USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 THR OG1 : rot 180:sc= -0.22 USER MOD Set 1.2: A 67 MET CE :methyl -178:sc= -0.845 (180deg=-0.714) USER MOD Single : A 15 ASN : amide:sc= -0.639 K(o=-0.64,f=-3.8!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -8.56! C(o=-8.6!,f=-14!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-0.4) USER MOD Single : A 32 ASN : amide:sc= -0.952 X(o=-0.95,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.2 K(o=-0.2,f=-0.74) USER MOD Single : A 46 LYS NZ :NH3+ -101:sc= 0.693 (180deg=-0.0509) USER MOD Single : A 54 ASN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.36) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -66:sc= 0.164 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -5.61! C(o=-5.6!,f=-14!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 82 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.2!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -125:sc= 0.53 USER MOD Single : A 85 HIS : no HE2:sc= -25.1! C(o=-25!,f=-30!) USER MOD Single : A 87 HIS : no HD1:sc= -4.01! C(o=-4!,f=-2.7!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.899 K(o=-0.9,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HE2:sc= -11.6! C(o=-12!,f=-16!) USER MOD Single : A 100 ASN : amide:sc= -2.05! K(o=-2.1!,f=-0.5) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -6.21! C(o=-6.2!,f=-5.8!) USER MOD Single : A 107 ASN : amide:sc= -0.347 K(o=-0.35,f=-3.2!) USER MOD Single : A 114 TYR OH : rot 158:sc= -1.94! USER MOD Single : A 116 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.083) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -11.5! C(o=-11!,f=-12!) USER MOD Single : A 127 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.059 X(o=-0.059,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 38 N CYS A 11 21.082 13.662 17.118 1.00 1.00 N ATOM 39 CA CYS A 11 20.904 13.307 15.682 1.00 1.00 C ATOM 40 C CYS A 11 19.771 14.143 15.085 1.00 1.00 C ATOM 41 O CYS A 11 18.749 14.357 15.707 1.00 1.00 O ATOM 42 CB CYS A 11 20.559 11.821 15.564 1.00 1.00 C ATOM 43 SG CYS A 11 21.777 10.845 16.481 1.00 1.00 S ATOM 0 HA CYS A 11 21.828 13.510 15.140 1.00 1.00 H new ATOM 0 HB2 CYS A 11 19.559 11.636 15.957 1.00 1.00 H new ATOM 0 HB3 CYS A 11 20.551 11.521 14.516 1.00 1.00 H new ATOM 44 N ASP A 12 19.943 14.618 13.882 1.00 1.00 N ATOM 45 CA ASP A 12 18.875 15.440 13.245 1.00 1.00 C ATOM 46 C ASP A 12 18.198 14.627 12.140 1.00 1.00 C ATOM 47 O ASP A 12 17.680 15.171 11.185 1.00 1.00 O ATOM 48 CB ASP A 12 19.494 16.704 12.644 1.00 1.00 C ATOM 49 CG ASP A 12 18.945 17.936 13.365 1.00 1.00 C ATOM 50 OD1 ASP A 12 18.867 17.899 14.582 1.00 1.00 O ATOM 51 OD2 ASP A 12 18.612 18.895 12.689 1.00 1.00 O ATOM 0 H ASP A 12 20.777 14.473 13.313 1.00 1.00 H new ATOM 0 HA ASP A 12 18.135 15.720 13.995 1.00 1.00 H new ATOM 0 HB2 ASP A 12 20.579 16.669 12.737 1.00 1.00 H new ATOM 0 HB3 ASP A 12 19.267 16.762 11.579 1.00 1.00 H new ATOM 52 N CYS A 13 18.199 13.328 12.261 1.00 1.00 N ATOM 53 CA CYS A 13 17.557 12.482 11.217 1.00 1.00 C ATOM 54 C CYS A 13 17.164 11.133 11.826 1.00 1.00 C ATOM 55 O CYS A 13 17.680 10.735 12.852 1.00 1.00 O ATOM 56 CB CYS A 13 18.540 12.264 10.067 1.00 1.00 C ATOM 57 SG CYS A 13 18.503 13.706 8.974 1.00 1.00 S ATOM 0 H CYS A 13 18.617 12.816 13.038 1.00 1.00 H new ATOM 0 HA CYS A 13 16.664 12.979 10.839 1.00 1.00 H new ATOM 0 HB2 CYS A 13 19.547 12.113 10.457 1.00 1.00 H new ATOM 0 HB3 CYS A 13 18.275 11.364 9.512 1.00 1.00 H new ATOM 58 N LEU A 14 16.254 10.423 11.210 1.00 1.00 N ATOM 59 CA LEU A 14 15.841 9.104 11.775 1.00 1.00 C ATOM 60 C LEU A 14 14.969 8.357 10.755 1.00 1.00 C ATOM 61 O LEU A 14 15.010 8.641 9.575 1.00 1.00 O ATOM 62 CB LEU A 14 15.064 9.336 13.082 1.00 1.00 C ATOM 63 CG LEU A 14 14.222 10.612 12.983 1.00 1.00 C ATOM 64 CD1 LEU A 14 13.428 10.619 11.678 1.00 1.00 C ATOM 65 CD2 LEU A 14 13.245 10.661 14.158 1.00 1.00 C ATOM 0 H LEU A 14 15.783 10.696 10.348 1.00 1.00 H new ATOM 0 HA LEU A 14 16.722 8.498 11.988 1.00 1.00 H new ATOM 0 HB2 LEU A 14 14.419 8.482 13.285 1.00 1.00 H new ATOM 0 HB3 LEU A 14 15.760 9.416 13.917 1.00 1.00 H new ATOM 0 HG LEU A 14 14.884 11.478 13.006 1.00 1.00 H new ATOM 0 HD11 LEU A 14 12.833 11.531 11.619 1.00 1.00 H new ATOM 0 HD12 LEU A 14 14.116 10.579 10.833 1.00 1.00 H new ATOM 0 HD13 LEU A 14 12.767 9.752 11.649 1.00 1.00 H new ATOM 0 HD21 LEU A 14 12.643 11.567 14.093 1.00 1.00 H new ATOM 0 HD22 LEU A 14 12.592 9.789 14.125 1.00 1.00 H new ATOM 0 HD23 LEU A 14 13.802 10.662 15.095 1.00 1.00 H new ATOM 66 N ASN A 15 14.189 7.400 11.190 1.00 1.00 N ATOM 67 CA ASN A 15 13.330 6.649 10.233 1.00 1.00 C ATOM 68 C ASN A 15 14.208 6.017 9.154 1.00 1.00 C ATOM 69 O ASN A 15 13.771 5.763 8.049 1.00 1.00 O ATOM 70 CB ASN A 15 12.329 7.607 9.583 1.00 1.00 C ATOM 71 CG ASN A 15 11.058 7.670 10.432 1.00 1.00 C ATOM 72 OD1 ASN A 15 11.070 8.199 11.526 1.00 1.00 O ATOM 73 ND2 ASN A 15 9.954 7.149 9.971 1.00 1.00 N ATOM 0 H ASN A 15 14.112 7.109 12.164 1.00 1.00 H new ATOM 0 HA ASN A 15 12.788 5.868 10.765 1.00 1.00 H new ATOM 0 HB2 ASN A 15 12.767 8.601 9.491 1.00 1.00 H new ATOM 0 HB3 ASN A 15 12.089 7.270 8.575 1.00 1.00 H new ATOM 0 HD21 ASN A 15 9.101 7.186 10.529 1.00 1.00 H new ATOM 0 HD22 ASN A 15 9.944 6.705 9.053 1.00 1.00 H new ATOM 74 N GLY A 16 15.446 5.765 9.469 1.00 1.00 N ATOM 75 CA GLY A 16 16.365 5.153 8.471 1.00 1.00 C ATOM 76 C GLY A 16 17.483 6.136 8.140 1.00 1.00 C ATOM 77 O GLY A 16 18.245 5.943 7.213 1.00 1.00 O ATOM 0 H GLY A 16 15.863 5.957 10.380 1.00 1.00 H new ATOM 0 HA2 GLY A 16 16.785 4.228 8.866 1.00 1.00 H new ATOM 0 HA3 GLY A 16 15.815 4.893 7.566 1.00 1.00 H new ATOM 78 N GLY A 17 17.590 7.186 8.900 1.00 1.00 N ATOM 79 CA GLY A 17 18.664 8.187 8.645 1.00 1.00 C ATOM 80 C GLY A 17 19.886 7.838 9.495 1.00 1.00 C ATOM 81 O GLY A 17 19.810 7.764 10.705 1.00 1.00 O ATOM 0 H GLY A 17 16.980 7.397 9.689 1.00 1.00 H new ATOM 0 HA2 GLY A 17 18.930 8.192 7.588 1.00 1.00 H new ATOM 0 HA3 GLY A 17 18.310 9.189 8.889 1.00 1.00 H new ATOM 82 N THR A 18 21.013 7.617 8.875 1.00 1.00 N ATOM 83 CA THR A 18 22.232 7.266 9.655 1.00 1.00 C ATOM 84 C THR A 18 22.665 8.468 10.495 1.00 1.00 C ATOM 85 O THR A 18 22.831 9.562 9.994 1.00 1.00 O ATOM 86 CB THR A 18 23.357 6.878 8.697 1.00 1.00 C ATOM 87 OG1 THR A 18 23.012 5.700 8.000 1.00 1.00 O ATOM 88 CG2 THR A 18 24.622 6.651 9.522 1.00 1.00 C ATOM 0 H THR A 18 21.142 7.664 7.864 1.00 1.00 H new ATOM 0 HA THR A 18 22.012 6.426 10.313 1.00 1.00 H new ATOM 0 HB THR A 18 23.523 7.669 7.966 1.00 1.00 H new ATOM 0 HG1 THR A 18 23.737 5.459 7.387 1.00 1.00 H new ATOM 0 HG21 THR A 18 25.442 6.372 8.861 1.00 1.00 H new ATOM 0 HG22 THR A 18 24.879 7.567 10.053 1.00 1.00 H new ATOM 0 HG23 THR A 18 24.448 5.851 10.242 1.00 1.00 H new ATOM 89 N CYS A 19 22.849 8.274 11.771 1.00 1.00 N ATOM 90 CA CYS A 19 23.272 9.404 12.642 1.00 1.00 C ATOM 91 C CYS A 19 24.778 9.314 12.892 1.00 1.00 C ATOM 92 O CYS A 19 25.280 8.314 13.363 1.00 1.00 O ATOM 93 CB CYS A 19 22.526 9.326 13.976 1.00 1.00 C ATOM 94 SG CYS A 19 23.250 10.507 15.141 1.00 1.00 S ATOM 0 H CYS A 19 22.725 7.381 12.248 1.00 1.00 H new ATOM 0 HA CYS A 19 23.040 10.350 12.152 1.00 1.00 H new ATOM 0 HB2 CYS A 19 21.469 9.547 13.827 1.00 1.00 H new ATOM 0 HB3 CYS A 19 22.587 8.316 14.381 1.00 1.00 H new ATOM 95 N VAL A 20 25.503 10.352 12.579 1.00 1.00 N ATOM 96 CA VAL A 20 26.975 10.325 12.797 1.00 1.00 C ATOM 97 C VAL A 20 27.311 11.087 14.082 1.00 1.00 C ATOM 98 O VAL A 20 26.494 11.812 14.614 1.00 1.00 O ATOM 99 CB VAL A 20 27.673 10.984 11.605 1.00 1.00 C ATOM 100 CG1 VAL A 20 27.061 10.460 10.305 1.00 1.00 C ATOM 101 CG2 VAL A 20 27.485 12.500 11.676 1.00 1.00 C ATOM 0 H VAL A 20 25.139 11.218 12.182 1.00 1.00 H new ATOM 0 HA VAL A 20 27.317 9.294 12.891 1.00 1.00 H new ATOM 0 HB VAL A 20 28.737 10.747 11.632 1.00 1.00 H new ATOM 0 HG11 VAL A 20 27.557 10.928 9.455 1.00 1.00 H new ATOM 0 HG12 VAL A 20 27.192 9.379 10.251 1.00 1.00 H new ATOM 0 HG13 VAL A 20 25.998 10.699 10.281 1.00 1.00 H new ATOM 0 HG21 VAL A 20 27.982 12.968 10.827 1.00 1.00 H new ATOM 0 HG22 VAL A 20 26.421 12.736 11.649 1.00 1.00 H new ATOM 0 HG23 VAL A 20 27.917 12.877 12.603 1.00 1.00 H new ATOM 102 N SER A 21 28.503 10.929 14.588 1.00 1.00 N ATOM 103 CA SER A 21 28.876 11.647 15.838 1.00 1.00 C ATOM 104 C SER A 21 30.339 12.088 15.768 1.00 1.00 C ATOM 105 O SER A 21 31.246 11.296 15.928 1.00 1.00 O ATOM 106 CB SER A 21 28.682 10.718 17.037 1.00 1.00 C ATOM 107 OG SER A 21 27.669 11.248 17.882 1.00 1.00 O ATOM 0 H SER A 21 29.232 10.336 14.191 1.00 1.00 H new ATOM 0 HA SER A 21 28.241 12.526 15.949 1.00 1.00 H new ATOM 0 HB2 SER A 21 28.403 9.720 16.698 1.00 1.00 H new ATOM 0 HB3 SER A 21 29.617 10.618 17.589 1.00 1.00 H new ATOM 0 HG SER A 21 27.541 10.654 18.651 1.00 1.00 H new ATOM 108 N ASN A 22 30.571 13.350 15.537 1.00 1.00 N ATOM 109 CA ASN A 22 31.970 13.855 15.464 1.00 1.00 C ATOM 110 C ASN A 22 32.790 13.236 16.601 1.00 1.00 C ATOM 111 O ASN A 22 32.249 12.725 17.561 1.00 1.00 O ATOM 112 CB ASN A 22 31.945 15.384 15.591 1.00 1.00 C ATOM 113 CG ASN A 22 33.265 15.901 16.171 1.00 1.00 C ATOM 114 OD1 ASN A 22 34.304 15.748 15.568 1.00 1.00 O ATOM 115 ND2 ASN A 22 33.264 16.512 17.325 1.00 1.00 N ATOM 0 H ASN A 22 29.849 14.056 15.395 1.00 1.00 H new ATOM 0 HA ASN A 22 32.427 13.579 14.514 1.00 1.00 H new ATOM 0 HB2 ASN A 22 31.772 15.832 14.613 1.00 1.00 H new ATOM 0 HB3 ASN A 22 31.117 15.687 16.232 1.00 1.00 H new ATOM 0 HD21 ASN A 22 34.138 16.860 17.718 1.00 1.00 H new ATOM 0 HD22 ASN A 22 32.389 16.641 17.833 1.00 1.00 H new ATOM 116 N LYS A 23 34.092 13.273 16.500 1.00 1.00 N ATOM 117 CA LYS A 23 34.933 12.682 17.575 1.00 1.00 C ATOM 118 C LYS A 23 36.080 13.633 17.938 1.00 1.00 C ATOM 119 O LYS A 23 36.334 13.889 19.098 1.00 1.00 O ATOM 120 CB LYS A 23 35.512 11.350 17.095 1.00 1.00 C ATOM 121 CG LYS A 23 35.947 10.520 18.304 1.00 1.00 C ATOM 122 CD LYS A 23 35.729 9.035 18.010 1.00 1.00 C ATOM 123 CE LYS A 23 34.443 8.563 18.690 1.00 1.00 C ATOM 124 NZ LYS A 23 33.946 7.332 18.013 1.00 1.00 N ATOM 0 H LYS A 23 34.606 13.686 15.722 1.00 1.00 H new ATOM 0 HA LYS A 23 34.314 12.520 18.457 1.00 1.00 H new ATOM 0 HB2 LYS A 23 34.767 10.805 16.515 1.00 1.00 H new ATOM 0 HB3 LYS A 23 36.362 11.527 16.436 1.00 1.00 H new ATOM 0 HG2 LYS A 23 36.997 10.707 18.527 1.00 1.00 H new ATOM 0 HG3 LYS A 23 35.376 10.815 19.185 1.00 1.00 H new ATOM 0 HD2 LYS A 23 35.665 8.872 16.934 1.00 1.00 H new ATOM 0 HD3 LYS A 23 36.578 8.454 18.370 1.00 1.00 H new ATOM 0 HE2 LYS A 23 34.630 8.361 19.745 1.00 1.00 H new ATOM 0 HE3 LYS A 23 33.686 9.346 18.645 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 33.071 7.011 18.475 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 33.753 7.540 17.013 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 34.667 6.585 18.078 1.00 1.00 H new ATOM 125 N TYR A 24 36.789 14.146 16.967 1.00 1.00 N ATOM 126 CA TYR A 24 37.924 15.056 17.295 1.00 1.00 C ATOM 127 C TYR A 24 38.079 16.162 16.241 1.00 1.00 C ATOM 128 O TYR A 24 39.181 16.499 15.856 1.00 1.00 O ATOM 129 CB TYR A 24 39.216 14.240 17.355 1.00 1.00 C ATOM 130 CG TYR A 24 39.189 13.177 16.283 1.00 1.00 C ATOM 131 CD1 TYR A 24 39.335 13.536 14.937 1.00 1.00 C ATOM 132 CD2 TYR A 24 39.017 11.832 16.635 1.00 1.00 C ATOM 133 CE1 TYR A 24 39.310 12.550 13.942 1.00 1.00 C ATOM 134 CE2 TYR A 24 38.991 10.845 15.640 1.00 1.00 C ATOM 135 CZ TYR A 24 39.138 11.204 14.293 1.00 1.00 C ATOM 136 OH TYR A 24 39.112 10.233 13.313 1.00 1.00 O ATOM 0 H TYR A 24 36.634 13.977 15.973 1.00 1.00 H new ATOM 0 HA TYR A 24 37.719 15.526 18.257 1.00 1.00 H new ATOM 0 HB2 TYR A 24 40.078 14.892 17.214 1.00 1.00 H new ATOM 0 HB3 TYR A 24 39.323 13.779 18.337 1.00 1.00 H new ATOM 0 HD1 TYR A 24 39.467 14.573 14.666 1.00 1.00 H new ATOM 0 HD2 TYR A 24 38.904 11.556 17.673 1.00 1.00 H new ATOM 0 HE1 TYR A 24 39.423 12.827 12.904 1.00 1.00 H new ATOM 0 HE2 TYR A 24 38.858 9.808 15.911 