USER MOD reduce.3.24.130724 H: found=0, std=0, add=1187, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1182 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 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 81 HIS HE2 : A 81 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 111 HIS HE2 : A 111 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 115 HIS HE2 : A 115 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 141 HIS HE2 : A 141 HIS NE2 : A 801 ZNZN :(H bumps) USER MOD NoAdj-H: A 145 HIS HE2 : A 145 HIS NE2 : A 801 ZNZN :(H bumps) USER MOD Set 1.1: A 147 SER OG : rot 180:sc= 0.0001 USER MOD Set 1.2: A 149 LYS NZ :NH3+ -172:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0456 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 62:sc= 0.323 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -1.51 F(o=-4.4!,f=-1.5) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0371 K(o=-0.037,f=-1.6!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.599 (180deg=-0.624) USER MOD Single : A 23 GLN : amide:sc= -3.09! C(o=-3.1!,f=-4.5!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 130:sc= -0.258 (180deg=-0.953) USER MOD Single : A 29 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.471) USER MOD Single : A 30 SER OG : rot -169:sc= -0.365 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 38 MET CE :methyl 175:sc= -7.79 (180deg=-8.12!) USER MOD Single : A 39 HIS : no HD1:sc= -0.0819 X(o=-0.082,f=-0.0086) USER MOD Single : A 43 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 46 THR OG1 : rot 79:sc= 1.13 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -4.65! C(o=-4.7!,f=-5.1!) USER MOD Single : A 56 ASN : amide:sc= -0.0967 K(o=-0.097,f=-1.8!) USER MOD Single : A 57 ASN : amide:sc= -0.34 X(o=-0.34,f=0) USER MOD Single : A 58 HIS : no HE2:sc= -2.35 X(o=-2.3,f=-2.7!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 152:sc= -0.554 (180deg=-1.81!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -116:sc= -0.705 (180deg=-2.67!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -4.02! C(o=-4!,f=-5.9!) USER MOD Single : A 86 THR OG1 : rot -60:sc= 0.828 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0.00205 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 109 LYS NZ :NH3+ -127:sc= -1.87 (180deg=-3.97!) USER MOD Single : A 112 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.59) USER MOD Single : A 114 THR OG1 : rot -29:sc= 0.265 USER MOD Single : A 116 THR OG1 : rot -29:sc= 0.216 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 148:sc= -0.0795 (180deg=-1.26!) USER MOD Single : A 134 ASN : amide:sc= -3.11! C(o=-3.1!,f=-5.9!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 MET CE :methyl -141:sc= -2.03 (180deg=-5.69!) USER MOD Single : A 143 HIS : no HD1:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 180:sc=0.000563 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.926 -3.477 -46.645 1.00 0.00 N ATOM 2 CA GLY A 1 -34.041 -3.880 -45.568 1.00 0.00 C ATOM 3 C GLY A 1 -32.804 -3.008 -45.477 1.00 0.00 C ATOM 4 O GLY A 1 -32.363 -2.438 -46.474 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.735 -2.955 -46.252 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.409 -2.866 -47.309 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.269 -4.321 -47.147 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.582 -3.838 -44.623 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.741 -4.917 -45.718 1.00 0.00 H new ATOM 8 N SER A 2 -32.244 -2.902 -44.276 1.00 0.00 N ATOM 9 CA SER A 2 -31.054 -2.088 -44.057 1.00 0.00 C ATOM 10 C SER A 2 -29.959 -2.901 -43.371 1.00 0.00 C ATOM 11 O SER A 2 -29.502 -2.552 -42.283 1.00 0.00 O ATOM 12 CB SER A 2 -31.398 -0.860 -43.212 1.00 0.00 C ATOM 13 OG SER A 2 -31.994 0.153 -44.004 1.00 0.00 O ATOM 0 H SER A 2 -32.595 -3.369 -43.440 1.00 0.00 H new ATOM 0 HA SER A 2 -30.685 -1.759 -45.029 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.078 -1.146 -42.409 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.494 -0.473 -42.741 1.00 0.00 H new ATOM 0 HG SER A 2 -32.206 0.926 -43.441 1.00 0.00 H new ATOM 19 N SER A 3 -29.544 -3.986 -44.017 1.00 0.00 N ATOM 20 CA SER A 3 -28.506 -4.851 -43.469 1.00 0.00 C ATOM 21 C SER A 3 -27.285 -4.882 -44.385 1.00 0.00 C ATOM 22 O SER A 3 -26.849 -5.946 -44.821 1.00 0.00 O ATOM 23 CB SER A 3 -29.045 -6.269 -43.272 1.00 0.00 C ATOM 24 OG SER A 3 -29.421 -6.848 -44.509 1.00 0.00 O ATOM 0 H SER A 3 -29.911 -4.287 -44.920 1.00 0.00 H new ATOM 0 HA SER A 3 -28.204 -4.447 -42.503 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.285 -6.887 -42.794 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.904 -6.245 -42.602 1.00 0.00 H new ATOM 0 HG SER A 3 -28.634 -6.920 -45.089 1.00 0.00 H new ATOM 30 N GLY A 4 -26.739 -3.704 -44.672 1.00 0.00 N ATOM 31 CA GLY A 4 -25.574 -3.617 -45.534 1.00 0.00 C ATOM 32 C GLY A 4 -24.273 -3.668 -44.757 1.00 0.00 C ATOM 33 O GLY A 4 -24.206 -4.268 -43.685 1.00 0.00 O ATOM 0 H GLY A 4 -27.082 -2.809 -44.323 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.596 -4.435 -46.254 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.617 -2.689 -46.105 1.00 0.00 H new ATOM 37 N SER A 5 -23.237 -3.038 -45.300 1.00 0.00 N ATOM 38 CA SER A 5 -21.930 -3.018 -44.654 1.00 0.00 C ATOM 39 C SER A 5 -21.458 -1.586 -44.425 1.00 0.00 C ATOM 40 O SER A 5 -21.541 -0.743 -45.318 1.00 0.00 O ATOM 41 CB SER A 5 -20.906 -3.774 -45.503 1.00 0.00 C ATOM 42 OG SER A 5 -19.704 -3.987 -44.784 1.00 0.00 O ATOM 0 H SER A 5 -23.277 -2.534 -46.186 1.00 0.00 H new ATOM 0 HA SER A 5 -22.024 -3.510 -43.686 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.323 -4.732 -45.813 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.695 -3.210 -46.411 1.00 0.00 H new ATOM 0 HG SER A 5 -19.067 -4.473 -45.348 1.00 0.00 H new ATOM 48 N SER A 6 -20.964 -1.318 -43.221 1.00 0.00 N ATOM 49 CA SER A 6 -20.482 0.014 -42.871 1.00 0.00 C ATOM 50 C SER A 6 -19.024 0.190 -43.284 1.00 0.00 C ATOM 51 O SER A 6 -18.150 -0.562 -42.855 1.00 0.00 O ATOM 52 CB SER A 6 -20.631 0.254 -41.368 1.00 0.00 C ATOM 53 OG SER A 6 -21.947 -0.041 -40.932 1.00 0.00 O ATOM 0 H SER A 6 -20.887 -2.005 -42.471 1.00 0.00 H new ATOM 0 HA SER A 6 -21.085 0.745 -43.410 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.917 -0.366 -40.825 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.392 1.292 -41.137 1.00 0.00 H new ATOM 0 HG SER A 6 -22.016 0.119 -39.968 1.00 0.00 H new ATOM 59 N GLY A 7 -18.769 1.191 -44.122 1.00 0.00 N ATOM 60 CA GLY A 7 -17.416 1.448 -44.580 1.00 0.00 C ATOM 61 C GLY A 7 -16.800 2.663 -43.913 1.00 0.00 C ATOM 62 O GLY A 7 -16.380 3.602 -44.588 1.00 0.00 O ATOM 0 H GLY A 7 -19.475 1.828 -44.491 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.796 0.574 -44.381 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.423 1.594 -45.660 1.00 0.00 H new ATOM 66 N GLN A 8 -16.748 2.645 -42.585 1.00 0.00 N ATOM 67 CA GLN A 8 -16.181 3.754 -41.828 1.00 0.00 C ATOM 68 C GLN A 8 -14.715 3.495 -41.499 1.00 0.00 C ATOM 69 O GLN A 8 -14.297 2.361 -41.266 1.00 0.00 O ATOM 70 CB GLN A 8 -16.974 3.978 -40.539 1.00 0.00 C ATOM 71 CG GLN A 8 -18.257 4.768 -40.743 1.00 0.00 C ATOM 72 CD GLN A 8 -19.413 3.898 -41.196 1.00 0.00 C ATOM 73 OE1 GLN A 8 -19.356 3.438 -42.440 1.00 0.00 O flip ATOM 74 NE2 GLN A 8 -20.347 3.642 -40.435 1.00 0.00 N flip ATOM 0 H GLN A 8 -17.092 1.875 -42.011 1.00 0.00 H new ATOM 0 HA GLN A 8 -16.243 4.651 -42.444 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -17.219 3.011 -40.100 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -16.344 4.503 -39.821 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -18.525 5.265 -39.811 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -18.084 5.550 -41.483 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -20.350 4.017 -39.487 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -21.118 3.055 -40.753 1.00 0.00 H new ATOM 83 N PRO A 9 -13.914 4.571 -41.479 1.00 0.00 N ATOM 84 CA PRO A 9 -12.481 4.485 -41.179 1.00 0.00 C ATOM 85 C PRO A 9 -12.215 4.137 -39.718 1.00 0.00 C ATOM 86 O PRO A 9 -13.124 3.740 -38.989 1.00 0.00 O ATOM 87 CB PRO A 9 -11.968 5.892 -41.496 1.00 0.00 C ATOM 88 CG PRO A 9 -13.156 6.775 -41.330 1.00 0.00 C ATOM 89 CD PRO A 9 -14.344 5.953 -41.747 1.00 0.00 C ATOM 0 HA PRO A 9 -11.990 3.698 -41.752 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.163 6.181 -40.821 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.571 5.949 -42.509 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.254 7.107 -40.296 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.066 7.670 -41.945 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.234 6.215 -41.175 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.586 6.102 -42.799 1.00 0.00 H new ATOM 97 N ILE A 10 -10.964 4.290 -39.297 1.00 0.00 N ATOM 98 CA ILE A 10 -10.579 3.993 -37.923 1.00 0.00 C ATOM 99 C ILE A 10 -10.309 5.273 -37.139 1.00 0.00 C ATOM 100 O ILE A 10 -9.537 6.129 -37.572 1.00 0.00 O ATOM 101 CB ILE A 10 -9.326 3.099 -37.870 1.00 0.00 C ATOM 102 CG1 ILE A 10 -9.422 1.987 -38.917 1.00 0.00 C ATOM 103 CG2 ILE A 10 -9.155 2.509 -36.478 1.00 0.00 C ATOM 104 CD1 ILE A 10 -8.151 1.179 -39.058 1.00 0.00 C ATOM 0 H ILE A 10 -10.200 4.618 -39.888 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.415 3.461 -37.469 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.452 3.710 -38.095 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.241 1.318 -38.651 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -9.672 2.428 -39.882 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.265 1.880 -36.456 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.047 3.315 -35.752 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.030 1.909 -36.227 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.291 0.409 -39.817 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.333 1.836 -39.354 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.911 0.709 -38.104 1.00 0.00 H new ATOM 116 N LYS A 11 -10.950 5.398 -35.982 1.00 0.00 N ATOM 117 CA LYS A 11 -10.779 6.571 -35.134 1.00 0.00 C ATOM 118 C LYS A 11 -10.003 6.220 -33.869 1.00 0.00 C ATOM 119 O LYS A 11 -10.261 5.195 -33.237 1.00 0.00 O ATOM 120 CB LYS A 11 -12.141 7.161 -34.763 1.00 0.00 C ATOM 121 CG LYS A 11 -13.129 7.182 -35.916 1.00 0.00 C ATOM 122 CD LYS A 11 -13.031 8.474 -36.711 1.00 0.00 C ATOM 123 CE LYS A 11 -11.679 8.606 -37.395 1.00 0.00 C ATOM 124 NZ LYS A 11 -11.756 9.454 -38.617 1.00 0.00 N ATOM 0 H LYS A 11 -11.594 4.700 -35.610 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.209 7.313 -35.694 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.566 6.584 -33.942 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.000 8.178 -34.398 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.940 6.334 -36.574 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.142 7.067 -35.530 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.823 8.503 -37.459 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.189 9.324 -36.047 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.960 9.037 -36.698 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.309 7.616 -37.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.815 9.519 -39.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.423 9.029 -39.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.084 10.406 -38.359 1.00 0.00 H new ATOM 138 N GLN A 12 -9.054 7.076 -33.504 1.00 0.00 N ATOM 139 CA GLN A 12 -8.243 6.854 -32.313 1.00 0.00 C ATOM 140 C GLN A 12 -8.815 7.607 -31.117 1.00 0.00 C ATOM 141 O GLN A 12 -8.925 8.833 -31.138 1.00 0.00 O ATOM 142 CB GLN A 12 -6.800 7.294 -32.565 1.00 0.00 C ATOM 143 CG GLN A 12 -5.783 6.572 -31.695 1.00 0.00 C ATOM 144 CD GLN A 12 -5.512 5.157 -32.167 1.00 0.00 C ATOM 145 OE1 GLN A 12 -5.866 4.785 -33.286 1.00 0.00 O ATOM 146 NE2 GLN A 12 -4.879 4.360 -31.315 1.00 0.00 N ATOM 0 H GLN A 12 -8.828 7.929 -34.016 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.257 5.788 -32.088 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.555 7.124 -33.613 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.720 8.367 -32.389 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.849 7.135 -31.691 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.144 6.545 -30.667 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.604 4.710 -30.397 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.668 3.397 -31.578 1.00 0.00 H new ATOM 155 N GLU A 13 -9.178 6.865 -30.075 1.00 0.00 N ATOM 156 CA GLU A 13 -9.741 7.464 -28.870 1.00 0.00 C ATOM 157 C GLU A 13 -8.636 7.981 -27.953 1.00 0.00 C ATOM 158 O GLU A 13 -7.668 7.275 -27.669 1.00 0.00 O ATOM 159 CB GLU A 13 -10.605 6.446 -28.123 1.00 0.00 C ATOM 160 CG GLU A 13 -10.520 6.569 -26.611 1.00 0.00 C ATOM 161 CD GLU A 13 -10.693 7.997 -26.131 1.00 0.00 C ATOM 162 OE1 GLU A 13 -11.143 8.841 -26.934 1.00 0.00 O ATOM 163 OE2 GLU A 13 -10.379 8.270 -24.954 1.00 0.00 O ATOM 0 H GLU A 13 -9.092 5.849 -30.041 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.364 8.306 -29.171 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.643 6.568 -28.431 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.302 5.441 -28.415 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.286 5.941 -26.156 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.555 6.190 -26.273 1.00 0.00 H new ATOM 170 N LEU A 14 -8.788 9.218 -27.493 1.00 0.00 N ATOM 171 CA LEU A 14 -7.804 9.831 -26.608 1.00 0.00 C ATOM 172 C LEU A 14 -8.462 10.333 -25.326 1.00 0.00 C ATOM 173 O LEU A 14 -9.672 10.552 -25.283 1.00 0.00 O ATOM 174 CB LEU A 14 -7.099 10.988 -27.320 1.00 0.00 C ATOM 175 CG LEU A 14 -6.824 10.790 -28.811 1.00 0.00 C ATOM 176 CD1 LEU A 14 -6.621 12.131 -29.498 1.00 0.00 C ATOM 177 CD2 LEU A 14 -5.610 9.895 -29.014 1.00 0.00 C ATOM 0 H LEU A 14 -9.583 9.816 -27.718 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.067 9.072 -26.343 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.705 11.886 -27.199 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.150 11.173 -26.817 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.689 10.302 -29.260 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.426 11.971 -30.558 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.518 12.739 -29.381 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.773 12.646 -29.047 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.428 9.765 -30.081 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.737 10.355 -28.551 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.794 8.923 -28.556 1.00 0.00 H new ATOM 189 N SER A 15 -7.656 10.514 -24.285 1.00 0.00 N ATOM 190 CA SER A 15 -8.160 10.989 -23.002 1.00 0.00 C ATOM 191 C SER A 15 -7.268 12.093 -22.443 1.00 0.00 C ATOM 192 O SER A 15 -6.052 11.932 -22.337 1.00 0.00 O ATOM 193 CB SER A 15 -8.244 9.832 -22.004 1.00 0.00 C ATOM 194 OG SER A 15 -7.231 8.873 -22.248 1.00 0.00 O ATOM 0 H SER A 15 -6.651 10.339 -24.305 1.00 0.00 H new ATOM 0 HA SER A 15 -9.158 11.397 -23.160 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.148 10.216 -20.988 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.223 9.357 -22.074 1.00 0.00 H new ATOM 0 HG SER A 15 -7.306 8.145 -21.596 1.00 0.00 H new ATOM 200 N CYS A 16 -7.882 13.217 -22.086 1.00 0.00 N ATOM 201 CA CYS A 16 -7.146 14.350 -21.538 1.00 0.00 C ATOM 202 C CYS A 16 -7.269 14.394 -20.018 1.00 0.00 C ATOM 203 O CYS A 16 -8.203 14.986 -19.476 1.00 0.00 O ATOM 204 CB CYS A 16 -7.660 15.658 -22.141 1.00 0.00 C ATOM 205 SG CYS A 16 -7.373 17.122 -21.096 1.00 0.00 S ATOM 0 H CYS A 16 -8.888 13.367 -22.167 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.094 14.228 -21.796 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.179 15.814 -23.107 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.729 15.563 -22.329 1.00 0.00 H new ATOM 210 N LYS A 17 -6.320 13.764 -19.334 1.00 0.00 N ATOM 211 CA LYS A 17 -6.319 13.732 -17.877 1.00 0.00 C ATOM 212 C LYS A 17 -5.724 15.015 -17.304 1.00 0.00 C ATOM 213 O LYS A 17 -4.504 15.162 -17.226 1.00 0.00 O ATOM 214 CB LYS A 17 -5.529 12.522 -17.373 1.00 0.00 C ATOM 215 CG LYS A 17 -6.042 11.196 -17.907 1.00 0.00 C ATOM 216 CD LYS A 17 -7.394 10.840 -17.311 1.00 0.00 C ATOM 217 CE LYS A 17 -8.301 10.181 -18.339 1.00 0.00 C ATOM 218 NZ LYS A 17 -9.211 11.165 -18.988 1.00 0.00 N ATOM 0 H LYS A 17 -5.541 13.268 -19.767 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.352 13.650 -17.540 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.483 12.638 -17.656 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.564 12.504 -16.284 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.124 11.247 -18.993 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.324 10.408 -17.679 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.254 10.168 -16.464 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.872 11.741 -16.927 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.692 9.692 -19.100 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.892 9.403 -17.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.001 10.662 -19.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.583 11.820 -18.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.686 11.702 -19.707 1.00 0.00 H new ATOM 232 N TRP A 18 -6.592 15.937 -16.905 1.00 0.00 N ATOM 233 CA TRP A 18 -6.151 17.207 -16.339 1.00 0.00 C ATOM 234 C TRP A 18 -6.397 17.246 -14.835 1.00 0.00 C ATOM 235 O TRP A 18 -7.538 17.150 -14.381 1.00 0.00 O ATOM 236 CB TRP A 18 -6.875 18.371 -17.017 1.00 0.00 C ATOM 237 CG TRP A 18 -6.186 19.689 -16.831 1.00 0.00 C ATOM 238 CD1 TRP A 18 -6.249 20.498 -15.732 1.00 0.00 C ATOM 239 CD2 TRP A 18 -5.332 20.350 -17.771 1.00 0.00 C ATOM 240 NE1 TRP A 18 -5.485 21.623 -15.933 1.00 0.00 N ATOM 241 CE2 TRP A 18 -4.912 21.556 -17.175 1.00 0.00 C ATOM 242 CE3 TRP A 18 -4.880 20.041 -19.056 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -4.064 22.449 -17.823 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -4.039 20.929 -19.698 1.00 0.00 C ATOM 245 CH2 TRP A 18 -3.637 22.121 -19.081 1.00 0.00 C ATOM 0 H TRP A 18 -7.605 15.830 -16.963 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.080 17.303 -16.516 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -6.963 18.163 -18.083 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.888 18.440 -16.621 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.815 20.285 -14.837 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.364 22.384 -15.265 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.183 19.124 -19.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.754 23.369 -17.