.00 N ATOM 378 CZ ARG A 33 19.192 -4.719 3.281 1.00 0.00 C ATOM 379 NH1 ARG A 33 18.692 -4.752 4.515 1.00 0.00 N ATOM 380 NH2 ARG A 33 20.489 -4.535 3.113 1.00 0.00 N ATOM 0 H ARG A 33 12.377 -3.535 1.462 1.00 0.00 H new ATOM 0 HA ARG A 33 14.535 -1.774 0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.590 -3.468 2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.345 -4.739 1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.542 -4.159 0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.788 -2.925 1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.576 -4.785 3.236 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.611 -5.941 1.919 1.00 0.00 H new ATOM 0 HE ARG A 33 18.875 -4.977 1.301 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.694 -4.907 4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.307 -4.623 5.318 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.885 -4.521 2.173 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.095 -4.407 3.923 1.00 0.00 H new ATOM 394 N MET A 34 13.207 -2.503 -1.798 1.00 0.00 N ATOM 395 CA MET A 34 12.900 -2.976 -3.144 1.00 0.00 C ATOM 396 C MET A 34 14.105 -2.795 -4.086 1.00 0.00 C ATOM 397 O MET A 34 14.571 -3.783 -4.648 1.00 0.00 O ATOM 398 CB MET A 34 11.565 -2.330 -3.660 1.00 0.00 C ATOM 399 CG MET A 34 11.535 -0.790 -3.784 1.00 0.00 C ATOM 400 SD MET A 34 12.186 -0.188 -5.358 1.00 0.00 S ATOM 401 CE MET A 34 11.039 -0.919 -6.529 1.00 0.00 C ATOM 0 H MET A 34 12.672 -1.680 -1.521 1.00 0.00 H new ATOM 0 HA MET A 34 12.720 -4.051 -3.121 1.00 0.00 H new ATOM 0 HB2 MET A 34 11.340 -2.753 -4.639 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.761 -2.632 -2.989 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.508 -0.443 -3.667 1.00 0.00 H new ATOM 0 HG3 MET A 34 12.114 -0.355 -2.969 1.00 0.00 H new ATOM 0 HE1 MET A 34 10.690 -0.154 -7.223 1.00 0.00 H new ATOM 0 HE2 MET A 34 11.541 -1.711 -7.084 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.187 -1.337 -5.992 1.00 0.00 H new ATOM 411 N ILE A 35 14.635 -1.565 -4.256 1.00 0.00 N ATOM 412 CA ILE A 35 15.918 -1.340 -4.928 1.00 0.00 C ATOM 413 C ILE A 35 17.190 -1.843 -4.198 1.00 0.00 C ATOM 414 O ILE A 35 18.155 -2.204 -4.893 1.00 0.00 O ATOM 415 CB ILE A 35 16.045 0.205 -5.211 1.00 0.00 C ATOM 416 CG1 ILE A 35 17.288 0.545 -6.087 1.00 0.00 C ATOM 417 CG2 ILE A 35 16.070 1.008 -3.881 1.00 0.00 C ATOM 418 CD1 ILE A 35 17.329 -0.122 -7.451 1.00 0.00 C ATOM 0 H ILE A 35 14.184 -0.710 -3.931 1.00 0.00 H new ATOM 0 HA ILE A 35 15.887 -1.947 -5.833 1.00 0.00 H new ATOM 0 HB ILE A 35 15.163 0.500 -5.780 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.326 1.625 -6.229 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.186 0.264 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 35 16.158 2.072 -4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 35 15.148 0.826 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 35 16.922 0.690 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 35 18.234 0.182 -7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 35 17.328 -1.205 -7.327 1.00 0.00 H new ATOM 0 HD13 ILE A 35 16.455 0.178 -8.029 1.00 0.00 H new ATOM 430 N HIS A 36 17.225 -1.954 -2.835 1.00 0.00 N ATOM 431 CA HIS A 36 18.563 -1.971 -2.161 1.00 0.00 C ATOM 432 C HIS A 36 19.169 -3.390 -2.294 1.00 0.00 C ATOM 433 O HIS A 36 20.388 -3.553 -2.426 1.00 0.00 O ATOM 434 CB HIS A 36 18.545 -1.632 -0.633 1.00 0.00 C ATOM 435 CG HIS A 36 17.726 -0.451 -0.151 1.00 0.00 C ATOM 436 ND1 HIS A 36 18.131 0.856 -0.157 1.00 0.00 N ATOM 437 CD2 HIS A 36 16.625 -0.475 0.607 1.00 0.00 C ATOM 438 CE1 HIS A 36 17.271 1.550 0.618 1.00 0.00 C ATOM 439 NE2 HIS A 36 16.319 0.768 1.123 1.00 0.00 N ATOM 0 H HIS A 36 16.413 -2.028 -2.222 1.00 0.00 H new ATOM 0 HA HIS A 36 19.143 -1.194 -2.659 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.190 -2.516 -0.104 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.576 -1.467 -0.321 1.00 0.00 H new ATOM 0 HD1 HIS A 36 18.935 1.236 -0.656 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.042 -1.365 0.794 1.00 0.00 H new ATOM 0 HE1 HIS A 36 17.346 2.611 0.806 1.00 0.00 H new ATOM 447 N THR A 37 18.272 -4.400 -2.248 1.00 0.00 N ATOM 448 CA THR A 37 18.634 -5.826 -2.074 1.00 0.00 C ATOM 449 C THR A 37 19.332 -6.437 -3.317 1.00 0.00 C ATOM 450 O THR A 37 20.248 -7.262 -3.189 1.00 0.00 O ATOM 451 CB THR A 37 17.365 -6.666 -1.677 1.00 0.00 C ATOM 452 OG1 THR A 37 17.720 -8.041 -1.472 1.00 0.00 O ATOM 453 CG2 THR A 37 16.233 -6.571 -2.719 1.00 0.00 C ATOM 0 H THR A 37 17.267 -4.248 -2.331 1.00 0.00 H new ATOM 0 HA THR A 37 19.364 -5.868 -1.265 1.00 0.00 H new ATOM 0 HB THR A 37 16.987 -6.238 -0.749 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.918 -8.600 -1.543 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.384 -7.171 -2.390 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.923 -5.532 -2.826 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.590 -6.943 -3.679 1.00 0.00 H new ATOM 461 N GLY A 38 18.895 -6.020 -4.511 1.00 0.00 N ATOM 462 CA GLY A 38 19.441 -6.520 -5.781 1.00 0.00 C ATOM 463 C GLY A 38 18.515 -7.537 -6.452 1.00 0.00 C ATOM 464 O GLY A 38 18.527 -7.659 -7.683 1.00 0.00 O ATOM 0 H GLY A 38 18.155 -5.328 -4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 38 19.607 -5.682 -6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.412 -6.981 -5.600 1.00 0.00 H new ATOM 468 N GLU A 39 17.753 -8.302 -5.625 1.00 0.00 N ATOM 469 CA GLU A 39 16.651 -9.200 -6.072 1.00 0.00 C ATOM 470 C GLU A 39 15.680 -8.549 -7.091 1.00 0.00 C ATOM 471 O GLU A 39 15.233 -9.220 -8.025 1.00 0.00 O ATOM 472 CB GLU A 39 15.837 -9.691 -4.839 1.00 0.00 C ATOM 473 CG GLU A 39 16.673 -10.364 -3.734 1.00 0.00 C ATOM 474 CD GLU A 39 15.821 -10.844 -2.549 1.00 0.00 C ATOM 475 OE1 GLU A 39 15.569 -10.062 -1.611 1.00 0.00 O ATOM 476 OE2 GLU A 39 15.363 -12.003 -2.563 1.00 0.00 O ATOM 0 H GLU A 39 17.888 -8.313 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 39 17.133 -10.033 -6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.310 -8.840 -4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.079 -10.396 -5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 39 17.209 -11.213 -4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 39 17.424 -9.661 -3.374 1.00 0.00 H new ATOM 483 N LYS A 40 15.372 -7.255 -6.872 1.00 0.00 N ATOM 484 CA LYS A 40 14.420 -6.470 -7.687 1.00 0.00 C ATOM 485 C LYS A 40 13.007 -7.118 -7.696 1.00 0.00 C ATOM 486 O LYS A 40 12.723 -7.958 -8.563 1.00 0.00 O ATOM 487 CB LYS A 40 14.928 -6.268 -9.156 1.00 0.00 C ATOM 488 CG LYS A 40 16.335 -5.634 -9.296 1.00 0.00 C ATOM 489 CD LYS A 40 16.830 -5.611 -10.759 1.00 0.00 C ATOM 490 CE LYS A 40 18.275 -5.090 -10.896 1.00 0.00 C ATOM 491 NZ LYS A 40 18.413 -3.672 -10.463 1.00 0.00 N ATOM 0 H LYS A 40 15.784 -6.716 -6.111 1.00 0.00 H new ATOM 0 HA LYS A 40 14.349 -5.489 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 40 14.934 -7.237 -9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.212 -5.640 -9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.312 -4.616 -8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.044 -6.192 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.771 -6.618 -11.173 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.165 -4.983 -11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.941 -5.715 -10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 40 18.594 -5.182 -11.