1.00 1.00 H new ATOM 0 HH TYR A 24 38.986 9.354 13.727 1.00 1.00 H new ATOM 137 N PHE A 25 37.006 16.757 15.791 1.00 1.00 N ATOM 138 CA PHE A 25 37.150 17.859 14.795 1.00 1.00 C ATOM 139 C PHE A 25 36.514 19.134 15.356 1.00 1.00 C ATOM 140 O PHE A 25 36.130 20.021 14.619 1.00 1.00 O ATOM 141 CB PHE A 25 36.490 17.517 13.449 1.00 1.00 C ATOM 142 CG PHE A 25 35.892 16.129 13.448 1.00 1.00 C ATOM 143 CD1 PHE A 25 36.661 15.018 13.821 1.00 1.00 C ATOM 144 CD2 PHE A 25 34.561 15.955 13.044 1.00 1.00 C ATOM 145 CE1 PHE A 25 36.095 13.735 13.793 1.00 1.00 C ATOM 146 CE2 PHE A 25 33.996 14.675 13.020 1.00 1.00 C ATOM 147 CZ PHE A 25 34.762 13.565 13.394 1.00 1.00 C ATOM 0 H PHE A 25 36.049 16.532 16.065 1.00 1.00 H new ATOM 0 HA PHE A 25 38.215 18.004 14.616 1.00 1.00 H new ATOM 0 HB2 PHE A 25 35.711 18.248 13.231 1.00 1.00 H new ATOM 0 HB3 PHE A 25 37.230 17.593 12.653 1.00 1.00 H new ATOM 0 HD1 PHE A 25 37.688 15.150 14.129 1.00 1.00 H new ATOM 0 HD2 PHE A 25 33.971 16.810 12.751 1.00 1.00 H new ATOM 0 HE1 PHE A 25 36.686 12.878 14.079 1.00 1.00 H new ATOM 0 HE2 PHE A 25 32.969 14.544 12.713 1.00 1.00 H new ATOM 0 HZ PHE A 25 34.326 12.577 13.375 1.00 1.00 H new ATOM 148 N SER A 26 36.414 19.234 16.656 1.00 1.00 N ATOM 149 CA SER A 26 35.821 20.455 17.283 1.00 1.00 C ATOM 150 C SER A 26 34.290 20.391 17.248 1.00 1.00 C ATOM 151 O SER A 26 33.644 21.187 16.598 1.00 1.00 O ATOM 152 CB SER A 26 36.294 21.698 16.530 1.00 1.00 C ATOM 153 OG SER A 26 36.547 22.743 17.459 1.00 1.00 O ATOM 0 H SER A 26 36.719 18.518 17.315 1.00 1.00 H new ATOM 0 HA SER A 26 36.146 20.505 18.322 1.00 1.00 H new ATOM 0 HB2 SER A 26 37.198 21.472 15.964 1.00 1.00 H new ATOM 0 HB3 SER A 26 35.537 22.011 15.810 1.00 1.00 H new ATOM 0 HG SER A 26 36.852 23.541 16.979 1.00 1.00 H new ATOM 154 N ASN A 27 33.705 19.463 17.957 1.00 1.00 N ATOM 155 CA ASN A 27 32.215 19.359 17.979 1.00 1.00 C ATOM 156 C ASN A 27 31.664 19.461 16.556 1.00 1.00 C ATOM 157 O ASN A 27 31.487 20.537 16.021 1.00 1.00 O ATOM 158 CB ASN A 27 31.634 20.491 18.830 1.00 1.00 C ATOM 159 CG ASN A 27 31.167 19.931 20.175 1.00 1.00 C ATOM 160 OD1 ASN A 27 31.957 19.407 20.935 1.00 1.00 O ATOM 161 ND2 ASN A 27 29.907 20.020 20.504 1.00 1.00 N ATOM 0 H ASN A 27 34.195 18.771 18.523 1.00 1.00 H new ATOM 0 HA ASN A 27 31.932 18.397 18.407 1.00 1.00 H new ATOM 0 HB2 ASN A 27 32.386 21.264 18.987 1.00 1.00 H new ATOM 0 HB3 ASN A 27 30.799 20.960 18.309 1.00 1.00 H new ATOM 0 HD21 ASN A 27 29.586 19.650 21.399 1.00 1.00 H new ATOM 0 HD22 ASN A 27 29.243 20.460 19.866 1.00 1.00 H new ATOM 162 N ILE A 28 31.386 18.346 15.943 1.00 1.00 N ATOM 163 CA ILE A 28 30.842 18.370 14.556 1.00 1.00 C ATOM 164 C ILE A 28 29.854 17.215 14.366 1.00 1.00 C ATOM 165 O ILE A 28 30.066 16.334 13.560 1.00 1.00 O ATOM 166 CB ILE A 28 31.990 18.229 13.554 1.00 1.00 C ATOM 167 CG1 ILE A 28 33.137 19.151 13.967 1.00 1.00 C ATOM 168 CG2 ILE A 28 31.502 18.623 12.159 1.00 1.00 C ATOM 169 CD1 ILE A 28 32.716 20.606 13.764 1.00 1.00 C ATOM 0 H ILE A 28 31.512 17.416 16.343 1.00 1.00 H new ATOM 0 HA ILE A 28 30.326 19.316 14.389 1.00 1.00 H new ATOM 0 HB ILE A 28 32.336 17.195 13.540 1.00 1.00 H new ATOM 0 HG12 ILE A 28 33.399 18.979 15.011 1.00 1.00 H new ATOM 0 HG13 ILE A 28 34.026 18.932 13.375 1.00 1.00 H new ATOM 0 HG21 ILE A 28 32.320 18.522 11.446 1.00 1.00 H new ATOM 0 HG22 ILE A 28 30.680 17.971 11.863 1.00 1.00 H new ATOM 0 HG23 ILE A 28 31.157 19.657 12.173 1.00 1.00 H new ATOM 0 HD11 ILE A 28 33.533 21.265 14.058 1.00 1.00 H new ATOM 0 HD12 ILE A 28 32.476 20.772 12.714 1.00 1.00 H new ATOM 0 HD13 ILE A 28 31.839 20.820 14.375 1.00 1.00 H new ATOM 170 N HIS A 29 28.772 17.215 15.094 1.00 1.00 N ATOM 171 CA HIS A 29 27.772 16.118 14.938 1.00 1.00 C ATOM 172 C HIS A 29 26.712 16.556 13.924 1.00 1.00 C ATOM 173 O HIS A 29 26.296 17.697 13.907 1.00 1.00 O ATOM 174 CB HIS A 29 27.105 15.833 16.287 1.00 1.00 C ATOM 175 CG HIS A 29 26.820 17.130 16.993 1.00 1.00 C ATOM 176 ND1 HIS A 29 27.419 17.463 18.198 1.00 1.00 N ATOM 177 CD2 HIS A 29 26.004 18.187 16.676 1.00 1.00 C ATOM 178 CE1 HIS A 29 26.959 18.674 18.559 1.00 1.00 C ATOM 179 NE2 HIS A 29 26.093 19.161 17.666 1.00 1.00 N ATOM 0 H HIS A 29 28.536 17.924 15.788 1.00 1.00 H new ATOM 0 HA HIS A 29 28.268 15.213 14.588 1.00 1.00 H new ATOM 0 HB2 HIS A 29 26.179 15.278 16.136 1.00 1.00 H new ATOM 0 HB3 HIS A 29 27.754 15.208 16.900 1.00 1.00 H new ATOM 0 HD2 HIS A 29 25.387 18.253 15.792 1.00 1.00 H new ATOM 0 HE1 HIS A 29 27.254 19.190 19.461 1.00 1.00 H new ATOM 0 HE2 HIS A 29 25.602 20.055 17.702 1.00 1.00 H new ATOM 180 N TRP A 30 26.274 15.668 13.071 1.00 1.00 N ATOM 181 CA TRP A 30 25.247 16.060 12.064 1.00 1.00 C ATOM 182 C TRP A 30 24.436 14.832 11.636 1.00 1.00 C ATOM 183 O TRP A 30 24.918 13.718 11.659 1.00 1.00 O ATOM 184 CB TRP A 30 25.941 16.676 10.845 1.00 1.00 C ATOM 185 CG TRP A 30 26.837 15.666 10.202 1.00 1.00 C ATOM 186 CD1 TRP A 30 26.441 14.723 9.317 1.00 1.00 C ATOM 187 CD2 TRP A 30 28.270 15.489 10.374 1.00 1.00 C ATOM 188 NE1 TRP A 30 27.543 13.977 8.935 1.00 1.00 N ATOM 189 CE2 TRP A 30 28.694 14.411 9.562 1.00 1.00 C ATOM 190 CE3 TRP A 30 29.231 16.156 11.150 1.00 1.00 C ATOM 191 CZ2 TRP A 30 30.031 14.008 9.524 1.00 1.00 C ATOM 192 CZ3 TRP A 30 30.579 15.754 11.117 1.00 1.00 C ATOM 193 CH2 TRP A 30 30.977 14.682 10.304 1.00 1.00 C ATOM 0 H TRP A 30 26.580 14.696 13.028 1.00 1.00 H new ATOM 0 HA TRP A 30 24.570 16.791 12.505 1.00 1.00 H new ATOM 0 HB2 TRP A 30 25.196 17.022 10.128 1.00 1.00 H new ATOM 0 HB3 TRP A 30 26.521 17.548 11.148 1.00 1.00 H new ATOM 0 HD1 TRP A 30 25.430 14.576 8.966 1.00 1.00 H new ATOM 0 HE1 TRP A 30 27.509 13.202 8.272 1.00 1.00 H new ATOM 0 HE3 TRP A 30 28.934 16.984 11.777 1.00 1.00 H new ATOM 0 HZ2 TRP A 30 30.332 13.182 8.897 1.00 1.00 H new ATOM 0 HZ3 TRP A 30 31.310 16.273 11.720 1.00 1.00 H new ATOM 0 HH2 TRP A 30 32.013 14.377 10.280 1.00 1.00 H new ATOM 194 N CYS A 31 23.203 15.034 11.252 1.00 1.00 N ATOM 195 CA CYS A 31 22.349 13.886 10.827 1.00 1.00 C ATOM 196 C CYS A 31 22.814 13.373 9.462 1.00 1.00 C ATOM 197 O CYS A 31 23.414 14.093 8.690 1.00 1.00 O ATOM 198 CB CYS A 31 20.894 14.349 10.723 1.00 1.00 C ATOM 199 SG CYS A 31 20.402 14.395 8.982 1.00 1.00 S ATOM 0 H CYS A 31 22.750 15.947 11.214 1.00 1.00 H new ATOM 0 HA CYS A 31 22.430 13.085 11.561 1.00 1.00 H new ATOM 0 HB2 CYS A 31 20.245 13.672 11.278 1.00 1.00 H new ATOM 0 HB3 CYS A 31 20.782 15.337 11.170 1.00 1.00 H new ATOM 200 N ASN A 32 22.538 12.134 9.157 1.00 1.00 N ATOM 201 CA ASN A 32 22.965 11.581 7.841 1.00 1.00 C ATOM 202 C ASN A 32 21.818 10.783 7.213 1.00 1.00 C ATOM 203 O ASN A 32 21.938 9.597 6.973 1.00 1.00 O ATOM 204 CB ASN A 32 24.168 10.657 8.042 1.00 1.00 C ATOM 205 CG ASN A 32 25.092 10.750 6.826 1.00 1.00 C ATOM 206 OD1 ASN A 32 24.651 11.053 5.735 1.00 1.00 O ATOM 207 ND2 ASN A 32 26.364 10.498 6.970 1.00 1.00 N ATOM 0 H ASN A 32 22.037 11.483 9.761 1.00 1.00 H new ATOM 0 HA ASN A 32 23.237 12.404 7.180 1.00 1.00 H new ATOM 0 HB2 ASN A 32 24.709 10.938 8.945 1.00 1.00 H new ATOM 0 HB3 ASN A 32 23.832 9.629 8.179 1.00 1.00 H new ATOM 0 HD21 ASN A 32 26.989 10.555 6.166 1.00 1.00 H new ATOM 0 HD22 ASN A 32 26.733 10.244 7.886 1.00 1.00 H new ATOM 208 N CYS A 33 20.709 11.416 6.935 1.00 1.00 N ATOM 209 CA CYS A 33 19.575 10.675 6.312 1.00 1.00 C ATOM 210 C CYS A 33 19.758 10.667 4.791 1.00 1.00 C ATOM 211 O CYS A 33 20.464 11.497 4.252 1.00 1.00 O ATOM 212 CB CYS A 33 18.244 11.346 6.671 1.00 1.00 C ATOM 213 SG CYS A 33 18.397 13.143 6.516 1.00 1.00 S ATOM 0 H CYS A 33 20.540 12.406 7.111 1.00 1.00 H new ATOM 0 HA CYS A 33 19.562 9.652 6.687 1.00 1.00 H new ATOM 0 HB2 CYS A 33 17.454 10.982 6.014 1.00 1.00 H new ATOM 0 HB3 CYS A 33 17.958 11.083 7.689 1.00 1.00 H new ATOM 214 N PRO A 34 19.123 9.722 4.143 1.00 1.00 N ATOM 215 CA PRO A 34 19.213 9.586 2.696 1.00 1.00 C ATOM 216 C PRO A 34 18.495 10.745 2.002 1.00 1.00 C ATOM 217 O PRO A 34 17.714 11.455 2.603 1.00 1.00 O ATOM 218 CB PRO A 34 18.521 8.260 2.393 1.00 1.00 C ATOM 219 CG PRO A 34 17.558 8.065 3.606 1.00 1.00 C ATOM 220 CD PRO A 34 18.271 8.731 4.817 1.00 1.00 C ATOM 0 HA PRO A 34 20.243 9.605 2.339 1.00 1.00 H new ATOM 0 HB2 PRO A 34 17.976 8.298 1.450 1.00 1.00 H new ATOM 0 HB3 PRO A 34 19.237 7.442 2.314 1.00 1.00 H new ATOM 0 HG2 PRO A 34 16.590 8.530 3.417 1.00 1.00 H new ATOM 0 HG3 PRO A 34 17.373 7.007 3.793 1.00 1.00 H new ATOM 0 HD2 PRO A 34 17.565 9.196 5.504 1.00 1.00 H new ATOM 0 HD3 PRO A 34 18.854 8.014 5.396 1.00 1.00 H new ATOM 221 N LYS A 35 18.756 10.941 0.738 1.00 1.00 N ATOM 222 CA LYS A 35 18.091 12.052 0.001 1.00 1.00 C ATOM 223 C LYS A 35 16.594 11.762 -0.102 1.00 1.00 C ATOM 224 O LYS A 35 15.790 12.650 -0.306 1.00 1.00 O ATOM 225 CB LYS A 35 18.687 12.160 -1.404 1.00 1.00 C ATOM 226 CG LYS A 35 18.262 10.947 -2.234 1.00 1.00 C ATOM 227 CD LYS A 35 18.814 11.081 -3.655 1.00 1.00 C ATOM 228 CE LYS A 35 17.829 11.878 -4.512 1.00 1.00 C ATOM 229 NZ LYS A 35 17.796 11.310 -5.889 1.00 1.00 N ATOM 0 H LYS A 35 19.402 10.379 0.184 1.00 1.00 H new ATOM 0 HA LYS A 35 18.247 12.990 0.534 1.00 1.00 H new ATOM 0 HB2 LYS A 35 18.349 13.079 -1.884 1.00 1.00 H new ATOM 0 HB3 LYS A 35 19.774 12.211 -1.346 1.00 1.00 H new ATOM 0 HG2 LYS A 35 18.632 10.031 -1.774 1.00 1.00 H new ATOM 0 HG3 LYS A 35 17.175 10.874 -2.260 1.00 1.00 H new ATOM 0 HD2 LYS A 35 19.782 11.581 -3.635 1.00 1.00 H new ATOM 0 HD3 LYS A 35 18.974 10.094 -4.089 1.00 1.00 H new ATOM 0 HE2 LYS A 35 16.834 11.843 -4.069 1.00 1.00 H new ATOM 0 HE3 LYS A 35 18.126 12.926 -4.547 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 17.126 11.852 -6.472 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 18.745 11.365 -6.310 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 17.493 10.316 -5.847 1.00 1.00 H new ATOM 230 N LYS A 36 16.214 10.522 0.038 1.00 1.00 N ATOM 231 CA LYS A 36 14.770 10.170 -0.051 1.00 1.00 C ATOM 232 C LYS A 36 14.109 10.389 1.312 1.00 1.00 C ATOM 233 O LYS A 36 12.984 9.990 1.539 1.00 1.00 O ATOM 234 CB LYS A 36 14.627 8.701 -0.455 1.00 1.00 C ATOM 235 CG LYS A 36 15.446 7.828 0.498 1.00 1.00 C ATOM 236 CD LYS A 36 14.573 6.688 1.026 1.00 1.00 C ATOM 237 CE LYS A 36 15.186 5.345 0.623 1.00 1.00 C ATOM 238 NZ LYS A 36 14.798 4.304 1.616 1.00 1.00 N ATOM 0 H LYS A 36 16.842 9.737 0.210 1.00 1.00 H new ATOM 0 HA LYS A 36 14.287 10.801 -0.797 1.00 1.00 H new ATOM 0 HB2 LYS A 36 13.578 8.405 -0.426 1.00 1.00 H new ATOM 0 HB3 LYS A 36 14.970 8.560 -1.480 1.00 1.00 H new ATOM 0 HG2 LYS A 36 16.316 7.424 -0.020 1.00 1.00 H new ATOM 0 HG3 LYS A 36 15.819 8.428 1.328 1.00 1.00 H new ATOM 0 HD2 LYS A 36 14.491 6.751 2.111 1.00 1.00 H new ATOM 0 HD3 LYS A 36 13.563 6.774 0.625 1.00 1.00 H new ATOM 0 HE2 LYS A 36 14.843 5.060 -0.371 1.00 1.00 H new ATOM 0 HE3 LYS A 36 16.272 5.429 0.573 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 15.214 3.391 1.343 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 15.146 4.575 2.558 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 13.762 4.218 1.642 1.00 1.00 H new ATOM 239 N PHE A 37 14.802 11.018 2.223 1.00 1.00 N ATOM 240 CA PHE A 37 14.215 11.259 3.571 1.00 1.00 C ATOM 241 C PHE A 37 13.960 12.755 3.761 1.00 1.00 C ATOM 242 O PHE A 37 14.371 13.573 2.962 1.00 1.00 O ATOM 243 CB PHE A 37 15.190 10.775 4.648 1.00 1.00 C ATOM 244 CG PHE A 37 14.921 9.322 4.972 1.00 1.00 C ATOM 245 CD1 PHE A 37 14.243 8.507 4.053 1.00 1.00 C ATOM 246 CD2 PHE A 37 15.351 8.791 6.194 1.00 1.00 C ATOM 247 CE1 PHE A 37 13.998 7.162 4.359 1.00 1.00 C ATOM 248 CE2 PHE A 37 15.106 7.446 6.499 1.00 1.00 C ATOM 249 CZ PHE A 37 14.429 6.631 5.582 1.00 1.00 C ATOM 0 H PHE A 37 15.748 11.375 2.091 1.00 1.00 H new ATOM 0 HA PHE A 37 13.275 10.714 3.655 1.00 1.00 H new ATOM 0 HB2 PHE A 37 16.217 10.895 4.302 1.00 1.00 H new ATOM 0 HB3 PHE A 37 15.083 11.383 5.547 1.00 1.00 H new ATOM 0 HD1 PHE A 37 13.910 8.916 3.111 1.00 1.00 H new ATOM 0 HD2 PHE A 37 15.872 9.419 6.902 