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.685 20.701 -20.693 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.977 22.794 -19.609 1.00 0.00 H new ATOM 256 N ILE A 19 -5.322 17.388 -14.067 1.00 0.00 N ATOM 257 CA ILE A 19 -5.423 17.442 -12.614 1.00 0.00 C ATOM 258 C ILE A 19 -4.861 18.751 -12.071 1.00 0.00 C ATOM 259 O ILE A 19 -3.647 18.910 -11.940 1.00 0.00 O ATOM 260 CB ILE A 19 -4.680 16.265 -11.954 1.00 0.00 C ATOM 261 CG1 ILE A 19 -5.177 14.935 -12.526 1.00 0.00 C ATOM 262 CG2 ILE A 19 -4.866 16.301 -10.444 1.00 0.00 C ATOM 263 CD1 ILE A 19 -5.017 13.771 -11.574 1.00 0.00 C ATOM 0 H ILE A 19 -4.371 17.468 -14.427 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.483 17.376 -12.369 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.616 16.358 -12.172 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.229 15.034 -12.793 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.634 14.719 -13.446 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.335 15.463 -9.992 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.469 17.237 -10.051 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.927 16.229 -10.206 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.390 12.862 -12.045 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.963 13.646 -11.326 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.583 13.966 -10.663 1.00 0.00 H new ATOM 275 N ASP A 20 -5.751 19.686 -11.756 1.00 0.00 N ATOM 276 CA ASP A 20 -5.344 20.981 -11.225 1.00 0.00 C ATOM 277 C ASP A 20 -4.826 20.845 -9.797 1.00 0.00 C ATOM 278 O ASP A 20 -5.486 20.255 -8.942 1.00 0.00 O ATOM 279 CB ASP A 20 -6.516 21.963 -11.264 1.00 0.00 C ATOM 280 CG ASP A 20 -6.570 22.749 -12.560 1.00 0.00 C ATOM 281 OD1 ASP A 20 -5.495 23.036 -13.125 1.00 0.00 O ATOM 282 OD2 ASP A 20 -7.689 23.075 -13.009 1.00 0.00 O ATOM 0 H ASP A 20 -6.759 19.571 -11.859 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.537 21.365 -11.850 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.450 21.415 -11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.434 22.655 -10.426 1.00 0.00 H new ATOM 287 N GLU A 21 -3.641 21.393 -9.547 1.00 0.00 N ATOM 288 CA GLU A 21 -3.035 21.329 -8.222 1.00 0.00 C ATOM 289 C GLU A 21 -3.802 22.199 -7.230 1.00 0.00 C ATOM 290 O GLU A 21 -3.843 21.908 -6.036 1.00 0.00 O ATOM 291 CB GLU A 21 -1.572 21.776 -8.284 1.00 0.00 C ATOM 292 CG GLU A 21 -0.817 21.220 -9.480 1.00 0.00 C ATOM 293 CD GLU A 21 0.657 21.009 -9.191 1.00 0.00 C ATOM 294 OE1 GLU A 21 1.080 21.272 -8.046 1.00 0.00 O ATOM 295 OE2 GLU A 21 1.387 20.581 -10.109 1.00 0.00 O ATOM 0 H GLU A 21 -3.082 21.886 -10.244 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.078 20.295 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.534 22.865 -8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.067 21.466 -7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.264 20.272 -9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.924 21.903 -10.323 1.00 0.00 H new ATOM 302 N ALA A 22 -4.408 23.268 -7.736 1.00 0.00 N ATOM 303 CA ALA A 22 -5.175 24.180 -6.896 1.00 0.00 C ATOM 304 C ALA A 22 -6.673 23.986 -7.101 1.00 0.00 C ATOM 305 O ALA A 22 -7.448 24.938 -7.018 1.00 0.00 O ATOM 306 CB ALA A 22 -4.783 25.621 -7.186 1.00 0.00 C ATOM 0 H ALA A 22 -4.383 23.524 -8.723 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.945 23.955 -5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.364 26.291 -6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.721 25.757 -6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.983 25.849 -8.233 1.00 0.00 H new ATOM 312 N GLN A 23 -7.074 22.747 -7.369 1.00 0.00 N ATOM 313 CA GLN A 23 -8.480 22.429 -7.587 1.00 0.00 C ATOM 314 C GLN A 23 -9.235 22.365 -6.264 1.00 0.00 C ATOM 315 O GLN A 23 -8.879 21.597 -5.370 1.00 0.00 O ATOM 316 CB GLN A 23 -8.615 21.099 -8.330 1.00 0.00 C ATOM 317 CG GLN A 23 -8.144 19.901 -7.522 1.00 0.00 C ATOM 318 CD GLN A 23 -8.179 18.611 -8.317 1.00 0.00 C ATOM 319 OE1 GLN A 23 -9.245 18.039 -8.549 1.00 0.00 O ATOM 320 NE2 GLN A 23 -7.010 18.144 -8.740 1.00 0.00 N ATOM 0 H GLN A 23 -6.445 21.947 -7.440 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.916 23.222 -8.195 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.659 20.952 -8.608 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.043 21.150 -9.256 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.127 20.080 -7.172 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.771 19.795 -6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.151 18.650 -8.525 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.971 17.279 -9.280 1.00 0.00 H new ATOM 329 N LEU A 24 -10.280 23.178 -6.145 1.00 0.00 N ATOM 330 CA LEU A 24 -11.086 23.214 -4.929 1.00 0.00 C ATOM 331 C LEU A 24 -11.998 21.994 -4.845 1.00 0.00 C ATOM 332 O LEU A 24 -12.803 21.871 -3.921 1.00 0.00 O ATOM 333 CB LEU A 24 -11.922 24.494 -4.887 1.00 0.00 C ATOM 334 CG LEU A 24 -12.246 25.038 -3.495 1.00 0.00 C ATOM 335 CD1 LEU A 24 -12.545 26.528 -3.560 1.00 0.00 C ATOM 336 CD2 LEU A 24 -13.419 24.283 -2.886 1.00 0.00 C ATOM 0 H LEU A 24 -10.589 23.820 -6.875 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.411 23.200 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.394 25.268 -5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.860 24.309 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.375 24.891 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.773 26.897 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.676 27.057 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.400 26.699 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.635 24.684 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -14.296 24.398 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.167 23.226 -2.802 1.00 0.00 H new ATOM 348 N SER A 25 -11.865 21.094 -5.813 1.00 0.00 N ATOM 349 CA SER A 25 -12.678 19.884 -5.849 1.00 0.00 C ATOM 350 C SER A 25 -11.841 18.656 -5.503 1.00 0.00 C ATOM 351 O SER A 25 -10.763 18.449 -6.060 1.00 0.00 O ATOM 352 CB SER A 25 -13.311 19.710 -7.231 1.00 0.00 C ATOM 353 OG SER A 25 -13.613 20.965 -7.815 1.00 0.00 O ATOM 0 H SER A 25 -11.202 21.180 -6.583 1.00 0.00 H new ATOM 0 HA SER A 25 -13.468 19.985 -5.105 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.630 19.158 -7.879 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.221 19.117 -7.145 1.00 0.00 H new ATOM 0 HG SER A 25 -14.015 20.827 -8.698 1.00 0.00 H new ATOM 359 N ARG A 26 -12.346 17.845 -4.579 1.00 0.00 N ATOM 360 CA ARG A 26 -11.645 16.639 -4.156 1.00 0.00 C ATOM 361 C ARG A 26 -12.598 15.448 -4.099 1.00 0.00 C ATOM 362 O ARG A 26 -13.811 15.599 -3.950 1.00 0.00 O ATOM 363 CB ARG A 26 -10.997 16.853 -2.787 1.00 0.00 C ATOM 364 CG ARG A 26 -9.717 17.671 -2.841 1.00 0.00 C ATOM 365 CD ARG A 26 -8.494 16.783 -3.004 1.00 0.00 C ATOM 366 NE ARG A 26 -8.479 15.689 -2.037 1.00 0.00 N ATOM 367 CZ ARG A 26 -8.285 15.862 -0.734 1.00 0.00 C ATOM 368 NH1 ARG A 26 -8.091 17.080 -0.246 1.00 0.00 N ATOM 369 NH2 ARG A 26 -8.285 14.817 0.083 1.00 0.00 N ATOM 0 H ARG A 26 -13.238 18.001 -4.109 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.867 16.426 -4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.710 17.352 -2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.779 15.882 -2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.769 18.376 -3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.621 18.260 -1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.475 16.374 -4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.592 17.383 -2.886 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.625 14.740 -2.381 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.091 17.886 -0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.942 17.211 0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.434 13.879 -0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.136 14.951 1.083 1.00 0.00 H new ATOM 383 N PRO A 27 -12.038 14.235 -4.221 1.00 0.00 N ATOM 384 CA PRO A 27 -10.596 14.044 -4.400 1.00 0.00 C ATOM 385 C PRO A 27 -10.114 14.511 -5.769 1.00 0.00 C ATOM 386 O PRO A 27 -10.884 14.555 -6.728 1.00 0.00 O ATOM 387 CB PRO A 27 -10.419 12.529 -4.259 1.00 0.00 C ATOM 388 CG PRO A 27 -11.741 11.957 -4.641 1.00 0.00 C ATOM 389 CD PRO A 27 -12.770 12.958 -4.194 1.00 0.00 C ATOM 0 HA PRO A 27 -10.016 14.624 -3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.625 12.161 -4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.149 12.255 -3.239 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.799 11.792 -5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.902 10.991 -4.161 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.631 12.974 -4.862 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.145 12.731 -3.196 1.00 0.00 H new ATOM 397 N LYS A 28 -8.835 14.860 -5.853 1.00 0.00 N ATOM 398 CA LYS A 28 -8.248 15.324 -7.105 1.00 0.00 C ATOM 399 C LYS A 28 -8.601 14.382 -8.252 1.00 0.00 C ATOM 400 O LYS A 28 -8.117 13.252 -8.313 1.00 0.00 O ATOM 401 CB LYS A 28 -6.728 15.433 -6.970 1.00 0.00 C ATOM 402 CG LYS A 28 -6.280 16.474 -5.958 1.00 0.00 C ATOM 403 CD LYS A 28 -4.997 17.160 -6.395 1.00 0.00 C ATOM 404 CE LYS A 28 -4.173 17.613 -5.200 1.00 0.00 C ATOM 405 NZ LYS A 28 -3.806 16.473 -4.316 1.00 0.00 N ATOM 0 H LYS A 28 -8.184 14.830 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.658 16.309 -7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.327 14.462 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.302 15.677 -7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.066 17.218 -5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.128 15.999 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.408 16.477 -7.007 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.238 18.020 -7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.267 18.108 -5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.737 18.349 -4.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.785 16.499 -4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.331 16.545 -3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.046 15.577 -4.787 1.00 0.00 H new ATOM 419 N LYS A 29 -9.447 14.856 -9.161 1.00 0.00 N ATOM 420 CA LYS A 29 -9.863 14.058 -10.308 1.00 0.00 C ATOM 421 C LYS A 29 -9.172 14.535 -11.582 1.00 0.00 C ATOM 422 O LYS A 29 -8.466 15.543 -11.576 1.00 0.00 O ATOM 423 CB LYS A 29 -11.382 14.130 -10.482 1.00 0.00 C ATOM 424 CG LYS A 29 -11.985 15.445 -10.020 1.00 0.00 C ATOM 425 CD LYS A 29 -13.448 15.558 -10.417 1.00 0.00 C ATOM 426 CE LYS A 29 -14.362 14.996 -9.339 1.00 0.00 C ATOM 427 NZ LYS A 29 -14.595 13.535 -9.515 1.00 0.00 N ATOM 0 H LYS A 29 -9.858 15.789 -9.125 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.573 13.024 -10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.627 13.977 -11.533 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.842 13.313 -9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.894 15.528 -8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.425 16.275 -10.451 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.697 16.603 -10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.615 15.024 -11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.922 15.178 -8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.317 15.521 -9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.614 13.337 -9.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.235 13.235 -10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.098 13.012 -8.766 1.00 0.00 H new ATOM 441 N SER A 30 -9.383 13.805 -12.673 1.00 0.00 N ATOM 442 CA SER A 30 -8.778 14.153 -13.953 1.00 0.00 C ATOM 443 C SER A 30 -9.850 14.458 -14.995 1.00 0.00 C ATOM 444 O SER A 30 -10.846 13.742 -15.107 1.00 0.00 O ATOM 445 CB SER A 30 -7.883 13.015 -14.445 1.00 0.00 C ATOM 446 OG SER A 30 -7.291 12.325 -13.357 1.00 0.00 O ATOM 0 H SER A 30 -9.968 12.970 -12.696 1.00 0.00 H new ATOM 0 HA SER A 30 -8.171 15.046 -13.808 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.470 12.319 -15.045 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.104 13.415 -15.093 1.00 0.00 H new ATOM 0 HG SER A 30 -6.592 11.725 -13.691 1.00 0.00 H new ATOM 452 N CYS A 31 -9.639 15.526 -15.757 1.00 0.00 N ATOM 453 CA CYS A 31 -10.586 15.928 -16.790 1.00 0.00 C ATOM 454 C CYS A 31 -11.039 14.724 -17.612 1.00 0.00 C ATOM 455 O CYS A 31 -10.221 14.024 -18.207 1.00 0.00 O ATOM 456 CB CYS A 31 -9.956 16.978 -17.708 1.00 0.00 C ATOM 457 SG CYS A 31 -10.855 17.234 -19.271 1.00 0.00 S ATOM 0 H CYS A 31 -8.820 16.129 -15.678 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.458 16.360 -16.300 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.901 17.926 -17.173 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.932 16.680 -17.935 1.00 0.00 H new ATOM 462 N ASP A 32 -12.346 14.491 -17.638 1.00 0.00 N ATOM 463 CA ASP A 32 -12.909 13.374 -18.387 1.00 0.00 C ATOM 464 C ASP A 32 -13.409 13.832 -19.754 1.00 0.00 C ATOM 465 O ASP A 32 -14.208 14.763 -19.853 1.00 0.00 O ATOM 466 CB ASP A 32 -14.052 12.730 -17.602 1.00 0.00 C ATOM 467 CG ASP A 32 -15.036 13.752 -17.068 1.00 0.00 C ATOM 468 OD1 ASP A 32 -14.591 14.721 -16.418 1.00 0.00 O ATOM 469 OD2 ASP A 32 -16.251 13.584 -17.302 1.00 0.00 O ATOM 0 H ASP A 32 -13.036 15.061 -17.149 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.121 12.636 -18.537 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.578 12.025 -18.245 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.641 12.157 -16.771 1.00 0.00 H new ATOM 474 N ARG A 33 -12.931 13.173 -20.804 1.00 0.00 N ATOM 475 CA ARG A 33 -13.327 13.514 -22.165 1.00 0.00 C ATOM 476 C ARG A 33 -12.678 12.571 -23.173 1.00 0.00 C ATOM 477 O ARG A 33 -11.694 11.898 -22.866 1.00 0.00 O ATOM 478 CB ARG A 33 -12.943 14.960 -22.483 1.00 0.00 C ATOM 479 CG ARG A 33 -13.558 15.485 -23.771 1.00 0.00 C ATOM 480 CD ARG A 33 -13.700 16.998 -23.745 1.00 0.00 C ATOM 481 NE ARG A 33 -14.387 17.504 -24.930 1.00 0.00 N ATOM 482 CZ ARG A 33 -15.688 17.349 -25.148 1.00 0.00 C ATOM 483 NH1 ARG A 33 -16.439 16.707 -24.265 1.00 0.00 N ATOM 484 NH2 ARG A 33 -16.240 17.839 -26.251 1.00 0.00 N ATOM 0 H ARG A 33 -12.269 12.400 -20.738 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.409 13.408 -22.239 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.252 15.599 -21.656 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.858 15.032 -22.553 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.937 15.191 -24.618 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.537 15.029 -23.920 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.251 17.295 -22.852 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.712 17.454 -23.677 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.838 18.004 -25.629 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.018 16.331 -23.416 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.438 16.589 -24.435 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.665 18.335 -26.932 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.239 17.720 -26.418 1.00 0.00 H new ATOM 498 N THR A 34 -13.237 12.526 -24.379 1.00 0.00 N ATOM 499 CA THR A 34 -12.714 11.664 -25.432 1.00 0.00 C ATOM 500 C THR A 34 -12.683 12.390 -26.772 1.00 0.00 C ATOM 501 O THR A 34 -13.388 13.380 -26.970 1.00 0.00 O ATOM 502 CB THR A 34 -13.554 10.381 -25.576 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.917 10.716 -25.859 1.00 0.00 O ATOM 504 CG2 THR A 34 -13.485 9.544 -24.307 1.00 0.00 C ATOM 0 H THR A 34 -14.052 13.076 -24.650 1.00 0.00 H new ATOM 0 HA THR A 34 -11.698 11.394 -25.144 1.00 0.00 H new ATOM 0 HB THR A 34 -13.146 9.797 -26.401 1.00 0.00 H new ATOM 0 HG1 THR A 34 -15.444 9.895 -25.951 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.086 8.643 -24.432 1.00 0.00 H new ATOM 0 HG22 THR A 34 -12.450 9.265 -24.111 1.00 0.00 H new ATOM 0 HG23 THR A 34 -13.870 10.123 -23.468 1.00 0.00 H new ATOM 512 N PHE A 35 -11.862 11.892 -27.691 1.00 0.00 N ATOM 513 CA PHE A 35 -11.739 12.494 -29.013 1.00 0.00 C ATOM 514 C PHE A 35 -11.540 11.424 -30.082 1.00 0.00 C ATOM 515 O PHE A 35 -10.927 10.387 -29.830 1.00 0.00 O ATOM 516 CB PHE A 35 -10.571 13.482 -29.041 1.00 0.00 C ATOM 517 CG PHE A 35 -10.562 14.433 -27.878 1.00 0.00 C ATOM 518 CD1 PHE A 35 -10.211 13.995 -26.611 1.00 0.00 C ATOM 519 CD2 PHE A 35 -10.906 15.764 -28.052 1.00 0.00 C ATOM 520 CE1 PHE A 35 -10.202 14.868 -25.539 1.00 0.00 C ATOM 521 CE2 PHE A 35 -10.898 16.641 -26.984 1.00 0.00 C ATOM 522 CZ PHE A 35 -10.546 16.192 -25.725 1.00 0.00 C ATOM 0 H PHE A 35 -11.272 11.073 -27.544 1.00 0.00 H new ATOM 0 HA PHE A 35 -12.664 13.029 -29.228 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.634 12.925 -29.052 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -10.612 14.054 -29.968 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -9.941 12.960 -26.459 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.183 16.120 -29.033 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.926 14.514 -24.557 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -11.167 17.676 -27.133 1.00 0.00 H new ATOM 0 HZ PHE A 35 -10.540 16.875 -24.889 1.00 0.00 H new ATOM 532 N SER A 36 -12.064 11.683 -31.276 1.00 0.00 N ATOM 533 CA SER A 36 -11.949 10.740 -32.382 1.00 0.00 C ATOM 534 C SER A 36 -10.604 10.891 -33.086 1.00 0.00 C ATOM 535 O SER A 36 -10.126 9.967 -33.745 1.00 0.00 O ATOM 536 CB SER A 36 -13.087 10.953 -33.382 1.00 0.00 C ATOM 537 OG SER A 36 -14.342 10.645 -32.799 1.00 0.00 O ATOM 0 H SER A 36 -12.572 12.538 -31.502 1.00 0.00 H new ATOM 0 HA SER A 36 -12.016 9.731 -31.975 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.086 11.988 -33.724 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.926 10.327 -34.259 1.00 0.00 H new ATOM 0 HG SER A 36 -15.053 10.791 -33.457 1.00 0.00 H new ATOM 543 N THR A 37 -9.996 12.065 -32.942 1.00 0.00 N ATOM 544 CA THR A 37 -8.707 12.340 -33.564 1.00 0.00 C ATOM 545 C THR A 37 -7.795 13.115 -32.620 1.00 0.00 C ATOM 546 O THR A 37 -8.223 13.562 -31.557 1.00 0.00 O ATOM 547 CB THR A 37 -8.873 13.139 -34.871 1.00 0.00 C ATOM 548 OG1 THR A 37 -10.028 13.981 -34.787 1.00 0.00 O ATOM 549 CG2 THR A 37 -9.005 12.204 -36.064 1.00 0.00 C ATOM 0 H THR A 37 -10.376 12.841 -32.400 1.00 0.00 H new ATOM 0 HA THR A 37 -8.254 11.375 -33.792 1.00 0.00 H new ATOM 0 HB THR A 37 -7.985 13.755 -35.010 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.126 14.487 -35.621 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.121 12.791 -36.975 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.111 11.585 -36.142 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.878 11.565 -35.930 1.00 0.00 H new ATOM 557 N MET A 38 -6.536 