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.398 -3.364 -10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.786 -3.072 -11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.151 -3.588 -9.460 1.00 0.00 H new ATOM 505 N PRO A 41 12.113 -6.801 -6.703 1.00 0.00 N ATOM 506 CA PRO A 41 10.673 -7.148 -6.798 1.00 0.00 C ATOM 507 C PRO A 41 9.948 -6.256 -7.832 1.00 0.00 C ATOM 508 O PRO A 41 10.562 -5.399 -8.476 1.00 0.00 O ATOM 509 CB PRO A 41 10.152 -6.920 -5.357 1.00 0.00 C ATOM 510 CG PRO A 41 11.065 -5.868 -4.799 1.00 0.00 C ATOM 511 CD PRO A 41 12.431 -6.132 -5.413 1.00 0.00 C ATOM 0 HA PRO A 41 10.498 -8.167 -7.144 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.114 -6.588 -5.357 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.194 -7.837 -4.769 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.710 -4.869 -5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.108 -5.925 -3.711 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.986 -5.207 -5.568 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.042 -6.767 -4.772 1.00 0.00 H new ATOM 519 N LEU A 42 8.644 -6.473 -7.993 1.00 0.00 N ATOM 520 CA LEU A 42 7.810 -5.736 -8.955 1.00 0.00 C ATOM 521 C LEU A 42 6.832 -4.855 -8.183 1.00 0.00 C ATOM 522 O LEU A 42 6.163 -5.334 -7.265 1.00 0.00 O ATOM 523 CB LEU A 42 7.060 -6.744 -9.855 1.00 0.00 C ATOM 524 CG LEU A 42 7.972 -7.654 -10.734 1.00 0.00 C ATOM 525 CD1 LEU A 42 7.155 -8.726 -11.475 1.00 0.00 C ATOM 526 CD2 LEU A 42 8.813 -6.812 -11.723 1.00 0.00 C ATOM 0 H LEU A 42 8.127 -7.170 -7.457 1.00 0.00 H new ATOM 0 HA LEU A 42 8.426 -5.101 -9.592 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.440 -7.380 -9.223 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.386 -6.191 -10.510 1.00 0.00 H new ATOM 0 HG LEU A 42 8.659 -8.171 -10.065 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.823 -9.341 -12.077 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.638 -9.355 -10.750 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.424 -8.243 -12.123 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.439 -7.473 -12.323 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.148 -6.249 -12.378 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.445 -6.120 -11.166 1.00 0.00 H new ATOM 538 N GLN A 43 6.751 -3.575 -8.554 1.00 0.00 N ATOM 539 CA GLN A 43 5.954 -2.579 -7.831 1.00 0.00 C ATOM 540 C GLN A 43 4.765 -2.135 -8.692 1.00 0.00 C ATOM 541 O GLN A 43 4.906 -1.931 -9.903 1.00 0.00 O ATOM 542 CB GLN A 43 6.858 -1.383 -7.441 1.00 0.00 C ATOM 543 CG GLN A 43 6.192 -0.334 -6.525 1.00 0.00 C ATOM 544 CD GLN A 43 7.186 0.700 -5.981 1.00 0.00 C ATOM 545 OE1 GLN A 43 7.783 0.500 -4.925 1.00 0.00 O ATOM 546 NE2 GLN A 43 7.386 1.799 -6.702 1.00 0.00 N ATOM 0 H GLN A 43 7.238 -3.198 -9.367 1.00 0.00 H new ATOM 0 HA GLN A 43 5.553 -3.015 -6.916 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.748 -1.767 -6.942 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.193 -0.887 -8.352 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.408 0.180 -7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.710 -0.842 -5.690 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.875 1.937 -7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.050 2.504 -6.383 1.00 0.00 H new ATOM 555 N CYS A 44 3.601 -2.004 -8.045 1.00 0.00 N ATOM 556 CA CYS A 44 2.347 -1.575 -8.684 1.00 0.00 C ATOM 557 C CYS A 44 2.486 -0.144 -9.217 1.00 0.00 C ATOM 558 O CYS A 44 2.672 0.792 -8.438 1.00 0.00 O ATOM 559 CB CYS A 44 1.195 -1.677 -7.660 1.00 0.00 C ATOM 560 SG CYS A 44 -0.340 -0.767 -8.056 1.00 0.00 S ATOM 0 H CYS A 44 3.500 -2.195 -7.048 1.00 0.00 H new ATOM 0 HA CYS A 44 2.124 -2.225 -9.530 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.943 -2.730 -7.535 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.563 -1.321 -6.698 1.00 0.00 H new ATOM 565 N GLU A 45 2.373 -0.001 -10.551 1.00 0.00 N ATOM 566 CA GLU A 45 2.640 1.250 -11.295 1.00 0.00 C ATOM 567 C GLU A 45 1.463 2.252 -11.204 1.00 0.00 C ATOM 568 O GLU A 45 1.235 3.049 -12.121 1.00 0.00 O ATOM 569 CB GLU A 45 2.942 0.877 -12.781 1.00 0.00 C ATOM 570 CG GLU A 45 4.075 -0.165 -12.968 1.00 0.00 C ATOM 571 CD GLU A 45 4.336 -0.532 -14.443 1.00 0.00 C ATOM 572 OE1 GLU A 45 3.516 -1.265 -15.034 1.00 0.00 O ATOM 573 OE2 GLU A 45 5.354 -0.086 -15.023 1.00 0.00 O ATOM 0 H GLU A 45 2.087 -0.769 -11.158 1.00 0.00 H new ATOM 0 HA GLU A 45 3.498 1.752 -10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.031 0.489 -13.237 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.208 1.785 -13.323 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.994 0.227 -12.531 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.820 -1.070 -12.416 1.00 0.00 H new ATOM 580 N ILE A 46 0.758 2.252 -10.056 1.00 0.00 N ATOM 581 CA ILE A 46 -0.486 3.011 -9.825 1.00 0.00 C ATOM 582 C ILE A 46 -0.383 3.731 -8.445 1.00 0.00 C ATOM 583 O ILE A 46 -1.184 4.611 -8.111 1.00 0.00 O ATOM 584 CB ILE A 46 -1.718 2.030 -9.785 1.00 0.00 C ATOM 585 CG1 ILE A 46 -1.829 1.154 -11.071 1.00 0.00 C ATOM 586 CG2 ILE A 46 -3.037 2.786 -9.539 1.00 0.00 C ATOM 587 CD1 ILE A 46 -1.975 1.935 -12.363 1.00 0.00 C ATOM 0 H ILE A 46 1.046 1.709 -9.242 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.622 3.733 -10.630 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.541 1.358 -8.945 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.942 0.524 -11.142 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.686 0.488 -10.967 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.864 2.077 -9.518 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.984 3.310 -8.585 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.198 3.507 -10.340 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.045 1.242 -13.201 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.878 2.544 -12.320 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.107 2.581 -12.498 1.00 0.00 H new ATOM 599 N CYS A 47 0.696 3.407 -7.716 1.00 0.00 N ATOM 600 CA CYS A 47 0.831 3.609 -6.268 1.00 0.00 C ATOM 601 C CYS A 47 2.175 2.936 -5.913 1.00 0.00 C ATOM 602 O CYS A 47 3.142 3.071 -6.680 1.00 0.00 O ATOM 603 CB CYS A 47 -0.431 3.070 -5.463 1.00 0.00 C ATOM 604 SG CYS A 47 -0.395 1.326 -4.895 1.00 0.00 S ATOM 0 H CYS A 47 1.525 2.983 -8.133 1.00 0.00 H new ATOM 0 HA CYS A 47 0.848 4.660 -5.980 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.568 3.705 -4.588 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.311 3.200 -6.092 1.00 0.00 H new ATOM 609 N GLY A 48 2.259 2.234 -4.806 1.00 0.00 N ATOM 610 CA GLY A 48 3.427 1.419 -4.454 1.00 0.00 C ATOM 611 C GLY A 48 2.936 0.162 -3.754 1.00 0.00 C ATOM 612 O GLY A 48 2.062 0.278 -2.886 1.00 0.00 O ATOM 0 H GLY A 48 1.516 2.204 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.993 1.159 -5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.099 1.979 -3.803 1.00 0.00 H new ATOM 616 N PHE A 49 3.466 -1.034 -4.081 1.00 0.00 N ATOM 617 CA PHE A 49 2.968 -2.323 -3.599 1.00 0.00 C ATOM 618 C PHE A 49 3.898 -3.315 -4.282 1.00 0.00 C ATOM 619 O PHE A 49 3.877 -3.417 -5.513 1.00 0.00 O ATOM 620 CB PHE A 49 1.490 -2.604 -3.995 1.00 0.00 C ATOM 621 CG PHE A 49 0.976 -4.012 -3.638 1.00 0.00 C ATOM 622 CD1 PHE A 49 1.217 -5.105 -4.484 1.00 0.00 C ATOM 623 CD2 PHE A 49 0.242 -4.246 -2.479 1.00 0.00 C ATOM 624 CE1 PHE A 49 0.756 -6.372 -4.173 1.00 0.00 C ATOM 625 CE2 PHE A 49 -0.223 -5.518 -2.171 1.00 0.00 C ATOM 626 CZ PHE A 49 0.031 -6.579 -3.018 1.00 0.00 C ATOM 0 H PHE A 49 4.270 -1.124 -4.702 1.00 0.00 H new ATOM 0 HA PHE A 49 2.967 -2.374 -2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.853 -1.867 -3.507 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.383 -2.456 -5.070 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.774 -4.954 -5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.031 -3.426 -1.809 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.964 -7.199 -4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.787 -5.678 -1.264 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.336 -7.566 -2.777 1.00 0.00 H new ATOM 636 N THR A 50 4.687 -4.034 -3.513 1.00 0.00 N ATOM 637 CA THR A 50 5.803 -4.803 -4.033 1.00 0.00 C ATOM 638 C THR A 50 5.568 -6.299 -3.805 1.00 0.00 C ATOM 639 O THR A 50 5.242 -6.730 -2.691 1.00 0.00 O ATOM 640 CB THR A 50 7.131 -4.327 -3.364 1.00 0.00 C ATOM 641 OG1 THR A 50 6.851 -3.919 -2.018 1.00 0.00 O ATOM 642 CG2 THR A 50 7.793 -3.163 -4.126 1.00 0.00 C ATOM 0 H THR A 50 4.573 -4.104 -2.502 1.00 0.00 H new ATOM 0 HA THR A 50 5.885 -4.640 -5.108 1.00 0.00 H