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.477 6.534 3.652 1.00 1.00 H new ATOM 0 HE2 PHE A 37 15.439 7.037 7.441 1.00 1.00 H new ATOM 0 HZ PHE A 37 14.240 5.594 5.818 1.00 1.00 H new ATOM 250 N GLY A 38 13.285 13.117 4.817 1.00 1.00 N ATOM 251 CA GLY A 38 13.002 14.557 5.070 1.00 1.00 C ATOM 252 C GLY A 38 12.045 14.683 6.256 1.00 1.00 C ATOM 253 O GLY A 38 11.713 13.710 6.902 1.00 1.00 O ATOM 0 H GLY A 38 12.916 12.474 5.518 1.00 1.00 H new ATOM 0 HA2 GLY A 38 13.929 15.091 5.278 1.00 1.00 H new ATOM 0 HA3 GLY A 38 12.563 15.014 4.183 1.00 1.00 H new ATOM 254 N GLY A 39 11.598 15.872 6.549 1.00 1.00 N ATOM 255 CA GLY A 39 10.663 16.052 7.694 1.00 1.00 C ATOM 256 C GLY A 39 11.452 16.327 8.971 1.00 1.00 C ATOM 257 O GLY A 39 11.989 15.426 9.580 1.00 1.00 O ATOM 0 H GLY A 39 11.839 16.726 6.046 1.00 1.00 H new ATOM 0 HA2 GLY A 39 9.982 16.879 7.492 1.00 1.00 H new ATOM 0 HA3 GLY A 39 10.052 15.158 7.819 1.00 1.00 H new ATOM 258 N GLN A 40 11.509 17.571 9.375 1.00 1.00 N ATOM 259 CA GLN A 40 12.244 17.949 10.621 1.00 1.00 C ATOM 260 C GLN A 40 13.493 17.081 10.802 1.00 1.00 C ATOM 261 O GLN A 40 14.574 17.432 10.374 1.00 1.00 O ATOM 262 CB GLN A 40 11.321 17.765 11.827 1.00 1.00 C ATOM 263 CG GLN A 40 10.809 19.130 12.291 1.00 1.00 C ATOM 264 CD GLN A 40 11.266 19.386 13.728 1.00 1.00 C ATOM 265 OE1 GLN A 40 12.217 20.107 13.957 1.00 1.00 O ATOM 266 NE2 GLN A 40 10.623 18.823 14.714 1.00 1.00 N ATOM 0 H GLN A 40 11.071 18.352 8.887 1.00 1.00 H new ATOM 0 HA GLN A 40 12.554 18.991 10.540 1.00 1.00 H new ATOM 0 HB2 GLN A 40 10.482 17.121 11.562 1.00 1.00 H new ATOM 0 HB3 GLN A 40 11.858 17.271 12.637 1.00 1.00 H new ATOM 0 HG2 GLN A 40 11.185 19.914 11.634 1.00 1.00 H new ATOM 0 HG3 GLN A 40 9.721 19.161 12.233 1.00 1.00 H new ATOM 0 HE21 GLN A 40 9.825 18.218 14.523 1.00 1.00 H new ATOM 0 HE22 GLN A 40 10.919 18.988 15.676 1.00 1.00 H new ATOM 267 N HIS A 41 13.350 15.952 11.441 1.00 1.00 N ATOM 268 CA HIS A 41 14.524 15.061 11.660 1.00 1.00 C ATOM 269 C HIS A 41 14.510 13.935 10.627 1.00 1.00 C ATOM 270 O HIS A 41 14.622 12.773 10.962 1.00 1.00 O ATOM 271 CB HIS A 41 14.455 14.464 13.067 1.00 1.00 C ATOM 272 CG HIS A 41 14.166 15.554 14.061 1.00 1.00 C ATOM 273 ND1 HIS A 41 14.582 16.862 13.865 1.00 1.00 N ATOM 274 CD2 HIS A 41 13.504 15.548 15.264 1.00 1.00 C ATOM 275 CE1 HIS A 41 14.170 17.581 14.925 1.00 1.00 C ATOM 276 NE2 HIS A 41 13.508 16.829 15.808 1.00 1.00 N ATOM 0 H HIS A 41 12.468 15.608 11.822 1.00 1.00 H new ATOM 0 HA HIS A 41 15.443 15.638 11.555 1.00 1.00 H new ATOM 0 HB2 HIS A 41 13.678 13.701 13.112 1.00 1.00 H new ATOM 0 HB3 HIS A 41 15.397 13.974 13.312 1.00 1.00 H new ATOM 0 HD2 HIS A 41 13.049 14.681 15.719 1.00 1.00 H new ATOM 0 HE1 HIS A 41 14.353 18.638 15.047 1.00 1.00 H new ATOM 0 HE2 HIS A 41 13.094 17.129 16.691 1.00 1.00 H new ATOM 277 N CYS A 42 14.372 14.272 9.375 1.00 1.00 N ATOM 278 CA CYS A 42 14.351 13.226 8.313 1.00 1.00 C ATOM 279 C CYS A 42 13.516 12.033 8.783 1.00 1.00 C ATOM 280 O CYS A 42 13.993 10.915 8.841 1.00 1.00 O ATOM 281 CB CYS A 42 15.782 12.766 8.014 1.00 1.00 C ATOM 282 SG CYS A 42 16.504 13.823 6.731 1.00 1.00 S ATOM 0 H CYS A 42 14.272 15.230 9.040 1.00 1.00 H new ATOM 0 HA CYS A 42 13.909 13.641 7.407 1.00 1.00 H new ATOM 0 HB2 CYS A 42 16.386 12.812 8.920 1.00 1.00 H new ATOM 0 HB3 CYS A 42 15.780 11.727 7.685 1.00 1.00 H new ATOM 283 N GLU A 43 12.272 12.266 9.115 1.00 1.00 N ATOM 284 CA GLU A 43 11.389 11.152 9.575 1.00 1.00 C ATOM 285 C GLU A 43 10.356 10.850 8.488 1.00 1.00 C ATOM 286 O GLU A 43 9.297 10.318 8.756 1.00 1.00 O ATOM 287 CB GLU A 43 10.651 11.552 10.862 1.00 1.00 C ATOM 288 CG GLU A 43 10.633 13.077 11.007 1.00 1.00 C ATOM 289 CD GLU A 43 9.764 13.467 12.204 1.00 1.00 C ATOM 290 OE1 GLU A 43 9.744 12.717 13.166 1.00 1.00 O ATOM 291 OE2 GLU A 43 9.133 14.509 12.138 1.00 1.00 O ATOM 0 H GLU A 43 11.828 13.184 9.087 1.00 1.00 H new ATOM 0 HA GLU A 43 12.003 10.273 9.772 1.00 1.00 H new ATOM 0 HB2 GLU A 43 9.631 11.169 10.839 1.00 1.00 H new ATOM 0 HB3 GLU A 43 11.141 11.103 11.726 1.00 1.00 H new ATOM 0 HG2 GLU A 43 11.647 13.452 11.143 1.00 1.00 H new ATOM 0 HG3 GLU A 43 10.244 13.535 10.097 1.00 1.00 H new ATOM 292 N ILE A 44 10.650 11.194 7.265 1.00 1.00 N ATOM 293 CA ILE A 44 9.679 10.935 6.165 1.00 1.00 C ATOM 294 C ILE A 44 10.430 10.466 4.918 1.00 1.00 C ATOM 295 O ILE A 44 11.395 11.073 4.499 1.00 1.00 O ATOM 296 CB ILE A 44 8.918 12.225 5.847 1.00 1.00 C ATOM 297 CG1 ILE A 44 8.751 13.048 7.127 1.00 1.00 C ATOM 298 CG2 ILE A 44 7.539 11.880 5.281 1.00 1.00 C ATOM 299 CD1 ILE A 44 7.911 14.292 6.831 1.00 1.00 C ATOM 0 H ILE A 44 11.520 11.643 6.980 1.00 1.00 H new ATOM 0 HA ILE A 44 8.976 10.162 6.475 1.00 1.00 H new ATOM 0 HB ILE A 44 9.478 12.803 5.112 1.00 1.00 H new ATOM 0 HG12 ILE A 44 8.269 12.447 7.898 1.00 1.00 H new ATOM 0 HG13 ILE A 44 9.727 13.340 7.514 1.00 1.00 H new ATOM 0 HG21 ILE A 44 6.998 12.799 5.055 1.00 1.00 H new ATOM 0 HG22 ILE A 44 7.656 11.294 4.369 1.00 1.00 H new ATOM 0 HG23 ILE A 44 6.979 11.301 6.015 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.793 14.877 7.743 1.00 1.00 H new ATOM 0 HD12 ILE A 44 8.411 14.897 6.074 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.930 13.990 6.464 1.00 1.00 H new ATOM 300 N ASP A 45 9.994 9.391 4.320 1.00 1.00 N ATOM 301 CA ASP A 45 10.684 8.885 3.100 1.00 1.00 C ATOM 302 C ASP A 45 9.983 9.429 1.854 1.00 1.00 C ATOM 303 O ASP A 45 9.065 8.827 1.334 1.00 1.00 O ATOM 304 CB ASP A 45 10.635 7.356 3.084 1.00 1.00 C ATOM 305 CG ASP A 45 11.188 6.812 4.403 1.00 1.00 C ATOM 306 OD1 ASP A 45 11.582 7.615 5.232 1.00 1.00 O ATOM 307 OD2 ASP A 45 11.208 5.603 4.560 1.00 1.00 O ATOM 0 H ASP A 45 9.190 8.842 4.624 1.00 1.00 H new ATOM 0 HA ASP A 45 11.722 9.216 3.107 1.00 1.00 H new ATOM 0 HB2 ASP A 45 9.609 7.016 2.940 1.00 1.00 H new ATOM 0 HB3 ASP A 45 11.218 6.972 2.247 1.00 1.00 H new ATOM 308 N LYS A 46 10.408 10.564 1.369 1.00 1.00 N ATOM 309 CA LYS A 46 9.764 11.142 0.156 1.00 1.00 C ATOM 310 C LYS A 46 9.814 10.120 -0.981 1.00 1.00 C ATOM 311 O LYS A 46 10.260 9.004 -0.806 1.00 1.00 O ATOM 312 CB LYS A 46 10.510 12.409 -0.263 1.00 1.00 C ATOM 313 CG LYS A 46 10.447 13.435 0.870 1.00 1.00 C ATOM 314 CD LYS A 46 11.261 14.672 0.487 1.00 1.00 C ATOM 315 CE LYS A 46 11.887 15.276 1.744 1.00 1.00 C ATOM 316 NZ LYS A 46 13.267 15.749 1.436 1.00 1.00 N ATOM 0 H LYS A 46 11.172 11.115 1.760 1.00 1.00 H new ATOM 0 HA LYS A 46 8.726 11.390 0.378 1.00 1.00 H new ATOM 0 HB2 LYS A 46 11.548 12.172 -0.497 1.00 1.00 H new ATOM 0 HB3 LYS A 46 10.066 12.823 -1.168 1.00 1.00 H new ATOM 0 HG2 LYS A 46 9.411 13.714 1.064 1.00 1.00 H new ATOM 0 HG3 LYS A 46 10.838 13.000 1.790 1.00 1.00 H new ATOM 0 HD2 LYS A 46 12.039 14.402 -0.227 1.00 1.00 H new ATOM 0 HD3 LYS A 46 10.620 15.406 -0.002 1.00 1.00 H new ATOM 0 HE2 LYS A 46 11.279 16.106 2.103 1.00 1.00 H new ATOM 0 HE3 LYS A 46 11.915 14.533 2.541 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 13.958 15.053 1.782 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 13.374 15.861 0.408 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 13.433 16.663 1.903 1.00 1.00 H new ATOM 370 N ASN A 54 2.187 10.768 2.222 1.00 1.00 N ATOM 371 CA ASN A 54 0.773 11.142 2.504 1.00 1.00 C ATOM 372 C ASN A 54 0.160 11.786 1.257 1.00 1.00 C ATOM 373 O ASN A 54 -0.815 11.304 0.715 1.00 1.00 O ATOM 374 CB ASN A 54 0.730 12.132 3.670 1.00 1.00 C ATOM 375 CG ASN A 54 1.836 11.787 4.671 1.00 1.00 C ATOM 376 OD1 ASN A 54 2.669 12.614 4.982 1.00 1.00 O ATOM 377 ND2 ASN A 54 1.878 10.591 5.192 1.00 1.00 N ATOM 0 HA ASN A 54 0.204 10.250 2.768 1.00 1.00 H new ATOM 0 HB2 ASN A 54 0.861 13.150 3.302 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -0.243 12.093 4.159 1.00 1.00 H new ATOM 0 HD21 ASN A 54 2.610 10.351 5.860 1.00 1.00 H new ATOM 0 HD22 ASN A 54 1.178 9.896 4.931 1.00 1.00 H new ATOM 378 N GLY A 55 0.725 12.868 0.793 1.00 1.00 N ATOM 379 CA GLY A 55 0.173 13.531 -0.422 1.00 1.00 C ATOM 380 C GLY A 55 -0.061 15.018 -0.144 1.00 1.00 C ATOM 381 O GLY A 55 -0.339 15.788 -1.042 1.00 1.00 O ATOM 0 H GLY A 55 1.543 13.320 1.202 1.00 1.00 H new ATOM 0 HA2 GLY A 55 0.864 13.413 -1.257 1.00 1.00 H new ATOM 0 HA3 GLY A 55 -0.763 13.055 -0.713 1.00 1.00 H new ATOM 382 N HIS A 56 0.045 15.430 1.090 1.00 1.00 N ATOM 383 CA HIS A 56 -0.177 16.868 1.412 1.00 1.00 C ATOM 384 C HIS A 56 0.622 17.740 0.441 1.00 1.00 C ATOM 385 O HIS A 56 0.299 18.889 0.216 1.00 1.00 O ATOM 386 CB HIS A 56 0.281 17.153 2.843 1.00 1.00 C ATOM 387 CG HIS A 56 0.196 18.631 3.110 1.00 1.00 C ATOM 388 ND1 HIS A 56 -0.872 19.200 3.785 1.00 1.00 N ATOM 389 CD2 HIS A 56 1.037 19.670 2.796 1.00 1.00 C ATOM 390 CE1 HIS A 56 -0.649 20.525 3.855 1.00 1.00 C ATOM 391 NE2 HIS A 56 0.502 20.865 3.268 1.00 1.00 N ATOM 0 H HIS A 56 0.275 14.835 1.886 1.00 1.00 H new ATOM 0 HA HIS A 56 -1.239 17.096 1.319 1.00 1.00 H new ATOM 0 HB2 HIS A 56 -0.343 16.608 3.552 1.00 1.00 H new ATOM 0 HB3 HIS A 56 1.304 16.805 2.985 1.00 1.00 H new ATOM 0 HD2 HIS A 56 1.972 19.574 2.264 1.00 1.00 H new ATOM 0 HE1 HIS A 56 -1.319 21.228 4.328 1.00 1.00 H new ATOM 0 HE2 HIS A 56 0.902 21.799 3.184 1.00 1.00 H new ATOM 392 N PHE A 57 1.664 17.205 -0.136 1.00 1.00 N ATOM 393 CA PHE A 57 2.476 18.008 -1.088 1.00 1.00 C ATOM 394 C PHE A 57 2.284 17.460 -2.507 1.00 1.00 C ATOM 395 O PHE A 57 1.190 17.107 -2.898 1.00 1.00 O ATOM 396 CB PHE A 57 3.952 17.927 -0.689 1.00 1.00 C ATOM 397 CG PHE A 57 4.645 19.209 -1.081 1.00 1.00 C ATOM 398 CD1 PHE A 57 4.200 19.931 -2.196 1.00 1.00 C ATOM 399 CD2 PHE A 57 5.732 19.677 -0.331 1.00 1.00 C ATOM 400 CE1 PHE A 57 4.840 21.123 -2.560 1.00 1.00 C ATOM 401 CE2 PHE A 57 6.372 20.869 -0.695 1.00 1.00 C ATOM 402 CZ PHE A 57 5.926 21.592 -1.809 1.00 1.00 C ATOM 0 H PHE A 57 1.986 16.248 0.012 1.00 1.00 H new ATOM 0 HA PHE A 57 2.155 19.049 -1.061 1.00 1.00 H new ATOM 0 HB2 PHE A 57 4.042 17.765 0.385 1.00 1.00 H new ATOM 0 HB3 PHE A 57 4.427 17.078 -1.180 1.00 1.00 H new ATOM 0 HD1 PHE A 57 3.363 19.569 -2.775 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.076 19.119 0.527 1.00 1.00 H new ATOM 0 HE1 PHE A 57 4.496 21.680 -3.419 1.00 1.00 H new ATOM 0 HE2 PHE A 57 7.209 21.231 -0.117 1.00 1.00 H new ATOM 0 HZ PHE A 57 6.419 22.511 -2.089 1.00 1.00 H new ATOM 403 N TYR A 58 3.332 17.389 -3.284 1.00 1.00 N ATOM 404 CA TYR A 58 3.192 16.867 -4.673 1.00 1.00 C ATOM 405 C TYR A 58 2.278 17.798 -5.473 1.00 1.00 C ATOM 406 O TYR A 58 1.810 18.800 -4.971 1.00 1.00 O ATOM 407 CB TYR A 58 2.585 15.463 -4.633 1.00 1.00 C ATOM 408 CG TYR A 58 3.199 14.620 -5.724 1.00 1.00 C ATOM 409 CD1 TYR A 58 4.580 14.387 -5.736 1.00 1.00 C ATOM 410 CD2 TYR A 58 2.387 14.069 -6.725 1.00 1.00 C ATOM 411 CE1 TYR A 58 5.150 13.604 -6.749 1.00 1.00 C ATOM 412 CE2 TYR A 58 2.957 13.287 -7.738 1.00 1.00 C ATOM 413 CZ TYR A 58 4.339 13.054 -7.750 1.00 1.00 C ATOM 414 OH TYR A 58 4.899 12.283 -8.747 1.00 1.00 O ATOM 0 H TYR A 58 4.276 17.669 -3.017 1.00 1.00 H new ATOM 0 HA TYR A 58 4.172 16.822 -5.147 1.00 1.00 H new ATOM 0 HB2 TYR A 58 2.764 15.005 -3.660 1.00 1.00 H new ATOM 0 HB3 TYR A 58 1.504 15.518 -4.765 1.00 1.00 H new ATOM 0 HD1 TYR A 58 5.206 14.811 -4.964 1.00 1.00 H new ATOM 0 HD2 TYR A 58 1.322 14.247 -6.715 1.00 1.00 H new ATOM 0 HE1 TYR A 58 6.215 13.425 -6.758 1.00 1.00 H new ATOM 0 HE2 TYR A 58 2.331 12.864 -8.510 1.00 1.00 H new ATOM 0 HH TYR A 58 4.197 11.979 -9.359 1.00 1.00 H new ATOM 415 N ARG A 59 2.020 17.478 -6.713 1.00 1.00 N ATOM 416 CA ARG A 59 1.136 18.353 -7.535 1.00 1.00 C ATOM 417 C ARG A 59 0.540 17.546 -8.692 1.00 1.00 C ATOM 418 O ARG A 59 0.279 18.073 -9.755 1.00 1.00 O ATOM 419 CB ARG A 59 1.952 19.518 -8.099 1.00 1.00 C ATOM 420 CG ARG A 59 2.043 20.632 -7.055 1.00 1.00 C ATOM 421 CD ARG A 59 3.476 20.720 -6.529 1.00 1.00 C ATOM 422 NE ARG A 59 4.427 20.701 -7.675 1.00 1.00 N ATOM 423 CZ ARG A 59 4.852 21.823 -8.189 1.00 1.00 C ATOM 424 NH1 ARG A 59 4.128 22.904 -8.085 1.00 1.00 N ATOM 