13.271 -33.017 1.00 0.00 N ATOM 558 CA MET A 38 -5.564 13.995 -32.206 1.00 0.00 C ATOM 559 C MET A 38 -5.883 15.487 -32.177 1.00 0.00 C ATOM 560 O MET A 38 -6.046 16.076 -31.108 1.00 0.00 O ATOM 561 CB MET A 38 -4.151 13.774 -32.747 1.00 0.00 C ATOM 562 CG MET A 38 -3.063 14.371 -31.868 1.00 0.00 C ATOM 563 SD MET A 38 -3.117 13.748 -30.177 1.00 0.00 S ATOM 564 CE MET A 38 -3.494 12.021 -30.464 1.00 0.00 C ATOM 0 H MET A 38 -6.165 12.906 -33.894 1.00 0.00 H new ATOM 0 HA MET A 38 -5.619 13.610 -31.188 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.975 12.704 -32.853 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.080 14.209 -33.744 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.088 14.149 -32.302 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.166 15.456 -31.855 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.473 11.482 -29.517 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.485 11.934 -30.909 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.754 11.595 -31.141 1.00 0.00 H new ATOM 574 N HIS A 39 -5.971 16.091 -33.358 1.00 0.00 N ATOM 575 CA HIS A 39 -6.270 17.514 -33.467 1.00 0.00 C ATOM 576 C HIS A 39 -7.446 17.893 -32.571 1.00 0.00 C ATOM 577 O HIS A 39 -7.464 18.971 -31.979 1.00 0.00 O ATOM 578 CB HIS A 39 -6.582 17.881 -34.919 1.00 0.00 C ATOM 579 CG HIS A 39 -6.338 19.324 -35.237 1.00 0.00 C ATOM 580 ND1 HIS A 39 -6.612 19.880 -36.469 1.00 0.00 N ATOM 581 CD2 HIS A 39 -5.844 20.328 -34.475 1.00 0.00 C ATOM 582 CE1 HIS A 39 -6.295 21.162 -36.452 1.00 0.00 C ATOM 583 NE2 HIS A 39 -5.827 21.459 -35.253 1.00 0.00 N ATOM 0 H HIS A 39 -5.840 15.618 -34.252 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.392 18.071 -33.139 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.974 17.264 -35.580 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.624 17.642 -35.130 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.523 20.253 -33.447 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.400 21.850 -37.278 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.505 22.379 -34.954 1.00 0.00 H new ATOM 591 N GLU A 40 -8.425 16.998 -32.479 1.00 0.00 N ATOM 592 CA GLU A 40 -9.604 17.240 -31.656 1.00 0.00 C ATOM 593 C GLU A 40 -9.229 17.333 -30.180 1.00 0.00 C ATOM 594 O GLU A 40 -9.823 18.102 -29.423 1.00 0.00 O ATOM 595 CB GLU A 40 -10.635 16.128 -31.863 1.00 0.00 C ATOM 596 CG GLU A 40 -11.329 16.184 -33.213 1.00 0.00 C ATOM 597 CD GLU A 40 -12.447 17.207 -33.253 1.00 0.00 C ATOM 598 OE1 GLU A 40 -12.857 17.679 -32.171 1.00 0.00 O ATOM 599 OE2 GLU A 40 -12.913 17.536 -34.364 1.00 0.00 O ATOM 0 H GLU A 40 -8.425 16.100 -32.963 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.039 18.191 -31.962 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.141 15.162 -31.758 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.386 16.189 -31.075 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.596 16.422 -33.984 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.733 15.200 -33.450 1.00 0.00 H new ATOM 606 N LEU A 41 -8.239 16.543 -29.777 1.00 0.00 N ATOM 607 CA LEU A 41 -7.783 16.534 -28.391 1.00 0.00 C ATOM 608 C LEU A 41 -6.895 17.740 -28.103 1.00 0.00 C ATOM 609 O LEU A 41 -7.116 18.470 -27.137 1.00 0.00 O ATOM 610 CB LEU A 41 -7.022 15.242 -28.093 1.00 0.00 C ATOM 611 CG LEU A 41 -6.042 15.296 -26.920 1.00 0.00 C ATOM 612 CD1 LEU A 41 -6.783 15.546 -25.616 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.235 14.008 -26.839 1.00 0.00 C ATOM 0 H LEU A 41 -7.737 15.901 -30.390 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.659 16.589 -27.745 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.748 14.453 -27.898 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.471 14.954 -28.988 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.352 16.123 -27.086 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.069 15.581 -24.793 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.315 16.496 -25.676 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.497 14.741 -25.443 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.543 14.064 -25.999 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.910 13.164 -26.697 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.673 13.872 -27.763 1.00 0.00 H new ATOM 625 N VAL A 42 -5.890 17.944 -28.949 1.00 0.00 N ATOM 626 CA VAL A 42 -4.969 19.063 -28.787 1.00 0.00 C ATOM 627 C VAL A 42 -5.725 20.379 -28.642 1.00 0.00 C ATOM 628 O VAL A 42 -5.544 21.108 -27.665 1.00 0.00 O ATOM 629 CB VAL A 42 -4.000 19.169 -29.979 1.00 0.00 C ATOM 630 CG1 VAL A 42 -3.026 20.320 -29.774 1.00 0.00 C ATOM 631 CG2 VAL A 42 -3.255 17.858 -30.177 1.00 0.00 C ATOM 0 H VAL A 42 -5.693 17.349 -29.754 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.397 18.874 -27.879 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.579 19.371 -30.880 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.349 20.380 -30.626 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.580 21.254 -29.685 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.450 20.152 -28.864 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.575 17.950 -31.023 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.686 17.624 -29.278 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.970 17.059 -30.372 1.00 0.00 H new ATOM 641 N THR A 43 -6.574 20.679 -29.620 1.00 0.00 N ATOM 642 CA THR A 43 -7.357 21.908 -29.602 1.00 0.00 C ATOM 643 C THR A 43 -8.007 22.126 -28.240 1.00 0.00 C ATOM 644 O THR A 43 -8.211 23.263 -27.814 1.00 0.00 O ATOM 645 CB THR A 43 -8.453 21.892 -30.684 1.00 0.00 C ATOM 646 OG1 THR A 43 -7.873 21.617 -31.965 1.00 0.00 O ATOM 647 CG2 THR A 43 -9.189 23.222 -30.730 1.00 0.00 C ATOM 0 H THR A 43 -6.737 20.087 -30.435 1.00 0.00 H new ATOM 0 HA THR A 43 -6.666 22.726 -29.807 1.00 0.00 H new ATOM 0 HB THR A 43 -9.168 21.108 -30.433 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.898 20.652 -32.135 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.958 23.186 -31.502 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.654 23.414 -29.763 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.483 24.021 -30.958 1.00 0.00 H new ATOM 655 N HIS A 44 -8.329 21.030 -27.561 1.00 0.00 N ATOM 656 CA HIS A 44 -8.955 21.103 -26.246 1.00 0.00 C ATOM 657 C HIS A 44 -7.914 21.372 -25.163 1.00 0.00 C ATOM 658 O HIS A 44 -7.956 22.401 -24.490 1.00 0.00 O ATOM 659 CB HIS A 44 -9.701 19.803 -25.941 1.00 0.00 C ATOM 660 CG HIS A 44 -10.066 19.647 -24.496 1.00 0.00 C ATOM 661 ND1 HIS A 44 -11.262 20.088 -23.970 1.00 0.00 N ATOM 662 CD2 HIS A 44 -9.385 19.093 -23.466 1.00 0.00 C ATOM 663 CE1 HIS A 44 -11.300 19.813 -22.679 1.00 0.00 C ATOM 664 NE2 HIS A 44 -10.173 19.209 -22.348 1.00 0.00 N ATOM 0 H HIS A 44 -8.167 20.081 -27.899 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.667 21.929 -26.254 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.609 19.765 -26.543 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.082 18.959 -26.244 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -12.002 20.554 -24.496 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.404 18.643 -23.515 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.114 20.043 -22.008 1.00 0.00 H new ATOM 672 N VAL A 45 -6.982 20.439 -25.001 1.00 0.00 N ATOM 673 CA VAL A 45 -5.930 20.575 -24.000 1.00 0.00 C ATOM 674 C VAL A 45 -5.181 21.893 -24.166 1.00 0.00 C ATOM 675 O VAL A 45 -4.552 22.385 -23.229 1.00 0.00 O ATOM 676 CB VAL A 45 -4.924 19.412 -24.081 1.00 0.00 C ATOM 677 CG1 VAL A 45 -4.003 19.416 -22.870 1.00 0.00 C ATOM 678 CG2 VAL A 45 -5.655 18.083 -24.200 1.00 0.00 C ATOM 0 H VAL A 45 -6.934 19.581 -25.550 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.417 20.557 -23.025 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.312 19.546 -24.973 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.299 18.587 -22.945 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.453 20.357 -22.834 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.596 19.307 -21.962 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.929 17.272 -24.256 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.293 17.939 -23.328 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.268 18.084 -25.101 1.00 0.00 H new ATOM 688 N THR A 46 -5.254 22.461 -25.365 1.00 0.00 N ATOM 689 CA THR A 46 -4.582 23.722 -25.655 1.00 0.00 C ATOM 690 C THR A 46 -5.515 24.906 -25.429 1.00 0.00 C ATOM 691 O THR A 46 -5.208 25.811 -24.653 1.00 0.00 O ATOM 692 CB THR A 46 -4.064 23.762 -27.105 1.00 0.00 C ATOM 693 OG1 THR A 46 -3.287 22.591 -27.379 1.00 0.00 O ATOM 694 CG2 THR A 46 -3.219 25.004 -27.344 1.00 0.00 C ATOM 0 H THR A 46 -5.772 22.068 -26.151 1.00 0.00 H new ATOM 0 HA THR A 46 -3.735 23.793 -24.972 1.00 0.00 H new ATOM 0 HB THR A 46 -4.924 23.793 -27.774 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.885 21.834 -27.550 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.864 25.010 -28.375 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.821 25.894 -27.162 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.365 24.999 -26.667 1.00 0.00 H new ATOM 702 N MET A 47 -6.656 24.894 -26.111 1.00 0.00 N ATOM 703 CA MET A 47 -7.635 25.967 -25.981 1.00 0.00 C ATOM 704 C MET A 47 -8.596 25.690 -24.830 1.00 0.00 C ATOM 705 O MET A 47 -8.824 26.550 -23.980 1.00 0.00 O ATOM 706 CB MET A 47 -8.417 26.133 -27.286 1.00 0.00 C ATOM 707 CG MET A 47 -7.546 26.063 -28.529 1.00 0.00 C ATOM 708 SD MET A 47 -8.421 26.576 -30.020 1.00 0.00 S ATOM 709 CE MET A 47 -7.223 27.689 -30.750 1.00 0.00 C ATOM 0 H MET A 47 -6.925 24.154 -26.759 1.00 0.00 H new ATOM 0 HA MET A 47 -7.098 26.891 -25.767 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.181 25.358 -27.343 1.00 0.00 H new ATOM 0 HB3 MET A 47 -8.936 27.091 -27.270 1.00 0.00 H new ATOM 0 HG2 MET A 47 -6.670 26.697 -28.390 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.184 25.043 -28.658 1.00 0.00 H new ATOM 0 HE1 MET A 47 -7.620 28.090 -31.683 1.00 0.00 H new ATOM 0 HE2 MET A 47 -7.020 28.508 -30.060 1.00 0.00 H new ATOM 0 HE3 MET A 47 -6.299 27.147 -30.952 1.00 0.00 H new ATOM 719 N GLU A 48 -9.157 24.485 -24.810 1.00 0.00 N ATOM 720 CA GLU A 48 -10.095 24.097 -23.763 1.00 0.00 C ATOM 721 C GLU A 48 -9.376 23.912 -22.430 1.00 0.00 C ATOM 722 O GLU A 48 -9.982 23.515 -21.434 1.00 0.00 O ATOM 723 CB GLU A 48 -10.818 22.805 -24.149 1.00 0.00 C ATOM 724 CG GLU A 48 -11.661 22.932 -25.406 1.00 0.00 C ATOM 725 CD GLU A 48 -13.049 23.476 -25.126 1.00 0.00 C ATOM 726 OE1 GLU A 48 -13.470 23.451 -23.951 1.00 0.00 O ATOM 727 OE2 GLU A 48 -13.713 23.927 -26.083 1.00 0.00 O ATOM 0 H GLU A 48 -8.978 23.761 -25.506 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.828 24.896 -23.653 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.081 22.015 -24.294 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.458 22.496 -23.322 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.154 23.588 -26.114 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.747 21.955 -25.881 1.00 0.00 H new ATOM 734 N HIS A 49 -8.078 24.201 -22.419 1.00 0.00 N ATOM 735 CA HIS A 49 -7.275 24.066 -21.208 1.00 0.00 C ATOM 736 C HIS A 49 -6.243 25.186 -21.114 1.00 0.00 C ATOM 737 O HIS A 49 -6.385 26.109 -20.311 1.00 0.00 O ATOM 738 CB HIS A 49 -6.575 22.708 -21.184 1.00 0.00 C ATOM 739 CG HIS A 49 -7.312 21.667 -20.399 1.00 0.00 C ATOM 740 ND1 HIS A 49 -7.456 21.720 -19.029 1.00 0.00 N ATOM 741 CD2 HIS A 49 -7.951 20.543 -20.800 1.00 0.00 C ATOM 742 CE1 HIS A 49 -8.149 20.672 -18.620 1.00 0.00 C ATOM 743 NE2 HIS A 49 -8.462 19.942 -19.676 1.00 0.00 N ATOM 0 H HIS A 49 -7.560 24.530 -23.234 1.00 0.00 H new ATOM 0 HA HIS A 49 -7.942 24.137 -20.349 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.447 22.356 -22.208 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.577 22.830 -20.762 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.085 22.454 -18.425 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -8.042 20.185 -21.815 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.414 20.450 -17.597 1.00 0.00 H new ATOM 751 N VAL A 50 -5.205 25.098 -21.939 1.00 0.00 N ATOM 752 CA VAL A 50 -4.149 26.104 -21.948 1.00 0.00 C ATOM 753 C VAL A 50 -4.653 27.424 -22.521 1.00 0.00 C ATOM 754 O VAL A 50 -3.923 28.414 -22.562 1.00 0.00 O ATOM 755 CB VAL A 50 -2.932 25.633 -22.767 1.00 0.00 C ATOM 756 CG1 VAL A 50 -1.956 26.779 -22.980 1.00 0.00 C ATOM 757 CG2 VAL A 50 -2.249 24.461 -22.079 1.00 0.00 C ATOM 0 H VAL A 50 -5.072 24.341 -22.610 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.845 26.253 -20.912 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.281 25.298 -23.744 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.103 26.427 -23.560 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.454 27.585 -23.519 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.611 27.147 -22.014 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.392 24.141 -22.671 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.912 24.767 -21.088 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.953 23.634 -21.984 1.00 0.00 H new ATOM 767 N GLY A 51 -5.907 27.431 -22.962 1.00 0.00 N ATOM 768 CA GLY A 51 -6.488 28.635 -23.527 1.00 0.00 C ATOM 769 C GLY A 51 -5.627 29.237 -24.620 1.00 0.00 C ATOM 770 O GLY A 51 -4.533 28.747 -24.899 1.00 0.00 O ATOM 0 H GLY A 51 -6.531 26.625 -22.938 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.474 28.404 -23.931 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.632 29.371 -22.736 1.00 0.00 H new ATOM 774 N GLY A 52 -6.123 30.301 -25.244 1.00 0.00 N ATOM 775 CA GLY A 52 -5.380 30.951 -26.307 1.00 0.00 C ATOM 776 C GLY A 52 -4.216 31.770 -25.785 1.00 0.00 C ATOM 777 O GLY A 52 -3.754 31.584 -24.658 1.00 0.00 O ATOM 0 H GLY A 52 -7.026 30.724 -25.032 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.007 30.196 -26.999 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.051 31.598 -26.872 1.00 0.00 H new ATOM 781 N PRO A 53 -3.722 32.700 -26.615 1.00 0.00 N ATOM 782 CA PRO A 53 -2.598 33.568 -26.252 1.00 0.00 C ATOM 783 C PRO A 53 -2.973 34.585 -25.179 1.00 0.00 C ATOM 784 O PRO A 53 -2.106 35.121 -24.490 1.00 0.00 O ATOM 785 CB PRO A 53 -2.259 34.278 -27.565 1.00 0.00 C ATOM 786 CG PRO A 53 -3.528 34.257 -28.345 1.00 0.00 C ATOM 787 CD PRO A 53 -4.223 32.977 -27.971 1.00 0.00 C ATOM 0 HA PRO A 53 -1.767 33.003 -25.830 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.920 35.299 -27.387 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.458 33.765 -28.097 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.147 35.122 -28.106 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.328 34.294 -29.416 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.307 33.090 -27.983 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.979 32.170 -28.662 1.00 0.00 H new ATOM 795 N GLU A 54 -4.270 34.844 -25.043 1.00 0.00 N ATOM 796 CA GLU A 54 -4.758 35.796 -24.052 1.00 0.00 C ATOM 797 C GLU A 54 -4.375 35.359 -22.642 1.00 0.00 C ATOM 798 O GLU A 54 -4.440 36.146 -21.698 1.00 0.00 O ATOM 799 CB GLU A 54 -6.277 35.942 -24.158 1.00 0.00 C ATOM 800 CG GLU A 54 -6.730 36.734 -25.373 1.00 0.00 C ATOM 801 CD GLU A 54 -6.183 36.173 -26.672 1.00 0.00 C ATOM 802 OE1 GLU A 54 -6.180 34.935 -26.829 1.00 0.00 O ATOM 803 OE2 GLU A 54 -5.758 36.974 -27.531 1.00 0.00 O ATOM 0 H GLU A 54 -5.001 34.408 -25.606 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.292 36.761 -24.253 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.727 34.950 -24.193 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.650 36.430 -23.257 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.819 36.739 -25.414 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.411 37.771 -25.266 1.00 0.00 H new ATOM 810 N GLN A 55 -3.976 34.098 -22.507 1.00 0.00 N ATOM 811 CA GLN A 55 -3.584 33.556 -21.211 1.00 0.00 C ATOM 812 C GLN A 55 -2.108 33.821 -20.934 1.00 0.00 C ATOM 813 O GLN A 55 -1.233 33.191 -21.525 1.00 0.00 O ATOM 814 CB GLN A 55 -3.863 32.053 -21.159 1.00 0.00 C ATOM 815 CG GLN A 55 -5.339 31.704 -21.255 1.00 0.00 C ATOM 816 CD GLN A 55 -6.164 32.819 -21.866 1.00 0.00 C ATOM 817 OE1 GLN A 55 -6.570 32.743 -23.026 1.00 0.00 O ATOM 818 NE2 GLN A 55 -6.417 33.865 -21.087 1.00 0.00 N ATOM 0 H GLN A 55 -3.916 33.433 -23.278 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.174 34.055 -20.442 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.329 31.565 -21.974 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.463 31.650 -20.229 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.457 30.801 -21.853 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.721 31.479 -20.259 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.061 33.887 -20.131 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.967 34.646 -21.445 1.00 0.00 H new ATOM 827 N ASN A 56 -1.840 34.759 -20.031 1.00 0.00 N ATOM 828 CA ASN A 56 -0.469 35.109 -19.677 1.00 0.00 C ATOM 829 C ASN A 56 0.303 33.878 -19.212 1.00 0.00 C ATOM 830 O ASN A 56 1.156 33.360 -19.932 1.00 0.00 O ATOM 831 CB ASN A 56 -0.461 36.174 -18.579 1.00 0.00 C ATOM 832 CG ASN A 56 -0.673 37.572 -19.128 1.00 0.00 C ATOM 833 OD1 ASN A 56 -0.409 37.837 -20.301 1.00 0.00 O ATOM 834 ND2 ASN A 56 -1.151 38.475 -18.279 1.00 0.00 N ATOM 0 H ASN A 56 -2.553 35.290 -19.532 1.00 0.00 H new ATOM 0 HA ASN A 56 0.020 35.509 -20.566 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.242 35.949 -17.853 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.489 36.136 -18.047 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.313 39.433 -18.591 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.356 38.211 -17.315 1.00 0.00 H new ATOM 841 N ASN A 57 -0.002 33.415 -18.004 1.00 0.00 N ATOM 842 CA ASN A 57 0.663 32.245 -17.443 1.00 0.00 C ATOM 843 C ASN A 57 -0.082 30.966 -17.813 1.00 0.00 C ATOM 844 O ASN A 57 -1.158 30.686 -17.282 1.00 0.00 O ATOM 845 CB ASN A 57 0.762 32.370 -15.922 1.00 0.00 C ATOM 846 CG ASN A 57 1.879 31.521 -15.344 1.00 0.00 C ATOM 847 OD1 ASN A 57 3.039 31.931 -15.326 1.00 0.00 O ATOM 848 ND2 ASN A 57 1.531 30.331 -14.868 1.00 0.00 N ATOM 0 H ASN A 57 -0.706 33.832 -17.395 1.00 0.00 H new ATOM 0 HA ASN A 57 1.668 32.193 -17.862 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.928 33.414 -15.656 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.186 32.073 -15.473 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.238 29.716 -14.467 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.556 30.033 -14.904 1.00 0.00 H new ATOM 855 N HIS A 58 0.497 30.192 -18.725 1.00 0.00 N ATOM 856 CA HIS A 58 -0.112 28.942 -19.165 1.00 0.00 C ATOM 857 C HIS A 58 0.649 27.742 -18.608 1.00 0.00 C