new ATOM 0 HB THR A 50 7.831 -5.162 -3.382 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.081 -2.973 -1.909 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.712 -2.872 -3.618 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.025 -3.479 -5.143 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.111 -2.314 -4.157 1.00 0.00 H new ATOM 650 N CYS A 51 5.745 -7.068 -4.881 1.00 0.00 N ATOM 651 CA CYS A 51 5.556 -8.524 -4.885 1.00 0.00 C ATOM 652 C CYS A 51 6.502 -9.180 -5.898 1.00 0.00 C ATOM 653 O CYS A 51 6.881 -8.564 -6.899 1.00 0.00 O ATOM 654 CB CYS A 51 4.091 -8.876 -5.216 1.00 0.00 C ATOM 655 SG CYS A 51 3.774 -10.647 -5.292 1.00 0.00 S ATOM 0 H CYS A 51 6.027 -6.694 -5.787 1.00 0.00 H new ATOM 0 HA CYS A 51 5.788 -8.906 -3.891 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.440 -8.431 -4.463 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.825 -8.427 -6.173 1.00 0.00 H new ATOM 0 HG CYS A 51 3.551 -10.996 -6.524 1.00 0.00 H new ATOM 661 N ARG A 52 6.873 -10.438 -5.618 1.00 0.00 N ATOM 662 CA ARG A 52 7.765 -11.243 -6.473 1.00 0.00 C ATOM 663 C ARG A 52 6.983 -11.843 -7.646 1.00 0.00 C ATOM 664 O ARG A 52 7.527 -12.056 -8.735 1.00 0.00 O ATOM 665 CB ARG A 52 8.409 -12.382 -5.643 1.00 0.00 C ATOM 666 CG ARG A 52 9.106 -11.909 -4.357 1.00 0.00 C ATOM 667 CD ARG A 52 10.184 -10.854 -4.627 1.00 0.00 C ATOM 668 NE ARG A 52 10.897 -10.505 -3.388 1.00 0.00 N ATOM 669 CZ ARG A 52 12.154 -10.838 -3.104 1.00 0.00 C ATOM 670 NH1 ARG A 52 12.915 -11.450 -4.012 1.00 0.00 N ATOM 671 NH2 ARG A 52 12.653 -10.551 -1.907 1.00 0.00 N ATOM 0 H ARG A 52 6.560 -10.933 -4.783 1.00 0.00 H new ATOM 0 HA ARG A 52 8.548 -10.593 -6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.637 -13.105 -5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.136 -12.904 -6.266 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.362 -11.497 -3.675 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.558 -12.765 -3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.892 -11.232 -5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.726 -9.961 -5.052 1.00 0.00 H new ATOM 0 HE ARG A 52 10.386 -9.964 -2.690 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.535 -11.667 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.877 -11.701 -3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.074 -10.079 -1.213 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.615 -10.803 -1.682 1.00 0.00 H new ATOM 685 N GLN A 53 5.694 -12.104 -7.393 1.00 0.00 N ATOM 686 CA GLN A 53 4.781 -12.749 -8.339 1.00 0.00 C ATOM 687 C GLN A 53 4.054 -11.669 -9.152 1.00 0.00 C ATOM 688 O GLN A 53 3.237 -10.923 -8.598 1.00 0.00 O ATOM 689 CB GLN A 53 3.768 -13.623 -7.557 1.00 0.00 C ATOM 690 CG GLN A 53 4.399 -14.788 -6.767 1.00 0.00 C ATOM 691 CD GLN A 53 3.406 -15.560 -5.884 1.00 0.00 C ATOM 692 OE1 GLN A 53 3.524 -16.773 -5.705 1.00 0.00 O ATOM 693 NE2 GLN A 53 2.440 -14.864 -5.292 1.00 0.00 N ATOM 0 H GLN A 53 5.250 -11.867 -6.506 1.00 0.00 H new ATOM 0 HA GLN A 53 5.337 -13.389 -9.024 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.219 -12.986 -6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.041 -14.030 -8.260 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.859 -15.482 -7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.198 -14.395 -6.138 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.361 -13.860 -5.455 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.778 -15.334 -4.675 1.00 0.00 H new ATOM 702 N LYS A 54 4.377 -11.595 -10.457 1.00 0.00 N ATOM 703 CA LYS A 54 3.867 -10.565 -11.393 1.00 0.00 C ATOM 704 C LYS A 54 2.330 -10.476 -11.406 1.00 0.00 C ATOM 705 O LYS A 54 1.772 -9.379 -11.537 1.00 0.00 O ATOM 706 CB LYS A 54 4.441 -10.806 -12.815 1.00 0.00 C ATOM 707 CG LYS A 54 4.141 -12.192 -13.430 1.00 0.00 C ATOM 708 CD LYS A 54 4.973 -12.461 -14.702 1.00 0.00 C ATOM 709 CE LYS A 54 4.690 -13.844 -15.308 1.00 0.00 C ATOM 710 NZ LYS A 54 3.291 -13.977 -15.798 1.00 0.00 N ATOM 0 H LYS A 54 5.010 -12.259 -10.902 1.00 0.00 H new ATOM 0 HA LYS A 54 4.215 -9.596 -11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.046 -10.039 -13.482 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.522 -10.671 -12.779 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.349 -12.967 -12.692 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.080 -12.258 -13.672 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.757 -11.692 -15.443 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.033 -12.383 -14.462 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.379 -14.023 -16.133 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.884 -14.612 -14.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.171 -14.902 -16.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.633 -13.901 -14.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.090 -13.221 -16.483 1.00 0.00 H new ATOM 724 N ALA A 55 1.676 -11.634 -11.248 1.00 0.00 N ATOM 725 CA ALA A 55 0.215 -11.721 -11.141 1.00 0.00 C ATOM 726 C ALA A 55 -0.311 -10.980 -9.886 1.00 0.00 C ATOM 727 O ALA A 55 -1.242 -10.190 -9.995 1.00 0.00 O ATOM 728 CB ALA A 55 -0.241 -13.189 -11.131 1.00 0.00 C ATOM 0 H ALA A 55 2.146 -12.537 -11.191 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.208 -11.229 -12.017 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.327 -13.232 -11.051 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.074 -13.674 -12.055 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.206 -13.703 -10.280 1.00 0.00 H new ATOM 734 N SER A 56 0.302 -11.241 -8.707 1.00 0.00 N ATOM 735 CA SER A 56 -0.190 -10.709 -7.398 1.00 0.00 C ATOM 736 C SER A 56 -0.409 -9.179 -7.406 1.00 0.00 C ATOM 737 O SER A 56 -1.493 -8.699 -7.026 1.00 0.00 O ATOM 738 CB SER A 56 0.779 -11.089 -6.266 1.00 0.00 C ATOM 739 OG SER A 56 0.936 -12.491 -6.193 1.00 0.00 O ATOM 0 H SER A 56 1.140 -11.817 -8.628 1.00 0.00 H new ATOM 0 HA SER A 56 -1.163 -11.170 -7.227 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.747 -10.618 -6.436 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.403 -10.710 -5.316 1.00 0.00 H new ATOM 0 HG SER A 56 0.652 -12.806 -5.310 1.00 0.00 H new ATOM 745 N LEU A 57 0.611 -8.418 -7.852 1.00 0.00 N ATOM 746 CA LEU A 57 0.504 -6.953 -7.953 1.00 0.00 C ATOM 747 C LEU A 57 -0.414 -6.544 -9.115 1.00 0.00 C ATOM 748 O LEU A 57 -1.106 -5.543 -9.008 1.00 0.00 O ATOM 749 CB LEU A 57 1.879 -6.253 -8.084 1.00 0.00 C ATOM 750 CG LEU A 57 2.770 -6.649 -9.316 1.00 0.00 C ATOM 751 CD1 LEU A 57 3.580 -5.441 -9.838 1.00 0.00 C ATOM 752 CD2 LEU A 57 3.714 -7.825 -8.966 1.00 0.00 C ATOM 0 H LEU A 57 1.513 -8.794 -8.146 1.00 0.00 H new ATOM 0 HA LEU A 57 0.063 -6.617 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.708 -5.177 -8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.448 -6.454 -7.176 1.00 0.00 H new ATOM 0 HG LEU A 57 2.099 -6.973 -10.112 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.185 -5.750 -10.690 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.896 -4.650 -10.146 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.231 -5.070 -9.046 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.319 -8.078 -9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.367 -7.535 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.122 -8.692 -8.671 1.00 0.00 H new ATOM 764 N ASN A 58 -0.414 -7.333 -10.213 1.00 0.00 N ATOM 765 CA ASN A 58 -1.335 -7.147 -11.368 1.00 0.00 C ATOM 766 C ASN A 58 -2.812 -7.198 -10.937 1.00 0.00 C ATOM 767 O ASN A 58 -3.634 -6.406 -11.410 1.00 0.00 O ATOM 768 CB ASN A 58 -1.050 -8.216 -12.463 1.00 0.00 C ATOM 769 CG ASN A 58 -2.187 -8.415 -13.478 1.00 0.00 C ATOM 770 OD1 ASN A 58 -2.254 -7.735 -14.497 1.00 0.00 O ATOM 771 ND2 ASN A 58 -3.095 -9.347 -13.188 1.00 0.00 N ATOM 0 H ASN A 58 0.225 -8.120 -10.328 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.150 -6.156 -11.781 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.146 -7.932 -13.002 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.845 -9.169 -11.976 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.876 -9.513 -13.822 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.008 -9.894 -12.332 1.00 0.00 H new ATOM 778 N TRP A 59 -3.109 -8.097 -9.992 1.00 0.00 N ATOM 779 CA TRP A 59 -4.487 -8.331 -9.512 1.00 0.00 C ATOM 780 C TRP A 59 -4.851 -7.219 -8.531 1.00 0.00 C ATOM 781 O TRP A 59 -6.020 -6.848 -8.412 1.00 0.00 O ATOM 782 CB TRP A 59 -4.646 -9.728 -8.855 1.00 0.00 C ATOM 783 CG TRP A 59 -4.563 -10.885 -9.832 1.00 0.00 C ATOM 784 CD1 TRP A 59 -3.637 -11.887 -9.852 1.00 0.00 C ATOM 785 CD2 TRP A 59 -5.464 -11.167 -10.921 1.00 0.00 C ATOM 786 NE1 TRP A 59 -3.874 -12.738 -10.893 1.00 0.00 N ATOM 787 CE2 TRP A 59 -4.996 -12.330 -11.560 1.00 0.00 C ATOM 788 CE3 TRP A 59 -6.613 -10.544 -11.424 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -5.630 -12.881 -12.670 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -7.247 -11.095 -12.519 1.00 0.00 C ATOM 791 CH2 TRP A 59 -6.757 -12.255 -13.133 1.00 0.00 C ATOM 0 H TRP A 59 -2.409 -8.683 -9.537 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.167 -8.315 -10.364 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.873 -9.851 -8.096 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -5.606 -9.769 -8.341 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.829 -11.992 -9.143 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.305 -13.549 -11.135 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -6.997 -9.646 -10.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.247 -13.770 -13.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.137 -10.624 -12.910 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -7.277 -12.663 -13.987 1.00 0.00 H new ATOM 802 N HIS A 60 -3.813 -6.662 -7.873 1.00 0.00 N ATOM 803 CA HIS A 60 -3.951 -5.565 -6.918 1.00 0.00 C ATOM 804 C HIS A 60 -4.154 -4.232 -7.697 1.00 0.00 C ATOM 805 O HIS A 60 -4.782 -3.293 -7.194 1.00 0.00 O ATOM 806 CB HIS A 60 -2.703 -5.526 -5.979 1.00 0.00 C ATOM 807 CG HIS A 60 -2.400 -4.182 -5.387 1.00 0.00 C ATOM 808 ND1 HIS A 60 -3.063 -3.610 -4.339 1.00 0.00 N ATOM 809 CD2 HIS A 60 -1.572 -3.244 -5.857 1.00 0.00 C ATOM 810 CE1 HIS A 60 -2.614 -2.353 -4.214 1.00 0.00 C ATOM 811 NE2 HIS A 60 -1.702 -2.069 -5.135 1.00 0.00 N ATOM 0 H HIS A 60 -2.849 -6.971 -7.998 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.825 -5.714 -6.284 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.854 -6.238 -5.168 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.833 -5.864 -6.541 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -3.771 -4.058 -3.757 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.894 -3.383 -6.686 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.952 -1.659 -3.459 1.00 0.00 H new ATOM 819 N MET A 61 -3.577 -4.154 -8.911 1.00 0.00 N ATOM 820 CA MET A 61 -3.737 -2.982 -9.803 1.00 0.00 C ATOM 821 C MET A 61 -5.182 -2.899 -10.327 1.00 0.00 C ATOM 822 O MET A 61 -5.751 -1.810 -10.443 1.00 0.00 O ATOM 823 CB MET A 61 -2.722 -3.035 -10.980 1.00 0.00 C ATOM 824 CG MET A 61 -1.255 -2.867 -10.559 1.00 0.00 C ATOM 825 SD MET A 61 -0.066 -3.197 -11.884 1.00 0.00 S ATOM 826 CE MET A 61 -0.393 -1.870 -13.047 1.00 0.00 C ATOM 0 H MET A 61 -2.991 -4.892 -9.302 1.00 0.00 H new ATOM 0 HA MET A 61 -3.529 -2.082 -9.225 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.832 -3.988 -11.497 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.974 -2.253 -11.697 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.106 -1.850 -10.196 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.048 -3.537 -9.724 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.745 -2.290 -13.989 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.156 -1.207 -12.638 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.523 -1.305 -13.221 1.00 0.00 H new ATOM 836 N LYS A 62 -5.756 -4.074 -10.632 1.00 0.00 N ATOM 837 CA LYS A 62 -7.162 -4.207 -11.068 1.00 0.00 C ATOM 838 C LYS A 62 -8.160 -3.790 -9.959 1.00 0.00 C ATOM 839 O LYS A 62 -9.285 -3.368 -10.255 1.00 0.00 O ATOM 840 CB LYS A 62 -7.422 -5.655 -11.563 1.00 0.00 C ATOM 841 CG LYS A 62 -6.587 -6.047 -12.808 1.00 0.00 C ATOM 842 CD LYS A 62 -6.919 -7.454 -13.368 1.00 0.00 C ATOM 843 CE LYS A 62 -8.401 -7.610 -13.779 1.00 0.00 C ATOM 844 NZ LYS A 62 -8.838 -6.572 -14.743 1.00 0.00 N ATOM 0 H LYS A 62 -5.259 -4.963 -10.584 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.329 -3.520 -11.897 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.201 -6.351 -10.754 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.481 -5.765 -11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.751 -5.307 -13.591 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.529 -6.009 -12.550 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.286 -7.653 -14.233 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.676 -8.204 -12.616 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.550 -8.596 -14.220 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.028 -7.561 -12.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.817 -6.762 -15.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.787 -5.636 -14.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.217 -6.589 -15.577 1.00 0.00 H new ATOM 858 N LYS A 63 -7.748 -3.949 -8.687 1.00 0.00 N ATOM 859 CA LYS A 63 -8.502 -3.403 -7.528 1.00 0.00 C ATOM 860 C LYS A 63 -8.721 -1.870 -7.666 1.00 0.00 C ATOM 861 O LYS A 63 -9.783 -1.364 -7.289 1.00 0.00 O ATOM 862 CB LYS A 63 -7.806 -3.710 -6.179 1.00 0.00 C ATOM 863 CG LYS A 63 -7.340 -5.175 -5.988 1.00 0.00 C ATOM 864 CD LYS A 63 -8.437 -6.243 -6.174 1.00 0.00 C ATOM 865 CE LYS A 63 -9.475 -6.253 -5.051 1.00 0.00 C ATOM 866 NZ LYS A 63 -10.488 -7.311 -5.269 1.00 0.00 N ATOM 0 H LYS A 63 -6.898 -4.450 -8.429 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.471 -3.902 -7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.940 -3.056 -6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.492 -3.457 -5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.534 -5.378 -6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.921 -5.278 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.943 -6.071 -7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.970 -7.226 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.978 -6.413 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.966 -5.281 -4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.681 -7.798 -4.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.366 -6.883 -5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.130 -7.997 -5.964 1.00 0.00 H new ATOM 880 N HIS A 64 -7.711 -1.150 -8.222 1.00 0.00 N ATOM 881 CA HIS A 64 -7.805 0.319 -8.486 1.00 0.00 C ATOM 882 C HIS A 64 -8.693 0.618 -9.707 1.00 0.00 C ATOM 883 O HIS A 64 -9.182 1.739 -9.870 1.00 0.00 O ATOM 884 CB HIS A 64 -6.417 0.956 -8.779 1.00 0.00 C ATOM 885 CG HIS A 64 -5.365 0.839 -7.715 1.00 0.00 C ATOM 886 ND1 HIS A 64 -5.261 1.703 -6.645 1.00 0.00 N ATOM 887 CD2 HIS A 64 -4.256 0.061 -7.675 1.00 0.00 C ATOM 888 CE1 HIS A 64 -4.112 1.440 -6.018 1.00 0.00 C ATOM 889 NE2 HIS A 64 -3.462 0.456 -6.613 1.00 0.00 N ATOM 0 H HIS A 64 -6.819 -1.560 -8.498 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.232 0.746 -7.578 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.025 0.505 -9.691 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.570 2.015 -8.987 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -5.941 2.416 -6.380 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.028 -0.740 -8.363 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.761 1.963 -5.141 1.00 0.00 H new ATOM 897 N ASP A 65 -8.906 -0.393 -10.551 1.00 0.00 N ATOM 898 CA ASP A 65 -9.591 -0.232 -11.844 1.00 0.00 C ATOM 899 C ASP A 65 -11.088 -0.493 -11.646 1.00 0.00 C ATOM 900 O ASP A 65 -11.931 0.081 -12.331 1.00 0.00 O ATOM 901 CB ASP A 65 -8.989 -1.213 -12.877 1.00 0.00 C ATOM 902 CG ASP A 65 -9.712 -1.199 -14.237 1.00 0.00 C ATOM 903 OD1 ASP A 65 -9.457 -0.290 -15.053 1.00 0.00 O