425 NH2 ARG A 59 6.000 21.864 -8.808 1.00 1.00 N ATOM 0 H ARG A 59 2.382 16.652 -7.190 1.00 1.00 H new ATOM 0 HA ARG A 59 0.331 18.738 -6.909 1.00 1.00 H new ATOM 0 HB2 ARG A 59 2.951 19.178 -8.371 1.00 1.00 H new ATOM 0 HB3 ARG A 59 1.485 19.895 -9.009 1.00 1.00 H new ATOM 0 HG2 ARG A 59 1.747 21.584 -7.496 1.00 1.00 H new ATOM 0 HG3 ARG A 59 1.354 20.433 -6.234 1.00 1.00 H new ATOM 0 HD2 ARG A 59 3.607 21.634 -5.949 1.00 1.00 H new ATOM 0 HD3 ARG A 59 3.681 19.885 -5.859 1.00 1.00 H new ATOM 0 HE ARG A 59 4.746 19.811 -8.058 1.00 1.00 H new ATOM 0 HH11 ARG A 59 3.230 22.872 -7.602 1.00 1.00 H new ATOM 0 HH12 ARG A 59 4.460 23.781 -8.487 1.00 1.00 H new ATOM 0 HH21 ARG A 59 6.565 21.019 -8.890 1.00 1.00 H new ATOM 0 HH22 ARG A 59 6.332 22.741 -9.210 1.00 1.00 H new ATOM 426 N GLY A 60 0.320 16.276 -8.497 1.00 1.00 N ATOM 427 CA GLY A 60 -0.262 15.448 -9.591 1.00 1.00 C ATOM 428 C GLY A 60 -1.600 16.049 -10.023 1.00 1.00 C ATOM 429 O GLY A 60 -1.897 17.193 -9.739 1.00 1.00 O ATOM 0 H GLY A 60 0.517 15.776 -7.630 1.00 1.00 H new ATOM 0 HA2 GLY A 60 0.423 15.410 -10.438 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -0.404 14.422 -9.250 1.00 1.00 H new ATOM 430 N LYS A 61 -2.414 15.290 -10.705 1.00 1.00 N ATOM 431 CA LYS A 61 -3.733 15.825 -11.148 1.00 1.00 C ATOM 432 C LYS A 61 -4.839 15.226 -10.275 1.00 1.00 C ATOM 433 O LYS A 61 -5.249 15.810 -9.292 1.00 1.00 O ATOM 434 CB LYS A 61 -3.974 15.450 -12.612 1.00 1.00 C ATOM 435 CG LYS A 61 -3.977 16.716 -13.471 1.00 1.00 C ATOM 436 CD LYS A 61 -4.601 16.408 -14.833 1.00 1.00 C ATOM 437 CE LYS A 61 -5.948 17.124 -14.953 1.00 1.00 C ATOM 438 NZ LYS A 61 -6.585 16.771 -16.253 1.00 1.00 N ATOM 0 H LYS A 61 -2.223 14.325 -10.974 1.00 1.00 H new ATOM 0 HA LYS A 61 -3.738 16.911 -11.051 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -3.197 14.767 -12.956 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -4.925 14.928 -12.712 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -4.539 17.505 -12.972 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -2.959 17.083 -13.600 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.933 16.731 -15.632 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -4.738 15.333 -14.947 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -6.599 16.837 -14.127 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -5.806 18.203 -14.887 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -7.500 17.258 -16.334 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -5.965 17.066 -17.035 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -6.734 15.743 -16.299 1.00 1.00 H new ATOM 439 N ALA A 62 -5.320 14.063 -10.625 1.00 1.00 N ATOM 440 CA ALA A 62 -6.396 13.422 -9.815 1.00 1.00 C ATOM 441 C ALA A 62 -7.429 14.474 -9.407 1.00 1.00 C ATOM 442 O ALA A 62 -7.711 14.661 -8.240 1.00 1.00 O ATOM 443 CB ALA A 62 -5.783 12.797 -8.560 1.00 1.00 C ATOM 0 H ALA A 62 -5.014 13.529 -11.438 1.00 1.00 H new ATOM 0 HA ALA A 62 -6.883 12.648 -10.408 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -6.568 12.328 -7.967 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -5.049 12.045 -8.849 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -5.295 13.572 -7.969 1.00 1.00 H new ATOM 444 N SER A 63 -7.997 15.164 -10.358 1.00 1.00 N ATOM 445 CA SER A 63 -9.010 16.202 -10.020 1.00 1.00 C ATOM 446 C SER A 63 -10.330 15.526 -9.644 1.00 1.00 C ATOM 447 O SER A 63 -11.222 16.147 -9.100 1.00 1.00 O ATOM 448 CB SER A 63 -9.230 17.113 -11.228 1.00 1.00 C ATOM 449 OG SER A 63 -7.981 17.649 -11.645 1.00 1.00 O ATOM 0 H SER A 63 -7.803 15.054 -11.353 1.00 1.00 H new ATOM 0 HA SER A 63 -8.654 16.795 -9.178 1.00 1.00 H new ATOM 0 HB2 SER A 63 -9.688 16.552 -12.042 1.00 1.00 H new ATOM 0 HB3 SER A 63 -9.917 17.919 -10.970 1.00 1.00 H new ATOM 0 HG SER A 63 -7.634 18.248 -10.951 1.00 1.00 H new ATOM 450 N THR A 64 -10.464 14.258 -9.927 1.00 1.00 N ATOM 451 CA THR A 64 -11.729 13.551 -9.582 1.00 1.00 C ATOM 452 C THR A 64 -11.532 12.746 -8.296 1.00 1.00 C ATOM 453 O THR A 64 -10.422 12.506 -7.866 1.00 1.00 O ATOM 454 CB THR A 64 -12.117 12.598 -10.717 1.00 1.00 C ATOM 455 OG1 THR A 64 -11.057 11.680 -10.945 1.00 1.00 O ATOM 456 CG2 THR A 64 -12.389 13.392 -11.994 1.00 1.00 C ATOM 0 H THR A 64 -9.754 13.683 -10.381 1.00 1.00 H new ATOM 0 HA THR A 64 -12.520 14.287 -9.438 1.00 1.00 H new ATOM 0 HB THR A 64 -13.019 12.054 -10.437 1.00 1.00 H new ATOM 0 HG1 THR A 64 -11.304 11.068 -11.670 1.00 1.00 H new ATOM 0 HG21 THR A 64 -12.664 12.707 -12.796 1.00 1.00 H new ATOM 0 HG22 THR A 64 -13.205 14.093 -11.820 1.00 1.00 H new ATOM 0 HG23 THR A 64 -11.492 13.942 -12.278 1.00 1.00 H new ATOM 457 N ASP A 65 -12.603 12.326 -7.678 1.00 1.00 N ATOM 458 CA ASP A 65 -12.474 11.534 -6.418 1.00 1.00 C ATOM 459 C ASP A 65 -12.151 10.072 -6.757 1.00 1.00 C ATOM 460 O ASP A 65 -11.555 9.782 -7.776 1.00 1.00 O ATOM 461 CB ASP A 65 -13.784 11.610 -5.635 1.00 1.00 C ATOM 462 CG ASP A 65 -14.925 11.052 -6.487 1.00 1.00 C ATOM 463 OD1 ASP A 65 -14.714 10.860 -7.674 1.00 1.00 O ATOM 464 OD2 ASP A 65 -15.992 10.826 -5.939 1.00 1.00 O ATOM 0 H ASP A 65 -13.560 12.496 -7.989 1.00 1.00 H new ATOM 0 HA ASP A 65 -11.667 11.944 -5.811 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -13.698 11.043 -4.708 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -13.995 12.643 -5.359 1.00 1.00 H new ATOM 465 N THR A 66 -12.542 9.149 -5.915 1.00 1.00 N ATOM 466 CA THR A 66 -12.260 7.712 -6.191 1.00 1.00 C ATOM 467 C THR A 66 -13.375 7.131 -7.059 1.00 1.00 C ATOM 468 O THR A 66 -13.611 5.939 -7.063 1.00 1.00 O ATOM 469 CB THR A 66 -12.194 6.939 -4.871 1.00 1.00 C ATOM 470 OG1 THR A 66 -13.434 7.067 -4.188 1.00 1.00 O ATOM 471 CG2 THR A 66 -11.071 7.501 -4.001 1.00 1.00 C ATOM 0 H THR A 66 -13.045 9.332 -5.047 1.00 1.00 H new ATOM 0 HA THR A 66 -11.307 7.626 -6.713 1.00 1.00 H new ATOM 0 HB THR A 66 -11.997 5.887 -5.076 1.00 1.00 H new ATOM 0 HG1 THR A 66 -13.395 6.572 -3.343 1.00 1.00 H new ATOM 0 HG21 THR A 66 -11.027 6.949 -3.062 1.00 1.00 H new ATOM 0 HG22 THR A 66 -10.120 7.402 -4.525 1.00 1.00 H new ATOM 0 HG23 THR A 66 -11.263 8.554 -3.794 1.00 1.00 H new ATOM 472 N MET A 67 -14.066 7.957 -7.793 1.00 1.00 N ATOM 473 CA MET A 67 -15.161 7.440 -8.651 1.00 1.00 C ATOM 474 C MET A 67 -14.932 7.922 -10.080 1.00 1.00 C ATOM 475 O MET A 67 -15.181 7.216 -11.037 1.00 1.00 O ATOM 476 CB MET A 67 -16.505 7.963 -8.141 1.00 1.00 C ATOM 477 CG MET A 67 -17.248 6.841 -7.415 1.00 1.00 C ATOM 478 SD MET A 67 -17.860 7.452 -5.825 1.00 1.00 S ATOM 479 CE MET A 67 -16.250 7.647 -5.022 1.00 1.00 C ATOM 0 H MET A 67 -13.918 8.965 -7.834 1.00 1.00 H new ATOM 0 HA MET A 67 -15.171 6.350 -8.624 1.00 1.00 H new ATOM 0 HB2 MET A 67 -16.347 8.805 -7.467 1.00 1.00 H new ATOM 0 HB3 MET A 67 -17.104 8.330 -8.974 1.00 1.00 H new ATOM 0 HG2 MET A 67 -18.079 6.487 -8.025 1.00 1.00 H new ATOM 0 HG3 MET A 67 -16.583 5.992 -7.259 1.00 1.00 H new ATOM 0 HE1 MET A 67 -16.394 7.988 -3.997 1.00 1.00 H new ATOM 0 HE2 MET A 67 -15.728 6.690 -5.017 1.00 1.00 H new ATOM 0 HE3 MET A 67 -15.657 8.381 -5.568 1.00 1.00 H new ATOM 480 N GLY A 68 -14.450 9.123 -10.225 1.00 1.00 N ATOM 481 CA GLY A 68 -14.189 9.668 -11.580 1.00 1.00 C ATOM 482 C GLY A 68 -14.856 11.034 -11.713 1.00 1.00 C ATOM 483 O GLY A 68 -14.571 11.788 -12.623 1.00 1.00 O ATOM 0 H GLY A 68 -14.225 9.754 -9.456 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -13.116 9.757 -11.748 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -14.575 8.987 -12.339 1.00 1.00 H new ATOM 484 N ARG A 69 -15.733 11.369 -10.807 1.00 1.00 N ATOM 485 CA ARG A 69 -16.398 12.698 -10.887 1.00 1.00 C ATOM 486 C ARG A 69 -15.341 13.776 -10.662 1.00 1.00 C ATOM 487 O ARG A 69 -14.390 13.559 -9.938 1.00 1.00 O ATOM 488 CB ARG A 69 -17.476 12.824 -9.804 1.00 1.00 C ATOM 489 CG ARG A 69 -18.299 11.538 -9.717 1.00 1.00 C ATOM 490 CD ARG A 69 -18.554 11.208 -8.245 1.00 1.00 C ATOM 491 NE ARG A 69 -19.202 9.870 -8.138 1.00 1.00 N ATOM 492 CZ ARG A 69 -20.496 9.759 -8.267 1.00 1.00 C ATOM 493 NH1 ARG A 69 -21.290 10.525 -7.569 1.00 1.00 N ATOM 494 NH2 ARG A 69 -20.997 8.883 -9.094 1.00 1.00 N ATOM 0 H ARG A 69 -16.016 10.784 -10.021 1.00 1.00 H new ATOM 0 HA ARG A 69 -16.868 12.811 -11.864 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -17.010 13.031 -8.841 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -18.130 13.667 -10.029 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -19.245 11.660 -10.245 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -17.768 10.718 -10.200 1.00 1.00 H new ATOM 0 HD2 ARG A 69 -17.614 11.214 -7.692 1.00 1.00 H new ATOM 0 HD3 ARG A 69 -19.192 11.969 -7.796 1.00 1.00 H new ATOM 0 HE ARG A 69 -18.634 9.041 -7.964 1.00 1.00 H new ATOM 0 HH11 ARG A 69 -20.899 11.210 -6.923 1.00 1.00 H new ATOM 0 HH12 ARG A 69 -22.301 10.438 -7.670 1.00 1.00 H new ATOM 0 HH21 ARG A 69 -20.377 8.285 -9.640 1.00 1.00 H new ATOM 0 HH22 ARG A 69 -22.008 8.797 -9.194 1.00 1.00 H new ATOM 495 N PRO A 70 -15.538 14.910 -11.280 1.00 1.00 N ATOM 496 CA PRO A 70 -14.614 16.024 -11.148 1.00 1.00 C ATOM 497 C PRO A 70 -14.708 16.628 -9.743 1.00 1.00 C ATOM 498 O PRO A 70 -13.996 17.554 -9.408 1.00 1.00 O ATOM 499 CB PRO A 70 -15.070 17.026 -12.202 1.00 1.00 C ATOM 500 CG PRO A 70 -16.579 16.683 -12.402 1.00 1.00 C ATOM 501 CD PRO A 70 -16.699 15.153 -12.149 1.00 1.00 C ATOM 0 HA PRO A 70 -13.575 15.727 -11.288 1.00 1.00 H new ATOM 0 HB2 PRO A 70 -14.933 18.053 -11.865 1.00 1.00 H new ATOM 0 HB3 PRO A 70 -14.507 16.917 -13.129 1.00 1.00 H new ATOM 0 HG2 PRO A 70 -17.204 17.245 -11.708 1.00 1.00 H new ATOM 0 HG3 PRO A 70 -16.909 16.941 -13.408 1.00 1.00 H new ATOM 0 HD2 PRO A 70 -17.638 14.890 -11.663 1.00 1.00 H new ATOM 0 HD3 PRO A 70 -16.647 14.579 -13.074 1.00 1.00 H new ATOM 502 N CYS A 71 -15.577 16.108 -8.917 1.00 1.00 N ATOM 503 CA CYS A 71 -15.708 16.651 -7.539 1.00 1.00 C ATOM 504 C CYS A 71 -16.293 18.064 -7.600 1.00 1.00 C ATOM 505 O CYS A 71 -16.519 18.606 -8.664 1.00 1.00 O ATOM 506 CB CYS A 71 -14.326 16.703 -6.887 1.00 1.00 C ATOM 507 SG CYS A 71 -14.493 16.529 -5.095 1.00 1.00 S ATOM 0 H CYS A 71 -16.200 15.332 -9.139 1.00 1.00 H new ATOM 0 HA CYS A 71 -16.368 16.010 -6.954 1.00 1.00 H new ATOM 0 HB2 CYS A 71 -13.696 15.906 -7.283 1.00 1.00 H new ATOM 0 HB3 CYS A 71 -13.835 17.646 -7.127 1.00 1.00 H new ATOM 508 N LEU A 72 -16.533 18.667 -6.468 1.00 1.00 N ATOM 509 CA LEU A 72 -17.096 20.047 -6.467 1.00 1.00 C ATOM 510 C LEU A 72 -15.956 21.059 -6.321 1.00 1.00 C ATOM 511 O LEU A 72 -15.023 20.828 -5.577 1.00 1.00 O ATOM 512 CB LEU A 72 -18.051 20.214 -5.283 1.00 1.00 C ATOM 513 CG LEU A 72 -19.223 19.245 -5.417 1.00 1.00 C ATOM 514 CD1 LEU A 72 -19.519 18.620 -4.053 1.00 1.00 C ATOM 515 CD2 LEU A 72 -20.458 20.006 -5.902 1.00 1.00 C ATOM 0 H LEU A 72 -16.364 18.265 -5.546 1.00 1.00 H new ATOM 0 HA LEU A 72 -17.632 20.215 -7.401 1.00 1.00 H new ATOM 0 HB2 LEU A 72 -17.521 20.029 -4.349 1.00 1.00 H new ATOM 0 HB3 LEU A 72 -18.419 21.239 -5.244 1.00 1.00 H new ATOM 0 HG LEU A 72 -18.971 18.463 -6.133 1.00 1.00 H new ATOM 0 HD11 LEU A 72 -20.356 17.927 -4.144 1.00 1.00 H new ATOM 0 HD12 LEU A 72 -18.639 18.082 -3.701 1.00 1.00 H new ATOM 0 HD13 LEU A 72 -19.774 19.405 -3.341 1.00 1.00 H new ATOM 0 HD21 LEU A 72 -21.296 19.316 -5.998 1.00 1.00 H new ATOM 0 HD22 LEU A 72 -20.711 20.785 -5.183 1.00 1.00 H new ATOM 0 HD23 LEU A 72 -20.249 20.460 -6.871 1.00 1.00 H new ATOM 516 N PRO A 73 -16.071 22.161 -7.017 1.00 1.00 N ATOM 517 CA PRO A 73 -15.068 23.210 -6.949 1.00 1.00 C ATOM 518 C PRO A 73 -15.161 23.902 -5.588 1.00 1.00 C ATOM 519 O PRO A 73 -16.236 24.111 -5.068 1.00 1.00 O ATOM 520 CB PRO A 73 -15.435 24.168 -8.076 1.00 1.00 C ATOM 521 CG PRO A 73 -16.964 23.922 -8.282 1.00 1.00 C ATOM 522 CD PRO A 73 -17.205 22.430 -7.913 1.00 1.00 C ATOM 0 HA PRO A 73 -14.048 22.841 -7.055 1.00 1.00 H new ATOM 0 HB2 PRO A 73 -15.228 25.203 -7.806 1.00 1.00 H new ATOM 0 HB3 PRO A 73 -14.869 23.956 -8.983 1.00 