ATOM 858 O HIS A 58 1.847 27.590 -18.844 1.00 0.00 O ATOM 859 CB HIS A 58 -0.144 28.875 -20.692 1.00 0.00 C ATOM 860 CG HIS A 58 1.028 29.539 -21.346 1.00 0.00 C ATOM 861 ND1 HIS A 58 1.009 30.849 -21.776 1.00 0.00 N ATOM 862 CD2 HIS A 58 2.262 29.066 -21.640 1.00 0.00 C ATOM 863 CE1 HIS A 58 2.179 31.153 -22.309 1.00 0.00 C ATOM 864 NE2 HIS A 58 2.958 30.088 -22.238 1.00 0.00 N ATOM 0 H HIS A 58 1.387 30.408 -19.174 1.00 0.00 H new ATOM 0 HA HIS A 58 -1.134 28.911 -18.786 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -0.178 27.830 -21.001 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -1.062 29.343 -21.049 1.00 0.00 H new ATOM 0 HD1 HIS A 58 0.215 31.484 -21.695 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.630 28.070 -21.441 1.00 0.00 H new ATOM 0 HE1 HIS A 58 2.452 32.109 -22.731 1.00 0.00 H new ATOM 872 N VAL A 59 -0.056 26.894 -17.866 1.00 0.00 N ATOM 873 CA VAL A 59 0.552 25.707 -17.275 1.00 0.00 C ATOM 874 C VAL A 59 -0.350 24.489 -17.436 1.00 0.00 C ATOM 875 O VAL A 59 -1.562 24.569 -17.233 1.00 0.00 O ATOM 876 CB VAL A 59 0.852 25.916 -15.779 1.00 0.00 C ATOM 877 CG1 VAL A 59 1.796 24.839 -15.268 1.00 0.00 C ATOM 878 CG2 VAL A 59 1.432 27.302 -15.541 1.00 0.00 C ATOM 0 H VAL A 59 -1.049 27.007 -17.660 1.00 0.00 H new ATOM 0 HA VAL A 59 1.489 25.534 -17.805 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.083 25.838 -15.224 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.996 25.003 -14.209 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.337 23.859 -15.403 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.732 24.881 -15.825 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.638 27.433 -14.479 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.358 27.411 -16.106 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.717 28.057 -15.867 1.00 0.00 H new ATOM 888 N CYS A 60 0.249 23.361 -17.803 1.00 0.00 N ATOM 889 CA CYS A 60 -0.499 22.124 -17.991 1.00 0.00 C ATOM 890 C CYS A 60 -0.263 21.162 -16.830 1.00 0.00 C ATOM 891 O CYS A 60 0.862 20.720 -16.596 1.00 0.00 O ATOM 892 CB CYS A 60 -0.100 21.457 -19.309 1.00 0.00 C ATOM 893 SG CYS A 60 -0.031 19.639 -19.232 1.00 0.00 S ATOM 0 H CYS A 60 1.251 23.278 -17.976 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.560 22.373 -18.023 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.810 21.750 -20.082 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.876 21.834 -19.614 1.00 0.00 H new ATOM 898 N TYR A 61 -1.330 20.844 -16.106 1.00 0.00 N ATOM 899 CA TYR A 61 -1.239 19.937 -14.968 1.00 0.00 C ATOM 900 C TYR A 61 -1.781 18.556 -15.327 1.00 0.00 C ATOM 901 O TYR A 61 -2.988 18.322 -15.287 1.00 0.00 O ATOM 902 CB TYR A 61 -2.008 20.504 -13.774 1.00 0.00 C ATOM 903 CG TYR A 61 -1.638 21.932 -13.439 1.00 0.00 C ATOM 904 CD1 TYR A 61 -0.547 22.215 -12.628 1.00 0.00 C ATOM 905 CD2 TYR A 61 -2.381 22.997 -13.934 1.00 0.00 C ATOM 906 CE1 TYR A 61 -0.206 23.518 -12.319 1.00 0.00 C ATOM 907 CE2 TYR A 61 -2.047 24.302 -13.631 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.959 24.558 -12.823 1.00 0.00 C ATOM 909 OH TYR A 61 -0.622 25.857 -12.518 1.00 0.00 O ATOM 0 H TYR A 61 -2.268 21.201 -16.287 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.187 19.836 -14.700 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.076 20.454 -13.984 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.824 19.876 -12.902 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.045 21.403 -12.232 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.234 22.801 -14.566 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.645 23.721 -11.686 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.635 25.118 -14.025 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.252 26.469 -12.953 1.00 0.00 H new ATOM 919 N TRP A 62 -0.878 17.647 -15.677 1.00 0.00 N ATOM 920 CA TRP A 62 -1.264 16.289 -16.043 1.00 0.00 C ATOM 921 C TRP A 62 -1.277 15.379 -14.819 1.00 0.00 C ATOM 922 O TRP A 62 -0.461 15.533 -13.912 1.00 0.00 O ATOM 923 CB TRP A 62 -0.308 15.731 -17.098 1.00 0.00 C ATOM 924 CG TRP A 62 -0.972 14.804 -18.070 1.00 0.00 C ATOM 925 CD1 TRP A 62 -0.916 13.439 -18.070 1.00 0.00 C ATOM 926 CD2 TRP A 62 -1.790 15.173 -19.186 1.00 0.00 C ATOM 927 NE1 TRP A 62 -1.650 12.938 -19.118 1.00 0.00 N ATOM 928 CE2 TRP A 62 -2.197 13.981 -19.817 1.00 0.00 C ATOM 929 CE3 TRP A 62 -2.220 16.394 -19.712 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -3.011 13.978 -20.947 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -3.027 16.389 -20.833 1.00 0.00 C ATOM 932 CH2 TRP A 62 -3.417 15.188 -21.440 1.00 0.00 C ATOM 0 H TRP A 62 0.126 17.825 -15.715 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.271 16.324 -16.458 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.141 16.560 -17.646 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.504 15.202 -16.599 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.374 12.841 -17.352 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.768 11.949 -19.339 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.927 17.325 -19.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.311 13.053 -21.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -3.363 17.327 -21.249 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -4.051 15.218 -22.314 1.00 0.00 H new ATOM 943 N GLU A 63 -2.209 14.430 -14.802 1.00 0.00 N ATOM 944 CA GLU A 63 -2.326 13.496 -13.689 1.00 0.00 C ATOM 945 C GLU A 63 -0.956 12.968 -13.274 1.00 0.00 C ATOM 946 O GLU A 63 -0.775 12.495 -12.153 1.00 0.00 O ATOM 947 CB GLU A 63 -3.241 12.330 -14.067 1.00 0.00 C ATOM 948 CG GLU A 63 -3.156 11.153 -13.109 1.00 0.00 C ATOM 949 CD GLU A 63 -4.050 10.000 -13.521 1.00 0.00 C ATOM 950 OE1 GLU A 63 -4.904 10.199 -14.410 1.00 0.00 O ATOM 951 OE2 GLU A 63 -3.896 8.898 -12.953 1.00 0.00 O ATOM 0 H GLU A 63 -2.893 14.289 -15.546 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.761 14.031 -12.844 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.271 12.685 -14.103 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.986 11.990 -15.071 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.124 10.807 -13.056 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.433 11.483 -12.108 1.00 0.00 H new ATOM 958 N GLU A 64 0.006 13.053 -14.188 1.00 0.00 N ATOM 959 CA GLU A 64 1.359 12.582 -13.918 1.00 0.00 C ATOM 960 C GLU A 64 2.363 13.244 -14.858 1.00 0.00 C ATOM 961 O GLU A 64 3.355 12.632 -15.255 1.00 0.00 O ATOM 962 CB GLU A 64 1.433 11.061 -14.064 1.00 0.00 C ATOM 963 CG GLU A 64 2.843 10.507 -13.956 1.00 0.00 C ATOM 964 CD GLU A 64 2.883 9.136 -13.309 1.00 0.00 C ATOM 965 OE1 GLU A 64 2.885 9.069 -12.062 1.00 0.00 O ATOM 966 OE2 GLU A 64 2.913 8.130 -14.049 1.00 0.00 O ATOM 0 H GLU A 64 -0.127 13.443 -15.121 1.00 0.00 H new ATOM 0 HA GLU A 64 1.613 12.853 -12.893 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.811 10.600 -13.297 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.013 10.776 -15.029 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.283 10.448 -14.951 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.457 11.196 -13.376 1.00 0.00 H new ATOM 973 N CYS A 65 2.097 14.497 -15.212 1.00 0.00 N ATOM 974 CA CYS A 65 2.974 15.242 -16.106 1.00 0.00 C ATOM 975 C CYS A 65 4.433 15.095 -15.683 1.00 0.00 C ATOM 976 O CYS A 65 4.780 15.210 -14.507 1.00 0.00 O ATOM 977 CB CYS A 65 2.583 16.721 -16.122 1.00 0.00 C ATOM 978 SG CYS A 65 3.038 17.594 -17.655 1.00 0.00 S ATOM 0 H CYS A 65 1.280 15.018 -14.893 1.00 0.00 H new ATOM 0 HA CYS A 65 2.862 14.832 -17.110 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.506 16.803 -15.976 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.058 17.220 -15.278 1.00 0.00 H new ATOM 983 N PRO A 66 5.310 14.836 -16.665 1.00 0.00 N ATOM 984 CA PRO A 66 6.746 14.668 -16.420 1.00 0.00 C ATOM 985 C PRO A 66 7.423 15.977 -16.027 1.00 0.00 C ATOM 986 O PRO A 66 8.516 15.975 -15.460 1.00 0.00 O ATOM 987 CB PRO A 66 7.280 14.172 -17.766 1.00 0.00 C ATOM 988 CG PRO A 66 6.307 14.685 -18.771 1.00 0.00 C ATOM 989 CD PRO A 66 4.967 14.686 -18.089 1.00 0.00 C ATOM 0 HA PRO A 66 6.942 13.987 -15.592 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.284 14.551 -17.958 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.339 13.084 -17.792 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.578 15.688 -19.100 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.293 14.052 -19.658 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.338 15.505 -18.439 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.420 13.762 -18.276 1.00 0.00 H new ATOM 997 N ARG A 67 6.768 17.092 -16.333 1.00 0.00 N ATOM 998 CA ARG A 67 7.309 18.407 -16.013 1.00 0.00 C ATOM 999 C ARG A 67 6.875 18.848 -14.618 1.00 0.00 C ATOM 1000 O ARG A 67 7.416 19.805 -14.063 1.00 0.00 O ATOM 1001 CB ARG A 67 6.852 19.436 -17.049 1.00 0.00 C ATOM 1002 CG ARG A 67 7.261 19.090 -18.472 1.00 0.00 C ATOM 1003 CD ARG A 67 8.734 19.378 -18.714 1.00 0.00 C ATOM 1004 NE ARG A 67 9.596 18.368 -18.105 1.00 0.00 N ATOM 1005 CZ ARG A 67 10.923 18.426 -18.127 1.00 0.00 C ATOM 1006 NH1 ARG A 67 11.537 19.438 -18.724 1.00 0.00 N ATOM 1007 NH2 ARG A 67 11.639 17.469 -17.551 1.00 0.00 N ATOM 0 H ARG A 67 5.862 17.111 -16.802 1.00 0.00 H new ATOM 0 HA ARG A 67 8.397 18.339 -16.033 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.767 19.527 -17.004 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.265 20.410 -16.788 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.059 18.036 -18.664 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.657 19.663 -19.175 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.924 19.418 -19.787 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.983 20.359 -18.309 1.00 0.00 H new ATOM 0 HE ARG A 67 9.155 17.576 -17.638 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.990 20.176 -19.168 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.556 19.479 -18.739 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.171 16.688 -17.091 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.658 17.514 -17.568 1.00 0.00 H new ATOM 1021 N GLU A 68 5.896 18.145 -14.058 1.00 0.00 N ATOM 1022 CA GLU A 68 5.390 18.465 -12.729 1.00 0.00 C ATOM 1023 C GLU A 68 4.765 19.857 -12.706 1.00 0.00 C ATOM 1024 O GLU A 68 4.895 20.592 -11.728 1.00 0.00 O ATOM 1025 CB GLU A 68 6.516 18.382 -11.696 1.00 0.00 C ATOM 1026 CG GLU A 68 7.348 17.116 -11.803 1.00 0.00 C ATOM 1027 CD GLU A 68 8.385 17.004 -10.703 1.00 0.00 C ATOM 1028 OE1 GLU A 68 7.989 16.852 -9.528 1.00 0.00 O ATOM 1029 OE2 GLU A 68 9.592 17.070 -11.016 1.00 0.00 O ATOM 0 H GLU A 68 5.438 17.350 -14.504 1.00 0.00 H new ATOM 0 HA GLU A 68 4.621 17.736 -12.476 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.169 19.247 -11.813 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.086 18.440 -10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.689 16.249 -11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.848 17.095 -12.772 1.00 0.00 H new ATOM 1036 N GLY A 69 4.085 20.212 -13.792 1.00 0.00 N ATOM 1037 CA GLY A 69 3.450 21.515 -13.876 1.00 0.00 C ATOM 1038 C GLY A 69 4.446 22.653 -13.773 1.00 0.00 C ATOM 1039 O GLY A 69 4.408 23.437 -12.824 1.00 0.00 O ATOM 0 H GLY A 69 3.962 19.621 -14.615 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.911 21.593 -14.820 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.713 21.608 -13.079 1.00 0.00 H new ATOM 1043 N LYS A 70 5.341 22.744 -14.750 1.00 0.00 N ATOM 1044 CA LYS A 70 6.353 23.794 -14.766 1.00 0.00 C ATOM 1045 C LYS A 70 6.104 24.772 -15.910 1.00 0.00 C ATOM 1046 O LYS A 70 5.808 24.365 -17.034 1.00 0.00 O ATOM 1047 CB LYS A 70 7.750 23.183 -14.898 1.00 0.00 C ATOM 1048 CG LYS A 70 8.362 22.772 -13.570 1.00 0.00 C ATOM 1049 CD LYS A 70 8.958 23.964 -12.839 1.00 0.00 C ATOM 1050 CE LYS A 70 10.399 24.211 -13.259 1.00 0.00 C ATOM 1051 NZ LYS A 70 10.482 24.963 -14.541 1.00 0.00 N ATOM 0 H LYS A 70 5.387 22.103 -15.542 1.00 0.00 H new ATOM 0 HA LYS A 70 6.290 24.340 -13.824 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.696 22.310 -15.549 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.408 23.903 -15.384 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.600 22.305 -12.946 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.136 22.024 -13.741 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.361 24.853 -13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.916 23.791 -11.764 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.915 24.768 -12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.915 23.257 -13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.365 25.511 -14.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.467 24.294 -15.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.671 25.610 -14.617 1.00 0.00 H new ATOM 1065 N SER A 71 6.228 26.062 -15.617 1.00 0.00 N ATOM 1066 CA SER A 71 6.014 27.098 -16.621 1.00 0.00 C ATOM 1067 C SER A 71 7.015 26.961 -17.765 1.00 0.00 C ATOM 1068 O SER A 71 7.984 26.207 -17.670 1.00 0.00 O ATOM 1069 CB SER A 71 6.135 28.485 -15.987 1.00 0.00 C ATOM 1070 OG SER A 71 7.485 28.911 -15.944 1.00 0.00 O ATOM 0 H SER A 71 6.476 26.415 -14.693 1.00 0.00 H new ATOM 0 HA SER A 71 5.009 26.976 -17.024 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.543 29.201 -16.556 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.725 28.464 -14.977 1.00 0.00 H new ATOM 0 HG SER A 71 7.534 29.801 -15.536 1.00 0.00 H new ATOM 1076 N PHE A 72 6.773 27.696 -18.845 1.00 0.00 N ATOM 1077 CA PHE A 72 7.652 27.656 -20.009 1.00 0.00 C ATOM 1078 C PHE A 72 8.193 29.046 -20.328 1.00 0.00 C ATOM 1079 O PHE A 72 7.893 30.018 -19.633 1.00 0.00 O ATOM 1080 CB PHE A 72 6.903 27.097 -21.220 1.00 0.00 C ATOM 1081 CG PHE A 72 6.615 25.627 -21.121 1.00 0.00 C ATOM 1082 CD1 PHE A 72 5.669 25.152 -20.227 1.00 0.00 C ATOM 1083 CD2 PHE A 72 7.290 24.719 -21.921 1.00 0.00 C ATOM 1084 CE1 PHE A 72 5.401 23.799 -20.133 1.00 0.00 C ATOM 1085 CE2 PHE A 72 7.026 23.365 -21.832 1.00 0.00 C ATOM 1086 CZ PHE A 72 6.081 22.905 -20.936 1.00 0.00 C ATOM 0 H PHE A 72 5.976 28.326 -18.939 1.00 0.00 H new ATOM 0 HA PHE A 72 8.493 27.002 -19.777 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.963 27.636 -21.336 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.491 27.284 -22.119 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.135 25.847 -19.596 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.031 25.073 -22.622 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.661 23.442 -19.432 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.558 22.668 -22.462 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.874 21.847 -20.864 1.00 0.00 H new ATOM 1096 N LYS A 73 8.994 29.134 -21.385 1.00 0.00 N ATOM 1097 CA LYS A 73 9.579 30.404 -21.799 1.00 0.00 C ATOM 1098 C LYS A 73 8.788 31.018 -22.950 1.00 0.00 C ATOM 1099 O LYS A 73 9.048 32.148 -23.361 1.00 0.00 O ATOM 1100 CB LYS A 73 11.037 30.205 -22.218 1.00 0.00 C ATOM 1101 CG LYS A 73 12.008 30.177 -21.050 1.00 0.00 C ATOM 1102 CD LYS A 73 12.006 28.825 -20.356 1.00 0.00 C ATOM 1103 CE LYS A 73 12.448 27.715 -21.296 1.00 0.00 C ATOM 1104 NZ LYS A 73 12.835 26.482 -20.556 1.00 0.00 N ATOM 0 H LYS A 73 9.253 28.340 -21.971 1.00 0.00 H new ATOM 0 HA LYS A 73 9.541 31.087 -20.950 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.122 29.271 -22.773 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.323 31.007 -22.898 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.013 30.403 -21.406 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.741 30.955 -20.335 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.670 28.857 -19.492 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.006 28.609 -19.981 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.640 27.483 -21.990 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.292 28.060 -21.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.130 25.749 -21.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.623 26.696 -19.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.022 26.138 -20.006 1.00 0.00 H new ATOM 1118 N ALA A 74 7.820 30.266 -23.463 1.00 0.00 N ATOM 1119 CA ALA A 74 6.988 30.738 -24.564 1.00 0.00 C ATOM 1120 C ALA A 74 5.729 29.889 -24.704 1.00 0.00 C ATOM 1121 O ALA A 74 5.544 28.910 -23.980 1.00 0.00 O ATOM 1122 CB ALA A 74 7.779 30.730 -25.864 1.00 0.00 C ATOM 0 H ALA A 74 7.592 29.328 -23.134 1.00 0.00 H new ATOM 0 HA ALA A 74 6.682 31.761 -24.343 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.146 31.085 -26.677 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.645 31.384 -25.767 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.113 29.715 -26.080 1.00 0.00 H new ATOM 1128 N LYS A 75 4.865 30.271 -25.638 1.00 0.00 N ATOM 1129 CA LYS A 75 3.622 29.545 -25.874 1.00 0.00 C ATOM 1130 C LYS A 75 3.883 28.255 -26.644 1.00 0.00 C ATOM 1131 O LYS A 75 3.561 27.164 -26.173 1.00 0.00 O ATOM 1132 CB LYS A 75 2.635 30.422 -26.647 1.00 0.00 C ATOM 1133 CG LYS A 75 1.788 31.315 -25.756 1.00 0.00 C ATOM 1134 CD LYS A 75 0.769 30.509 -24.967 1.00 0.00 C ATOM 1135 CE LYS A 75 -0.394 30.070 -25.843 1.00 0.00 C ATOM 1136 NZ LYS A 75 -0.121 28.771 -26.518 1.00 0.00 N ATOM 0 H LYS A 75 5.002 31.080 -26.244 1.00 0.00 H new ATOM 0 HA LYS A 75 3.191 29.288 -24.906 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.188 31.044 -27.350 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.978 29.782 -27.236 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.433 31.861 -25.068 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.273 32.057 -26.367 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.252 29.632 -24.536 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.395 31.107 -24.136 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.294 29.981 -25.234 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.592 30.835 -26.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.090 28.915 -27.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.793 28.396 -26.