ATOM 904 OD2 ASP A 65 -10.538 -2.111 -14.505 1.00 0.00 O ATOM 0 H ASP A 65 -8.609 -1.350 -10.361 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.455 0.782 -12.221 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.939 -0.965 -13.031 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.022 -2.223 -12.468 1.00 0.00 H new ATOM 909 N ALA A 66 -11.381 -1.352 -10.666 1.00 0.00 N ATOM 910 CA ALA A 66 -12.738 -1.812 -10.362 1.00 0.00 C ATOM 911 C ALA A 66 -13.344 -1.042 -9.179 1.00 0.00 C ATOM 912 O ALA A 66 -14.555 -0.786 -9.167 1.00 0.00 O ATOM 913 CB ALA A 66 -12.703 -3.321 -10.063 1.00 0.00 C ATOM 0 H ALA A 66 -10.672 -1.753 -10.053 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.373 -1.623 -11.228 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.710 -3.670 -9.836 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.321 -3.856 -10.933 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.053 -3.508 -9.208 1.00 0.00 H new ATOM 919 N ASP A 67 -12.480 -0.666 -8.192 1.00 0.00 N ATOM 920 CA ASP A 67 -12.916 -0.202 -6.847 1.00 0.00 C ATOM 921 C ASP A 67 -13.834 -1.276 -6.196 1.00 0.00 C ATOM 922 O ASP A 67 -14.793 -0.996 -5.476 1.00 0.00 O ATOM 923 CB ASP A 67 -13.552 1.220 -6.936 1.00 0.00 C ATOM 924 CG ASP A 67 -14.111 1.770 -5.605 1.00 0.00 C ATOM 925 OD1 ASP A 67 -13.321 2.018 -4.669 1.00 0.00 O ATOM 926 OD2 ASP A 67 -15.347 1.934 -5.490 1.00 0.00 O ATOM 0 H ASP A 67 -11.467 -0.677 -8.309 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.057 -0.091 -6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.801 1.915 -7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.358 1.196 -7.669 1.00 0.00 H new ATOM 931 N SER A 68 -13.465 -2.532 -6.449 1.00 0.00 N ATOM 932 CA SER A 68 -14.187 -3.715 -5.951 1.00 0.00 C ATOM 933 C SER A 68 -14.201 -3.797 -4.407 1.00 0.00 C ATOM 934 O SER A 68 -15.105 -4.395 -3.813 1.00 0.00 O ATOM 935 CB SER A 68 -13.523 -4.963 -6.541 1.00 0.00 C ATOM 936 OG SER A 68 -12.140 -5.006 -6.219 1.00 0.00 O ATOM 0 H SER A 68 -12.647 -2.765 -7.012 1.00 0.00 H new ATOM 0 HA SER A 68 -15.228 -3.642 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.017 -5.857 -6.159 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.648 -4.968 -7.624 1.00 0.00 H new ATOM 0 HG SER A 68 -11.633 -5.326 -6.994 1.00 0.00 H new ATOM 942 N PHE A 69 -13.180 -3.195 -3.780 1.00 0.00 N ATOM 943 CA PHE A 69 -13.015 -3.193 -2.317 1.00 0.00 C ATOM 944 C PHE A 69 -14.024 -2.238 -1.646 1.00 0.00 C ATOM 945 O PHE A 69 -14.538 -2.544 -0.554 1.00 0.00 O ATOM 946 CB PHE A 69 -11.555 -2.810 -1.956 1.00 0.00 C ATOM 947 CG PHE A 69 -11.210 -2.909 -0.462 1.00 0.00 C ATOM 948 CD1 PHE A 69 -11.207 -4.142 0.192 1.00 0.00 C ATOM 949 CD2 PHE A 69 -10.881 -1.772 0.280 1.00 0.00 C ATOM 950 CE1 PHE A 69 -10.895 -4.236 1.539 1.00 0.00 C ATOM 951 CE2 PHE A 69 -10.570 -1.867 1.627 1.00 0.00 C ATOM 952 CZ PHE A 69 -10.577 -3.096 2.256 1.00 0.00 C ATOM 0 H PHE A 69 -12.442 -2.694 -4.274 1.00 0.00 H new ATOM 0 HA PHE A 69 -13.217 -4.195 -1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.877 -3.456 -2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.370 -1.789 -2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.452 -5.037 -0.360 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.869 -0.806 -0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.900 -5.199 2.029 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.321 -0.977 2.186 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.335 -3.168 3.306 1.00 0.00 H new ATOM 962 N TYR A 70 -14.324 -1.114 -2.340 1.00 0.00 N ATOM 963 CA TYR A 70 -15.062 0.035 -1.771 1.00 0.00 C ATOM 964 C TYR A 70 -14.459 0.432 -0.410 1.00 0.00 C ATOM 965 O TYR A 70 -14.959 0.039 0.659 1.00 0.00 O ATOM 966 CB TYR A 70 -16.584 -0.243 -1.661 1.00 0.00 C ATOM 967 CG TYR A 70 -17.284 -0.415 -3.014 1.00 0.00 C ATOM 968 CD1 TYR A 70 -17.382 -1.669 -3.628 1.00 0.00 C ATOM 969 CD2 TYR A 70 -17.838 0.681 -3.686 1.00 0.00 C ATOM 970 CE1 TYR A 70 -18.004 -1.821 -4.852 1.00 0.00 C ATOM 971 CE2 TYR A 70 -18.462 0.527 -4.910 1.00 0.00 C ATOM 972 CZ TYR A 70 -18.543 -0.725 -5.486 1.00 0.00 C ATOM 973 OH TYR A 70 -19.154 -0.879 -6.712 1.00 0.00 O ATOM 0 H TYR A 70 -14.058 -0.980 -3.316 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.952 0.875 -2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.737 -1.144 -1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -17.055 0.578 -1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.963 -2.534 -3.135 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -17.777 1.663 -3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -18.067 -2.797 -5.310 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -18.885 1.384 -5.414 1.00 0.00 H new ATOM 0 HH TYR A 70 -19.483 -0.011 -7.025 1.00 0.00 H new ATOM 983 N GLN A 71 -13.346 1.163 -0.479 1.00 0.00 N ATOM 984 CA GLN A 71 -12.567 1.555 0.715 1.00 0.00 C ATOM 985 C GLN A 71 -13.350 2.611 1.503 1.00 0.00 C ATOM 986 O GLN A 71 -13.494 2.519 2.728 1.00 0.00 O ATOM 987 CB GLN A 71 -11.116 2.073 0.353 1.00 0.00 C ATOM 988 CG GLN A 71 -10.693 2.042 -1.143 1.00 0.00 C ATOM 989 CD GLN A 71 -11.324 3.144 -2.021 1.00 0.00 C ATOM 990 OE1 GLN A 71 -12.458 3.577 -1.816 1.00 0.00 O ATOM 991 NE2 GLN A 71 -10.578 3.611 -2.999 1.00 0.00 N ATOM 0 H GLN A 71 -12.953 1.503 -1.357 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.424 0.668 1.332 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.028 3.101 0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.397 1.480 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.608 2.129 -1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.957 1.070 -1.560 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.641 3.236 -3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.936 4.348 -3.607 1.00 0.00 H new ATOM 1000 N PHE A 72 -13.852 3.603 0.759 1.00 0.00 N ATOM 1001 CA PHE A 72 -14.628 4.728 1.257 1.00 0.00 C ATOM 1002 C PHE A 72 -15.520 5.132 0.081 1.00 0.00 C ATOM 1003 O PHE A 72 -15.039 5.211 -1.049 1.00 0.00 O ATOM 1004 CB PHE A 72 -13.716 5.938 1.641 1.00 0.00 C ATOM 1005 CG PHE A 72 -12.556 5.607 2.586 1.00 0.00 C ATOM 1006 CD1 PHE A 72 -12.762 5.496 3.957 1.00 0.00 C ATOM 1007 CD2 PHE A 72 -11.265 5.380 2.095 1.00 0.00 C ATOM 1008 CE1 PHE A 72 -11.722 5.171 4.808 1.00 0.00 C ATOM 1009 CE2 PHE A 72 -10.230 5.051 2.947 1.00 0.00 C ATOM 1010 CZ PHE A 72 -10.459 4.948 4.306 1.00 0.00 C ATOM 0 H PHE A 72 -13.718 3.638 -0.252 1.00 0.00 H new ATOM 0 HA PHE A 72 -15.182 4.453 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -13.307 6.369 0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -14.335 6.705 2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -13.748 5.666 4.363 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -11.076 5.463 1.035 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -11.901 5.092 5.870 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.241 4.874 2.551 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.649 4.693 4.973 1.00 0.00 H new ATOM 1020 N SER A 73 -16.786 5.395 0.337 1.00 0.00 N ATOM 1021 CA SER A 73 -17.759 5.764 -0.695 1.00 0.00 C ATOM 1022 C SER A 73 -18.916 6.522 -0.048 1.00 0.00 C ATOM 1023 O SER A 73 -19.580 6.002 0.844 1.00 0.00 O ATOM 1024 CB SER A 73 -18.266 4.503 -1.453 1.00 0.00 C ATOM 1025 OG SER A 73 -18.776 3.519 -0.564 1.00 0.00 O ATOM 0 H SER A 73 -17.182 5.361 1.276 1.00 0.00 H new ATOM 0 HA SER A 73 -17.279 6.412 -1.429 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.044 4.793 -2.159 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.449 4.077 -2.036 1.00 0.00 H new ATOM 0 HG SER A 73 -19.181 3.958 0.213 1.00 0.00 H new ATOM 1031 N CYS A 74 -19.099 7.773 -0.484 1.00 0.00 N ATOM 1032 CA CYS A 74 -20.253 8.610 -0.115 1.00 0.00 C ATOM 1033 C CYS A 74 -21.542 7.972 -0.659 1.00 0.00 C ATOM 1034 O CYS A 74 -21.647 7.762 -1.860 1.00 0.00 O ATOM 1035 CB CYS A 74 -20.062 10.047 -0.671 1.00 0.00 C ATOM 1036 SG CYS A 74 -21.529 11.110 -0.534 1.00 0.00 S ATOM 0 H CYS A 74 -18.444 8.241 -1.110 