1.00 H new ATOM 0 HG2 PRO A 73 -17.556 24.582 -7.648 1.00 1.00 H new ATOM 0 HG3 PRO A 73 -17.257 24.123 -9.312 1.00 1.00 H new ATOM 0 HD2 PRO A 73 -18.164 22.280 -7.417 1.00 1.00 H new ATOM 0 HD3 PRO A 73 -17.196 21.784 -8.791 1.00 1.00 H new ATOM 523 N TRP A 74 -14.050 24.243 -5.000 1.00 1.00 N ATOM 524 CA TRP A 74 -14.091 24.904 -3.664 1.00 1.00 C ATOM 525 C TRP A 74 -15.018 26.126 -3.716 1.00 1.00 C ATOM 526 O TRP A 74 -15.488 26.600 -2.700 1.00 1.00 O ATOM 527 CB TRP A 74 -12.679 25.334 -3.251 1.00 1.00 C ATOM 528 CG TRP A 74 -11.711 24.225 -3.528 1.00 1.00 C ATOM 529 CD1 TRP A 74 -11.012 24.065 -4.677 1.00 1.00 C ATOM 530 CD2 TRP A 74 -11.318 23.125 -2.656 1.00 1.00 C ATOM 531 NE1 TRP A 74 -10.227 22.932 -4.570 1.00 1.00 N ATOM 532 CE2 TRP A 74 -10.378 22.319 -3.343 1.00 1.00 C ATOM 533 CE3 TRP A 74 -11.685 22.752 -1.350 1.00 1.00 C ATOM 534 CZ2 TRP A 74 -9.824 21.180 -2.753 1.00 1.00 C ATOM 535 CZ3 TRP A 74 -11.128 21.608 -0.753 1.00 1.00 C ATOM 536 CH2 TRP A 74 -10.201 20.824 -1.454 1.00 1.00 C ATOM 0 H TRP A 74 -13.117 24.094 -5.384 1.00 1.00 H new ATOM 0 HA TRP A 74 -14.475 24.198 -2.928 1.00 1.00 H new ATOM 0 HB2 TRP A 74 -12.387 26.230 -3.799 1.00 1.00 H new ATOM 0 HB3 TRP A 74 -12.661 25.588 -2.191 1.00 1.00 H new ATOM 0 HD1 TRP A 74 -11.060 24.717 -5.537 1.00 1.00 H new ATOM 0 HE1 TRP A 74 -9.611 22.591 -5.308 1.00 1.00 H new ATOM 0 HE3 TRP A 74 -12.400 23.349 -0.803 1.00 1.00 H new ATOM 0 HZ2 TRP A 74 -9.110 20.579 -3.296 1.00 1.00 H new ATOM 0 HZ3 TRP A 74 -11.416 21.332 0.251 1.00 1.00 H new ATOM 0 HH2 TRP A 74 -9.778 19.945 -0.991 1.00 1.00 H new ATOM 537 N ASN A 75 -15.292 26.639 -4.887 1.00 1.00 N ATOM 538 CA ASN A 75 -16.195 27.826 -4.985 1.00 1.00 C ATOM 539 C ASN A 75 -17.645 27.389 -4.738 1.00 1.00 C ATOM 540 O ASN A 75 -18.413 28.091 -4.111 1.00 1.00 O ATOM 541 CB ASN A 75 -16.058 28.464 -6.375 1.00 1.00 C ATOM 542 CG ASN A 75 -16.948 27.736 -7.388 1.00 1.00 C ATOM 543 OD1 ASN A 75 -16.826 26.543 -7.576 1.00 1.00 O ATOM 544 ND2 ASN A 75 -17.845 28.413 -8.053 1.00 1.00 N ATOM 0 H ASN A 75 -14.932 26.290 -5.776 1.00 1.00 H new ATOM 0 HA ASN A 75 -15.916 28.563 -4.232 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -16.336 29.517 -6.328 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -15.018 28.423 -6.700 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -18.443 27.939 -8.730 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -17.948 29.415 -7.895 1.00 1.00 H new ATOM 545 N SER A 76 -18.015 26.234 -5.232 1.00 1.00 N ATOM 546 CA SER A 76 -19.399 25.722 -5.041 1.00 1.00 C ATOM 547 C SER A 76 -19.886 26.093 -3.647 1.00 1.00 C ATOM 548 O SER A 76 -19.487 25.511 -2.662 1.00 1.00 O ATOM 549 CB SER A 76 -19.404 24.200 -5.194 1.00 1.00 C ATOM 550 OG SER A 76 -20.047 23.853 -6.413 1.00 1.00 O ATOM 0 H SER A 76 -17.404 25.617 -5.767 1.00 1.00 H new ATOM 0 HA SER A 76 -20.058 26.164 -5.788 1.00 1.00 H new ATOM 0 HB2 SER A 76 -18.383 23.819 -5.187 1.00 1.00 H new ATOM 0 HB3 SER A 76 -19.922 23.740 -4.352 1.00 1.00 H new ATOM 0 HG SER A 76 -20.050 22.878 -6.515 1.00 1.00 H new ATOM 551 N ALA A 77 -20.730 27.076 -3.578 1.00 1.00 N ATOM 552 CA ALA A 77 -21.265 27.552 -2.263 1.00 1.00 C ATOM 553 C ALA A 77 -21.399 26.385 -1.276 1.00 1.00 C ATOM 554 O ALA A 77 -21.210 26.548 -0.087 1.00 1.00 O ATOM 555 CB ALA A 77 -22.639 28.189 -2.480 1.00 1.00 C ATOM 0 H ALA A 77 -21.083 27.585 -4.389 1.00 1.00 H new ATOM 0 HA ALA A 77 -20.572 28.283 -1.847 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -23.033 28.537 -1.525 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -22.545 29.033 -3.164 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -23.319 27.451 -2.906 1.00 1.00 H new ATOM 556 N THR A 78 -21.709 25.211 -1.751 1.00 1.00 N ATOM 557 CA THR A 78 -21.834 24.046 -0.826 1.00 1.00 C ATOM 558 C THR A 78 -20.523 23.869 -0.066 1.00 1.00 C ATOM 559 O THR A 78 -20.483 23.940 1.146 1.00 1.00 O ATOM 560 CB THR A 78 -22.109 22.778 -1.635 1.00 1.00 C ATOM 561 OG1 THR A 78 -22.965 23.088 -2.726 1.00 1.00 O ATOM 562 CG2 THR A 78 -22.773 21.730 -0.741 1.00 1.00 C ATOM 0 H THR A 78 -21.881 25.006 -2.735 1.00 1.00 H new ATOM 0 HA THR A 78 -22.653 24.223 -0.128 1.00 1.00 H new ATOM 0 HB THR A 78 -21.168 22.380 -2.015 1.00 1.00 H new ATOM 0 HG1 THR A 78 -23.140 22.276 -3.246 1.00 1.00 H new ATOM 0 HG21 THR A 78 -22.968 20.828 -1.321 1.00 1.00 H new ATOM 0 HG22 THR A 78 -22.112 21.491 0.092 1.00 1.00 H new ATOM 0 HG23 THR A 78 -23.714 22.124 -0.356 1.00 1.00 H new ATOM 563 N VAL A 79 -19.448 23.643 -0.768 1.00 1.00 N ATOM 564 CA VAL A 79 -18.150 23.473 -0.091 1.00 1.00 C ATOM 565 C VAL A 79 -17.803 24.791 0.608 1.00 1.00 C ATOM 566 O VAL A 79 -17.370 24.807 1.742 1.00 1.00 O ATOM 567 CB VAL A 79 -17.088 23.093 -1.130 1.00 1.00 C ATOM 568 CG1 VAL A 79 -17.326 23.836 -2.444 1.00 1.00 C ATOM 569 CG2 VAL A 79 -15.714 23.455 -0.606 1.00 1.00 C ATOM 0 H VAL A 79 -19.421 23.570 -1.785 1.00 1.00 H new ATOM 0 HA VAL A 79 -18.192 22.677 0.653 1.00 1.00 H new ATOM 0 HB VAL A 79 -17.153 22.020 -1.310 1.00 1.00 H new ATOM 0 HG11 VAL A 79 -16.561 23.551 -3.167 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -18.310 23.577 -2.836 1.00 1.00 H new ATOM 0 HG13 VAL A 79 -17.277 24.911 -2.268 1.00 1.00 H new ATOM 0 HG21 VAL A 79 -14.960 23.185 -1.345 1.00 1.00 H new ATOM 0 HG22 VAL A 79 -15.668 24.527 -0.416 1.00 1.00 H new ATOM 0 HG23 VAL A 79 -15.524 22.914 0.321 1.00 1.00 H new ATOM 570 N LEU A 80 -18.029 25.900 -0.045 1.00 1.00 N ATOM 571 CA LEU A 80 -17.752 27.208 0.608 1.00 1.00 C ATOM 572 C LEU A 80 -18.370 27.163 2.002 1.00 1.00 C ATOM 573 O LEU A 80 -17.929 27.817 2.926 1.00 1.00 O ATOM 574 CB LEU A 80 -18.390 28.335 -0.205 1.00 1.00 C ATOM 575 CG LEU A 80 -17.608 28.529 -1.505 1.00 1.00 C ATOM 576 CD1 LEU A 80 -18.078 29.807 -2.200 1.00 1.00 C ATOM 577 CD2 LEU A 80 -16.114 28.643 -1.189 1.00 1.00 C ATOM 0 H LEU A 80 -18.391 25.955 -0.997 1.00 1.00 H new ATOM 0 HA LEU A 80 -16.679 27.390 0.668 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -19.430 28.095 -0.426 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -18.392 29.259 0.373 1.00 1.00 H new ATOM 0 HG LEU A 80 -17.779 27.675 -2.161 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -17.520 29.944 -3.126 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -19.142 29.728 -2.426 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -17.908 30.661 -1.544 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -15.556 28.781 -2.115 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -15.945 29.497 -0.533 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -15.776 27.732 -0.694 1.00 1.00 H new ATOM 578 N GLN A 81 -19.395 26.369 2.143 1.00 1.00 N ATOM 579 CA GLN A 81 -20.084 26.221 3.450 1.00 1.00 C ATOM 580 C GLN A 81 -19.320 25.221 4.325 1.00 1.00 C ATOM 581 O GLN A 81 -19.165 25.413 5.515 1.00 1.00 O ATOM 582 CB GLN A 81 -21.493 25.716 3.190 1.00 1.00 C ATOM 583 CG GLN A 81 -22.469 26.805 3.610 1.00 1.00 C ATOM 584 CD GLN A 81 -22.955 27.570 2.379 1.00 1.00 C ATOM 585 OE1 GLN A 81 -23.582 27.006 1.506 1.00 1.00 O ATOM 586 NE2 GLN A 81 -22.687 28.843 2.274 1.00 1.00 N ATOM 0 H GLN A 81 -19.790 25.806 1.390 1.00 1.00 H new ATOM 0 HA GLN A 81 -20.122 27.178 3.970 1.00 1.00 H new ATOM 0 HB2 GLN A 81 -21.622 25.475 2.135 1.00 1.00 H new ATOM 0 HB3 GLN A 81 -21.679 24.800 3.751 1.00 1.00 H new ATOM 0 HG2 GLN A 81 -23.317 26.363 4.133 1.00 1.00 H new ATOM 0 HG3 GLN A 81 -21.986 27.490 4.307 1.00 1.00 H new ATOM 0 HE21 GLN A 81 -22.160 29.316 3.008 1.00 1.00 H new ATOM 0 HE22 GLN A 81 -23.005 29.365 1.457 1.00 1.00 H new ATOM 587 N GLN A 82 -18.843 24.153 3.741 1.00 1.00 N ATOM 588 CA GLN A 82 -18.088 23.134 4.530 1.00 1.00 C ATOM 589 C GLN A 82 -16.760 23.725 5.020 1.00 1.00 C ATOM 590 O GLN A 82 -16.651 24.908 5.270 1.00 1.00 O ATOM 591 CB GLN A 82 -17.803 21.920 3.643 1.00 1.00 C ATOM 592 CG GLN A 82 -19.094 21.479 2.951 1.00 1.00 C ATOM 593 CD GLN A 82 -19.750 20.359 3.760 1.00 1.00 C ATOM 594 OE1 GLN A 82 -19.075 19.488 4.272 1.00 1.00 O ATOM 595 NE2 GLN A 82 -21.047 20.346 3.899 1.00 1.00 N ATOM 0 H GLN A 82 -18.944 23.942 2.748 1.00 1.00 H new ATOM 0 HA GLN A 82 -18.685 22.834 5.391 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -17.046 22.169 2.899 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -17.403 21.103 4.244 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -19.777 22.324 2.859 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -18.877 21.133 1.940 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -21.613 21.077 3.469 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -21.495 19.605 4.438 1.00 1.00 H new ATOM 596 N THR A 83 -15.751 22.902 5.164 1.00 1.00 N ATOM 597 CA THR A 83 -14.430 23.408 5.642 1.00 1.00 C ATOM 598 C THR A 83 -13.581 23.850 4.439 1.00 1.00 C ATOM 599 O THR A 83 -14.013 24.671 3.654 1.00 1.00 O ATOM 600 CB THR A 83 -13.716 22.299 6.420 1.00 1.00 C ATOM 601 OG1 THR A 83 -14.632 21.688 7.318 1.00 1.00 O ATOM 602 CG2 THR A 83 -12.547 22.895 7.207 1.00 1.00 C ATOM 0 H THR A 83 -15.786 21.901 4.971 1.00 1.00 H new ATOM 0 HA THR A 83 -14.578 24.265 6.299 1.00 1.00 H new ATOM 0 HB THR A 83 -13.337 21.552 5.723 1.00 1.00 H new ATOM 0 HG1 THR A 83 -14.177 20.977 7.816 1.00 1.00 H new ATOM 0 HG21 THR A 83 -12.040 22.104 7.760 1.00 1.00 H new ATOM 0 HG22 THR A 83 -11.845 23.363 6.517 1.00 1.00 H new ATOM 0 HG23 THR A 83 -12.922 23.643 7.905 1.00 1.00 H new ATOM 603 N TYR A 84 -12.381 23.322 4.287 1.00 1.00 N ATOM 604 CA TYR A 84 -11.518 23.728 3.132 1.00 1.00 C ATOM 605 C TYR A 84 -12.390 23.937 1.898 1.00 1.00 C ATOM 606 O TYR A 84 -12.802 23.003 1.239 1.00 1.00 O ATOM 607 CB TYR A 84 -10.465 22.649 2.872 1.00 1.00 C ATOM 608 CG TYR A 84 -9.416 22.719 3.957 1.00 1.00 C ATOM 609 CD1 TYR A 84 -8.691 23.901 4.155 1.00 1.00 C ATOM 610 CD2 TYR A 84 -9.176 21.604 4.772 1.00 1.00 C ATOM 611 CE1 TYR A 84 -7.724 23.969 5.168 1.00 1.00 C ATOM 612 CE2 TYR A 84 -8.209 21.671 5.783 1.00 1.00 C ATOM 613 CZ TYR A 84 -7.483 22.854 5.982 1.00 1.00 C ATOM 614 OH TYR A 84 -6.532 22.921 6.980 1.00 1.00 O ATOM 0 H TYR A 84 -11.968 22.631 4.913 1.00 1.00 H new ATOM 0 HA TYR A 84 -11.006 24.662 3.363 1.00 1.00 H new ATOM 0 HB2 TYR A 84 -10.930 21.663 2.860 1.00 1.00 H new ATOM 0 HB3 TYR A 84 -10.007 22.797 1.894 1.00 1.00 H new ATOM 0 HD1 TYR A 84 -8.877 24.760 3.527 1.00 1.00 H new ATOM 0 HD2 TYR A 84 -9.737 20.693 4.620 1.00 1.00 H new ATOM 0 HE1 TYR A 84 -7.165 24.880 5.321 1.00 1.00 H new ATOM 0 HE2 TYR A 84 -8.022 20.811 6.409 1.00 1.00 H new ATOM 0 HH TYR A 84 -5.882 22.197 6.861 1.00 1.00 H new ATOM 615 N HIS A 85 -12.712 25.168 1.618 1.00 1.00 N ATOM 616 CA HIS A 85 -13.605 25.469 0.468 1.00 1.00 C ATOM 617 C HIS A 85 -13.140 26.726 -0.275 1.00 1.00 C ATOM 618 O HIS A 85 -13.730 27.108 -1.265 1.00 1.00 O ATOM 619 CB HIS A 85 -14.993 25.715 1.035 1.00 1.00 C ATOM 620 CG HIS A 85 -14.920 26.911 1.947 1.00 1.00 C ATOM 621 ND1 HIS A 85 -15.364 26.885 3.260 1.00 1.00 N ATOM 622 CD2 HIS A 85 -14.451 28.182 1.739 1.00 1.00 C ATOM 623 CE1 HIS A 85 -15.151 28.110 3.781 1.00 1.00 C ATOM 624 NE2 HIS A 85 -14.596 28.935 2.896 1.00 1.00 N ATOM 0 H HIS A 85 -12.392 25.983 2.141 1.00 1.00 H new ATOM 0 HA HIS A 85 -13.595 24.638 -0.237 1.00 1.00 H new ATOM 0 HB2 HIS A 85 -15.707 25.893 0.231 1.00 1.00 H new ATOM 0 HB3 HIS A 85 -15.341 24.839 1.583 1.00 1.00 H new ATOM 0 HD1 HIS A 85 -15.776 26.086 3.743 1.00 1.00 H new ATOM 0 HD2 HIS A 85 -14.031 28.544 0.812 1.00 1.00 H new ATOM 0 HE1 HIS A 85 -15.401 28.388 4.794 1.00 1.00 H new ATOM 625 N ALA A 86 -12.098 27.366 0.194 1.00 1.00 N ATOM 626 CA ALA A 86 -11.580 28.600 -0.481 1.00 1.00 C ATOM 627 C ALA A 86 -12.255 29.851 0.096 1.00 1.00 C ATOM 628 O ALA A 86 -12.758 30.683 -0.631 1.00 1.00 O ATOM 629 CB ALA A 86 -11.842 28.528 -1.991 1.00 1.00 C ATOM 0 H ALA A 86 -11.577 27.084 1.025 1.00 1.00 H new ATOM 0 HA ALA A 86 -10.506 28.661 -0.304 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -11.461 29.430 -2.470 