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.875 28.094 -26.285 1.00 0.00 H new ATOM 1150 N TYR A 76 4.469 28.387 -27.828 1.00 0.00 N ATOM 1151 CA TYR A 76 4.773 27.231 -28.664 1.00 0.00 C ATOM 1152 C TYR A 76 5.559 26.184 -27.880 1.00 0.00 C ATOM 1153 O TYR A 76 5.605 25.013 -28.259 1.00 0.00 O ATOM 1154 CB TYR A 76 5.567 27.662 -29.898 1.00 0.00 C ATOM 1155 CG TYR A 76 6.585 28.744 -29.616 1.00 0.00 C ATOM 1156 CD1 TYR A 76 7.794 28.444 -29.000 1.00 0.00 C ATOM 1157 CD2 TYR A 76 6.338 30.066 -29.965 1.00 0.00 C ATOM 1158 CE1 TYR A 76 8.727 29.429 -28.739 1.00 0.00 C ATOM 1159 CE2 TYR A 76 7.266 31.057 -29.710 1.00 0.00 C ATOM 1160 CZ TYR A 76 8.458 30.733 -29.096 1.00 0.00 C ATOM 1161 OH TYR A 76 9.384 31.718 -28.839 1.00 0.00 O ATOM 0 H TYR A 76 4.743 29.283 -28.231 1.00 0.00 H new ATOM 0 HA TYR A 76 3.830 26.788 -28.984 1.00 0.00 H new ATOM 0 HB2 TYR A 76 6.078 26.793 -30.312 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.873 28.017 -30.660 1.00 0.00 H new ATOM 0 HD1 TYR A 76 8.008 27.423 -28.720 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.405 30.323 -30.444 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.661 29.179 -28.258 1.00 0.00 H new ATOM 0 HE2 TYR A 76 7.059 32.079 -29.990 1.00 0.00 H new ATOM 0 HH TYR A 76 9.040 32.580 -29.154 1.00 0.00 H new ATOM 1171 N LYS A 77 6.175 26.614 -26.785 1.00 0.00 N ATOM 1172 CA LYS A 77 6.958 25.715 -25.945 1.00 0.00 C ATOM 1173 C LYS A 77 6.050 24.772 -25.162 1.00 0.00 C ATOM 1174 O LYS A 77 6.363 23.594 -24.988 1.00 0.00 O ATOM 1175 CB LYS A 77 7.830 26.519 -24.977 1.00 0.00 C ATOM 1176 CG LYS A 77 8.709 27.550 -25.664 1.00 0.00 C ATOM 1177 CD LYS A 77 9.881 26.897 -26.378 1.00 0.00 C ATOM 1178 CE LYS A 77 11.085 26.757 -25.460 1.00 0.00 C ATOM 1179 NZ LYS A 77 11.917 25.573 -25.813 1.00 0.00 N ATOM 0 H LYS A 77 6.148 27.580 -26.458 1.00 0.00 H new ATOM 0 HA LYS A 77 7.599 25.119 -26.594 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.187 27.024 -24.256 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.462 25.832 -24.414 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.115 28.116 -26.381 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.081 28.261 -24.927 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.584 25.914 -26.743 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.154 27.491 -27.250 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.694 27.659 -25.519 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.746 26.668 -24.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.728 25.512 -25.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.344 24.709 -25.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.262 25.670 -26.790 1.00 0.00 H new ATOM 1193 N LEU A 78 4.923 25.297 -24.694 1.00 0.00 N ATOM 1194 CA LEU A 78 3.967 24.501 -23.932 1.00 0.00 C ATOM 1195 C LEU A 78 3.066 23.694 -24.861 1.00 0.00 C ATOM 1196 O LEU A 78 2.816 22.511 -24.628 1.00 0.00 O ATOM 1197 CB LEU A 78 3.117 25.406 -23.039 1.00 0.00 C ATOM 1198 CG LEU A 78 1.834 24.788 -22.483 1.00 0.00 C ATOM 1199 CD1 LEU A 78 2.160 23.664 -21.512 1.00 0.00 C ATOM 1200 CD2 LEU A 78 0.979 25.850 -21.806 1.00 0.00 C ATOM 0 H LEU A 78 4.649 26.270 -24.829 1.00 0.00 H new ATOM 0 HA LEU A 78 4.528 23.806 -23.307 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.731 25.735 -22.200 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.850 26.297 -23.608 1.00 0.00 H new ATOM 0 HG LEU A 78 1.266 24.369 -23.314 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.234 23.236 -21.127 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.730 22.891 -22.028 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.750 24.058 -20.684 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.070 25.391 -21.416 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.539 26.299 -20.986 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.715 26.621 -22.530 1.00 0.00 H new ATOM 1212 N VAL A 79 2.583 24.340 -25.917 1.00 0.00 N ATOM 1213 CA VAL A 79 1.713 23.682 -26.884 1.00 0.00 C ATOM 1214 C VAL A 79 2.349 22.402 -27.414 1.00 0.00 C ATOM 1215 O VAL A 79 1.680 21.381 -27.566 1.00 0.00 O ATOM 1216 CB VAL A 79 1.388 24.610 -28.070 1.00 0.00 C ATOM 1217 CG1 VAL A 79 0.662 23.843 -29.165 1.00 0.00 C ATOM 1218 CG2 VAL A 79 0.563 25.800 -27.604 1.00 0.00 C ATOM 0 H VAL A 79 2.780 25.319 -26.125 1.00 0.00 H new ATOM 0 HA VAL A 79 0.789 23.436 -26.361 1.00 0.00 H new ATOM 0 HB VAL A 79 2.324 24.985 -28.483 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.441 24.515 -29.994 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.293 23.027 -29.517 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.269 23.437 -28.769 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.342 26.445 -28.454 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.370 25.446 -27.165 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.125 26.362 -26.858 1.00 0.00 H new ATOM 1228 N ASN A 80 3.647 22.465 -27.694 1.00 0.00 N ATOM 1229 CA ASN A 80 4.375 21.311 -28.208 1.00 0.00 C ATOM 1230 C ASN A 80 4.479 20.217 -27.148 1.00 0.00 C ATOM 1231 O ASN A 80 4.433 19.028 -27.462 1.00 0.00 O ATOM 1232 CB ASN A 80 5.775 21.726 -28.665 1.00 0.00 C ATOM 1233 CG ASN A 80 6.812 21.570 -27.570 1.00 0.00 C ATOM 1234 OD1 ASN A 80 7.014 20.477 -27.043 1.00 0.00 O ATOM 1235 ND2 ASN A 80 7.474 22.668 -27.222 1.00 0.00 N ATOM 0 H ASN A 80 4.216 23.303 -27.573 1.00 0.00 H new ATOM 0 HA ASN A 80 3.823 20.916 -29.061 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.066 21.124 -29.526 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.753 22.765 -28.995 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.183 22.626 -26.490 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.273 23.553 -27.687 1.00 0.00 H new ATOM 1242 N HIS A 81 4.618 20.629 -25.892 1.00 0.00 N ATOM 1243 CA HIS A 81 4.727 19.685 -24.786 1.00 0.00 C ATOM 1244 C HIS A 81 3.497 18.785 -24.716 1.00 0.00 C ATOM 1245 O HIS A 81 3.614 17.560 -24.683 1.00 0.00 O ATOM 1246 CB HIS A 81 4.900 20.434 -23.464 1.00 0.00 C ATOM 1247 CG HIS A 81 4.279 19.736 -22.294 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.893 18.701 -21.622 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.090 19.931 -21.676 1.00 0.00 C ATOM 1250 CE1 HIS A 81 4.109 18.288 -20.642 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.009 19.019 -20.653 1.00 0.00 N ATOM 0 H HIS A 81 4.658 21.610 -25.615 1.00 0.00 H new ATOM 0 HA HIS A 81 5.603 19.060 -24.959 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.964 20.573 -23.271 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.461 21.427 -23.559 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.810 18.314 -21.846 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.344 20.667 -21.939 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.330 17.489 -19.950 1.00 0.00 H new ATOM 1259 N ILE A 82 2.320 19.401 -24.694 1.00 0.00 N ATOM 1260 CA ILE A 82 1.069 18.656 -24.629 1.00 0.00 C ATOM 1261 C ILE A 82 1.017 17.574 -25.703 1.00 0.00 C ATOM 1262 O ILE A 82 0.229 16.633 -25.613 1.00 0.00 O ATOM 1263 CB ILE A 82 -0.149 19.584 -24.792 1.00 0.00 C ATOM 1264 CG1 ILE A 82 0.046 20.865 -23.979 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -1.422 18.868 -24.365 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -1.226 21.663 -23.794 1.00 0.00 C ATOM 0 H ILE A 82 2.207 20.414 -24.720 1.00 0.00 H new ATOM 0 HA ILE A 82 1.031 18.190 -23.644 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.243 19.854 -25.844 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.449 20.606 -23.000 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.789 21.490 -24.474 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.274 19.537 -24.486 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.566 17.982 -24.983 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.339 18.571 -23.319 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.013 22.557 -23.209 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.619 21.953 -24.769 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.964 21.055 -23.271 1.00 0.00 H new ATOM 1278 N ARG A 83 1.863 17.715 -26.718 1.00 0.00 N ATOM 1279 CA ARG A 83 1.915 16.750 -27.809 1.00 0.00 C ATOM 1280 C ARG A 83 2.413 15.395 -27.314 1.00 0.00 C ATOM 1281 O ARG A 83 2.006 14.349 -27.819 1.00 0.00 O ATOM 1282 CB ARG A 83 2.823 17.262 -28.929 1.00 0.00 C ATOM 1283 CG ARG A 83 2.518 18.688 -29.356 1.00 0.00 C ATOM 1284 CD ARG A 83 1.381 18.737 -30.364 1.00 0.00 C ATOM 1285 NE ARG A 83 1.510 19.867 -31.281 1.00 0.00 N ATOM 1286 CZ ARG A 83 2.379 19.902 -32.286 1.00 0.00 C ATOM 1287 NH1 ARG A 83 3.190 18.876 -32.502 1.00 0.00 N ATOM 1288 NH2 ARG A 83 2.437 20.966 -33.077 1.00 0.00 N ATOM 0 H ARG A 83 2.522 18.488 -26.807 1.00 0.00 H new ATOM 0 HA ARG A 83 0.905 16.626 -28.199 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.860 17.204 -28.599 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.726 16.604 -29.793 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.256 19.283 -28.481 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.411 19.137 -29.791 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.362 17.808 -30.934 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.430 18.806 -29.835 1.00 0.00 H new ATOM 0 HE ARG A 83 0.900 20.673 -31.142 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.148 18.057 -31.896 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.856 18.906 -33.274 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.815 21.757 -32.914 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.104 20.992 -33.848 1.00 0.00 H new ATOM 1302 N VAL A 84 3.299 15.423 -26.323 1.00 0.00 N ATOM 1303 CA VAL A 84 3.853 14.198 -25.759 1.00 0.00 C ATOM 1304 C VAL A 84 2.815 13.459 -24.922 1.00 0.00 C ATOM 1305 O VAL A 84 2.926 12.254 -24.698 1.00 0.00 O ATOM 1306 CB VAL A 84 5.087 14.491 -24.885 1.00 0.00 C ATOM 1307 CG1 VAL A 84 6.052 15.413 -25.615 1.00 0.00 C ATOM 1308 CG2 VAL A 84 4.666 15.093 -23.553 1.00 0.00 C ATOM 0 H VAL A 84 3.648 16.280 -25.895 1.00 0.00 H new ATOM 0 HA VAL A 84 4.152 13.570 -26.598 1.00 0.00 H new ATOM 0 HB VAL A 84 5.601 13.551 -24.686 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.917 15.609 -24.982 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.379 14.939 -26.540 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.552 16.353 -25.847 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.551 15.294 -22.949 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.128 16.024 -23.729 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.018 14.393 -23.026 1.00 0.00 H new ATOM 1318 N HIS A 85 1.804 14.191 -24.462 1.00 0.00 N ATOM 1319 CA HIS A 85 0.744 13.605 -23.650 1.00 0.00 C ATOM 1320 C HIS A 85 -0.122 12.664 -24.483 1.00 0.00 C ATOM 1321 O HIS A 85 -0.939 11.916 -23.946 1.00 0.00 O ATOM 1322 CB HIS A 85 -0.122 14.704 -23.035 1.00 0.00 C ATOM 1323 CG HIS A 85 0.504 15.365 -21.846 1.00 0.00 C ATOM 1324 ND1 HIS A 85 1.505 14.780 -21.100 1.00 0.00 N ATOM 1325 CD2 HIS A 85 0.267 16.570 -21.277 1.00 0.00 C ATOM 1326 CE1 HIS A 85 1.856 15.595 -20.121 1.00 0.00 C ATOM 1327 NE2 HIS A 85 1.120 16.689 -20.207 1.00 0.00 N ATOM 0 H HIS A 85 1.697 15.190 -24.638 1.00 0.00 H new ATOM 0 HA HIS A 85 1.209 13.029 -22.850 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -0.329 15.459 -23.793 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -1.081 14.277 -22.740 1.00 0.00 H new ATOM 0 HD1 HIS A 85 1.911 13.861 -21.276 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.458 17.301 -21.603 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.615 15.400 -19.378 1.00 0.00 H new ATOM 1335 N THR A 86 0.062 12.708 -25.799 1.00 0.00 N ATOM 1336 CA THR A 86 -0.703 11.862 -26.707 1.00 0.00 C ATOM 1337 C THR A 86 0.145 10.709 -27.229 1.00 0.00 C ATOM 1338 O THR A 86 -0.304 9.564 -27.272 1.00 0.00 O ATOM 1339 CB THR A 86 -1.246 12.668 -27.902 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.209 12.872 -28.868 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.792 14.012 -27.445 1.00 0.00 C ATOM 0 H THR A 86 0.735 13.321 -26.260 1.00 0.00 H new ATOM 0 HA THR A 86 -1.542 11.463 -26.137 1.00 0.00 H new ATOM 0 HB THR A 86 -2.058 12.099 -28.356 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.529 13.368 -28.456 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.170 14.563 -28.306 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.601 13.853 -26.733 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.997 14.585 -26.968 1.00 0.00 H new ATOM 1349 N GLY A 87 1.376 11.017 -27.627 1.00 0.00 N ATOM 1350 CA GLY A 87 2.268 9.995 -28.141 1.00 0.00 C ATOM 1351 C GLY A 87 1.989 9.659 -29.593 1.00 0.00 C ATOM 1352 O GLY A 87 2.371 8.593 -30.074 1.00 0.00 O ATOM 0 H GLY A 87 1.771 11.957 -27.602 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.299 10.334 -28.041 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.169 9.093 -27.537 1.00 0.00 H new ATOM 1356 N GLU A 88 1.321 10.571 -30.292 1.00 0.00 N ATOM 1357 CA GLU A 88 0.990 10.364 -31.697 1.00 0.00 C ATOM 1358 C GLU A 88 1.847 11.252 -32.594 1.00 0.00 C ATOM 1359 O GLU A 88 1.744 12.479 -32.555 1.00 0.00 O ATOM 1360 CB GLU A 88 -0.493 10.653 -31.942 1.00 0.00 C ATOM 1361 CG GLU A 88 -1.090 9.843 -33.080 1.00 0.00 C ATOM 1362 CD GLU A 88 -2.552 10.164 -33.320 1.00 0.00 C ATOM 1363 OE1 GLU A 88 -3.412 9.562 -32.643 1.00 0.00 O ATOM 1364 OE2 GLU A 88 -2.837 11.018 -34.185 1.00 0.00 O ATOM 0 H GLU A 88 0.999 11.460 -29.909 1.00 0.00 H new ATOM 0 HA GLU A 88 1.196 9.322 -31.943 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.051 10.447 -31.028 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.617 11.714 -32.158 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.525 10.034 -33.992 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.987 8.781 -32.858 1.00 0.00 H new ATOM 1371 N LYS A 89 2.695 10.624 -33.402 1.00 0.00 N ATOM 1372 CA LYS A 89 3.570 11.354 -34.311 1.00 0.00 C ATOM 1373 C LYS A 89 2.955 11.446 -35.703 1.00 0.00 C ATOM 1374 O LYS A 89 2.164 10.598 -36.116 1.00 0.00 O ATOM 1375 CB LYS A 89 4.939 10.673 -34.390 1.00 0.00 C ATOM 1376 CG LYS A 89 5.427 10.132 -33.058 1.00 0.00 C ATOM 1377 CD LYS A 89 6.114 11.209 -32.236 1.00 0.00 C ATOM 1378 CE LYS A 89 7.260 11.850 -33.005 1.00 0.00 C ATOM 1379 NZ LYS A 89 8.268 12.458 -32.092 1.00 0.00 N ATOM 0 H LYS A 89 2.795 9.610 -33.445 1.00 0.00 H new ATOM 0 HA LYS A 89 3.695 12.364 -33.922 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.887 9.855 -35.108 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.669 11.387 -34.772 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.584 9.728 -32.498 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.119 9.308 -33.231 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.389 11.973 -31.957 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.493 10.776 -31.310 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.743 11.099 -33.631 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.866 12.616 -33.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.033 12.884 -32.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.813 13.192 -31.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.663 11.723 -31.472 1.00 0.00 H new ATOM 1393 N PRO A 90 3.325 12.500 -36.447 1.00 0.00 N ATOM 1394 CA PRO A 90 2.822 12.726 -37.805 1.00 0.00 C ATOM 1395 C PRO A 90 3.365 11.707 -38.801 1.00 0.00 C ATOM 1396 O PRO A 90 2.776 10.645 -39.002 1.00 0.00 O ATOM 1397 CB PRO A 90 3.333 14.129 -38.143 1.00 0.00 C ATOM 1398 CG PRO A 90 4.539 14.310 -37.287 1.00 0.00 C ATOM 1399 CD PRO A 90 4.264 13.550 -36.019 1.00 0.00 C ATOM 0 HA PRO A 90 1.738 12.627 -37.860 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.582 14.215 -39.201 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.579 14.887 -37.930 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.431 13.930 -37.784 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.715 15.365 -37.079 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.176 13.126 -35.599 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.828 14.191 -35.253 1.00 0.00 H new ATOM 1407 N PHE A 91 4.493 12.037 -39.423 1.00 0.00 N ATOM 1408 CA PHE A 91 5.115 11.151 -40.399 1.00 0.00 C ATOM 1409 C PHE A 91 6.609 11.001 -40.123 1.00 0.00 C ATOM 1410 O PHE A 91 7.288 11.943 -39.714 1.00 0.00 O ATOM 1411 CB PHE A 91 4.898 11.685 -41.816 1.00 0.00 C ATOM 1412 CG PHE A 91 4.452 13.119 -41.854 1.00 0.00 C ATOM 1413 CD1 PHE A 91 5.123 14.087 -41.124 1.00 0.00 C ATOM 1414 CD2 PHE A 91 3.362 13.499 -42.620 1.00 0.00 C ATOM 1415 CE1 PHE A 91 4.716 15.407 -41.157 1.00 0.00 C ATOM 1416 CE2 PHE A 91 2.950 14.818 -42.657 1.00 0.00 C ATOM 1417 CZ PHE A 91 3.627 15.773 -41.924 1.00 0.00 C ATOM 0 H PHE A 91 4.994 12.912 -39.268 1.00 0.00 H new ATOM 0 HA PHE A 91 4.647 10.170 -40.312 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.826 11.586 -42.379 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.153 11.068 -42.318 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.975 13.806 -40.522 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.828 12.756 -43.195 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.249 16.152 -40.584 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.099 15.102 -43.259 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.306 16.804 -41.950 1.00 0.00 H new ATOM 1427 N PRO A 92 7.133 9.788 -40.352 1.00 0.00 N ATOM 1428 CA PRO A 92 8.551 9.484 -40.135 1.00 0.00 C ATOM 1429 C PRO A 92 9.453 10.174 -41.152 1.00 0.00 C ATOM 1430 O PRO A 92 9.010 11.047 -41.899 1.00 0.00 O ATOM 1431 CB PRO A 92 8.618 7.964 -40.303 1.00 0.00 C ATOM 1432 CG PRO A 92 7.462 7.629 -41.181 1.00 0.00 C ATOM 1433 CD PRO A 92 6.382 8.618 -40.840 1.00 0.00 C ATOM 0 HA PRO A 92 8.899 9.834 -39.163 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.561 7.657 -40.755 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.545 7.456 -39.341 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.738 7.700 -42.233 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.124 6.607 -41.008 1.00 0.00 H new ATOM 0 HD2 PRO A 92 5.774 8.865 -41.710 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.706 8.228 -40.079 1.00 0.00 H new ATOM 1441 N CYS A 93 10.721 9.776 -41.177 1.00 0.00 N ATOM 1442 CA CYS A 93 11.687 10.356 -42.103 1.00 0.00 C ATOM 1443 C CYS A 93 11.744 9.554 -43.400 1.00 0.00 C ATOM 1444 O CYS A 93 11.771 8.324 -43.398 1.00 0.00 O ATOM 1445 CB CYS A 93 13.074 10.407 -41.460 1.00 0.00 C ATOM 1446 SG CYS A 93 14.365 11.116 -42.532 1.00 0.00 S ATOM 0 H CYS A 93 11.103 9.054 -40.566 1.00 0.00 H new ATOM 0 HA CYS A 93 11.366 11.371 -42.337 1.00 0.00 H new ATOM 0 HB2 CYS A 93 13.016 10.993 -40.543 1.00 0.00 H new ATOM 0 HB3 CYS A 93 13.368 9.397 -41.175 1.00 0.00 H new ATOM 1451 N PRO A 94 11.764 10.268 -44.536 1.00 0.00 N ATOM 1452 CA PRO A 94 11.820 9.645 -45.862 1.00 0.00 C ATOM 1453 C PRO A 94 13.167 8.986 -46.137 1.00 0.00 C ATOM 1454 O PRO A 94 13.404 8.465 -47.226 1.00 0.00 O ATOM 1455 CB PRO A 94 11.595 10.821 -46.816 1.00 0.00 C ATOM 1456 CG PRO A 94 12.051 12.018 -46.056 1.00 0.00 C ATOM 1457 CD PRO A 94 11.735 11.738 -44.613 1.00 0.00 C ATOM 0 HA PRO A 94 11.086 8.846 -45.968 1.00 0.00 H new ATOM 0 HB2 PRO A 94 12.163 10.697 -47.738 1.00 0.00 H new ATOM 0 HB3 PRO A 94 