1.00 0.00 H new ATOM 0 HA CYS A 74 -20.330 8.675 0.970 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -19.235 10.521 -0.142 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -19.773 9.982 -1.720 1.00 0.00 H new ATOM 1041 N ASN A 75 -22.496 7.646 0.229 1.00 0.00 N ATOM 1042 CA ASN A 75 -23.759 6.975 -0.145 1.00 0.00 C ATOM 1043 C ASN A 75 -24.558 7.783 -1.201 1.00 0.00 C ATOM 1044 O ASN A 75 -25.293 7.200 -2.009 1.00 0.00 O ATOM 1045 CB ASN A 75 -24.620 6.730 1.127 1.00 0.00 C ATOM 1046 CG ASN A 75 -25.876 5.885 0.869 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -25.884 4.994 0.012 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -26.945 6.160 1.600 1.00 0.00 N ATOM 0 H ASN A 75 -22.416 7.839 1.227 1.00 0.00 H new ATOM 0 HA ASN A 75 -23.508 6.018 -0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -24.007 6.234 1.880 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -24.919 7.692 1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -27.806 5.631 1.464 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -26.907 6.901 2.300 1.00 0.00 H new ATOM 1055 N ILE A 76 -24.379 9.124 -1.209 1.00 0.00 N ATOM 1056 CA ILE A 76 -25.183 10.027 -2.047 1.00 0.00 C ATOM 1057 C ILE A 76 -24.505 10.328 -3.413 1.00 0.00 C ATOM 1058 O ILE A 76 -25.203 10.377 -4.432 1.00 0.00 O ATOM 1059 CB ILE A 76 -25.547 11.366 -1.280 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -26.126 11.031 0.147 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -26.549 12.229 -2.096 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -26.817 12.175 0.877 1.00 0.00 C ATOM 0 H ILE A 76 -23.680 9.601 -0.640 1.00 0.00 H new ATOM 0 HA ILE A 76 -26.114 9.503 -2.263 1.00 0.00 H new ATOM 0 HB ILE A 76 -24.635 11.951 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -26.837 10.211 0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -25.309 10.669 0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -26.779 13.140 -1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -26.106 12.490 -3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -27.466 11.664 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -27.174 11.826 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -26.111 12.992 1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -27.662 12.527 0.285 1.00 0.00 H new ATOM 1074 N CYS A 77 -23.150 10.517 -3.474 1.00 0.00 N ATOM 1075 CA CYS A 77 -22.492 10.880 -4.764 1.00 0.00 C ATOM 1076 C CYS A 77 -21.208 10.074 -5.035 1.00 0.00 C ATOM 1077 O CYS A 77 -20.597 10.249 -6.097 1.00 0.00 O ATOM 1078 CB CYS A 77 -22.236 12.410 -4.856 1.00 0.00 C ATOM 1079 SG CYS A 77 -20.920 13.049 -3.784 1.00 0.00 S ATOM 0 H CYS A 77 -22.518 10.428 -2.679 1.00 0.00 H new ATOM 0 HA CYS A 77 -23.192 10.606 -5.553 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -21.991 12.658 -5.889 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -23.162 12.931 -4.614 1.00 0.00 H new ATOM 1084 N GLY A 78 -20.815 9.178 -4.085 1.00 0.00 N ATOM 1085 CA GLY A 78 -19.709 8.225 -4.291 1.00 0.00 C ATOM 1086 C GLY A 78 -18.368 8.870 -4.620 1.00 0.00 C ATOM 1087 O GLY A 78 -17.588 8.316 -5.395 1.00 0.00 O ATOM 0 H GLY A 78 -21.257 9.104 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -19.595 7.621 -3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -19.978 7.545 -5.099 1.00 0.00 H new ATOM 1091 N LYS A 79 -18.123 10.049 -4.033 1.00 0.00 N ATOM 1092 CA LYS A 79 -16.947 10.877 -4.343 1.00 0.00 C ATOM 1093 C LYS A 79 -15.595 10.196 -3.966 1.00 0.00 C ATOM 1094 O LYS A 79 -14.638 10.317 -4.731 1.00 0.00 O ATOM 1095 CB LYS A 79 -17.130 12.245 -3.626 1.00 0.00 C ATOM 1096 CG LYS A 79 -16.448 13.452 -4.296 1.00 0.00 C ATOM 1097 CD LYS A 79 -14.903 13.469 -4.171 1.00 0.00 C ATOM 1098 CE LYS A 79 -14.259 14.635 -4.935 1.00 0.00 C ATOM 1099 NZ LYS A 79 -12.776 14.573 -4.929 1.00 0.00 N ATOM 0 H LYS A 79 -18.736 10.458 -3.327 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.888 11.018 -5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -18.197 12.452 -3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.748 12.154 -2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -16.714 13.463 -5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -16.845 14.367 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.629 13.534 -3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.502 12.528 -4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.615 14.630 -5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.581 15.577 -4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.393 15.382 -5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.431 14.605 -3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.464 13.688 -5.377 1.00 0.00 H new ATOM 1113 N LYS A 80 -15.547 9.486 -2.796 1.00 0.00 N ATOM 1114 CA LYS A 80 -14.308 8.862 -2.219 1.00 0.00 C ATOM 1115 C LYS A 80 -13.466 9.918 -1.478 1.00 0.00 C ATOM 1116 O LYS A 80 -13.038 10.917 -2.063 1.00 0.00 O ATOM 1117 CB LYS A 80 -13.398 8.096 -3.253 1.00 0.00 C ATOM 1118 CG LYS A 80 -13.792 6.640 -3.574 1.00 0.00 C ATOM 1119 CD LYS A 80 -15.242 6.479 -4.071 1.00 0.00 C ATOM 1120 CE LYS A 80 -15.541 5.049 -4.536 1.00 0.00 C ATOM 1121 NZ LYS A 80 -15.234 4.024 -3.501 1.00 0.00 N ATOM 0 H LYS A 80 -16.374 9.329 -2.221 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.677 8.103 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.392 8.661 -4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.376 8.097 -2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.113 6.249 -4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.655 6.032 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.931 6.750 -3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.421 7.171 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.593 4.975 -4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.961 4.836 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.992 3.312 -3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.330 3.562 -3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.165 4.481 -2.569 1.00 0.00 H new ATOM 1135 N PHE A 81 -13.265 9.683 -0.174 1.00 0.00 N ATOM 1136 CA PHE A 81 -12.417 10.519 0.713 1.00 0.00 C ATOM 1137 C PHE A 81 -11.511 9.601 1.529 1.00 0.00 C ATOM 1138 O PHE A 81 -11.912 8.497 1.860 1.00 0.00 O ATOM 1139 CB PHE A 81 -13.294 11.377 1.658 1.00 0.00 C ATOM 1140 CG PHE A 81 -14.232 12.324 0.922 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -15.464 11.880 0.435 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -13.873 13.648 0.687 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -16.296 12.727 -0.250 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -14.715 14.493 -0.002 1.00 0.00 C ATOM 1145 CZ PHE A 81 -15.919 14.034 -0.471 1.00 0.00 C ATOM 0 H PHE A 81 -13.692 8.894 0.311 1.00 0.00 H new ATOM 0 HA PHE A 81 -11.815 11.195 0.106 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -13.883 10.716 2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -12.646 11.957 2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -15.765 10.856 0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -12.924 14.017 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -17.247 12.370 -0.617 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -14.426 15.519 -0.173 1.00 0.00 H new ATOM 0 HZ PHE A 81 -16.574 14.699 -1.015 1.00 0.00 H new ATOM 1155 N GLU A 82 -10.304 10.076 1.882 1.00 0.00 N ATOM 1156 CA GLU A 82 -9.272 9.252 2.563 1.00 0.00 C ATOM 1157 C GLU A 82 -9.684 8.737 3.972 1.00 0.00 C ATOM 1158 O GLU A 82 -8.984 7.904 4.552 1.00 0.00 O ATOM 1159 CB GLU A 82 -7.917 10.023 2.619 1.00 0.00 C ATOM 1160 CG GLU A 82 -7.852 11.233 3.583 1.00 0.00 C ATOM 1161 CD GLU A 82 -8.839 12.372 3.256 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -8.771 12.938 2.143 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -9.698 12.692 4.098 1.00 0.00 O ATOM 0 H GLU A 82 -10.010 11.037 1.707 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.158 8.353 1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.135 