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -11.337 27.656 -2.407 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -12.914 28.447 -2.171 1.00 1.00 H new ATOM 630 N HIS A 87 -12.252 30.000 1.397 1.00 1.00 N ATOM 631 CA HIS A 87 -12.873 31.210 2.020 1.00 1.00 C ATOM 632 C HIS A 87 -12.779 31.112 3.546 1.00 1.00 C ATOM 633 O HIS A 87 -13.631 31.605 4.258 1.00 1.00 O ATOM 634 CB HIS A 87 -14.347 31.326 1.618 1.00 1.00 C ATOM 635 CG HIS A 87 -14.498 32.368 0.543 1.00 1.00 C ATOM 636 ND1 HIS A 87 -15.740 32.810 0.112 1.00 1.00 N ATOM 637 CD2 HIS A 87 -13.575 33.067 -0.196 1.00 1.00 C ATOM 638 CE1 HIS A 87 -15.532 33.733 -0.844 1.00 1.00 C ATOM 639 NE2 HIS A 87 -14.231 33.928 -1.071 1.00 1.00 N ATOM 0 H HIS A 87 -11.846 29.335 2.056 1.00 1.00 H new ATOM 0 HA HIS A 87 -12.336 32.091 1.669 1.00 1.00 H new ATOM 0 HB2 HIS A 87 -14.713 30.364 1.260 1.00 1.00 H new ATOM 0 HB3 HIS A 87 -14.951 31.594 2.485 1.00 1.00 H new ATOM 0 HD2 HIS A 87 -12.503 32.964 -0.111 1.00 1.00 H new ATOM 0 HE1 HIS A 87 -16.322 34.253 -1.365 1.00 1.00 H new ATOM 0 HE2 HIS A 87 -13.808 34.570 -1.742 1.00 1.00 H new ATOM 640 N ARG A 88 -11.752 30.488 4.058 1.00 1.00 N ATOM 641 CA ARG A 88 -11.617 30.373 5.536 1.00 1.00 C ATOM 642 C ARG A 88 -10.304 31.019 5.974 1.00 1.00 C ATOM 643 O ARG A 88 -9.780 31.893 5.312 1.00 1.00 O ATOM 644 CB ARG A 88 -11.605 28.899 5.939 1.00 1.00 C ATOM 645 CG ARG A 88 -12.785 28.180 5.289 1.00 1.00 C ATOM 646 CD ARG A 88 -12.722 26.693 5.634 1.00 1.00 C ATOM 647 NE ARG A 88 -13.623 26.413 6.788 1.00 1.00 N ATOM 648 CZ ARG A 88 -13.194 26.588 8.008 1.00 1.00 C ATOM 649 NH1 ARG A 88 -12.302 25.780 8.509 1.00 1.00 N ATOM 650 NH2 ARG A 88 -13.660 27.572 8.728 1.00 1.00 N ATOM 0 H ARG A 88 -11.004 30.055 3.517 1.00 1.00 H new ATOM 0 HA ARG A 88 -12.457 30.875 6.015 1.00 1.00 H new ATOM 0 HB2 ARG A 88 -10.668 28.435 5.630 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -11.663 28.808 7.024 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -13.724 28.607 5.640 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -12.758 28.316 4.208 1.00 1.00 H new ATOM 0 HD2 ARG A 88 -13.020 26.096 4.772 1.00 1.00 H new ATOM 0 HD3 ARG A 88 -11.699 26.409 5.880 1.00 1.00 H new ATOM 0 HE ARG A 88 -14.575 26.085 6.624 1.00 1.00 H new ATOM 0 HH11 ARG A 88 -11.939 25.010 7.947 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -11.967 25.918 9.463 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -14.359 28.204 8.337 1.00 1.00 H new ATOM 0 HH22 ARG A 88 -13.325 27.709 9.682 1.00 1.00 H new ATOM 651 N SER A 89 -9.763 30.588 7.078 1.00 1.00 N ATOM 652 CA SER A 89 -8.477 31.170 7.550 1.00 1.00 C ATOM 653 C SER A 89 -7.350 30.166 7.304 1.00 1.00 C ATOM 654 O SER A 89 -6.208 30.401 7.648 1.00 1.00 O ATOM 655 CB SER A 89 -8.571 31.483 9.044 1.00 1.00 C ATOM 656 OG SER A 89 -9.277 32.703 9.224 1.00 1.00 O ATOM 0 H SER A 89 -10.155 29.859 7.673 1.00 1.00 H new ATOM 0 HA SER A 89 -8.271 32.091 7.005 1.00 1.00 H new ATOM 0 HB2 SER A 89 -9.082 30.673 9.566 1.00 1.00 H new ATOM 0 HB3 SER A 89 -7.573 31.560 9.475 1.00 1.00 H new ATOM 0 HG SER A 89 -9.341 32.906 10.181 1.00 1.00 H new ATOM 657 N ASP A 90 -7.660 29.049 6.703 1.00 1.00 N ATOM 658 CA ASP A 90 -6.606 28.034 6.425 1.00 1.00 C ATOM 659 C ASP A 90 -6.590 27.722 4.930 1.00 1.00 C ATOM 660 O ASP A 90 -5.722 27.029 4.439 1.00 1.00 O ATOM 661 CB ASP A 90 -6.906 26.754 7.205 1.00 1.00 C ATOM 662 CG ASP A 90 -7.160 27.097 8.674 1.00 1.00 C ATOM 663 OD1 ASP A 90 -8.118 27.804 8.939 1.00 1.00 O ATOM 664 OD2 ASP A 90 -6.393 26.646 9.508 1.00 1.00 O ATOM 0 H ASP A 90 -8.598 28.796 6.393 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.636 28.425 6.731 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -7.777 26.254 6.782 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -6.069 26.061 7.122 1.00 1.00 H new ATOM 665 N ALA A 91 -7.543 28.233 4.199 1.00 1.00 N ATOM 666 CA ALA A 91 -7.577 27.969 2.736 1.00 1.00 C ATOM 667 C ALA A 91 -6.487 28.796 2.060 1.00 1.00 C ATOM 668 O ALA A 91 -6.121 28.555 0.926 1.00 1.00 O ATOM 669 CB ALA A 91 -8.944 28.368 2.177 1.00 1.00 C ATOM 0 H ALA A 91 -8.298 28.821 4.553 1.00 1.00 H new ATOM 0 HA ALA A 91 -7.408 26.909 2.546 1.00 1.00 H new ATOM 0 HB1 ALA A 91 -8.969 28.175 1.105 1.00 1.00 H new ATOM 0 HB2 ALA A 91 -9.723 27.785 2.669 1.00 1.00 H new ATOM 0 HB3 ALA A 91 -9.116 29.429 2.358 1.00 1.00 H new ATOM 670 N LEU A 92 -5.959 29.767 2.752 1.00 1.00 N ATOM 671 CA LEU A 92 -4.887 30.603 2.147 1.00 1.00 C ATOM 672 C LEU A 92 -3.530 29.928 2.347 1.00 1.00 C ATOM 673 O LEU A 92 -2.543 30.308 1.749 1.00 1.00 O ATOM 674 CB LEU A 92 -4.871 32.014 2.745 1.00 1.00 C ATOM 675 CG LEU A 92 -5.029 32.008 4.270 1.00 1.00 C ATOM 676 CD1 LEU A 92 -6.512 31.948 4.643 1.00 1.00 C ATOM 677 CD2 LEU A 92 -4.286 30.827 4.902 1.00 1.00 C ATOM 0 H LEU A 92 -6.222 30.016 3.705 1.00 1.00 H new ATOM 0 HA LEU A 92 -5.091 30.698 1.081 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -3.934 32.506 2.482 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -5.675 32.602 2.302 1.00 1.00 H new ATOM 0 HG LEU A 92 -4.594 32.929 4.657 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -6.614 31.944 5.728 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -7.026 32.818 4.233 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -6.954 31.039 4.234 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -4.418 30.851 5.984 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -4.686 29.893 4.509 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -3.225 30.896 4.664 1.00 1.00 H new ATOM 678 N GLN A 93 -3.476 28.916 3.169 1.00 1.00 N ATOM 679 CA GLN A 93 -2.189 28.204 3.388 1.00 1.00 C ATOM 680 C GLN A 93 -2.044 27.138 2.307 1.00 1.00 C ATOM 681 O GLN A 93 -0.955 26.779 1.905 1.00 1.00 O ATOM 682 CB GLN A 93 -2.196 27.541 4.768 1.00 1.00 C ATOM 683 CG GLN A 93 -1.216 28.270 5.689 1.00 1.00 C ATOM 684 CD GLN A 93 0.177 27.655 5.541 1.00 1.00 C ATOM 685 OE1 GLN A 93 0.720 27.116 6.485 1.00 1.00 O ATOM 686 NE2 GLN A 93 0.783 27.713 4.386 1.00 1.00 N ATOM 0 H GLN A 93 -4.269 28.553 3.698 1.00 1.00 H new ATOM 0 HA GLN A 93 -1.356 28.906 3.339 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -3.200 27.570 5.192 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -1.917 26.491 4.680 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -1.185 29.330 5.439 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -1.550 28.196 6.724 1.00 1.00 H new ATOM 0 HE21 GLN A 93 0.328 28.165 3.593 1.00 1.00 H new ATOM 0 HE22 GLN A 93 1.712 27.306 4.276 1.00 1.00 H new ATOM 687 N LEU A 94 -3.149 26.634 1.832 1.00 1.00 N ATOM 688 CA LEU A 94 -3.109 25.593 0.773 1.00 1.00 C ATOM 689 C LEU A 94 -3.404 26.240 -0.582 1.00 1.00 C ATOM 690 O LEU A 94 -3.266 25.623 -1.620 1.00 1.00 O ATOM 691 CB LEU A 94 -4.169 24.530 1.075 1.00 1.00 C ATOM 692 CG LEU A 94 -3.899 23.903 2.447 1.00 1.00 C ATOM 693 CD1 LEU A 94 -2.402 23.622 2.609 1.00 1.00 C ATOM 694 CD2 LEU A 94 -4.357 24.866 3.543 1.00 1.00 C ATOM 0 H LEU A 94 -4.085 26.903 2.136 1.00 1.00 H new ATOM 0 HA LEU A 94 -2.123 25.129 0.746 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -5.162 24.979 1.059 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -4.155 23.760 0.304 1.00 1.00 H new ATOM 0 HG LEU A 94 -4.449 22.965 2.527 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -2.219 23.177 3.587 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -2.075 22.934 1.830 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -1.845 24.556 2.526 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -4.166 24.422 4.520 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -3.808 25.803 3.456 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -5.424 25.060 3.435 1.00 1.00 H new ATOM 695 N GLY A 95 -3.808 27.483 -0.582 1.00 1.00 N ATOM 696 CA GLY A 95 -4.109 28.170 -1.870 1.00 1.00 C ATOM 697 C GLY A 95 -5.188 27.395 -2.629 1.00 1.00 C ATOM 698 O GLY A 95 -4.896 26.565 -3.467 1.00 1.00 O ATOM 0 H GLY A 95 -3.942 28.051 0.254 1.00 1.00 H new ATOM 0 HA2 GLY A 95 -4.446 29.189 -1.680 1.00 1.00 H new ATOM 0 HA3 GLY A 95 -3.205 28.241 -2.475 1.00 1.00 H new ATOM 699 N LEU A 96 -6.435 27.662 -2.347 1.00 1.00 N ATOM 700 CA LEU A 96 -7.529 26.943 -3.060 1.00 1.00 C ATOM 701 C LEU A 96 -8.008 27.797 -4.236 1.00 1.00 C ATOM 702 O LEU A 96 -7.695 27.529 -5.379 1.00 1.00 O ATOM 703 CB LEU A 96 -8.695 26.697 -2.098 1.00 1.00 C ATOM 704 CG LEU A 96 -8.271 25.694 -1.023 1.00 1.00 C ATOM 705 CD1 LEU A 96 -8.606 26.256 0.359 1.00 1.00 C ATOM 706 CD2 LEU A 96 -9.022 24.376 -1.226 1.00 1.00 C ATOM 0 H LEU A 96 -6.743 28.345 -1.655 1.00 1.00 H new ATOM 0 HA LEU A 96 -7.159 25.986 -3.428 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -9.001 27.635 -1.634 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -9.557 26.316 -2.645 1.00 1.00 H new ATOM 0 HG LEU A 96 -7.198 25.518 -1.098 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -8.304 25.542 1.125 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -8.074 27.195 0.509 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -9.679 26.432 0.430 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -8.719 23.663 -0.460 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -10.095 24.554 -1.152 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -8.788 23.972 -2.211 1.00 1.00 H new ATOM 707 N GLY A 97 -8.761 28.828 -3.965 1.00 1.00 N ATOM 708 CA GLY A 97 -9.255 29.701 -5.068 1.00 1.00 C ATOM 709 C GLY A 97 -10.523 29.096 -5.674 1.00 1.00 C ATOM 710 O GLY A 97 -11.264 28.395 -5.015 1.00 1.00 O ATOM 0 H GLY A 97 -9.055 29.104 -3.028 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -9.463 30.701 -4.688 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -8.487 29.805 -5.835 1.00 1.00 H new ATOM 711 N LYS A 98 -10.778 29.363 -6.927 1.00 1.00 N ATOM 712 CA LYS A 98 -11.999 28.804 -7.573 1.00 1.00 C ATOM 713 C LYS A 98 -11.600 27.729 -8.587 1.00 1.00 C ATOM 714 O LYS A 98 -11.392 28.008 -9.751 1.00 1.00 O ATOM 715 CB LYS A 98 -12.755 29.923 -8.294 1.00 1.00 C ATOM 716 CG LYS A 98 -13.914 29.322 -9.093 1.00 1.00 C ATOM 717 CD LYS A 98 -14.504 30.384 -10.022 1.00 1.00 C ATOM 718 CE LYS A 98 -15.407 29.709 -11.056 1.00 1.00 C ATOM 719 NZ LYS A 98 -14.579 29.221 -12.195 1.00 1.00 N ATOM 0 H LYS A 98 -10.194 29.943 -7.530 1.00 1.00 H new ATOM 0 HA LYS A 98 -12.639 28.363 -6.809 1.00 1.00 H new ATOM 0 HB2 LYS A 98 -13.134 30.645 -7.571 1.00 1.00 H new ATOM 0 HB3 LYS A 98 -12.081 30.462 -8.960 1.00 1.00 H new ATOM 0 HG2 LYS A 98 -13.564 28.470 -9.675 1.00 1.00 H new ATOM 0 HG3 LYS A 98 -14.682 28.951 -8.415 1.00 1.00 H new ATOM 0 HD2 LYS A 98 -15.074 31.112 -9.445 1.00 1.00 H new ATOM 0 HD3 LYS A 98 -13.704 30.930 -10.522 1.00 1.00 H new ATOM 0 HE2 LYS A 98 -15.943 28.877 -10.599 1.00 1.00 H new ATOM 0 HE3 LYS A 98 -16.158 30.413 -11.414 1.00 1.00 H new ATOM 0 HZ1 LYS A 98 -15.192 28.762 -12.898 1.00 1.00 H new ATOM 0 HZ2 LYS A 98 -14.087 30.024 -12.636 1.00 1.00 H new ATOM 0 HZ3 LYS A 98 -13.879 28.536 -11.847 1.00 1.00 H new ATOM 720 N HIS A 99 -11.496 26.502 -8.157 1.00 1.00 N ATOM 721 CA HIS A 99 -11.117 25.413 -9.101 1.00 1.00 C ATOM 722 C HIS A 99 -11.732 24.093 -8.630 1.00 1.00 C ATOM 723 O HIS A 99 -12.290 24.007 -7.553 1.00 1.00 O ATOM 724 CB HIS A 99 -9.593 25.280 -9.150 1.00 1.00 C ATOM 725 CG HIS A 99 -9.059 25.119 -7.755 1.00 1.00 C ATOM 726 ND1 HIS A 99 -8.147 24.129 -7.423 1.00 1.00 N ATOM 727 CD2 HIS A 99 -9.300 25.811 -6.596 1.00 1.00 C ATOM 728 CE1 HIS A 99 -7.877 24.252 -6.111 1.00 1.00 C ATOM 729 NE2 HIS A 99 -8.553 25.263 -5.558 1.00 1.00 N ATOM 0 H HIS A 99 -11.657 26.206 -7.194 1.00 1.00 H new ATOM 0 HA HIS A 99 -11.489 25.652 -10.097 1.00 1.00 H new ATOM 0 HB2 HIS A 99 -9.312 24.421 -9.760 1.00 1.00 H new ATOM 0 HB3 HIS A 99 -9.155 26.161 -9.619 1.00 1.00 H new ATOM 0 HD1 HIS A 99 -7.753 23.434 -8.058 1.00 1.00 H new ATOM 0 HD2 HIS A 99 -9.969 26.654 -6.503 1.00 1.00 H new ATOM 0 HE1 HIS A 99 -7.196 23.611 -5.570 1.00 1.00 H new ATOM 