10.546 10.907 -47.098 1.00 0.00 H new ATOM 0 HG2 PRO A 94 13.119 12.186 -46.196 1.00 0.00 H new ATOM 0 HG3 PRO A 94 11.539 12.917 -46.400 1.00 0.00 H new ATOM 0 HD2 PRO A 94 12.469 12.190 -43.946 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.760 12.136 -44.331 1.00 0.00 H new ATOM 1465 N PHE A 95 14.048 9.013 -45.142 1.00 0.00 N ATOM 1466 CA PHE A 95 15.373 8.419 -45.277 1.00 0.00 C ATOM 1467 C PHE A 95 15.383 6.987 -44.750 1.00 0.00 C ATOM 1468 O PHE A 95 14.872 6.693 -43.669 1.00 0.00 O ATOM 1469 CB PHE A 95 16.410 9.258 -44.527 1.00 0.00 C ATOM 1470 CG PHE A 95 17.801 9.123 -45.078 1.00 0.00 C ATOM 1471 CD1 PHE A 95 18.515 7.948 -44.913 1.00 0.00 C ATOM 1472 CD2 PHE A 95 18.394 10.173 -45.760 1.00 0.00 C ATOM 1473 CE1 PHE A 95 19.795 7.821 -45.420 1.00 0.00 C ATOM 1474 CE2 PHE A 95 19.673 10.052 -46.269 1.00 0.00 C ATOM 1475 CZ PHE A 95 20.375 8.875 -46.097 1.00 0.00 C ATOM 0 H PHE A 95 13.868 9.440 -44.233 1.00 0.00 H new ATOM 0 HA PHE A 95 15.629 8.399 -46.336 1.00 0.00 H new ATOM 0 HB2 PHE A 95 16.113 10.306 -44.564 1.00 0.00 H new ATOM 0 HB3 PHE A 95 16.413 8.964 -43.477 1.00 0.00 H new ATOM 0 HD1 PHE A 95 18.067 7.121 -44.382 1.00 0.00 H new ATOM 0 HD2 PHE A 95 17.851 11.096 -45.895 1.00 0.00 H new ATOM 0 HE1 PHE A 95 20.340 6.898 -45.287 1.00 0.00 H new ATOM 0 HE2 PHE A 95 20.123 10.877 -46.801 1.00 0.00 H new ATOM 0 HZ PHE A 95 21.376 8.779 -46.491 1.00 0.00 H new ATOM 1485 N PRO A 96 15.978 6.074 -45.531 1.00 0.00 N ATOM 1486 CA PRO A 96 16.069 4.657 -45.165 1.00 0.00 C ATOM 1487 C PRO A 96 17.020 4.421 -43.997 1.00 0.00 C ATOM 1488 O PRO A 96 16.649 3.811 -42.995 1.00 0.00 O ATOM 1489 CB PRO A 96 16.609 3.996 -46.436 1.00 0.00 C ATOM 1490 CG PRO A 96 17.346 5.081 -47.143 1.00 0.00 C ATOM 1491 CD PRO A 96 16.608 6.354 -46.833 1.00 0.00 C ATOM 0 HA PRO A 96 15.109 4.258 -44.836 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.267 3.160 -46.199 1.00 0.00 H new ATOM 0 HB3 PRO A 96 15.800 3.601 -47.051 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.380 5.137 -46.802 1.00 0.00 H new ATOM 0 HG3 PRO A 96 17.374 4.898 -48.217 1.00 0.00 H new ATOM 0 HD2 PRO A 96 17.284 7.207 -46.777 1.00 0.00 H new ATOM 0 HD3 PRO A 96 15.866 6.585 -47.597 1.00 0.00 H new ATOM 1499 N GLY A 97 18.250 4.908 -44.133 1.00 0.00 N ATOM 1500 CA GLY A 97 19.235 4.740 -43.080 1.00 0.00 C ATOM 1501 C GLY A 97 19.071 5.754 -41.965 1.00 0.00 C ATOM 1502 O GLY A 97 20.056 6.239 -41.407 1.00 0.00 O ATOM 0 H GLY A 97 18.582 5.416 -44.953 1.00 0.00 H new ATOM 0 HA2 GLY A 97 19.153 3.734 -42.667 1.00 0.00 H new ATOM 0 HA3 GLY A 97 20.235 4.830 -43.504 1.00 0.00 H new ATOM 1506 N CYS A 98 17.824 6.077 -41.640 1.00 0.00 N ATOM 1507 CA CYS A 98 17.534 7.041 -40.586 1.00 0.00 C ATOM 1508 C CYS A 98 16.428 6.528 -39.669 1.00 0.00 C ATOM 1509 O CYS A 98 16.662 6.244 -38.495 1.00 0.00 O ATOM 1510 CB CYS A 98 17.125 8.385 -41.193 1.00 0.00 C ATOM 1511 SG CYS A 98 17.073 9.757 -39.996 1.00 0.00 S ATOM 0 H CYS A 98 16.998 5.685 -42.092 1.00 0.00 H new ATOM 0 HA CYS A 98 18.439 7.177 -39.994 1.00 0.00 H new ATOM 0 HB2 CYS A 98 17.824 8.639 -41.990 1.00 0.00 H new ATOM 0 HB3 CYS A 98 16.142 8.280 -41.652 1.00 0.00 H new ATOM 1516 N GLY A 99 15.221 6.411 -40.214 1.00 0.00 N ATOM 1517 CA GLY A 99 14.096 5.932 -39.432 1.00 0.00 C ATOM 1518 C GLY A 99 13.734 6.874 -38.300 1.00 0.00 C ATOM 1519 O GLY A 99 13.170 6.454 -37.289 1.00 0.00 O ATOM 0 H GLY A 99 15.002 6.640 -41.184 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.232 5.804 -40.084 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.334 4.951 -39.022 1.00 0.00 H new ATOM 1523 N LYS A 100 14.059 8.151 -38.469 1.00 0.00 N ATOM 1524 CA LYS A 100 13.765 9.156 -37.454 1.00 0.00 C ATOM 1525 C LYS A 100 12.386 9.769 -37.679 1.00 0.00 C ATOM 1526 O LYS A 100 11.926 9.885 -38.815 1.00 0.00 O ATOM 1527 CB LYS A 100 14.831 10.254 -37.470 1.00 0.00 C ATOM 1528 CG LYS A 100 14.438 11.496 -36.689 1.00 0.00 C ATOM 1529 CD LYS A 100 14.541 11.268 -35.191 1.00 0.00 C ATOM 1530 CE LYS A 100 14.912 12.547 -34.456 1.00 0.00 C ATOM 1531 NZ LYS A 100 16.388 12.718 -34.352 1.00 0.00 N ATOM 0 H LYS A 100 14.526 8.515 -39.300 1.00 0.00 H new ATOM 0 HA LYS A 100 13.771 8.666 -36.481 1.00 0.00 H new ATOM 0 HB2 LYS A 100 15.758 9.855 -37.058 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.036 10.535 -38.503 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.082 12.327 -36.977 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.417 11.780 -36.945 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.590 10.893 -34.813 1.00 0.00 H new ATOM 0 HD3 LYS A 100 15.289 10.501 -34.989 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.483 13.403 -34.977 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.477 12.531 -33.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.600 13.601 -33.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.795 11.914 -33.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.801 12.759 -35.306 1.00 0.00 H new ATOM 1545 N ILE A 101 11.733 10.160 -36.590 1.00 0.00 N ATOM 1546 CA ILE A 101 10.409 10.763 -36.669 1.00 0.00 C ATOM 1547 C ILE A 101 10.353 12.072 -35.889 1.00 0.00 C ATOM 1548 O ILE A 101 11.068 12.250 -34.903 1.00 0.00 O ATOM 1549 CB ILE A 101 9.324 9.811 -36.131 1.00 0.00 C ATOM 1550 CG1 ILE A 101 9.683 8.359 -36.452 1.00 0.00 C ATOM 1551 CG2 ILE A 101 7.967 10.169 -36.718 1.00 0.00 C ATOM 1552 CD1 ILE A 101 8.591 7.374 -36.097 1.00 0.00 C ATOM 0 H ILE A 101 12.100 10.070 -35.642 1.00 0.00 H new ATOM 0 HA ILE A 101 10.216 10.963 -37.723 1.00 0.00 H new ATOM 0 HB ILE A 101 9.270 9.921 -35.048 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.905 8.275 -37.516 1.00 0.00 H new ATOM 0 HG13 ILE A 101 10.592 8.091 -35.914 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.211 9.487 -36.328 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.710 11.192 -36.443 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.007 10.084 -37.804 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.914 6.365 -36.352 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.384 7.430 -35.028 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.687 7.617 -36.655 1.00 0.00 H new ATOM 1564 N PHE A 102 9.498 12.985 -36.338 1.00 0.00 N ATOM 1565 CA PHE A 102 9.348 14.279 -35.682 1.00 0.00 C ATOM 1566 C PHE A 102 7.874 14.632 -35.505 1.00 0.00 C ATOM 1567 O PHE A 102 7.058 14.399 -36.397 1.00 0.00 O ATOM 1568 CB PHE A 102 10.052 15.370 -36.491 1.00 0.00 C ATOM 1569 CG PHE A 102 11.460 15.018 -36.875 1.00 0.00 C ATOM 1570 CD1 PHE A 102 11.710 14.037 -37.822 1.00 0.00 C ATOM 1571 CD2 PHE A 102 12.535 15.667 -36.289 1.00 0.00 C ATOM 1572 CE1 PHE A 102 13.006 13.711 -38.176 1.00 0.00 C ATOM 1573 CE2 PHE A 102 13.833 15.345 -36.639 1.00 0.00 C ATOM 1574 CZ PHE A 102 14.068 14.366 -37.584 1.00 0.00 C ATOM 0 H PHE A 102 8.899 12.853 -37.153 1.00 0.00 H new ATOM 0 HA PHE A 102 9.808 14.214 -34.696 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.476 15.569 -37.395 1.00 0.00 H new ATOM 0 HB3 PHE A 102 10.062 16.292 -35.910 1.00 0.00 H new ATOM 0 HD1 PHE A 102 10.883 13.522 -38.288 1.00 0.00 H new ATOM 0 HD2 PHE A 102 12.357 16.434 -35.550 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.188 12.945 -38.915 1.00 0.00 H new ATOM 0 HE2 PHE A 102 14.662 15.858 -36.174 1.00 0.00 H new ATOM 0 HZ PHE A 102 15.081 14.113 -37.860 1.00 0.00 H new ATOM 1584 N ALA A 103 7.540 15.193 -34.348 1.00 0.00 N ATOM 1585 CA ALA A 103 6.166 15.579 -34.054 1.00 0.00 C ATOM 1586 C ALA A 103 5.783 16.855 -34.797 1.00 0.00 C ATOM 1587 O ALA A 103 4.601 17.161 -34.956 1.00 0.00 O ATOM 1588 CB ALA A 103 5.978 15.762 -32.556 1.00 0.00 C ATOM 0 H ALA A 103 8.203 15.390 -33.598 1.00 0.00 H new ATOM 0 HA ALA A 103 5.509 14.779 -34.396 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.947 16.050 -32.351 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.202 14.826 -32.044 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.651 16.541 -32.197 1.00 0.00 H new ATOM 1594 N ARG A 104 6.790 17.595 -35.250 1.00 0.00 N ATOM 1595 CA ARG A 104 6.558 18.839 -35.974 1.00 0.00 C ATOM 1596 C ARG A 104 6.951 18.695 -37.442 1.00 0.00 C ATOM 1597 O ARG A 104 8.035 18.207 -37.759 1.00 0.00 O ATOM 1598 CB ARG A 104 7.348 19.982 -35.334 1.00 0.00 C ATOM 1599 CG ARG A 104 6.774 21.358 -35.628 1.00 0.00 C ATOM 1600 CD ARG A 104 7.387 22.421 -34.729 1.00 0.00 C ATOM 1601 NE ARG A 104 6.636 22.589 -33.489 1.00 0.00 N ATOM 1602 CZ ARG A 104 5.422 23.127 -33.432 1.00 0.00 C ATOM 1603 NH1 ARG A 104 4.826 23.544 -34.540 1.00 0.00 N ATOM 1604 NH2 ARG A 104 4.802 23.246 -32.265 1.00 0.00 N ATOM 0 H ARG A 104 7.774 17.355 -35.128 1.00 0.00 H new ATOM 0 HA ARG A 104 5.494 19.068 -35.921 1.00 0.00 H new ATOM 0 HB2 ARG A 104 7.377 19.833 -34.255 1.00 0.00 H new ATOM 0 HB3 ARG A 104 8.378 19.944 -35.689 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.956 21.614 -36.672 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.693 21.340 -35.488 1.00 0.00 H new ATOM 0 HD2 ARG A 104 8.416 22.148 -34.495 1.00 0.00 H new ATOM 0 HD3 ARG A 104 7.422 23.371 -35.263 1.00 0.00 H new ATOM 0 HE ARG A 104 7.066 22.276 -32.619 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.299 23.452 -35.439 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.894 23.957 -34.494 1.00 0.00 H new ATOM 0 HH21 ARG A 104 5.257 22.924 -31.411 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.870 23.659 -32.222 1.00 0.00 H new ATOM 1618 N SER A 105 6.061 19.121 -38.332 1.00 0.00 N ATOM 1619 CA SER A 105 6.312 19.036 -39.766 1.00 0.00 C ATOM 1620 C SER A 105 7.540 19.854 -40.152 1.00 0.00 C ATOM 1621 O SER A 105 8.401 19.387 -40.897 1.00 0.00 O ATOM 1622 CB SER A 105 5.092 19.525 -40.549 1.00 0.00 C ATOM 1623 OG SER A 105 3.890 19.038 -39.978 1.00 0.00 O ATOM 0 H SER A 105 5.159 19.529 -38.085 1.00 0.00 H new ATOM 0 HA SER A 105 6.500 17.992 -40.016 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.077 20.615 -40.561 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.165 19.196 -41.585 1.00 0.00 H new ATOM 0 HG SER A 105 3.125 19.366 -40.496 1.00 0.00 H new ATOM 1629 N GLU A 106 7.613 21.079 -39.639 1.00 0.00 N ATOM 1630 CA GLU A 106 8.735 21.963 -39.930 1.00 0.00 C ATOM 1631 C GLU A 106 10.058 21.312 -39.534 1.00 0.00 C ATOM 1632 O GLU A 106 11.085 21.530 -40.175 1.00 0.00 O ATOM 1633 CB GLU A 106 8.569 23.294 -39.195 1.00 0.00 C ATOM 1634 CG GLU A 106 9.593 24.343 -39.595 1.00 0.00 C ATOM 1635 CD GLU A 106 9.054 25.756 -39.483 1.00 0.00 C ATOM 1636 OE1 GLU A 106 7.820 25.928 -39.562 1.00 0.00 O ATOM 1637 OE2 GLU A 106 9.867 26.690 -39.318 1.00 0.00 O ATOM 0 H GLU A 106 6.909 21.481 -39.020 1.00 0.00 H new ATOM 0 HA GLU A 106 8.748 22.149 -41.004 1.00 0.00 H new ATOM 0 HB2 GLU A 106 7.569 23.683 -39.387 1.00 0.00 H new ATOM 0 HB3 GLU A 106 8.642 23.118 -38.122 1.00 0.00 H new ATOM 0 HG2 GLU A 106 10.476 24.244 -38.963 1.00 0.00 H new ATOM 0 HG3 GLU A 106 9.913 24.160 -40.621 1.00 0.00 H new ATOM 1644 N ASN A 107 10.023 20.513 -38.473 1.00 0.00 N ATOM 1645 CA ASN A 107 11.218 19.832 -37.989 1.00 0.00 C ATOM 1646 C ASN A 107 11.631 18.715 -38.944 1.00 0.00 C ATOM 1647 O ASN A 107 12.817 18.416 -39.091 1.00 0.00 O ATOM 1648 CB ASN A 107 10.974 19.259 -36.592 1.00 0.00 C ATOM 1649 CG ASN A 107 11.325 20.245 -35.494 1.00 0.00 C ATOM 1650 OD1 ASN A 107 10.724 21.314 -35.390 1.00 0.00 O ATOM 1651 ND2 ASN A 107 12.302 19.888 -34.668 1.00 0.00 N ATOM 0 H ASN A 107 9.180 20.321 -37.932 1.00 0.00 H new ATOM 0 HA ASN A 107 12.026 20.561 -37.939 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.927 18.972 -36.498 1.00 0.00 H new ATOM 0 HB3 ASN A 107 11.566 18.352 -36.465 1.00 0.00 H new ATOM 0 HD21 ASN A 107 12.582 20.510 -33.910 1.00 0.00 H new ATOM 0 HD22 ASN A 107 12.773 18.992 -34.792 1.00 0.00 H new ATOM 1658 N LEU A 108 10.645 18.102 -39.590 1.00 0.00 N ATOM 1659 CA LEU A 108 10.905 17.019 -40.531 1.00 0.00 C ATOM 1660 C LEU A 108 11.511 17.554 -41.824 1.00 0.00 C ATOM 1661 O LEU A 108 12.546 17.071 -42.285 1.00 0.00 O ATOM 1662 CB LEU A 108 9.612 16.261 -40.837 1.00 0.00 C ATOM 1663 CG LEU A 108 9.752 15.025 -41.726 1.00 0.00 C ATOM 1664 CD1 LEU A 108 11.088 14.341 -41.483 1.00 0.00 C ATOM 1665 CD2 LEU A 108 8.603 14.058 -41.480 1.00 0.00 C ATOM 0 H LEU A 108 9.659 18.337 -39.479 1.00 0.00 H new ATOM 0 HA LEU A 108 11.620 16.336 -40.071 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.162 15.955 -39.893 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.915 16.950 -41.314 1.00 0.00 H new ATOM 0 HG LEU A 108 9.715 15.344 -42.767 1.00 0.00 H new ATOM 0 HD11 LEU A 108 11.170 13.464 -42.125 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.898 15.034 -41.711 1.00 0.00 H new ATOM 0 HD13 LEU A 108 11.155 14.035 -40.439 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.719 13.184 -42.121 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.608 13.745 -40.436 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.658 14.551 -41.706 1.00 0.00 H new ATOM 1677 N LYS A 109 10.862 18.557 -42.406 1.00 0.00 N ATOM 1678 CA LYS A 109 11.337 19.162 -43.644 1.00 0.00 C ATOM 1679 C LYS A 109 12.766 19.672 -43.486 1.00 0.00 C ATOM 1680 O LYS A 109 13.627 19.403 -44.325 1.00 0.00 O ATOM 1681 CB LYS A 109 10.417 20.312 -44.060 1.00 0.00 C ATOM 1682 CG LYS A 109 10.805 21.650 -43.455 1.00 0.00 C ATOM 1683 CD LYS A 109 9.872 22.760 -43.911 1.00 0.00 C ATOM 1684 CE LYS A 109 8.418 22.315 -43.876 1.00 0.00 C ATOM 1685 NZ LYS A 109 8.050 21.526 -45.085 1.00 0.00 N ATOM 0 H LYS A 109 10.004 18.968 -42.039 1.00 0.00 H new ATOM 0 HA LYS A 109 11.326 18.397 -44.421 1.00 0.00 H new ATOM 0 HB2 LYS A 109 10.425 20.398 -45.147 1.00 0.00 H new ATOM 0 HB3 LYS A 109 9.395 20.073 -43.767 1.00 0.00 H new ATOM 0 HG2 LYS A 109 10.783 21.579 -42.368 1.00 0.00 H new ATOM 0 HG3 LYS A 109 11.829 21.895 -43.738 1.00 0.00 H new ATOM 0 HD2 LYS A 109 10.002 23.632 -43.271 1.00 0.00 H new ATOM 0 HD3 LYS A 109 10.136 23.066 -44.923 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.243 21.714 -42.983 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.772 23.190 -43.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 7.204 21.941 -45.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.838 21.543 -45.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 7.850 20.543 -44.810 1.00 0.00 H new ATOM 1699 N ILE A 110 13.012 20.407 -42.407 1.00 0.00 N ATOM 1700 CA ILE A 110 14.338 20.951 -42.140 1.00 0.00 C ATOM 1701 C ILE A 110 15.352 19.837 -41.903 1.00 0.00 C ATOM 1702 O ILE A 110 16.516 19.950 -42.287 1.00 0.00 O ATOM 1703 CB ILE A 110 14.326 21.887 -40.917 1.00 0.00 C ATOM 1704 CG1 ILE A 110 13.496 23.138 -41.214 1.00 0.00 C ATOM 1705 CG2 ILE A 110 15.746 22.267 -40.527 1.00 0.00 C ATOM 1706 CD1 ILE A 110 13.210 23.978 -39.988 1.00 0.00 C ATOM 0 H ILE A 110 12.311 20.640 -41.704 1.00 0.00 H new ATOM 0 HA ILE A 110 14.628 21.522 -43.022 1.00 0.00 H new ATOM 0 HB ILE A 110 13.869 21.361 -40.079 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.023 23.748 -41.948 1.00 0.00 H new ATOM 0 HG13 ILE A 110 12.551 22.838 -41.668 1.00 0.00 H new ATOM 0 HG21 ILE A 110 15.721 22.929 -39.661 1.00 0.00 H new ATOM 0 HG22 ILE A 110 16.309 21.367 -40.280 1.00 0.00 H new ATOM 0 HG23 ILE A 110 16.228 22.778 -41.360 1.00 0.00 H new ATOM 0 HD11 ILE A 110 12.618 24.848 -40.273 1.00 0.00 H new ATOM 0 HD12 ILE A 110 12.656 23.384 -39.261 1.00 0.00 H new ATOM 0 HD13 ILE A 110 14.150 24.308 -39.546 1.00 0.00 H new ATOM 1718 N HIS A 111 14.901 18.759 -41.268 1.00 0.00 N ATOM 1719 CA HIS A 111 15.769 17.622 -40.982 1.00 0.00 C ATOM 1720 C HIS A 111 15.949 16.750 -42.221 1.00 0.00 C ATOM 1721 O HIS A 111 16.916 15.995 -42.327 1.00 0.00 O ATOM 1722 CB HIS A 111 15.191 16.788 -39.837 1.00 0.00 C ATOM 1723 CG HIS A 111 15.687 15.375 -39.816 1.00 0.00 C ATOM 1724 ND1 HIS A 111 16.838 14.991 -39.161 1.00 0.00 N ATOM 1725 CD2 HIS A 111 15.180 14.251 -40.374 1.00 0.00 C ATOM 1726 CE1 HIS A 111 17.018 13.691 -39.318 1.00 0.00 C ATOM 1727 NE2 HIS A 111 16.025 13.218 -40.050 1.00 0.00 N ATOM 0 H HIS A 111 13.941 18.649 -40.942 1.00 0.00 H new ATOM 0 HA HIS A 111 16.745 18.007 -40.686 1.00 0.00 H new ATOM 0 HB2 HIS A 111 15.439 17.266 -38.889 1.00 0.00 H new ATOM 0 HB3 HIS A 111 14.104 16.782 -39.916 1.00 0.00 H new ATOM 0 HD1 HIS A 111 17.454 15.613 -38.637 1.00 0.00 H new ATOM 0 HD2 HIS A 111 14.278 14.180 -40.964 1.00 0.00 H new ATOM 0 HE1 HIS A 111 17.837 13.114 -38.916 1.00 0.00 H new ATOM 1735 N LYS A 112 15.012 16.859 -43.156 1.00 0.00 N ATOM 1736 CA LYS A 112 15.066 16.082 -44.389 1.00 0.00 C ATOM 1737 C LYS A 112 16.073 16.681 -45.366 1.00 0.00 C ATOM 1738 O LYS A 112 16.668 15.968 -46.174 1.00 0.00 O ATOM 1739 CB LYS A 112 13.682 16.022 -45.040 1.00 0.00 C ATOM 1740 CG LYS A 112 12.807 14.902 -44.504 1.00 0.00 C ATOM 1741 CD LYS A 112 11.333 15.264 -44.575 1.00 0.00 C ATOM 1742 CE LYS A 112 10.907 15.594 -45.997 1.00 0.00 C ATOM 1743 NZ LYS A 112 9.814 16.605 -46.029 1.00 0.00 N ATOM 0 H LYS A 112 14.205 17.479 -43.084 1.00 0.00 H new ATOM 0 HA LYS A 112 15.387 15.071 -44.138 1.00 0.00 H new ATOM 0 HB2 LYS A 112 13.175 16.974 -44.885 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.801 15.896 -46.116 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.987 13.992 -45.077 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.081 14.688 -43.471 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.735 14.434 -44.199 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.136 16.118 -43.928 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.765 15.969 -46.555 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.575 14.684 -46.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.210 16.438 -46.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.242 16.526 -45.