9.319 2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.682 10.374 1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.046 10.883 4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.839 11.635 3.572 1.00 0.00 H new ATOM 1170 N LYS A 83 -10.814 9.223 4.509 1.00 0.00 N ATOM 1171 CA LYS A 83 -11.393 8.722 5.749 1.00 0.00 C ATOM 1172 C LYS A 83 -12.906 8.931 5.708 1.00 0.00 C ATOM 1173 O LYS A 83 -13.390 9.902 5.107 1.00 0.00 O ATOM 1174 CB LYS A 83 -10.745 9.423 6.973 1.00 0.00 C ATOM 1175 CG LYS A 83 -10.822 10.960 6.944 1.00 0.00 C ATOM 1176 CD LYS A 83 -10.116 11.612 8.145 1.00 0.00 C ATOM 1177 CE LYS A 83 -10.214 13.144 8.112 1.00 0.00 C ATOM 1178 NZ LYS A 83 -9.576 13.717 6.901 1.00 0.00 N ATOM 0 H LYS A 83 -11.350 9.981 4.086 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.192 7.656 5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.231 9.065 7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.698 9.126 7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.372 11.325 6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.868 11.267 6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.558 11.241 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.067 11.317 8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.262 13.441 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.739 13.557 9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.177 14.650 7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.816 13.085 6.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.287 13.818 6.149 1.00 0.00 H new ATOM 1192 N LYS A 84 -13.639 8.009 6.338 1.00 0.00 N ATOM 1193 CA LYS A 84 -15.111 8.068 6.468 1.00 0.00 C ATOM 1194 C LYS A 84 -15.539 9.336 7.224 1.00 0.00 C ATOM 1195 O LYS A 84 -16.639 9.837 7.026 1.00 0.00 O ATOM 1196 CB LYS A 84 -15.652 6.810 7.193 1.00 0.00 C ATOM 1197 CG LYS A 84 -15.357 5.475 6.472 1.00 0.00 C ATOM 1198 CD LYS A 84 -15.940 4.242 7.204 1.00 0.00 C ATOM 1199 CE LYS A 84 -15.394 4.072 8.637 1.00 0.00 C ATOM 1200 NZ LYS A 84 -15.968 2.890 9.324 1.00 0.00 N ATOM 0 H LYS A 84 -13.228 7.187 6.780 1.00 0.00 H new ATOM 0 HA LYS A 84 -15.534 8.099 5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.222 6.770 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.730 6.912 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.767 5.517 5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.278 5.354 6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.026 4.331 7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.715 3.345 6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.309 3.976 8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.615 4.969 9.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.571 2.819 10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.001 2.991 9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.735 2.030 8.788 1.00 0.00 H new ATOM 1214 N ASP A 85 -14.652 9.818 8.106 1.00 0.00 N ATOM 1215 CA ASP A 85 -14.822 11.096 8.818 1.00 0.00 C ATOM 1216 C ASP A 85 -15.026 12.262 7.839 1.00 0.00 C ATOM 1217 O ASP A 85 -15.889 13.111 8.063 1.00 0.00 O ATOM 1218 CB ASP A 85 -13.602 11.364 9.735 1.00 0.00 C ATOM 1219 CG ASP A 85 -13.427 10.301 10.834 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -13.118 9.135 10.500 1.00 0.00 O ATOM 1221 OD2 ASP A 85 -13.587 10.618 12.030 1.00 0.00 O ATOM 0 H ASP A 85 -13.790 9.330 8.348 1.00 0.00 H new ATOM 0 HA ASP A 85 -15.718 11.021 9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.699 11.400 9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -13.713 12.344 10.200 1.00 0.00 H new ATOM 1226 N SER A 86 -14.241 12.277 6.739 1.00 0.00 N ATOM 1227 CA SER A 86 -14.383 13.286 5.684 1.00 0.00 C ATOM 1228 C SER A 86 -15.674 13.066 4.875 1.00 0.00 C ATOM 1229 O SER A 86 -16.232 14.012 4.357 1.00 0.00 O ATOM 1230 CB SER A 86 -13.155 13.303 4.751 1.00 0.00 C ATOM 1231 OG SER A 86 -11.988 13.721 5.428 1.00 0.00 O ATOM 0 H SER A 86 -13.502 11.596 6.565 1.00 0.00 H new ATOM 0 HA SER A 86 -14.447 14.259 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.998 12.307 4.338 1.00 0.00 H new ATOM 0 HB3 SER A 86 -13.346 13.970 3.910 1.00 0.00 H new ATOM 0 HG SER A 86 -11.544 14.425 4.911 1.00 0.00 H new ATOM 1237 N VAL A 87 -16.133 11.802 4.777 1.00 0.00 N ATOM 1238 CA VAL A 87 -17.316 11.411 3.964 1.00 0.00 C ATOM 1239 C VAL A 87 -18.616 11.901 4.648 1.00 0.00 C ATOM 1240 O VAL A 87 -19.509 12.466 4.000 1.00 0.00 O ATOM 1241 CB VAL A 87 -17.372 9.840 3.764 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -18.671 9.391 3.057 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -16.129 9.319 2.990 1.00 0.00 C ATOM 0 H VAL A 87 -15.696 11.016 5.259 1.00 0.00 H new ATOM 0 HA VAL A 87 -17.225 11.880 2.984 1.00 0.00 H new ATOM 0 HB VAL A 87 -17.366 9.400 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -18.666 8.307 2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -19.532 9.688 3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -18.732 9.861 2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -16.201 8.238 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -16.088 9.790 2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -15.225 9.563 3.547 1.00 0.00 H new ATOM 1253 N VAL A 88 -18.671 11.677 5.961 1.00 0.00 N ATOM 1254 CA VAL A 88 -19.816 12.019 6.824 1.00 0.00 C ATOM 1255 C VAL A 88 -19.873 13.539 7.018 1.00 0.00 C ATOM 1256 O VAL A 88 -20.955 14.151 6.987 1.00 0.00 O ATOM 1257 CB VAL A 88 -19.727 11.276 8.218 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -20.862 11.720 9.186 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -19.749 9.732 8.023 1.00 0.00 C ATOM 0 H VAL A 88 -17.904 11.242 6.473 1.00 0.00 H new ATOM 0 HA VAL A 88 -20.733 11.685 6.338 1.00 0.00 H new ATOM 0 HB VAL A 88 -18.778 11.557 8.674 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -20.764 11.186 10.131 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -20.788 12.792 9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -21.830 11.493 8.740 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -19.687 9.242 8.994 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -20.676 9.441 7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.900 9.431 7.409 1.00 0.00 H new ATOM 1269 N ALA A 89 -18.675 14.142 7.174 1.00 0.00 N ATOM 1270 CA ALA A 89 -18.524 15.596 7.312 1.00 0.00 C ATOM 1271 C ALA A 89 -18.931 16.282 6.003 1.00 0.00 C ATOM 1272 O ALA A 89 -19.570 17.335 6.010 1.00 0.00 O ATOM 1273 CB ALA A 89 -17.082 15.973 7.681 1.00 0.00 C ATOM 0 H ALA A 89 -17.792 13.632 7.207 1.00 0.00 H new ATOM 0 HA ALA A 89 -19.174 15.935 8.118 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.002 17.056 7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -16.815 15.505 8.628 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.404 15.626 6.901 1.00 0.00 H new ATOM 1279 N HIS A 90 -18.583 15.623 4.880 1.00 0.00 N ATOM 1280 CA HIS A 90 -18.916 16.092 3.522 1.00 0.00 C ATOM 1281 C HIS A 90 -20.412 15.923 3.242 1.00 0.00 C ATOM 1282 O HIS A 90 -20.977 16.681 2.486 1.00 0.00 O ATOM 1283 CB HIS A 90 -18.059 15.336 2.454 1.00 0.00 C ATOM 1284 CG HIS A 90 -18.710 15.083 1.121 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -18.671 15.951 0.066 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -19.409 14.004 0.697 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -19.329 15.386 -0.941 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -19.797 14.196 -0.608 1.00 0.00 N ATOM 0 H HIS A 90 -18.061 14.747 4.891 1.00 0.00 H new ATOM 0 HA HIS A 90 -18.679 17.154 3.458 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.146 15.907 2.284 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -17.761 14.376 2.875 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -18.219 16.865 0.054 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -19.628 13.129 1.291 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -19.464 15.842 -1.910 1.00 0.00 H new ATOM 1296 N LYS A 91 -21.031 14.892 