730 N ASN A 100 -11.638 23.065 -9.428 1.00 1.00 N ATOM 731 CA ASN A 100 -12.221 21.754 -9.026 1.00 1.00 C ATOM 732 C ASN A 100 -11.105 20.716 -8.900 1.00 1.00 C ATOM 733 O ASN A 100 -11.068 19.739 -9.622 1.00 1.00 O ATOM 734 CB ASN A 100 -13.224 21.297 -10.088 1.00 1.00 C ATOM 735 CG ASN A 100 -12.740 21.739 -11.470 1.00 1.00 C ATOM 736 OD1 ASN A 100 -12.293 20.929 -12.257 1.00 1.00 O ATOM 737 ND2 ASN A 100 -12.812 23.000 -11.801 1.00 1.00 N ATOM 0 H ASN A 100 -11.183 23.076 -10.341 1.00 1.00 H new ATOM 0 HA ASN A 100 -12.728 21.860 -8.067 1.00 1.00 H new ATOM 0 HB2 ASN A 100 -13.332 20.213 -10.058 1.00 1.00 H new ATOM 0 HB3 ASN A 100 -14.207 21.721 -9.882 1.00 1.00 H new ATOM 0 HD21 ASN A 100 -12.493 23.305 -12.721 1.00 1.00 H new ATOM 0 HD22 ASN A 100 -13.187 23.680 -11.140 1.00 1.00 H new ATOM 738 N TYR A 101 -10.195 20.917 -7.986 1.00 1.00 N ATOM 739 CA TYR A 101 -9.083 19.940 -7.813 1.00 1.00 C ATOM 740 C TYR A 101 -9.293 19.154 -6.517 1.00 1.00 C ATOM 741 O TYR A 101 -10.255 19.359 -5.805 1.00 1.00 O ATOM 742 CB TYR A 101 -7.751 20.690 -7.747 1.00 1.00 C ATOM 743 CG TYR A 101 -7.117 20.714 -9.117 1.00 1.00 C ATOM 744 CD1 TYR A 101 -7.502 21.685 -10.051 1.00 1.00 C ATOM 745 CD2 TYR A 101 -6.144 19.764 -9.456 1.00 1.00 C ATOM 746 CE1 TYR A 101 -6.913 21.707 -11.323 1.00 1.00 C ATOM 747 CE2 TYR A 101 -5.556 19.786 -10.728 1.00 1.00 C ATOM 748 CZ TYR A 101 -5.940 20.758 -11.661 1.00 1.00 C ATOM 749 OH TYR A 101 -5.361 20.779 -12.913 1.00 1.00 O ATOM 0 H TYR A 101 -10.174 21.716 -7.352 1.00 1.00 H new ATOM 0 HA TYR A 101 -9.069 19.251 -8.657 1.00 1.00 H new ATOM 0 HB2 TYR A 101 -7.912 21.708 -7.391 1.00 1.00 H new ATOM 0 HB3 TYR A 101 -7.084 20.205 -7.034 1.00 1.00 H new ATOM 0 HD1 TYR A 101 -8.253 22.417 -9.791 1.00 1.00 H new ATOM 0 HD2 TYR A 101 -5.847 19.015 -8.737 1.00 1.00 H new ATOM 0 HE1 TYR A 101 -7.210 22.456 -12.042 1.00 1.00 H new ATOM 0 HE2 TYR A 101 -4.807 19.053 -10.989 1.00 1.00 H new ATOM 0 HH TYR A 101 -4.706 20.054 -12.983 1.00 1.00 H new ATOM 750 N CYS A 102 -8.399 18.255 -6.205 1.00 1.00 N ATOM 751 CA CYS A 102 -8.550 17.456 -4.955 1.00 1.00 C ATOM 752 C CYS A 102 -7.777 18.133 -3.821 1.00 1.00 C ATOM 753 O CYS A 102 -8.331 18.467 -2.793 1.00 1.00 O ATOM 754 CB CYS A 102 -7.995 16.049 -5.180 1.00 1.00 C ATOM 755 SG CYS A 102 -8.805 14.895 -4.045 1.00 1.00 S ATOM 0 H CYS A 102 -7.571 18.039 -6.761 1.00 1.00 H new ATOM 0 HA CYS A 102 -9.605 17.393 -4.689 1.00 1.00 H new ATOM 0 HB2 CYS A 102 -8.164 15.740 -6.212 1.00 1.00 H new ATOM 0 HB3 CYS A 102 -6.917 16.041 -5.017 1.00 1.00 H new ATOM 756 N ARG A 103 -6.501 18.339 -4.001 1.00 1.00 N ATOM 757 CA ARG A 103 -5.691 18.995 -2.936 1.00 1.00 C ATOM 758 C ARG A 103 -5.706 18.136 -1.670 1.00 1.00 C ATOM 759 O ARG A 103 -6.152 17.005 -1.678 1.00 1.00 O ATOM 760 CB ARG A 103 -6.281 20.373 -2.624 1.00 1.00 C ATOM 761 CG ARG A 103 -5.775 21.390 -3.647 1.00 1.00 C ATOM 762 CD ARG A 103 -4.766 22.326 -2.981 1.00 1.00 C ATOM 763 NE ARG A 103 -4.217 23.269 -3.996 1.00 1.00 N ATOM 764 CZ ARG A 103 -3.002 23.110 -4.445 1.00 1.00 C ATOM 765 NH1 ARG A 103 -2.500 21.911 -4.559 1.00 1.00 N ATOM 766 NH2 ARG A 103 -2.289 24.151 -4.779 1.00 1.00 N ATOM 0 H ARG A 103 -5.984 18.081 -4.841 1.00 1.00 H new ATOM 0 HA ARG A 103 -4.664 19.106 -3.282 1.00 1.00 H new ATOM 0 HB2 ARG A 103 -7.370 20.328 -2.649 1.00 1.00 H new ATOM 0 HB3 ARG A 103 -5.998 20.682 -1.618 1.00 1.00 H new ATOM 0 HG2 ARG A 103 -5.309 20.875 -4.487 1.00 1.00 H new ATOM 0 HG3 ARG A 103 -6.610 21.964 -4.048 1.00 1.00 H new ATOM 0 HD2 ARG A 103 -5.246 22.881 -2.175 1.00 1.00 H new ATOM 0 HD3 ARG A 103 -3.958 21.747 -2.532 1.00 1.00 H new ATOM 0 HE ARG A 103 -4.791 24.039 -4.340 1.00 1.00 H new ATOM 0 HH11 ARG A 103 -3.057 21.098 -4.297 1.00 1.00 H new ATOM 0 HH12 ARG A 103 -1.550 21.787 -4.910 1.00 1.00 H new ATOM 0 HH21 ARG A 103 -2.681 25.088 -4.689 1.00 1.00 H new ATOM 0 HH22 ARG A 103 -1.339 24.027 -5.130 1.00 1.00 H new ATOM 767 N ASN A 104 -5.220 18.666 -0.581 1.00 1.00 N ATOM 768 CA ASN A 104 -5.199 17.889 0.691 1.00 1.00 C ATOM 769 C ASN A 104 -4.878 18.834 1.853 1.00 1.00 C ATOM 770 O ASN A 104 -3.864 18.687 2.507 1.00 1.00 O ATOM 771 CB ASN A 104 -4.127 16.800 0.608 1.00 1.00 C ATOM 772 CG ASN A 104 -2.958 17.293 -0.248 1.00 1.00 C ATOM 773 OD1 ASN A 104 -2.528 16.614 -1.159 1.00 1.00 O ATOM 774 ND2 ASN A 104 -2.423 18.456 0.007 1.00 1.00 N ATOM 0 H ASN A 104 -4.835 19.608 -0.517 1.00 1.00 H new ATOM 0 HA ASN A 104 -6.172 17.426 0.853 1.00 1.00 H new ATOM 0 HB2 ASN A 104 -3.776 16.544 1.608 1.00 1.00 H new ATOM 0 HB3 ASN A 104 -4.549 15.892 0.177 1.00 1.00 H new ATOM 0 HD21 ASN A 104 -1.644 18.794 -0.558 1.00 1.00 H new ATOM 0 HD22 ASN A 104 -2.784 19.027 0.772 1.00 1.00 H new ATOM 775 N PRO A 105 -5.753 19.784 2.073 1.00 1.00 N ATOM 776 CA PRO A 105 -5.582 20.762 3.138 1.00 1.00 C ATOM 777 C PRO A 105 -5.809 20.108 4.505 1.00 1.00 C ATOM 778 O PRO A 105 -5.683 20.741 5.535 1.00 1.00 O ATOM 779 CB PRO A 105 -6.643 21.820 2.859 1.00 1.00 C ATOM 780 CG PRO A 105 -7.734 21.044 2.059 1.00 1.00 C ATOM 781 CD PRO A 105 -6.974 19.941 1.267 1.00 1.00 C ATOM 0 HA PRO A 105 -4.577 21.184 3.161 1.00 1.00 H new ATOM 0 HB2 PRO A 105 -7.044 22.238 3.782 1.00 1.00 H new ATOM 0 HB3 PRO A 105 -6.238 22.651 2.282 1.00 1.00 H new ATOM 0 HG2 PRO A 105 -8.473 20.605 2.730 1.00 1.00 H new ATOM 0 HG3 PRO A 105 -8.272 21.710 1.384 1.00 1.00 H new ATOM 0 HD2 PRO A 105 -7.545 19.015 1.204 1.00 1.00 H new ATOM 0 HD3 PRO A 105 -6.753 20.249 0.245 1.00 1.00 H new ATOM 782 N ASP A 106 -6.140 18.846 4.523 1.00 1.00 N ATOM 783 CA ASP A 106 -6.369 18.151 5.819 1.00 1.00 C ATOM 784 C ASP A 106 -5.583 16.839 5.831 1.00 1.00 C ATOM 785 O ASP A 106 -5.934 15.897 5.152 1.00 1.00 O ATOM 786 CB ASP A 106 -7.862 17.855 5.984 1.00 1.00 C ATOM 787 CG ASP A 106 -8.166 17.568 7.456 1.00 1.00 C ATOM 788 OD1 ASP A 106 -7.239 17.240 8.178 1.00 1.00 O ATOM 789 OD2 ASP A 106 -9.319 17.682 7.835 1.00 1.00 O ATOM 0 H ASP A 106 -6.262 18.266 3.693 1.00 1.00 H new ATOM 0 HA ASP A 106 -6.035 18.786 6.640 1.00 1.00 H new ATOM 0 HB2 ASP A 106 -8.452 18.704 5.639 1.00 1.00 H new ATOM 0 HB3 ASP A 106 -8.144 17.000 5.370 1.00 1.00 H new ATOM 790 N ASN A 107 -4.520 16.786 6.592 1.00 1.00 N ATOM 791 CA ASN A 107 -3.682 15.551 6.665 1.00 1.00 C ATOM 792 C ASN A 107 -4.569 14.309 6.599 1.00 1.00 C ATOM 793 O ASN A 107 -5.037 13.806 7.600 1.00 1.00 O ATOM 794 CB ASN A 107 -2.898 15.545 7.978 1.00 1.00 C ATOM 795 CG ASN A 107 -1.428 15.230 7.692 1.00 1.00 C ATOM 796 OD1 ASN A 107 -0.977 15.349 6.571 1.00 1.00 O ATOM 797 ND2 ASN A 107 -0.657 14.829 8.666 1.00 1.00 N ATOM 0 H ASN A 107 -4.193 17.557 7.174 1.00 1.00 H new ATOM 0 HA ASN A 107 -2.991 15.540 5.822 1.00 1.00 H new ATOM 0 HB2 ASN A 107 -2.984 16.514 8.470 1.00 1.00 H new ATOM 0 HB3 ASN A 107 -3.314 14.803 8.659 1.00 1.00 H new ATOM 0 HD21 ASN A 107 0.324 14.616 8.485 1.00 1.00 H new ATOM 0 HD22 ASN A 107 -1.035 14.729 9.608 1.00 1.00 H new ATOM 798 N ARG A 108 -4.804 13.821 5.417 1.00 1.00 N ATOM 799 CA ARG A 108 -5.664 12.616 5.256 1.00 1.00 C ATOM 800 C ARG A 108 -4.842 11.477 4.649 1.00 1.00 C ATOM 801 O ARG A 108 -5.369 10.443 4.288 1.00 1.00 O ATOM 802 CB ARG A 108 -6.827 12.955 4.324 1.00 1.00 C ATOM 803 CG ARG A 108 -8.063 13.294 5.157 1.00 1.00 C ATOM 804 CD ARG A 108 -8.899 12.031 5.358 1.00 1.00 C ATOM 805 NE ARG A 108 -9.173 11.841 6.810 1.00 1.00 N ATOM 806 CZ ARG A 108 -9.315 10.638 7.297 1.00 1.00 C ATOM 807 NH1 ARG A 108 -8.266 9.892 7.509 1.00 1.00 N ATOM 808 NH2 ARG A 108 -10.507 10.182 7.570 1.00 1.00 N ATOM 0 H ARG A 108 -4.435 14.207 4.548 1.00 1.00 H new ATOM 0 HA ARG A 108 -6.047 12.306 6.228 1.00 1.00 H new ATOM 0 HB2 ARG A 108 -6.562 13.798 3.686 1.00 1.00 H new ATOM 0 HB3 ARG A 108 -7.038 12.112 3.666 1.00 1.00 H new ATOM 0 HG2 ARG A 108 -7.764 13.703 6.122 1.00 1.00 H new ATOM 0 HG3 ARG A 108 -8.655 14.060 4.655 1.00 1.00 H new ATOM 0 HD2 ARG A 108 -9.837 12.112 4.808 1.00 1.00 H new ATOM 0 HD3 ARG A 108 -8.370 11.165 4.961 1.00 1.00 H new ATOM 0 HE ARG A 108 -9.250 12.652 7.424 1.00 1.00 H new ATOM 0 HH11 ARG A 108 -7.335 10.249 7.294 1.00 1.00 H new ATOM 0 HH12 ARG A 108 -8.377 8.952 7.889 1.00 1.00 H new ATOM 0 HH21 ARG A 108 -11.327 10.765 7.403 1.00 1.00 H new ATOM 0 HH22 ARG A 108 -10.619 9.242 7.950 1.00 1.00 H new ATOM 809 N ARG A 109 -3.555 11.657 4.530 1.00 1.00 N ATOM 810 CA ARG A 109 -2.704 10.584 3.942 1.00 1.00 C ATOM 811 C ARG A 109 -3.228 10.230 2.549 1.00 1.00 C ATOM 812 O ARG A 109 -2.986 9.154 2.040 1.00 1.00 O ATOM 813 CB ARG A 109 -2.754 9.343 4.837 1.00 1.00 C ATOM 814 CG ARG A 109 -1.502 8.495 4.603 1.00 1.00 C ATOM 815 CD ARG A 109 -1.674 7.132 5.275 1.00 1.00 C ATOM 816 NE ARG A 109 -0.854 7.083 6.517 1.00 1.00 N ATOM 817 CZ ARG A 109 0.438 7.257 6.454 1.00 1.00 C ATOM 818 NH1 ARG A 109 1.126 6.695 5.499 1.00 1.00 N ATOM 819 NH2 ARG A 109 1.042 7.993 7.347 1.00 1.00 N ATOM 0 H ARG A 109 -3.056 12.500 4.814 1.00 1.00 H new ATOM 0 HA ARG A 109 -1.675 10.934 3.867 1.00 1.00 H new ATOM 0 HB2 ARG A 109 -2.815 9.639 5.884 1.00 1.00 H new ATOM 0 HB3 ARG A 109 -3.648 8.759 4.618 1.00 1.00 H new ATOM 0 HG2 ARG A 109 -1.332 8.366 3.534 1.00 1.00 H new ATOM 0 HG3 ARG A 109 -0.626 9.003 5.006 1.00 1.00 H new ATOM 0 HD2 ARG A 109 -2.724 6.962 5.513 1.00 1.00 H new ATOM 0 HD3 ARG A 109 -1.369 6.338 4.594 1.00 1.00 H new ATOM 0 HE ARG A 109 -1.302 6.913 7.417 1.00 1.00 H new ATOM 0 HH11 ARG A 109 0.654 6.120 4.801 1.00 1.00 H new ATOM 0 HH12 ARG A 109 2.136 6.831 5.450 1.00 1.00 H new ATOM 0 HH21 ARG A 109 0.504 8.432 8.094 1.00 1.00 H new ATOM 0 HH22 ARG A 109 2.052 8.129 7.298 1.00 1.00 H new ATOM 820 N ARG A 110 -3.945 11.128 1.930 1.00 1.00 N ATOM 821 CA ARG A 110 -4.484 10.843 0.571 1.00 1.00 C ATOM 822 C ARG A 110 -5.253 12.071 0.059 1.00 1.00 C ATOM 823 O ARG A 110 -6.179 12.524 0.703 1.00 1.00 O ATOM 824 CB ARG A 110 -5.434 9.646 0.645 1.00 1.00 C ATOM 825 CG ARG A 110 -5.488 8.952 -0.717 1.00 1.00 C ATOM 826 CD ARG A 110 -6.085 7.554 -0.554 1.00 1.00 C ATOM 827 NE ARG A 110 -5.170 6.716 0.271 1.00 1.00 N ATOM 828 CZ ARG A 110 -5.557 6.286 1.441 1.00 1.00 C ATOM 829 NH1 ARG A 110 -6.556 5.451 1.532 1.00 1.00 N ATOM 830 NH2 ARG A 110 -4.944 6.690 2.521 1.00 1.00 N ATOM 0 H ARG A 110 -4.180 12.046 2.307 1.00 1.00 H new ATOM 0 HA ARG A 110 -3.662 10.618 -0.108 1.00 1.00 H new ATOM 0 HB2 ARG A 110 -5.095 8.946 1.409 1.00 1.00 H new ATOM 0 HB3 ARG A 110 -6.431 9.977 0.936 1.00 1.00 H new ATOM 0 HG2 ARG A 110 -6.090 9.537 -1.412 1.00 1.00 H new ATOM 0 HG3 ARG A 110 -4.487 8.884 -1.142 1.00 1.00 H new ATOM 0 HD2 ARG A 110 -7.064 7.618 -0.079 1.00 1.00 H new ATOM 0 HD3 ARG A 110 -6.234 7.095 -1.531 1.00 1.00 H new ATOM 0 HE ARG A 110 -4.242 6.478 -0.078 1.00 1.00 H new ATOM 0 HH11 ARG A 110 -7.034 5.134 0.689 1.00 1.00 H new ATOM 0 HH12 ARG A 110 -6.858 5.115 2.446 1.00 1.00 H new ATOM 0 HH21 ARG A 110 -4.163 7.342 2.450 1.00 1.00 H new ATOM 0 HH22 ARG A 110 -5.247 6.354 3.435 1.00 1.00 H new ATOM 831 N PRO A 111 -4.849 12.579 -1.082 1.00 1.00 N ATOM 832 CA PRO A 111 -5.490 13.746 -1.676 1.00 1.00 C ATOM 833 C PRO A 111 -7.006 13.541 -1.771 1.00 1.00 C ATOM 834 O PRO A 111 -7.493 12.826 -2.624 1.00 1.00 O ATOM 835 CB PRO A 111 -4.878 13.852 -3.069 1.00 1.00 C ATOM 836 CG PRO A 111 -3.501 13.134 -2.918 1.00 1.00 C ATOM 837 CD PRO A 111 -3.725 12.024 -1.853 1.00 1.00 C ATOM 0 HA PRO A 111 -5.335 14.648 -1.084 1.00 1.00 H new ATOM 0 HB2 PRO A 111 -5.503 13.368 -3.820 1.00 1.00 H new ATOM 0 HB3 PRO A 111 -4.757 14.891 -3.376 1.00 1.00 H new ATOM 0 HG2 PRO A 111 -3.175 12.707 -3.867 1.00 1.00 H new ATOM 0 HG3 PRO A 111 -2.727 13.833 -2.600 1.00 1.00 H new ATOM 0 HD2 PRO A 111 -3.973 11.064 -2.307 1.00 1.00 H new ATOM 0 HD3 PRO A 111 -2.842 11.865 -1.234 1.00 1.00 H new ATOM 838 N TRP A 112 -7.755 14.172 -0.908 1.00 1.00 N ATOM 839 CA TRP A 112 -9.239 14.027 -0.953 1.00 1.00 C ATOM 840 C TRP A 112 -9.844 15.287 -1.568 1.00 1.00 C ATOM 841 O TRP A 112 -9.172 16.283 -1.749 1.00 1.00 O ATOM 842 