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.225 17.559 -46.086 1.00 0.00 H new ATOM 1757 N ARG A 113 16.260 17.994 -45.285 1.00 0.00 N ATOM 1758 CA ARG A 113 17.195 18.688 -46.162 1.00 0.00 C ATOM 1759 C ARG A 113 18.636 18.441 -45.724 1.00 0.00 C ATOM 1760 O ARG A 113 19.558 18.468 -46.540 1.00 0.00 O ATOM 1761 CB ARG A 113 16.903 20.190 -46.168 1.00 0.00 C ATOM 1762 CG ARG A 113 16.758 20.788 -44.778 1.00 0.00 C ATOM 1763 CD ARG A 113 16.785 22.308 -44.820 1.00 0.00 C ATOM 1764 NE ARG A 113 18.148 22.830 -44.865 1.00 0.00 N ATOM 1765 CZ ARG A 113 18.437 24.119 -45.001 1.00 0.00 C ATOM 1766 NH1 ARG A 113 17.463 25.013 -45.104 1.00 0.00 N ATOM 1767 NH2 ARG A 113 19.703 24.517 -45.033 1.00 0.00 N ATOM 0 H ARG A 113 15.776 18.599 -44.621 1.00 0.00 H new ATOM 0 HA ARG A 113 17.067 18.296 -47.171 1.00 0.00 H new ATOM 0 HB2 ARG A 113 17.706 20.706 -46.694 1.00 0.00 H new ATOM 0 HB3 ARG A 113 15.987 20.371 -46.730 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.822 20.452 -44.332 1.00 0.00 H new ATOM 0 HG3 ARG A 113 17.564 20.426 -44.139 1.00 0.00 H new ATOM 0 HD2 ARG A 113 16.234 22.656 -45.694 1.00 0.00 H new ATOM 0 HD3 ARG A 113 16.274 22.704 -43.942 1.00 0.00 H new ATOM 0 HE ARG A 113 18.920 22.168 -44.788 1.00 0.00 H new ATOM 0 HH11 ARG A 113 16.489 24.711 -45.079 1.00 0.00 H new ATOM 0 HH12 ARG A 113 17.688 26.002 -45.208 1.00 0.00 H new ATOM 0 HH21 ARG A 113 20.455 23.832 -44.953 1.00 0.00 H new ATOM 0 HH22 ARG A 113 19.924 25.507 -45.138 1.00 0.00 H new ATOM 1781 N THR A 114 18.823 18.201 -44.430 1.00 0.00 N ATOM 1782 CA THR A 114 20.151 17.951 -43.883 1.00 0.00 C ATOM 1783 C THR A 114 20.679 16.590 -44.322 1.00 0.00 C ATOM 1784 O THR A 114 21.834 16.249 -44.066 1.00 0.00 O ATOM 1785 CB THR A 114 20.146 18.016 -42.344 1.00 0.00 C ATOM 1786 OG1 THR A 114 21.490 18.054 -41.851 1.00 0.00 O ATOM 1787 CG2 THR A 114 19.419 16.816 -41.755 1.00 0.00 C ATOM 0 H THR A 114 18.071 18.174 -43.741 1.00 0.00 H new ATOM 0 HA THR A 114 20.805 18.733 -44.270 1.00 0.00 H new ATOM 0 HB THR A 114 19.623 18.923 -42.042 1.00 0.00 H new ATOM 0 HG1 THR A 114 22.081 17.583 -42.475 1.00 0.00 H new ATOM 0 HG21 THR A 114 19.428 16.883 -40.667 1.00 0.00 H new ATOM 0 HG22 THR A 114 18.388 16.805 -42.109 1.00 0.00 H new ATOM 0 HG23 THR A 114 19.919 15.899 -42.066 1.00 0.00 H new ATOM 1795 N HIS A 115 19.827 15.816 -44.986 1.00 0.00 N ATOM 1796 CA HIS A 115 20.209 14.491 -45.462 1.00 0.00 C ATOM 1797 C HIS A 115 20.915 14.582 -46.811 1.00 0.00 C ATOM 1798 O HIS A 115 21.152 13.568 -47.470 1.00 0.00 O ATOM 1799 CB HIS A 115 18.977 13.593 -45.577 1.00 0.00 C ATOM 1800 CG HIS A 115 18.604 12.920 -44.292 1.00 0.00 C ATOM 1801 ND1 HIS A 115 19.496 12.182 -43.543 1.00 0.00 N ATOM 1802 CD2 HIS A 115 17.428 12.878 -43.623 1.00 0.00 C ATOM 1803 CE1 HIS A 115 18.884 11.714 -42.470 1.00 0.00 C ATOM 1804 NE2 HIS A 115 17.628 12.122 -42.495 1.00 0.00 N ATOM 0 H HIS A 115 18.868 16.083 -45.207 1.00 0.00 H new ATOM 0 HA HIS A 115 20.899 14.057 -44.739 1.00 0.00 H new ATOM 0 HB2 HIS A 115 18.133 14.190 -45.923 1.00 0.00 H new ATOM 0 HB3 HIS A 115 19.162 12.832 -46.336 1.00 0.00 H new ATOM 0 HD1 HIS A 115 20.475 12.022 -43.780 1.00 0.00 H new ATOM 0 HD2 HIS A 115 16.504 13.351 -43.921 1.00 0.00 H new ATOM 0 HE1 HIS A 115 19.334 11.102 -41.703 1.00 0.00 H new ATOM 1812 N THR A 116 21.249 15.802 -47.219 1.00 0.00 N ATOM 1813 CA THR A 116 21.926 16.025 -48.490 1.00 0.00 C ATOM 1814 C THR A 116 23.397 16.367 -48.277 1.00 0.00 C ATOM 1815 O THR A 116 24.160 16.493 -49.234 1.00 0.00 O ATOM 1816 CB THR A 116 21.258 17.158 -49.291 1.00 0.00 C ATOM 1817 OG1 THR A 116 21.701 17.123 -50.652 1.00 0.00 O ATOM 1818 CG2 THR A 116 21.580 18.515 -48.682 1.00 0.00 C ATOM 0 H THR A 116 21.061 16.652 -46.687 1.00 0.00 H new ATOM 0 HA THR A 116 21.850 15.096 -49.056 1.00 0.00 H new ATOM 0 HB THR A 116 20.179 17.009 -49.257 1.00 0.00 H new ATOM 0 HG1 THR A 116 22.608 16.755 -50.691 1.00 0.00 H new ATOM 0 HG21 THR A 116 21.097 19.299 -49.265 1.00 0.00 H new ATOM 0 HG22 THR A 116 21.215 18.549 -47.656 1.00 0.00 H new ATOM 0 HG23 THR A 116 22.659 18.670 -48.689 1.00 0.00 H new ATOM 1826 N GLY A 117 23.788 16.517 -47.015 1.00 0.00 N ATOM 1827 CA GLY A 117 25.167 16.843 -46.700 1.00 0.00 C ATOM 1828 C GLY A 117 25.972 15.625 -46.293 1.00 0.00 C ATOM 1829 O GLY A 117 27.067 15.398 -46.806 1.00 0.00 O ATOM 0 H GLY A 117 23.175 16.419 -46.206 1.00 0.00 H new ATOM 0 HA2 GLY A 117 25.634 17.310 -47.567 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.189 17.575 -45.893 1.00 0.00 H new ATOM 1833 N GLU A 118 25.429 14.841 -45.366 1.00 0.00 N ATOM 1834 CA GLU A 118 26.107 13.642 -44.889 1.00 0.00 C ATOM 1835 C GLU A 118 25.748 12.435 -45.751 1.00 0.00 C ATOM 1836 O GLU A 118 24.575 12.182 -46.029 1.00 0.00 O ATOM 1837 CB GLU A 118 25.738 13.367 -43.430 1.00 0.00 C ATOM 1838 CG GLU A 118 26.461 12.171 -42.834 1.00 0.00 C ATOM 1839 CD GLU A 118 26.114 11.946 -41.375 1.00 0.00 C ATOM 1840 OE1 GLU A 118 26.060 12.938 -40.619 1.00 0.00 O ATOM 1841 OE2 GLU A 118 25.896 10.778 -40.990 1.00 0.00 O ATOM 0 H GLU A 118 24.523 15.015 -44.931 1.00 0.00 H new ATOM 0 HA GLU A 118 27.182 13.811 -44.959 1.00 0.00 H new ATOM 0 HB2 GLU A 118 25.964 14.251 -42.834 1.00 0.00 H new ATOM 0 HB3 GLU A 118 24.663 13.202 -43.361 1.00 0.00 H new ATOM 0 HG2 GLU A 118 26.209 11.278 -43.405 1.00 0.00 H new ATOM 0 HG3 GLU A 118 27.537 12.317 -42.929 1.00 0.00 H new ATOM 1848 N LYS A 119 26.766 11.693 -46.174 1.00 0.00 N ATOM 1849 CA LYS A 119 26.561 10.512 -47.004 1.00 0.00 C ATOM 1850 C LYS A 119 26.635 9.239 -46.167 1.00 0.00 C ATOM 1851 O LYS A 119 27.419 9.133 -45.223 1.00 0.00 O ATOM 1852 CB LYS A 119 27.605 10.462 -48.122 1.00 0.00 C ATOM 1853 CG LYS A 119 28.010 11.831 -48.638 1.00 0.00 C ATOM 1854 CD LYS A 119 26.866 12.512 -49.370 1.00 0.00 C ATOM 1855 CE LYS A 119 26.206 11.574 -50.369 1.00 0.00 C ATOM 1856 NZ LYS A 119 25.271 12.296 -51.275 1.00 0.00 N ATOM 0 H LYS A 119 27.743 11.889 -45.955 1.00 0.00 H new ATOM 0 HA LYS A 119 25.567 10.577 -47.446 1.00 0.00 H new ATOM 0 HB2 LYS A 119 28.492 9.944 -47.757 1.00 0.00 H new ATOM 0 HB3 LYS A 119 27.210 9.873 -48.950 1.00 0.00 H new ATOM 0 HG2 LYS A 119 28.332 12.455 -47.804 1.00 0.00 H new ATOM 0 HG3 LYS A 119 28.863 11.730 -49.309 1.00 0.00 H new ATOM 0 HD2 LYS A 119 26.125 12.857 -48.649 1.00 0.00 H new ATOM 0 HD3 LYS A 119 27.239 13.394 -49.890 1.00 0.00 H new ATOM 0 HE2 LYS A 119 26.974 11.076 -50.961 1.00 0.00 H new ATOM 0 HE3 LYS A 119 25.663 10.796 -49.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 24.842 11.621 -51.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 24.524 12.750 -50.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 25.793 13.022 -51.806 1.00 0.00 H new ATOM 1870 N PRO A 120 25.802 8.249 -46.519 1.00 0.00 N ATOM 1871 CA PRO A 120 25.756 6.965 -45.814 1.00 0.00 C ATOM 1872 C PRO A 120 27.008 6.128 -46.052 1.00 0.00 C ATOM 1873 O PRO A 120 27.625 5.635 -45.107 1.00 0.00 O ATOM 1874 CB PRO A 120 24.529 6.274 -46.415 1.00 0.00 C ATOM 1875 CG PRO A 120 24.375 6.883 -47.766 1.00 0.00 C ATOM 1876 CD PRO A 120 24.841 8.307 -47.634 1.00 0.00 C ATOM 0 HA PRO A 120 25.702 7.095 -44.733 1.00 0.00 H new ATOM 0 HB2 PRO A 120 24.675 5.196 -46.481 1.00 0.00 H new ATOM 0 HB3 PRO A 120 23.642 6.439 -45.803 1.00 0.00 H new ATOM 0 HG2 PRO A 120 24.968 6.345 -48.506 1.00 0.00 H new ATOM 0 HG3 PRO A 120 23.337 6.841 -48.097 1.00 0.00 H new ATOM 0 HD2 PRO A 120 25.310 8.663 -48.551 1.00 0.00 H new ATOM 0 HD3 PRO A 120 24.013 8.982 -47.417 1.00 0.00 H new ATOM 1884 N PHE A 121 27.378 5.971 -47.318 1.00 0.00 N ATOM 1885 CA PHE A 121 28.557 5.193 -47.680 1.00 0.00 C ATOM 1886 C PHE A 121 29.835 5.975 -47.390 1.00 0.00 C ATOM 1887 O PHE A 121 30.100 7.006 -48.008 1.00 0.00 O ATOM 1888 CB PHE A 121 28.506 4.808 -49.160 1.00 0.00 C ATOM 1889 CG PHE A 121 27.557 3.681 -49.453 1.00 0.00 C ATOM 1890 CD1 PHE A 121 26.267 3.695 -48.949 1.00 0.00 C ATOM 1891 CD2 PHE A 121 27.955 2.609 -50.235 1.00 0.00 C ATOM 1892 CE1 PHE A 121 25.392 2.660 -49.217 1.00 0.00 C ATOM 1893 CE2 PHE A 121 27.084 1.570 -50.507 1.00 0.00 C ATOM 1894 CZ PHE A 121 25.800 1.597 -49.998 1.00 0.00 C ATOM 0 H PHE A 121 26.878 6.372 -48.111 1.00 0.00 H new ATOM 0 HA PHE A 121 28.562 4.286 -47.076 1.00 0.00 H new ATOM 0 HB2 PHE A 121 28.213 5.680 -49.744 1.00 0.00 H new ATOM 0 HB3 PHE A 121 29.506 4.525 -49.488 1.00 0.00 H new ATOM 0 HD1 PHE A 121 25.941 4.525 -48.339 1.00 0.00 H new ATOM 0 HD2 PHE A 121 28.957 2.584 -50.637 1.00 0.00 H new ATOM 0 HE1 PHE A 121 24.390 2.682 -48.816 1.00 0.00 H new ATOM 0 HE2 PHE A 121 27.407 0.739 -51.116 1.00 0.00 H new ATOM 0 HZ PHE A 121 25.117 0.788 -50.211 1.00 0.00 H new ATOM 1904 N LYS A 122 30.624 5.477 -46.444 1.00 0.00 N ATOM 1905 CA LYS A 122 31.875 6.127 -46.070 1.00 0.00 C ATOM 1906 C LYS A 122 33.069 5.231 -46.386 1.00 0.00 C ATOM 1907 O LYS A 122 33.062 4.039 -46.080 1.00 0.00 O ATOM 1908 CB LYS A 122 31.867 6.477 -44.581 1.00 0.00 C ATOM 1909 CG LYS A 122 33.253 6.534 -43.962 1.00 0.00 C ATOM 1910 CD LYS A 122 33.183 6.723 -42.456 1.00 0.00 C ATOM 1911 CE LYS A 122 33.138 8.196 -42.080 1.00 0.00 C ATOM 1912 NZ LYS A 122 31.764 8.757 -42.202 1.00 0.00 N ATOM 0 H LYS A 122 30.419 4.625 -45.922 1.00 0.00 H new ATOM 0 HA LYS A 122 31.967 7.044 -46.652 1.00 0.00 H new ATOM 0 HB2 LYS A 122 31.378 7.442 -44.446 1.00 0.00 H new ATOM 0 HB3 LYS A 122 31.269 5.739 -44.046 1.00 0.00 H new ATOM 0 HG2 LYS A 122 33.792 5.615 -44.190 1.00 0.00 H new ATOM 0 HG3 LYS A 122 33.818 7.353 -44.407 1.00 0.00 H new ATOM 0 HD2 LYS A 122 32.298 6.220 -42.066 1.00 0.00 H new ATOM 0 HD3 LYS A 122 34.049 6.254 -41.989 1.00 0.00 H new ATOM 0 HE2 LYS A 122 33.492 8.321 -41.057 1.00 0.00 H new ATOM 0 HE3 LYS A 122 33.817 8.756 -42.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 31.628 9.501 -41.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 31.637 9.162 -43.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 31.066 8.001 -42.052 1.00 0.00 H new ATOM 1926 N CYS A 123 34.093 5.814 -47.000 1.00 0.00 N ATOM 1927 CA CYS A 123 35.295 5.070 -47.357 1.00 0.00 C ATOM 1928 C CYS A 123 35.624 4.025 -46.294 1.00 0.00 C ATOM 1929 O CYS A 123 35.741 4.345 -45.111 1.00 0.00 O ATOM 1930 CB CYS A 123 36.478 6.024 -47.533 1.00 0.00 C ATOM 1931 SG CYS A 123 37.980 5.233 -48.193 1.00 0.00 S ATOM 0 H CYS A 123 34.114 6.800 -47.261 1.00 0.00 H new ATOM 0 HA CYS A 123 35.107 4.557 -48.300 1.00 0.00 H new ATOM 0 HB2 CYS A 123 36.182 6.832 -48.202 1.00 0.00 H new ATOM 0 HB3 CYS A 123 36.712 6.477 -46.570 1.00 0.00 H new ATOM 1936 N GLU A 124 35.771 2.776 -46.725 1.00 0.00 N ATOM 1937 CA GLU A 124 36.086 1.685 -45.810 1.00 0.00 C ATOM 1938 C GLU A 124 37.574 1.672 -45.470 1.00 0.00 C ATOM 1939 O GLU A 124 38.023 0.892 -44.630 1.00 0.00 O ATOM 1940 CB GLU A 124 35.679 0.343 -46.422 1.00 0.00 C ATOM 1941 CG GLU A 124 34.194 0.237 -46.723 1.00 0.00 C ATOM 1942 CD GLU A 124 33.693 -1.194 -46.693 1.00 0.00 C ATOM 1943 OE1 GLU A 124 33.806 -1.839 -45.629 1.00 0.00 O ATOM 1944 OE2 GLU A 124 33.189 -1.669 -47.732 1.00 0.00 O ATOM 0 H GLU A 124 35.677 2.495 -47.701 1.00 0.00 H new ATOM 0 HA GLU A 124 35.523 1.842 -44.890 1.00 0.00 H new ATOM 0 HB2 GLU A 124 36.240 0.189 -47.344 1.00 0.00 H new ATOM 0 HB3 GLU A 124 35.961 -0.459 -45.739 1.00 0.00 H new ATOM 0 HG2 GLU A 124 33.637 0.828 -45.996 1.00 0.00 H new ATOM 0 HG3 GLU A 124 33.994 0.667 -47.704 1.00 0.00 H new ATOM 1951 N PHE A 125 38.333 2.541 -46.130 1.00 0.00 N ATOM 1952 CA PHE A 125 39.770 2.628 -45.900 1.00 0.00 C ATOM 1953 C PHE A 125 40.067 3.276 -44.551 1.00 0.00 C ATOM 1954 O PHE A 125 39.645 4.400 -44.285 1.00 0.00 O ATOM 1955 CB PHE A 125 40.439 3.428 -47.020 1.00 0.00 C ATOM 1956 CG PHE A 125 41.858 3.012 -47.288 1.00 0.00 C ATOM 1957 CD1 PHE A 125 42.132 1.919 -48.094 1.00 0.00 C ATOM 1958 CD2 PHE A 125 42.916 3.715 -46.736 1.00 0.00 C ATOM 1959 CE1 PHE A 125 43.436 1.534 -48.342 1.00 0.00 C ATOM 1960 CE2 PHE A 125 44.222 3.335 -46.980 1.00 0.00 C ATOM 1961 CZ PHE A 125 44.483 2.243 -47.785 1.00 0.00 C ATOM 0 H PHE A 125 37.977 3.194 -46.828 1.00 0.00 H new ATOM 0 HA PHE A 125 40.174 1.615 -45.894 1.00 0.00 H new ATOM 0 HB2 PHE A 125 39.857 3.315 -47.934 1.00 0.00 H new ATOM 0 HB3 PHE A 125 40.422 4.486 -46.760 1.00 0.00 H new ATOM 0 HD1 PHE A 125 41.318 1.362 -48.533 1.00 0.00 H new ATOM 0 HD2 PHE A 125 42.718 4.570 -46.107 1.00 0.00 H new ATOM 0 HE1 PHE A 125 43.637 0.679 -48.971 1.00 0.00 H new ATOM 0 HE2 PHE A 125 45.038 3.891 -46.542 1.00 0.00 H new ATOM 0 HZ PHE A 125 45.503 1.944 -47.978 1.00 0.00 H new ATOM 1971 N GLU A 126 40.796 2.556 -43.703 1.00 0.00 N ATOM 1972 CA GLU A 126 41.147 3.060 -42.381 1.00 0.00 C ATOM 1973 C GLU A 126 42.060 4.279 -42.488 1.00 0.00 C ATOM 1974 O GLU A 126 43.023 4.281 -43.253 1.00 0.00 O ATOM 1975 CB GLU A 126 41.833 1.966 -41.560 1.00 0.00 C ATOM 1976 CG GLU A 126 42.725 2.505 -40.453 1.00 0.00 C ATOM 1977 CD GLU A 126 42.045 3.579 -39.627 1.00 0.00 C ATOM 1978 OE1 GLU A 126 40.857 3.403 -39.285 1.00 0.00 O ATOM 1979 OE2 GLU A 126 42.701 4.597 -39.322 1.00 0.00 O ATOM 0 H GLU A 126 41.154 1.623 -43.908 1.00 0.00 H new ATOM 0 HA GLU A 126 40.227 3.359 -41.878 1.00 0.00 H new ATOM 0 HB2 GLU A 126 41.071 1.322 -41.120 1.00 0.00 H new ATOM 0 HB3 GLU A 126 42.431 1.344 -42.226 1.00 0.00 H new ATOM 0 HG2 GLU A 126 43.024 1.685 -39.800 1.00 0.00 H new ATOM 0 HG3 GLU A 126 43.636 2.912 -40.891 1.00 0.00 H new ATOM 1986 N GLY A 127 41.747 5.314 -41.714 1.00 0.00 N ATOM 1987 CA GLY A 127 42.547 6.525 -41.737 1.00 0.00 C ATOM 1988 C GLY A 127 42.147 7.463 -42.858 1.00 0.00 C ATOM 1989 O GLY A 127 42.859 8.422 -43.159 1.00 0.00 O ATOM 0 H GLY A 127 40.955 5.336 -41.072 1.00 0.00 H new ATOM 0 HA2 GLY A 127 42.447 7.041 -40.782 1.00 0.00 H new ATOM 0 HA3 GLY A 127 43.599 6.260 -41.847 1.00 0.00 H new ATOM 1993 N CYS A 128 41.006 7.187 -43.480 1.00 0.00 N ATOM 1994 CA CYS A 128 40.512 8.011 -44.576 1.00 0.00 C ATOM 1995 C CYS A 128 39.165 8.635 -44.224 1.00 0.00 C ATOM 1996 O CYS A 128 38.345 8.022 -43.539 1.00 0.00 O ATOM 1997 CB CYS A 128 40.382 7.176 -45.852 1.00 0.00 C ATOM 1998 SG CYS A 128 40.406 8.156 -47.387 1.00 0.00 S ATOM 0 H CYS A 128 40.405 6.397 -43.243 1.00 0.00 H new ATOM 0 HA CYS A 128 41.230 8.813 -44.746 1.00 0.00 H new ATOM 0 HB2 CYS A 128 41.195 6.451 -45.884 1.00 0.00 H new ATOM 0 HB3 CYS A 128 39.452 6.610 -45.810 1.00 0.00 H new ATOM 2003 N ASP A 129 38.943 9.857 -44.696 1.00 0.00 N ATOM 2004 CA ASP A 129 37.695 10.564 -44.433 1.00 0.00 C ATOM 2005 C ASP A 129 37.009 10.959 -45.737 1.00 0.00 C ATOM 2006 O ASP A 129 37.466 11.858 -46.443 1.00 0.00 O ATOM 2007 CB ASP A 129 37.959 11.808 -43.583 1.00 0.00 C ATOM 2008 CG ASP A 129 38.949 11.547 -42.465 1.00 0.00 C ATOM 2009 OD1 ASP A 129 38.520 11.077 -41.391 1.00 0.00 O ATOM 2010 OD2 ASP A 129 40.153 11.812 -42.665 1.00 0.00 O ATOM 0 H ASP A 129 39.611 10.379 -45.263 1.00 0.00 H new ATOM 0 HA ASP A 129 37.034 9.893 -43.885 1.00 0.00 H new ATOM 0 HB2 ASP A 129 38.338 12.606 -44.221 1.00 0.00 H new ATOM 0 HB3 ASP A 129 37.019 12.159 -43.157 1.00 0.00 H new ATOM 2015 N ARG A 130 35.910 10.280 -46.050 1.00 0.00 N ATOM 2016 CA ARG A 130 35.162 10.558 -47.270 1.00 0.00 C ATOM 2017 C ARG A 130 33.667 10.345 -47.052 1.00 0.00 C ATOM 2018 O ARG A 130 33.234 9.984 -45.957 1.00 0.00 O ATOM 2019 CB ARG A 130 35.654 9.666 -48.411 1.00 0.00 C ATOM 2020 CG ARG A 130 37.169 9.602 -48.523 1.00 0.00 C ATOM 2021 CD ARG A 130 37.736 10.872 -49.138 1.00 0.00 C ATOM 2022 NE ARG A 130 39.152 11.045 -48.828 1.00 0.00 N ATOM 2023 CZ ARG A 130 39.801 12.195 -48.971 1.00 0.00 C ATOM 2024 NH1 ARG A 130 39.163 13.269 -49.415 1.00 0.00 N ATOM 2025 NH2 ARG A 130 41.090 12.273 -48.668 1.00 0.00 N ATOM 0 H ARG A 130 35.518 9.534 -45.476 1.00 0.00 H new ATOM 0 HA ARG A 130 35.328 11.602 -47.537 1.00 0.00 H new ATOM 0 HB2 ARG A 130 35.266 8.658 -48.266 1.00 0.00 H new ATOM 0 HB3 ARG A 130 35.244 10.034 -49.351 1.00 0.00 H new ATOM 0 HG2 ARG A 130 37.602 9.450 -47.534 1.00 0.00 H new ATOM 0 HG3 ARG A 130 37.454 8.743 -49.131 1.00 0.00 H new ATOM 0 HD2 ARG A 130 37.603 10.842 -50.219 1.00 0.00 H new ATOM 0 HD3 ARG A 130 37.177 11.733 -48.772 1.00 0.00 H new ATOM 0 HE ARG A 130 39.672 10.238 -48.483 1.00 0.00 H new ATOM 0 HH11 ARG A 130 38.171 13.213 -49.648 1.00 0.00 H new ATOM 0 HH12 ARG A 130 39.664 14.151 -49.524 1.00 0.00 H new ATOM 0 HH21 ARG A 130 41.584 11.449 -48.325 1.00 0.00 H new ATOM 0 HH22 ARG A 130 41.587 13.157 -48.778 1.00 0.00 H new ATOM 2039 N ARG A 131 32.883 10.571 -48.101 1.00 0.00 N ATOM 2040 CA ARG A 131 31.436 10.405 -48.024 1.00 0.00 C ATOM 2041 C ARG A 131 30.860 10.019 -49.383 1.00 0.00 C ATOM 2042 O ARG A 131 31.252 10.567 -50.413 1.00 0.00 O ATOM 2043 CB ARG A 131 30.780 11.694 -47.527 1.00 0.00 C ATOM 2044 CG ARG A 131 31.652 12.493 -46.572 1.00 0.00 C ATOM 2045 CD ARG A 131 31.069 13.872 -46.307 1.00 0.00 C ATOM 2046 NE ARG A 131 30.155 13.871 -45.168 1.00 0.00 N ATOM 2047 CZ ARG A 131 30.559 13.856 -43.902 1.00 0.00 C ATOM 2048 NH1 ARG A 131 31.853 13.842 -43.615 1.00 0.00 N ATOM 2049 NH2 ARG A 131 29.666 13.855 -42.920 1.00 0.00 N ATOM 0 H ARG A 131 33.225 10.870 -49.014 1.00 0.00 H new ATOM 0 HA ARG A 131 31.224 9.602 -47.318 1.00 0.00 H new ATOM 0 HB2 ARG A 131 30.529 12.318 -48.385 1.00 0.00 H new ATOM 0 HB3 ARG A 131 29.843 11.446 -47.029 1.00 0.00 H new ATOM 0 HG2 ARG A 131 31.753 11.952 -45.631 1.00 0.00 H new ATOM 0 HG3 ARG A 131 32.653 12.594 -46.990 1.00 0.00 H new ATOM 0 HD2 ARG A 131 31.878 14.578 -46.121 1.00 0.00 H new ATOM 0 HD3 ARG A 131 30.541 14.219 -47.195 1.00 0.00 H new ATOM 0 HE ARG A 131 29.152 13.882 -45.354 1.00 0.00 H new ATOM 0 HH11 ARG A 131 32.542 13.843 -44.367 1.00 0.00 H new ATOM 0 HH12 ARG A 131 32.160 13.831 -42.642 1.00 0.00 H new ATOM 0 HH21 ARG A 131 28.669 13.866 -43.137 1.00 0.00 H new ATOM 0 HH22 ARG A 131 29.976 13.843 -41.948 1.00 0.00 H new ATOM 2063 N PHE A 132 29.928 9.072 -49.377 1.00 0.00 N ATOM 2064 CA PHE A 132 29.298 8.612 -50.609 1.00 0.00 C ATOM 2065 C PHE A 132 27.897 8.072 -50.336 1.00 0.00 C ATOM 2066 O PHE A 132 27.565 7.724 -49.203 1.00 0.00 O ATOM 2067 CB PHE A 132 30.154 7.529 -51.270 1.00 0.00 C ATOM 2068 CG PHE A 132 31.622 7.847 -51.279 1.00 0.00 C ATOM 2069 CD1 PHE A 132 32.161 8.663 -52.260 1.00 0.00 C ATOM 2070 CD2 PHE A 132 32.462 7.331 -50.305 1.00 0.00 C ATOM 2071 CE1 PHE A 132 33.512 8.956 -52.271 1.00 0.00 C ATOM 2072 CE2 PHE A 132 33.813 7.621 -50.311 1.00 0.00 C ATOM 2073 CZ PHE A 132 34.339 8.436 -51.294 1.00 0.00 C ATOM 0 H PHE A 132 29.592 8.608 -48.533 1.00 0.00 H new ATOM 0 HA PHE A 132 29.214 9.463 -51.285 1.00 0.00 H new ATOM 0 HB2 PHE A 132 29.998 6.585 -50.748 1.00 0.00 H new ATOM 0 HB3 PHE A 132 29.815 7.385 -52.296 1.00 0.00 H new ATOM 0 HD1 PHE A 132 31.519 9.075 -53.025 1.00 0.00 H new ATOM 0 HD2 PHE A 132 32.056 6.695 -49.532 1.00 0.00 H new ATOM 0 HE1 PHE A 132 33.921 9.591 -53.043 1.00 0.00 H new ATOM 0 HE2 PHE A 132 34.457 7.211 -49.547 1.00 0.00 H new ATOM 0 HZ PHE A 132 35.394 8.666 -51.299 1.00 0.00 H new ATOM 2083 N ALA A 133 27.080 8.007 -51.382 1.00 0.00 N ATOM 2084 CA ALA A 133 25.716 7.509 -51.255 1.00 0.00 C ATOM 2085 C ALA A 133 25.519 6.234 -52.068 1.00 0.00 C ATOM 2086 O ALA A 133 24.477 5.586 -51.982 1.00 0.00 O ATOM 2087 CB ALA A 133 24.723 8.575 -51.694 1.00 0.00 C ATOM 0 H ALA A 133 27.339 8.293 -52.326 1.00 0.00 H new ATOM 0 HA ALA A 133 25.538 7.271 -50.206 1.00 0.00 H new ATOM 0 HB1 ALA A 133 23.708 8.190 -51.594 1.00 0.00 H new ATOM 0 HB2 ALA A 133 24.839 9.460 -51.068 1.00 0.00 H new ATOM 0 HB3 ALA A 133 24.910 8.840 -52.735 1.00 0.00 H new ATOM 2093 N ASN A 134 