3.822 1.00 0.00 N ATOM 1297 CA LYS A 91 -22.456 14.606 3.591 1.00 0.00 C ATOM 1298 C LYS A 91 -23.315 15.661 4.304 1.00 0.00 C ATOM 1299 O LYS A 91 -24.318 16.133 3.775 1.00 0.00 O ATOM 1300 CB LYS A 91 -22.823 13.185 4.074 1.00 0.00 C ATOM 1301 CG LYS A 91 -24.246 12.738 3.676 1.00 0.00 C ATOM 1302 CD LYS A 91 -24.673 11.409 4.330 1.00 0.00 C ATOM 1303 CE LYS A 91 -24.811 11.516 5.853 1.00 0.00 C ATOM 1304 NZ LYS A 91 -25.822 12.527 6.241 1.00 0.00 N ATOM 0 H LYS A 91 -20.571 14.239 4.456 1.00 0.00 H new ATOM 0 HA LYS A 91 -22.653 14.650 2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -22.103 12.476 3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -22.730 13.145 5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -24.955 13.517 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -24.297 12.634 2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -25.624 11.089 3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -23.941 10.639 4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -25.091 10.545 6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -23.847 11.779 6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -26.049 12.421 7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -25.443 13.480 6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -26.684 12.390 5.676 1.00 0.00 H new ATOM 1318 N ALA A 92 -22.865 16.045 5.503 1.00 0.00 N ATOM 1319 CA ALA A 92 -23.515 17.075 6.312 1.00 0.00 C ATOM 1320 C ALA A 92 -23.236 18.496 5.774 1.00 0.00 C ATOM 1321 O ALA A 92 -23.938 19.448 6.123 1.00 0.00 O ATOM 1322 CB ALA A 92 -23.062 16.935 7.776 1.00 0.00 C ATOM 0 H ALA A 92 -22.034 15.646 5.940 1.00 0.00 H new ATOM 0 HA ALA A 92 -24.594 16.929 6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.545 17.702 8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -23.339 15.949 8.150 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -21.980 17.054 7.835 1.00 0.00 H new ATOM 1328 N LYS A 93 -22.194 18.638 4.928 1.00 0.00 N ATOM 1329 CA LYS A 93 -21.779 19.929 4.364 1.00 0.00 C ATOM 1330 C LYS A 93 -22.351 20.139 2.937 1.00 0.00 C ATOM 1331 O LYS A 93 -22.891 21.207 2.624 1.00 0.00 O ATOM 1332 CB LYS A 93 -20.231 19.956 4.351 1.00 0.00 C ATOM 1333 CG LYS A 93 -19.599 21.180 3.679 1.00 0.00 C ATOM 1334 CD LYS A 93 -19.946 22.527 4.364 1.00 0.00 C ATOM 1335 CE LYS A 93 -19.219 23.726 3.717 1.00 0.00 C ATOM 1336 NZ LYS A 93 -19.583 25.004 4.370 1.00 0.00 N ATOM 0 H LYS A 93 -21.618 17.855 4.619 1.00 0.00 H new ATOM 0 HA LYS A 93 -22.170 20.743 4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -19.875 19.904 5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -19.873 19.060 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -18.516 21.058 3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -19.924 21.219 2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -21.023 22.689 4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -19.681 22.473 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -18.141 23.577 3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -19.469 23.775 2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.076 25.786 3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -20.608 25.158 4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -19.321 24.967 5.376 1.00 0.00 H new ATOM 1350 N SER A 94 -22.246 19.100 2.106 1.00 0.00 N ATOM 1351 CA SER A 94 -22.503 19.156 0.654 1.00 0.00 C ATOM 1352 C SER A 94 -23.902 18.605 0.308 1.00 0.00 C ATOM 1353 O SER A 94 -24.422 18.837 -0.787 1.00 0.00 O ATOM 1354 CB SER A 94 -21.395 18.365 -0.092 1.00 0.00 C ATOM 1355 OG SER A 94 -21.564 18.386 -1.495 1.00 0.00 O ATOM 0 H SER A 94 -21.974 18.171 2.426 1.00 0.00 H new ATOM 0 HA SER A 94 -22.481 20.197 0.333 1.00 0.00 H new ATOM 0 HB2 SER A 94 -20.421 18.786 0.159 1.00 0.00 H new ATOM 0 HB3 SER A 94 -21.395 17.332 0.255 1.00 0.00 H new ATOM 0 HG SER A 94 -20.842 17.877 -1.919 1.00 0.00 H new ATOM 1361 N HIS A 95 -24.520 17.894 1.276 1.00 0.00 N ATOM 1362 CA HIS A 95 -25.882 17.330 1.142 1.00 0.00 C ATOM 1363 C HIS A 95 -26.715 17.632 2.432 1.00 0.00 C ATOM 1364 O HIS A 95 -27.475 16.760 2.875 1.00 0.00 O ATOM 1365 CB HIS A 95 -25.805 15.778 0.918 1.00 0.00 C ATOM 1366 CG HIS A 95 -24.822 15.292 -0.115 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -24.780 15.719 -1.420 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -23.839 14.369 0.007 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -23.792 15.053 -2.038 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -23.196 14.215 -1.208 1.00 0.00 N ATOM 0 H HIS A 95 -24.086 17.694 2.177 1.00 0.00 H new ATOM 0 HA HIS A 95 -26.368 17.791 0.283 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -25.558 15.309 1.870 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -26.797 15.425 0.636 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -25.391 16.418 -1.844 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -23.595 13.835 0.913 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -23.520 15.184 -3.075 1.00 0.00 H new ATOM 1378 N PRO A 96 -26.647 18.882 3.030 1.00 0.00 N ATOM 1379 CA PRO A 96 -27.137 19.134 4.419 1.00 0.00 C ATOM 1380 C PRO A 96 -28.659 18.935 4.591 1.00 0.00 C ATOM 1381 O PRO A 96 -29.119 18.612 5.689 1.00 0.00 O ATOM 1382 CB PRO A 96 -26.726 20.606 4.676 1.00 0.00 C ATOM 1383 CG PRO A 96 -26.687 21.225 3.316 1.00 0.00 C ATOM 1384 CD PRO A 96 -26.167 20.142 2.398 1.00 0.00 C ATOM 0 HA PRO A 96 -26.710 18.425 5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -27.444 21.112 5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -25.755 20.667 5.168 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -27.678 21.559 3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -26.036 22.099 3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -26.555 20.255 1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -25.080 20.165 2.327 1.00 0.00 H new ATOM 1392 N GLU A 97 -29.427 19.169 3.511 1.00 0.00 N ATOM 1393 CA GLU A 97 -30.857 18.880 3.450 1.00 0.00 C ATOM 1394 C GLU A 97 -31.178 18.313 2.054 1.00 0.00 C ATOM 1395 O GLU A 97 -31.284 19.069 1.082 1.00 0.00 O ATOM 1396 CB GLU A 97 -31.702 20.148 3.762 1.00 0.00 C ATOM 1397 CG GLU A 97 -33.222 19.897 3.875 1.00 0.00 C ATOM 1398 CD GLU A 97 -34.025 21.146 4.274 1.00 0.00 C ATOM 1399 OE1 GLU A 97 -34.130 21.431 5.487 1.00 0.00 O ATOM 1400 OE2 GLU A 97 -34.541 21.856 3.386 1.00 0.00 O ATOM 0 H GLU A 97 -29.059 19.570 2.648 1.00 0.00 H new ATOM 0 HA GLU A 97 -31.117 18.142 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -31.349 20.583 4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -31.526 20.887 2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -33.593 19.527 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -33.398 19.112 4.610 1.00 0.00 H new ATOM 1407 N VAL A 98 -31.254 16.977 1.960 1.00 0.00 N ATOM 1408 CA VAL A 98 -31.615 16.242 0.728 1.00 0.00 C ATOM 1409 C VAL A 98 -32.684 15.167 1.060 1.00 0.00 C ATOM 1410 O VAL A 98 -33.814 15.243 0.543 1.00 0.00 O ATOM 1411 CB VAL A 98 -30.350 15.550 0.071 1.00 0.00 C ATOM 1412 CG1 VAL A 98 -30.722 14.724 -1.191 1.00 0.00 C ATOM 1413 CG2 VAL A 98 -29.261 16.593 -0.261 1.00 0.00 C ATOM 1414 OXT VAL A 98 -32.387 14.265 1.872 1.00 0.00 O ATOM 0 H VAL A 98 -31.064 16.361 2.750 1.00 0.00 H new ATOM 0 HA VAL A 98 -32.016 16.959 0.011 1.00 0.00 H new ATOM 0 HB VAL A 98 -29.951 14.853 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -29.823 14.269 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -31.431 13.943 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -31.173 15.380 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -28.403 16.093 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -29.661 17.327 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -28.949 17.097 0.654 1.00 0.00 H new TER 1424 VAL A 98 HETATM 1425 ZN ZN A 101 15.653 0.841 3.136 1.00 0.00 ZN HETATM 1426 ZN ZN A 102 -1.576 -0.267 -6.133 1.00 0.00 ZN HETATM 1427 ZN ZN A 103 -21.379 13.230 -1.506 1.00 0.00 ZN