26.528 5.880 -52.859 1.00 0.00 N ATOM 2094 CA ASN A 134 26.465 4.683 -53.688 1.00 0.00 C ATOM 2095 C ASN A 134 27.805 3.953 -53.694 1.00 0.00 C ATOM 2096 O ASN A 134 28.864 4.580 -53.690 1.00 0.00 O ATOM 2097 CB ASN A 134 26.065 5.049 -55.119 1.00 0.00 C ATOM 2098 CG ASN A 134 26.910 6.173 -55.686 1.00 0.00 C ATOM 2099 OD1 ASN A 134 27.632 5.988 -56.666 1.00 0.00 O ATOM 2100 ND2 ASN A 134 26.824 7.346 -55.070 1.00 0.00 N ATOM 0 H ASN A 134 27.398 6.406 -52.942 1.00 0.00 H new ATOM 0 HA ASN A 134 25.712 4.018 -53.265 1.00 0.00 H new ATOM 0 HB2 ASN A 134 26.160 4.170 -55.756 1.00 0.00 H new ATOM 0 HB3 ASN A 134 25.016 5.343 -55.136 1.00 0.00 H new ATOM 0 HD21 ASN A 134 27.370 8.140 -55.406 1.00 0.00 H new ATOM 0 HD22 ASN A 134 26.212 7.454 -54.261 1.00 0.00 H new ATOM 2107 N SER A 135 27.750 2.625 -53.704 1.00 0.00 N ATOM 2108 CA SER A 135 28.959 1.810 -53.707 1.00 0.00 C ATOM 2109 C SER A 135 29.840 2.150 -54.905 1.00 0.00 C ATOM 2110 O SER A 135 31.067 2.136 -54.811 1.00 0.00 O ATOM 2111 CB SER A 135 28.597 0.324 -53.731 1.00 0.00 C ATOM 2112 OG SER A 135 29.631 -0.444 -54.322 1.00 0.00 O ATOM 0 H SER A 135 26.881 2.091 -53.710 1.00 0.00 H new ATOM 0 HA SER A 135 29.516 2.026 -52.795 1.00 0.00 H new ATOM 0 HB2 SER A 135 28.416 -0.026 -52.715 1.00 0.00 H new ATOM 0 HB3 SER A 135 27.671 0.181 -54.287 1.00 0.00 H new ATOM 0 HG SER A 135 29.376 -1.390 -54.324 1.00 0.00 H new ATOM 2118 N SER A 136 29.204 2.455 -56.032 1.00 0.00 N ATOM 2119 CA SER A 136 29.929 2.795 -57.250 1.00 0.00 C ATOM 2120 C SER A 136 30.885 3.960 -57.007 1.00 0.00 C ATOM 2121 O SER A 136 32.013 3.964 -57.500 1.00 0.00 O ATOM 2122 CB SER A 136 28.949 3.151 -58.370 1.00 0.00 C ATOM 2123 OG SER A 136 28.175 2.025 -58.746 1.00 0.00 O ATOM 0 H SER A 136 28.189 2.473 -56.126 1.00 0.00 H new ATOM 0 HA SER A 136 30.513 1.925 -57.550 1.00 0.00 H new ATOM 0 HB2 SER A 136 28.291 3.955 -58.040 1.00 0.00 H new ATOM 0 HB3 SER A 136 29.499 3.523 -59.234 1.00 0.00 H new ATOM 0 HG SER A 136 27.555 2.278 -59.462 1.00 0.00 H new ATOM 2129 N ASP A 137 30.424 4.945 -56.245 1.00 0.00 N ATOM 2130 CA ASP A 137 31.237 6.115 -55.934 1.00 0.00 C ATOM 2131 C ASP A 137 32.336 5.764 -54.937 1.00 0.00 C ATOM 2132 O ASP A 137 33.499 6.119 -55.129 1.00 0.00 O ATOM 2133 CB ASP A 137 30.361 7.237 -55.374 1.00 0.00 C ATOM 2134 CG ASP A 137 30.929 8.613 -55.660 1.00 0.00 C ATOM 2135 OD1 ASP A 137 32.166 8.730 -55.784 1.00 0.00 O ATOM 2136 OD2 ASP A 137 30.137 9.573 -55.760 1.00 0.00 O ATOM 0 H ASP A 137 29.492 4.957 -55.831 1.00 0.00 H new ATOM 0 HA ASP A 137 31.705 6.457 -56.857 1.00 0.00 H new ATOM 0 HB2 ASP A 137 29.362 7.163 -55.804 1.00 0.00 H new ATOM 0 HB3 ASP A 137 30.255 7.108 -54.297 1.00 0.00 H new ATOM 2141 N ARG A 138 31.960 5.066 -53.870 1.00 0.00 N ATOM 2142 CA ARG A 138 32.913 4.669 -52.841 1.00 0.00 C ATOM 2143 C ARG A 138 34.010 3.785 -53.428 1.00 0.00 C ATOM 2144 O ARG A 138 35.166 3.850 -53.008 1.00 0.00 O ATOM 2145 CB ARG A 138 32.196 3.928 -51.711 1.00 0.00 C ATOM 2146 CG ARG A 138 33.113 3.033 -50.892 1.00 0.00 C ATOM 2147 CD ARG A 138 32.561 2.801 -49.494 1.00 0.00 C ATOM 2148 NE ARG A 138 31.407 1.907 -49.502 1.00 0.00 N ATOM 2149 CZ ARG A 138 30.717 1.587 -48.413 1.00 0.00 C ATOM 2150 NH1 ARG A 138 31.064 2.087 -47.235 1.00 0.00 N ATOM 2151 NH2 ARG A 138 29.678 0.767 -48.501 1.00 0.00 N ATOM 0 H ARG A 138 31.001 4.764 -53.696 1.00 0.00 H new ATOM 0 HA ARG A 138 33.374 5.572 -52.440 1.00 0.00 H new ATOM 0 HB2 ARG A 138 31.728 4.657 -51.049 1.00 0.00 H new ATOM 0 HB3 ARG A 138 31.395 3.322 -52.136 1.00 0.00 H new ATOM 0 HG2 ARG A 138 33.237 2.076 -51.399 1.00 0.00 H new ATOM 0 HG3 ARG A 138 34.101 3.488 -50.823 1.00 0.00 H new ATOM 0 HD2 ARG A 138 33.342 2.379 -48.862 1.00 0.00 H new ATOM 0 HD3 ARG A 138 32.276 3.757 -49.054 1.00 0.00 H new ATOM 0 HE ARG A 138 31.114 1.506 -50.393 1.00 0.00 H new ATOM 0 HH11 ARG A 138 31.862 2.718 -47.164 1.00 0.00 H new ATOM 0 HH12 ARG A 138 30.533 1.840 -46.400 1.00 0.00 H new ATOM 0 HH21 ARG A 138 29.408 0.381 -49.406 1.00 0.00 H new ATOM 0 HH22 ARG A 138 29.149 0.522 -47.664 1.00 0.00 H new ATOM 2165 N LYS A 139 33.640 2.959 -54.401 1.00 0.00 N ATOM 2166 CA LYS A 139 34.591 2.062 -55.047 1.00 0.00 C ATOM 2167 C LYS A 139 35.479 2.824 -56.025 1.00 0.00 C ATOM 2168 O LYS A 139 36.596 2.402 -56.324 1.00 0.00 O ATOM 2169 CB LYS A 139 33.849 0.942 -55.780 1.00 0.00 C ATOM 2170 CG LYS A 139 34.688 0.251 -56.841 1.00 0.00 C ATOM 2171 CD LYS A 139 34.609 0.974 -58.174 1.00 0.00 C ATOM 2172 CE LYS A 139 34.828 0.021 -59.339 1.00 0.00 C ATOM 2173 NZ LYS A 139 34.310 0.580 -60.619 1.00 0.00 N ATOM 0 H LYS A 139 32.687 2.892 -54.760 1.00 0.00 H new ATOM 0 HA LYS A 139 35.224 1.625 -54.274 1.00 0.00 H new ATOM 0 HB2 LYS A 139 33.516 0.202 -55.053 1.00 0.00 H new ATOM 0 HB3 LYS A 139 32.955 1.355 -56.247 1.00 0.00 H new ATOM 0 HG2 LYS A 139 35.726 0.205 -56.512 1.00 0.00 H new ATOM 0 HG3 LYS A 139 34.347 -0.777 -56.963 1.00 0.00 H new ATOM 0 HD2 LYS A 139 33.635 1.453 -58.272 1.00 0.00 H new ATOM 0 HD3 LYS A 139 35.358 1.766 -58.205 1.00 0.00 H new ATOM 0 HE2 LYS A 139 35.893 -0.191 -59.440 1.00 0.00 H new ATOM 0 HE3 LYS A 139 34.333 -0.927 -59.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 34.478 -0.100 -61.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 33.289 0.758 -60.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 34.800 1.472 -60.832 1.00 0.00 H new ATOM 2187 N LYS A 140 34.977 3.950 -56.519 1.00 0.00 N ATOM 2188 CA LYS A 140 35.725 4.774 -57.462 1.00 0.00 C ATOM 2189 C LYS A 140 36.834 5.543 -56.751 1.00 0.00 C ATOM 2190 O LYS A 140 37.786 6.005 -57.382 1.00 0.00 O ATOM 2191 CB LYS A 140 34.787 5.751 -58.173 1.00 0.00 C ATOM 2192 CG LYS A 140 34.179 5.192 -59.448 1.00 0.00 C ATOM 2193 CD LYS A 140 32.948 5.977 -59.869 1.00 0.00 C ATOM 2194 CE LYS A 140 33.319 7.355 -60.396 1.00 0.00 C ATOM 2195 NZ LYS A 140 32.153 8.282 -60.395 1.00 0.00 N ATOM 0 H LYS A 140 34.054 4.314 -56.282 1.00 0.00 H new ATOM 0 HA LYS A 140 36.180 4.115 -58.201 1.00 0.00 H new ATOM 0 HB2 LYS A 140 33.985 6.033 -57.491 1.00 0.00 H new ATOM 0 HB3 LYS A 140 35.337 6.661 -58.411 1.00 0.00 H new ATOM 0 HG2 LYS A 140 34.920 5.218 -60.247 1.00 0.00 H new ATOM 0 HG3 LYS A 140 33.911 4.146 -59.296 1.00 0.00 H new ATOM 0 HD2 LYS A 140 32.409 5.425 -60.639 1.00 0.00 H new ATOM 0 HD3 LYS A 140 32.273 6.081 -59.019 1.00 0.00 H new ATOM 0 HE2 LYS A 140 34.117 7.775 -59.784 1.00 0.00 H new ATOM 0 HE3 LYS A 140 33.709 7.263 -61.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 32.447 9.210 -60.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 31.401 7.894 -60.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 31.796 8.390 -59.424 1.00 0.00 H new ATOM 2209 N HIS A 141 36.706 5.675 -55.434 1.00 0.00 N ATOM 2210 CA HIS A 141 37.699 6.387 -54.637 1.00 0.00 C ATOM 2211 C HIS A 141 38.799 5.439 -54.168 1.00 0.00 C ATOM 2212 O HIS A 141 39.743 5.854 -53.496 1.00 0.00 O ATOM 2213 CB HIS A 141 37.035 7.053 -53.432 1.00 0.00 C ATOM 2214 CG HIS A 141 37.999 7.429 -52.349 1.00 0.00 C ATOM 2215 ND1 HIS A 141 38.773 8.569 -52.394 1.00 0.00 N ATOM 2216 CD2 HIS A 141 38.310 6.810 -51.187 1.00 0.00 C ATOM 2217 CE1 HIS A 141 39.520 8.634 -51.306 1.00 0.00 C ATOM 2218 NE2 HIS A 141 39.258 7.579 -50.557 1.00 0.00 N ATOM 0 H HIS A 141 35.925 5.298 -54.897 1.00 0.00 H new ATOM 0 HA HIS A 141 38.149 7.156 -55.264 1.00 0.00 H new ATOM 0 HB2 HIS A 141 36.509 7.948 -53.766 1.00 0.00 H new ATOM 0 HB3 HIS A 141 36.285 6.377 -53.021 1.00 0.00 H new ATOM 0 HD1 HIS A 141 38.770 9.255 -53.149 1.00 0.00 H new ATOM 0 HD2 HIS A 141 37.891 5.884 -50.823 1.00 0.00 H new ATOM 0 HE1 HIS A 141 40.225 9.417 -51.070 1.00 0.00 H new ATOM 2226 N MET A 142 38.669 4.166 -54.526 1.00 0.00 N ATOM 2227 CA MET A 142 39.653 3.160 -54.141 1.00 0.00 C ATOM 2228 C MET A 142 40.780 3.082 -55.166 1.00 0.00 C ATOM 2229 O MET A 142 41.873 2.601 -54.866 1.00 0.00 O ATOM 2230 CB MET A 142 38.984 1.792 -53.995 1.00 0.00 C ATOM 2231 CG MET A 142 37.653 1.841 -53.263 1.00 0.00 C ATOM 2232 SD MET A 142 37.834 1.643 -51.480 1.00 0.00 S ATOM 2233 CE MET A 142 37.953 3.353 -50.960 1.00 0.00 C ATOM 0 H MET A 142 37.893 3.806 -55.082 1.00 0.00 H new ATOM 0 HA MET A 142 40.079 3.452 -53.181 1.00 0.00 H new ATOM 0 HB2 MET A 142 38.829 1.365 -54.986 1.00 0.00 H new ATOM 0 HB3 MET A 142 39.658 1.122 -53.461 1.00 0.00 H new ATOM 0 HG2 MET A 142 37.163 2.792 -53.471 1.00 0.00 H new ATOM 0 HG3 MET A 142 37.002 1.056 -53.648 1.00 0.00 H new ATOM 0 HE1 MET A 142 38.691 3.440 -50.163 1.00 0.00 H new ATOM 0 HE2 MET A 142 38.257 3.970 -51.805 1.00 0.00 H new ATOM 0 HE3 MET A 142 36.983 3.691 -50.595 1.00 0.00 H new ATOM 2243 N HIS A 143 40.507 3.557 -56.377 1.00 0.00 N ATOM 2244 CA HIS A 143 41.499 3.541 -57.446 1.00 0.00 C ATOM 2245 C HIS A 143 42.779 4.248 -57.011 1.00 0.00 C ATOM 2246 O HIS A 143 43.847 4.025 -57.579 1.00 0.00 O ATOM 2247 CB HIS A 143 40.937 4.207 -58.702 1.00 0.00 C ATOM 2248 CG HIS A 143 40.052 3.310 -59.511 1.00 0.00 C ATOM 2249 ND1 HIS A 143 40.512 2.552 -60.568 1.00 0.00 N ATOM 2250 CD2 HIS A 143 38.727 3.049 -59.412 1.00 0.00 C ATOM 2251 CE1 HIS A 143 39.508 1.866 -61.085 1.00 0.00 C ATOM 2252 NE2 HIS A 143 38.414 2.150 -60.402 1.00 0.00 N ATOM 0 H HIS A 143 39.607 3.958 -56.642 1.00 0.00 H new ATOM 0 HA HIS A 143 41.738 2.501 -57.670 1.00 0.00 H new ATOM 0 HB2 HIS A 143 40.374 5.094 -58.412 1.00 0.00 H new ATOM 0 HB3 HIS A 143 41.765 4.545 -59.325 1.00 0.00 H new ATOM 0 HD2 HIS A 143 38.044 3.469 -58.689 1.00 0.00 H new ATOM 0 HE1 HIS A 143 39.571 1.188 -61.924 1.00 0.00 H new ATOM 0 HE2 HIS A 143 37.487 1.764 -60.581 1.00 0.00 H new ATOM 2260 N VAL A 144 42.662 5.101 -55.998 1.00 0.00 N ATOM 2261 CA VAL A 144 43.810 5.841 -55.486 1.00 0.00 C ATOM 2262 C VAL A 144 44.372 5.183 -54.230 1.00 0.00 C ATOM 2263 O VAL A 144 45.478 5.500 -53.792 1.00 0.00 O ATOM 2264 CB VAL A 144 43.439 7.301 -55.165 1.00 0.00 C ATOM 2265 CG1 VAL A 144 41.954 7.419 -54.858 1.00 0.00 C ATOM 2266 CG2 VAL A 144 44.275 7.820 -54.005 1.00 0.00 C ATOM 0 H VAL A 144 41.785 5.297 -55.516 1.00 0.00 H new ATOM 0 HA VAL A 144 44.568 5.830 -56.269 1.00 0.00 H new ATOM 0 HB VAL A 144 43.654 7.914 -56.040 1.00 0.00 H new ATOM 0 HG11 VAL A 144 41.710 8.457 -54.634 1.00 0.00 H new ATOM 0 HG12 VAL A 144 41.377 7.089 -55.722 1.00 0.00 H new ATOM 0 HG13 VAL A 144 41.709 6.795 -53.998 1.00 0.00 H new ATOM 0 HG21 VAL A 144 44.000 8.853 -53.792 1.00 0.00 H new ATOM 0 HG22 VAL A 144 44.093 7.206 -53.123 1.00 0.00 H new ATOM 0 HG23 VAL A 144 45.332 7.773 -54.268 1.00 0.00 H new ATOM 2276 N HIS A 145 43.602 4.264 -53.656 1.00 0.00 N ATOM 2277 CA HIS A 145 44.024 3.560 -52.450 1.00 0.00 C ATOM 2278 C HIS A 145 44.944 2.393 -52.796 1.00 0.00 C ATOM 2279 O HIS A 145 45.627 1.848 -51.928 1.00 0.00 O ATOM 2280 CB HIS A 145 42.805 3.051 -51.679 1.00 0.00 C ATOM 2281 CG HIS A 145 42.270 4.038 -50.687 1.00 0.00 C ATOM 2282 ND1 HIS A 145 43.038 4.590 -49.684 1.00 0.00 N ATOM 2283 CD2 HIS A 145 41.034 4.572 -50.549 1.00 0.00 C ATOM 2284 CE1 HIS A 145 42.298 5.419 -48.971 1.00 0.00 C ATOM 2285 NE2 HIS A 145 41.078 5.427 -49.475 1.00 0.00 N ATOM 0 H HIS A 145 42.684 3.990 -54.006 1.00 0.00 H new ATOM 0 HA HIS A 145 44.575 4.261 -51.824 1.00 0.00 H new ATOM 0 HB2 HIS A 145 42.017 2.797 -52.388 1.00 0.00 H new ATOM 0 HB3 HIS A 145 43.073 2.132 -51.157 1.00 0.00 H new ATOM 0 HD1 HIS A 145 44.024 4.389 -49.519 1.00 0.00 H new ATOM 0 HD2 HIS A 145 40.174 4.364 -51.168 1.00 0.00 H new ATOM 0 HE1 HIS A 145 42.634 5.993 -48.120 1.00 0.00 H new ATOM 2293 N THR A 146 44.959 2.014 -54.070 1.00 0.00 N ATOM 2294 CA THR A 146 45.794 0.912 -54.530 1.00 0.00 C ATOM 2295 C THR A 146 46.871 1.402 -55.490 1.00 0.00 C ATOM 2296 O THR A 146 46.829 2.541 -55.957 1.00 0.00 O ATOM 2297 CB THR A 146 44.955 -0.174 -55.229 1.00 0.00 C ATOM 2298 OG1 THR A 146 45.564 -1.457 -55.046 1.00 0.00 O ATOM 2299 CG2 THR A 146 44.817 0.120 -56.715 1.00 0.00 C ATOM 0 H THR A 146 44.402 2.455 -54.802 1.00 0.00 H new ATOM 0 HA THR A 146 46.267 0.483 -53.646 1.00 0.00 H new ATOM 0 HB THR A 146 43.961 -0.177 -54.782 1.00 0.00 H new ATOM 0 HG1 THR A 146 45.024 -2.142 -55.492 1.00 0.00 H new ATOM 0 HG21 THR A 146 44.220 -0.661 -57.187 1.00 0.00 H new ATOM 0 HG22 THR A 146 44.326 1.084 -56.851 1.00 0.00 H new ATOM 0 HG23 THR A 146 45.805 0.148 -57.174 1.00 0.00 H new ATOM 2307 N SER A 147 47.835 0.535 -55.783 1.00 0.00 N ATOM 2308 CA SER A 147 48.926 0.882 -56.687 1.00 0.00 C ATOM 2309 C SER A 147 48.393 1.229 -58.074 1.00 0.00 C ATOM 2310 O SER A 147 47.529 0.536 -58.610 1.00 0.00 O ATOM 2311 CB SER A 147 49.922 -0.275 -56.786 1.00 0.00 C ATOM 2312 OG SER A 147 51.059 0.094 -57.545 1.00 0.00 O ATOM 0 H SER A 147 47.883 -0.412 -55.408 1.00 0.00 H new ATOM 0 HA SER A 147 49.435 1.757 -56.283 1.00 0.00 H new ATOM 0 HB2 SER A 147 50.232 -0.579 -55.786 1.00 0.00 H new ATOM 0 HB3 SER A 147 49.438 -1.137 -57.246 1.00 0.00 H new ATOM 0 HG SER A 147 51.681 -0.662 -57.592 1.00 0.00 H new ATOM 2318 N ASP A 148 48.916 2.307 -58.648 1.00 0.00 N ATOM 2319 CA ASP A 148 48.494 2.747 -59.973 1.00 0.00 C ATOM 2320 C ASP A 148 49.596 3.555 -60.653 1.00 0.00 C ATOM 2321 O ASP A 148 50.459 4.130 -59.990 1.00 0.00 O ATOM 2322 CB ASP A 148 47.218 3.584 -59.874 1.00 0.00 C ATOM 2323 CG ASP A 148 47.106 4.603 -60.992 1.00 0.00 C ATOM 2324 OD1 ASP A 148 47.974 5.497 -61.069 1.00 0.00 O ATOM 2325 OD2 ASP A 148 46.150 4.504 -61.789 1.00 0.00 O ATOM 0 H ASP A 148 49.632 2.892 -58.217 1.00 0.00 H new ATOM 0 HA ASP A 148 48.292 1.862 -60.576 1.00 0.00 H new ATOM 0 HB2 ASP A 148 46.351 2.924 -59.900 1.00 0.00 H new ATOM 0 HB3 ASP A 148 47.198 4.099 -58.914 1.00 0.00 H new ATOM 2330 N LYS A 149 49.561 3.592 -61.981 1.00 0.00 N ATOM 2331 CA LYS A 149 50.555 4.329 -62.752 1.00 0.00 C ATOM 2332 C LYS A 149 49.957 5.607 -63.331 1.00 0.00 C ATOM 2333 O LYS A 149 50.655 6.605 -63.510 1.00 0.00 O ATOM 2334 CB LYS A 149 51.105 3.454 -63.881 1.00 0.00 C ATOM 2335 CG LYS A 149 51.302 2.002 -63.484 1.00 0.00 C ATOM 2336 CD LYS A 149 52.643 1.786 -62.803 1.00 0.00 C ATOM 2337 CE LYS A 149 52.547 2.004 -61.301 1.00 0.00 C ATOM 2338 NZ LYS A 149 52.094 0.776 -60.591 1.00 0.00 N ATOM 0 H LYS A 149 48.855 3.120 -62.546 1.00 0.00 H new ATOM 0 HA LYS A 149 51.370 4.602 -62.081 1.00 0.00 H new ATOM 0 HB2 LYS A 149 50.423 3.500 -64.730 1.00 0.00 H new ATOM 0 HB3 LYS A 149 52.059 3.863 -64.215 1.00 0.00 H new ATOM 0 HG2 LYS A 149 50.499 1.695 -62.814 1.00 0.00 H new ATOM 0 HG3 LYS A 149 51.237 1.370 -64.370 1.00 0.00 H new ATOM 0 HD2 LYS A 149 52.995 0.774 -63.003 1.00 0.00 H new ATOM 0 HD3 LYS A 149 53.380 2.469 -63.224 1.00 0.00 H new ATOM 0 HE2 LYS A 149 53.520 2.309 -60.915 1.00 0.00 H new ATOM 0 HE3 LYS A 149 51.853 2.819 -61.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 51.911 1.000 -59.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 51.221 0.422 -61.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 52.833 0.047 -60.652 1.00 0.00 H new ATOM 2352 N SER A 150 48.660 5.570 -63.620 1.00 0.00 N ATOM 2353 CA SER A 150 47.968 6.725 -64.181 1.00 0.00 C ATOM 2354 C SER A 150 46.465 6.478 -64.248 1.00 0.00 C ATOM 2355 O SER A 150 45.994 5.652 -65.030 1.00 0.00 O ATOM 2356 CB SER A 150 48.508 7.041 -65.577 1.00 0.00 C ATOM 2357 OG SER A 150 47.712 8.020 -66.222 1.00 0.00 O ATOM 0 H SER A 150 48.067 4.753 -63.475 1.00 0.00 H new ATOM 0 HA SER A 150 48.149 7.579 -63.528 1.00 0.00 H new ATOM 0 HB2 SER A 150 49.536 7.396 -65.501 1.00 0.00 H new ATOM 0 HB3 SER A 150 48.528 6.131 -66.177 1.00 0.00 H new ATOM 0 HG SER A 150 48.079 8.206 -67.112 1.00 0.00 H new ATOM 2363 N GLY A 151 45.714 7.201 -63.422 1.00 0.00 N ATOM 2364 CA GLY A 151 44.271 7.046 -63.403 1.00 0.00 C ATOM 2365 C GLY A 151 43.583 8.126 -62.592 1.00 0.00 C ATOM 2366 O GLY A 151 42.822 7.846 -61.665 1.00 0.00 O ATOM 0 H GLY A 151 46.079 7.891 -62.766 1.00 0.00 H new ATOM 0 HA2 GLY A 151 43.893 7.067 -64.425 1.00 0.00 H new ATOM 0 HA3 GLY A 151 44.019 6.069 -62.990 1.00 0.00 H new ATOM 2370 N PRO A 152 43.852 9.394 -62.937 1.00 0.00 N ATOM 2371 CA PRO A 152 43.263 10.544 -62.246 1.00 0.00 C ATOM 2372 C PRO A 152 41.769 10.683 -62.518 1.00 0.00 C ATOM 2373 O PRO A 152 41.361 11.036 -63.624 1.00 0.00 O ATOM 2374 CB PRO A 152 44.026 11.737 -62.829 1.00 0.00 C ATOM 2375 CG PRO A 152 44.483 11.275 -64.169 1.00 0.00 C ATOM 2376 CD PRO A 152 44.749 9.801 -64.031 1.00 0.00 C ATOM 0 HA PRO A 152 43.347 10.454 -61.163 1.00 0.00 H new ATOM 0 HB2 PRO A 152 43.386 12.615 -62.910 1.00 0.00 H new ATOM 0 HB3 PRO A 152 44.869 12.015 -62.197 1.00 0.00 H new ATOM 0 HG2 PRO A 152 43.723 11.465 -64.927 1.00 0.00 H new ATOM 0 HG3 PRO A 152 45.383 11.806 -64.479 1.00 0.00 H new ATOM 0 HD2 PRO A 152 44.527 9.264 -64.953 1.00 0.00 H new ATOM 0 HD3 PRO A 152 45.793 9.602 -63.790 1.00 0.00 H new ATOM 2384 N SER A 153 40.959 10.403 -61.503 1.00 0.00 N ATOM 2385 CA SER A 153 39.509 10.494 -61.634 1.00 0.00 C ATOM 2386 C SER A 153 39.074 11.938 -61.861 1.00 0.00 C ATOM 2387 O SER A 153 39.415 12.831 -61.085 1.00 0.00 O ATOM 2388 CB SER A 153 38.827 9.934 -60.385 1.00 0.00 C ATOM 2389 OG SER A 153 39.434 8.722 -59.972 1.00 0.00 O ATOM 0 H SER A 153 41.282 10.111 -60.580 1.00 0.00 H new ATOM 0 HA SER A 153 39.209 9.902 -62.499 1.00 0.00 H new ATOM 0 HB2 SER A 153 38.882 10.665 -59.578 1.00 0.00 H new ATOM 0 HB3 SER A 153 37.770 9.764 -60.590 1.00 0.00 H new ATOM 0 HG SER A 153 38.981 8.386 -59.171 1.00 0.00 H new ATOM 2395 N SER A 154 38.317 12.160 -62.932 1.00 0.00 N ATOM 2396 CA SER A 154 37.837 13.496 -63.265 1.00 0.00 C ATOM 2397 C SER A 154 37.010 14.077 -62.122 1.00 0.00 C ATOM 2398 O SER A 154 35.841 13.735 -61.951 1.00 0.00 O ATOM 2399 CB SER A 154 37.001 13.456 -64.545 1.00 0.00 C ATOM 2400 OG SER A 154 37.664 12.729 -65.565 1.00 0.00 O ATOM 0 H SER A 154 38.023 11.432 -63.583 1.00 0.00 H new ATOM 0 HA SER A 154 38.704 14.137 -63.425 1.00 0.00 H new ATOM 0 HB2 SER A 154 36.034 12.998 -64.337 1.00 0.00 H new ATOM 0 HB3 SER A 154 36.805 14.472 -64.887 1.00 0.00 H new ATOM 0 HG SER A 154 37.108 12.717 -66.372 1.00 0.00 H new ATOM 2406 N GLY A 155 37.627 14.958 -61.341 1.00 0.00 N ATOM 2407 CA GLY A 155 36.934 15.573 -60.224 1.00 0.00 C ATOM 2408 C GLY A 155 37.847 15.817 -59.039 1.00 0.00 C ATOM 2409 O GLY A 155 39.061 15.678 -59.180 1.00 0.00 O ATOM 0 H GLY A 155 38.595 15.257 -61.462 1.00 0.00 H new ATOM 0 HA2 GLY A 155 36.501 16.520 -60.546 1.00 0.00 H new ATOM 0 HA3 GLY A 155 36.107 14.933 -59.916 1.00 0.00 H new TER 2413 GLY A 155 HETATM 2414 ZN ZN A 201 -9.398 18.334 -20.637 1.00 0.00 ZN HETATM 2415 ZN ZN A 401 1.692 18.418 -19.143 1.00 0.00 ZN HETATM 2416 ZN ZN A 601 16.252 11.627 -41.226 1.00 0.00 ZN HETATM 2417 ZN ZN A 801 39.617 6.561 -48.964 1.00 0.00 ZN