CB TRP A 112 -9.780 13.849 0.463 1.00 1.00 C ATOM 843 CG TRP A 112 -9.169 14.883 1.345 1.00 1.00 C ATOM 844 CD1 TRP A 112 -8.036 14.715 2.057 1.00 1.00 C ATOM 845 CD2 TRP A 112 -9.629 16.238 1.611 1.00 1.00 C ATOM 846 NE1 TRP A 112 -7.767 15.883 2.750 1.00 1.00 N ATOM 847 CE2 TRP A 112 -8.723 16.851 2.508 1.00 1.00 C ATOM 848 CE3 TRP A 112 -10.736 16.986 1.166 1.00 1.00 C ATOM 849 CZ2 TRP A 112 -8.909 18.164 2.948 1.00 1.00 C ATOM 850 CZ3 TRP A 112 -10.927 18.306 1.607 1.00 1.00 C ATOM 851 CH2 TRP A 112 -10.015 18.893 2.496 1.00 1.00 C ATOM 0 H TRP A 112 -7.403 14.783 -0.172 1.00 1.00 H new ATOM 0 HA TRP A 112 -9.503 13.156 -1.553 1.00 1.00 H new ATOM 0 HB2 TRP A 112 -10.866 13.944 0.467 1.00 1.00 H new ATOM 0 HB3 TRP A 112 -9.546 12.851 0.834 1.00 1.00 H new ATOM 0 HD1 TRP A 112 -7.437 13.817 2.082 1.00 1.00 H new ATOM 0 HE1 TRP A 112 -6.963 16.013 3.363 1.00 1.00 H new ATOM 0 HE3 TRP A 112 -11.443 16.542 0.481 1.00 1.00 H new ATOM 0 HZ2 TRP A 112 -8.204 18.613 3.632 1.00 1.00 H new ATOM 0 HZ3 TRP A 112 -11.780 18.871 1.260 1.00 1.00 H new ATOM 0 HH2 TRP A 112 -10.166 19.908 2.832 1.00 1.00 H new ATOM 852 N CYS A 113 -11.105 15.257 -1.891 1.00 1.00 N ATOM 853 CA CYS A 113 -11.741 16.461 -2.494 1.00 1.00 C ATOM 854 C CYS A 113 -13.203 16.547 -2.053 1.00 1.00 C ATOM 855 O CYS A 113 -13.849 15.547 -1.815 1.00 1.00 O ATOM 856 CB CYS A 113 -11.678 16.355 -4.016 1.00 1.00 C ATOM 857 SG CYS A 113 -13.002 15.265 -4.592 1.00 1.00 S ATOM 0 H CYS A 113 -11.722 14.454 -1.765 1.00 1.00 H new ATOM 0 HA CYS A 113 -11.211 17.354 -2.164 1.00 1.00 H new ATOM 0 HB2 CYS A 113 -11.782 17.342 -4.466 1.00 1.00 H new ATOM 0 HB3 CYS A 113 -10.709 15.964 -4.325 1.00 1.00 H new ATOM 858 N TYR A 114 -13.732 17.735 -1.950 1.00 1.00 N ATOM 859 CA TYR A 114 -15.155 17.888 -1.534 1.00 1.00 C ATOM 860 C TYR A 114 -16.063 17.520 -2.710 1.00 1.00 C ATOM 861 O TYR A 114 -16.570 18.377 -3.407 1.00 1.00 O ATOM 862 CB TYR A 114 -15.410 19.341 -1.120 1.00 1.00 C ATOM 863 CG TYR A 114 -14.934 19.555 0.300 1.00 1.00 C ATOM 864 CD1 TYR A 114 -15.640 18.982 1.367 1.00 1.00 C ATOM 865 CD2 TYR A 114 -13.788 20.318 0.547 1.00 1.00 C ATOM 866 CE1 TYR A 114 -15.199 19.176 2.682 1.00 1.00 C ATOM 867 CE2 TYR A 114 -13.346 20.511 1.862 1.00 1.00 C ATOM 868 CZ TYR A 114 -14.051 19.940 2.930 1.00 1.00 C ATOM 869 OH TYR A 114 -13.615 20.129 4.224 1.00 1.00 O ATOM 0 H TYR A 114 -13.239 18.608 -2.136 1.00 1.00 H new ATOM 0 HA TYR A 114 -15.367 17.231 -0.690 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -14.888 20.019 -1.795 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -16.473 19.570 -1.196 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -16.524 18.391 1.175 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -13.244 20.758 -0.276 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -15.744 18.737 3.505 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -12.461 21.100 2.053 1.00 1.00 H new ATOM 0 HH TYR A 114 -12.662 20.359 4.218 1.00 1.00 H new ATOM 870 N VAL A 115 -16.273 16.249 -2.937 1.00 1.00 N ATOM 871 CA VAL A 115 -17.150 15.831 -4.068 1.00 1.00 C ATOM 872 C VAL A 115 -18.567 15.593 -3.539 1.00 1.00 C ATOM 873 O VAL A 115 -18.759 15.076 -2.456 1.00 1.00 O ATOM 874 CB VAL A 115 -16.592 14.550 -4.715 1.00 1.00 C ATOM 875 CG1 VAL A 115 -16.004 13.633 -3.641 1.00 1.00 C ATOM 876 CG2 VAL A 115 -17.707 13.808 -5.461 1.00 1.00 C ATOM 0 H VAL A 115 -15.876 15.486 -2.389 1.00 1.00 H new ATOM 0 HA VAL A 115 -17.178 16.614 -4.826 1.00 1.00 H new ATOM 0 HB VAL A 115 -15.809 14.829 -5.420 1.00 1.00 H new ATOM 0 HG11 VAL A 115 -15.612 12.730 -4.109 1.00 1.00 H new ATOM 0 HG12 VAL A 115 -15.198 14.151 -3.121 1.00 1.00 H new ATOM 0 HG13 VAL A 115 -16.782 13.363 -2.927 1.00 1.00 H new ATOM 0 HG21 VAL A 115 -17.302 12.904 -5.915 1.00 1.00 H new ATOM 0 HG22 VAL A 115 -18.497 13.539 -4.760 1.00 1.00 H new ATOM 0 HG23 VAL A 115 -18.116 14.453 -6.239 1.00 1.00 H new ATOM 877 N GLN A 116 -19.558 15.978 -4.293 1.00 1.00 N ATOM 878 CA GLN A 116 -20.963 15.791 -3.839 1.00 1.00 C ATOM 879 C GLN A 116 -21.246 14.304 -3.624 1.00 1.00 C ATOM 880 O GLN A 116 -21.101 13.497 -4.520 1.00 1.00 O ATOM 881 CB GLN A 116 -21.916 16.344 -4.899 1.00 1.00 C ATOM 882 CG GLN A 116 -22.705 17.518 -4.316 1.00 1.00 C ATOM 883 CD GLN A 116 -24.204 17.228 -4.421 1.00 1.00 C ATOM 884 OE1 GLN A 116 -24.953 17.499 -3.504 1.00 1.00 O ATOM 885 NE2 GLN A 116 -24.676 16.684 -5.510 1.00 1.00 N ATOM 0 H GLN A 116 -19.454 16.416 -5.208 1.00 1.00 H new ATOM 0 HA GLN A 116 -21.112 16.323 -2.899 1.00 1.00 H new ATOM 0 HB2 GLN A 116 -21.354 16.669 -5.774 1.00 1.00 H new ATOM 0 HB3 GLN A 116 -22.599 15.563 -5.232 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -22.426 17.676 -3.274 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -22.463 18.435 -4.853 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -24.047 16.456 -6.280 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -25.673 16.487 -5.591 1.00 1.00 H new ATOM 886 N VAL A 117 -21.659 13.940 -2.441 1.00 1.00 N ATOM 887 CA VAL A 117 -21.964 12.508 -2.164 1.00 1.00 C ATOM 888 C VAL A 117 -23.453 12.369 -1.864 1.00 1.00 C ATOM 889 O VAL A 117 -23.896 11.398 -1.282 1.00 1.00 O ATOM 890 CB VAL A 117 -21.154 12.025 -0.959 1.00 1.00 C ATOM 891 CG1 VAL A 117 -21.536 10.579 -0.636 1.00 1.00 C ATOM 892 CG2 VAL A 117 -19.661 12.096 -1.288 1.00 1.00 C ATOM 0 H VAL A 117 -21.799 14.573 -1.654 1.00 1.00 H new ATOM 0 HA VAL A 117 -21.700 11.905 -3.033 1.00 1.00 H new ATOM 0 HB VAL A 117 -21.368 12.659 -0.098 1.00 1.00 H new ATOM 0 HG11 VAL A 117 -20.960 10.233 0.222 1.00 1.00 H new ATOM 0 HG12 VAL A 117 -22.600 10.527 -0.404 1.00 1.00 H new ATOM 0 HG13 VAL A 117 -21.321 9.945 -1.496 1.00 1.00 H new ATOM 0 HG21 VAL A 117 -19.083 11.752 -0.430 1.00 1.00 H new ATOM 0 HG22 VAL A 117 -19.447 11.461 -2.148 1.00 1.00 H new ATOM 0 HG23 VAL A 117 -19.388 13.125 -1.520 1.00 1.00 H new ATOM 893 N GLY A 118 -24.226 13.336 -2.262 1.00 1.00 N ATOM 894 CA GLY A 118 -25.690 13.273 -2.009 1.00 1.00 C ATOM 895 C GLY A 118 -26.079 14.305 -0.955 1.00 1.00 C ATOM 896 O GLY A 118 -26.259 15.470 -1.248 1.00 1.00 O ATOM 0 H GLY A 118 -23.907 14.171 -2.754 1.00 1.00 H new ATOM 0 HA2 GLY A 118 -26.236 13.461 -2.933 1.00 1.00 H new ATOM 0 HA3 GLY A 118 -25.967 12.274 -1.672 1.00 1.00 H new ATOM 897 N LEU A 119 -26.216 13.886 0.268 1.00 1.00 N ATOM 898 CA LEU A 119 -26.600 14.843 1.340 1.00 1.00 C ATOM 899 C LEU A 119 -25.686 16.066 1.283 1.00 1.00 C ATOM 900 O LEU A 119 -26.134 17.184 1.127 1.00 1.00 O ATOM 901 CB LEU A 119 -26.454 14.165 2.703 1.00 1.00 C ATOM 902 CG LEU A 119 -26.950 12.723 2.610 1.00 1.00 C ATOM 903 CD1 LEU A 119 -25.752 11.771 2.606 1.00 1.00 C ATOM 904 CD2 LEU A 119 -27.846 12.418 3.810 1.00 1.00 C ATOM 0 H LEU A 119 -26.079 12.922 0.573 1.00 1.00 H new ATOM 0 HA LEU A 119 -27.635 15.154 1.195 1.00 1.00 H new ATOM 0 HB2 LEU A 119 -25.411 14.182 3.020 1.00 1.00 H new ATOM 0 HB3 LEU A 119 -27.025 14.710 3.455 1.00 1.00 H new ATOM 0 HG LEU A 119 -27.519 12.590 1.690 1.00 1.00 H new ATOM 0 HD11 LEU A 119 -26.105 10.742 2.540 1.00 1.00 H new ATOM 0 HD12 LEU A 119 -25.115 11.992 1.750 1.00 1.00 H new ATOM 0 HD13 LEU A 119 -25.182 11.900 3.526 1.00 1.00 H new ATOM 0 HD21 LEU A 119 -28.202 11.390 3.746 1.00 1.00 H new ATOM 0 HD22 LEU A 119 -27.278 12.549 4.731 1.00 1.00 H new ATOM 0 HD23 LEU A 119 -28.698 13.097 3.810 1.00 1.00 H new ATOM 905 N LYS A 120 -24.406 15.858 1.412 1.00 1.00 N ATOM 906 CA LYS A 120 -23.454 17.008 1.370 1.00 1.00 C ATOM 907 C LYS A 120 -22.119 16.560 0.763 1.00 1.00 C ATOM 908 O LYS A 120 -21.758 15.403 0.854 1.00 1.00 O ATOM 909 CB LYS A 120 -23.214 17.539 2.789 1.00 1.00 C ATOM 910 CG LYS A 120 -23.446 16.424 3.812 1.00 1.00 C ATOM 911 CD LYS A 120 -22.600 16.692 5.059 1.00 1.00 C ATOM 912 CE LYS A 120 -23.516 17.033 6.236 1.00 1.00 C ATOM 913 NZ LYS A 120 -23.639 15.847 7.130 1.00 1.00 N ATOM 0 H LYS A 120 -23.976 14.943 1.545 1.00 1.00 H new ATOM 0 HA LYS A 120 -23.884 17.798 0.755 1.00 1.00 H new ATOM 0 HB2 LYS A 120 -22.196 17.918 2.877 1.00 1.00 H new ATOM 0 HB3 LYS A 120 -23.884 18.375 2.992 1.00 1.00 H new ATOM 0 HG2 LYS A 120 -24.502 16.375 4.079 1.00 1.00 H new ATOM 0 HG3 LYS A 120 -23.181 15.459 3.380 1.00 1.00 H new ATOM 0 HD2 LYS A 120 -21.996 15.816 5.297 1.00 1.00 H new ATOM 0 HD3 LYS A 120 -21.909 17.514 4.872 1.00 1.00 H new ATOM 0 HE2 LYS A 120 -23.113 17.880 6.791 1.00 1.00 H new ATOM 0 HE3 LYS A 120 -24.499 17.330 5.871 1.00 1.00 H new ATOM 0 HZ1 LYS A 120 -24.262 16.079 7.930 1.00 1.00 H new ATOM 0 HZ2 LYS A 120 -24.042 15.051 6.597 1.00 1.00 H new ATOM 0 HZ3 LYS A 120 -22.699 15.583 7.488 1.00 1.00 H new ATOM 914 N PRO A 121 -21.416 17.497 0.175 1.00 1.00 N ATOM 915 CA PRO A 121 -20.119 17.223 -0.428 1.00 1.00 C ATOM 916 C PRO A 121 -19.202 16.543 0.590 1.00 1.00 C ATOM 917 O PRO A 121 -18.763 17.152 1.546 1.00 1.00 O ATOM 918 CB PRO A 121 -19.569 18.596 -0.798 1.00 1.00 C ATOM 919 CG PRO A 121 -20.850 19.477 -0.942 1.00 1.00 C ATOM 920 CD PRO A 121 -21.876 18.890 0.068 1.00 1.00 C ATOM 0 HA PRO A 121 -20.191 16.560 -1.290 1.00 1.00 H new ATOM 0 HB2 PRO A 121 -18.902 18.982 -0.027 1.00 1.00 H new ATOM 0 HB3 PRO A 121 -18.999 18.563 -1.726 1.00 1.00 H new ATOM 0 HG2 PRO A 121 -20.634 20.522 -0.719 1.00 1.00 H new ATOM 0 HG3 PRO A 121 -21.238 19.442 -1.960 1.00 1.00 H new ATOM 0 HD2 PRO A 121 -21.849 19.406 1.028 1.00 1.00 H new ATOM 0 HD3 PRO A 121 -22.899 18.957 -0.301 1.00 1.00 H new ATOM 921 N LEU A 122 -18.905 15.291 0.395 1.00 1.00 N ATOM 922 CA LEU A 122 -18.012 14.584 1.355 1.00 1.00 C ATOM 923 C LEU A 122 -16.596 14.537 0.782 1.00 1.00 C ATOM 924 O LEU A 122 -16.405 14.463 -0.416 1.00 1.00 O ATOM 925 CB LEU A 122 -18.525 13.160 1.578 1.00 1.00 C ATOM 926 CG LEU A 122 -18.970 13.002 3.032 1.00 1.00 C ATOM 927 CD1 LEU A 122 -19.466 11.574 3.264 1.00 1.00 C ATOM 928 CD2 LEU A 122 -17.786 13.286 3.959 1.00 1.00 C ATOM 0 H LEU A 122 -19.240 14.726 -0.385 1.00 1.00 H new ATOM 0 HA LEU A 122 -18.003 15.115 2.307 1.00 1.00 H new ATOM 0 HB2 LEU A 122 -19.358 12.953 0.907 1.00 1.00 H new ATOM 0 HB3 LEU A 122 -17.741 12.439 1.346 1.00 1.00 H new ATOM 0 HG LEU A 122 -19.776 13.704 3.243 1.00 1.00 H new ATOM 0 HD11 LEU A 122 -19.783 11.463 4.301 1.00 1.00 H new ATOM 0 HD12 LEU A 122 -20.308 11.370 2.603 1.00 1.00 H new ATOM 0 HD13 LEU A 122 -18.661 10.870 3.053 1.00 1.00 H new ATOM 0 HD21 LEU A 122 -18.101 13.174 4.996 1.00 1.00 H new ATOM 0 HD22 LEU A 122 -16.981 12.583 3.746 1.00 1.00 H new ATOM 0 HD23 LEU A 122 -17.432 14.304 3.795 1.00 1.00 H new ATOM 929 N VAL A 123 -15.600 14.580 1.622 1.00 1.00 N ATOM 930 CA VAL A 123 -14.204 14.537 1.110 1.00 1.00 C ATOM 931 C VAL A 123 -13.847 13.098 0.735 1.00 1.00 C ATOM 932 O VAL A 123 -13.842 12.210 1.565 1.00 1.00 O ATOM 933 CB VAL A 123 -13.238 15.057 2.183 1.00 1.00 C ATOM 934 CG1 VAL A 123 -13.864 16.258 2.893 1.00 1.00 C ATOM 935 CG2 VAL A 123 -12.946 13.956 3.208 1.00 1.00 C ATOM 0 H VAL A 123 -15.692 14.643 2.636 1.00 1.00 H new ATOM 0 HA VAL A 123 -14.120 15.171 0.227 1.00 1.00 H new ATOM 0 HB VAL A 123 -12.305 15.356 1.706 1.00 1.00 H new ATOM 0 HG11 VAL A 123 -13.178 16.628 3.655 1.00 1.00 H new ATOM 0 HG12 VAL A 123 -14.060 17.048 2.168 1.00 1.00 H new ATOM 0 HG13 VAL A 123 -14.800 15.956 3.363 1.00 1.00 H new ATOM 0 HG21 VAL A 123 -12.260 14.336 3.965 1.00 1.00 H new ATOM 0 HG22 VAL A 123 -13.876 13.647 3.685 1.00 1.00 H new ATOM 0 HG23 VAL A 123 -12.494 13.101 2.705 1.00 1.00 H new ATOM 936 N GLN A 124 -13.550 12.860 -0.508 1.00 1.00 N ATOM 937 CA GLN A 124 -13.194 11.483 -0.934 1.00 1.00 C ATOM 938 C GLN A 124 -11.732 11.459 -1.371 1.00 1.00 C ATOM 939 O GLN A 124 -11.333 12.174 -2.268 1.00 1.00 O ATOM 940 CB GLN A 124 -14.086 11.065 -2.105 1.00 1.00 C ATOM 941 CG GLN A 124 -15.280 10.267 -1.579 1.00 1.00 C ATOM 942 CD GLN A 124 -16.527 11.153 -1.577 1.00 1.00 C ATOM 943 OE1 GLN A 124 -17.387 11.014 -2.424 1.00 1.00 O ATOM 944 NE2 GLN A 124 -16.663 12.065 -0.653 1.00 1.00 N ATOM 0 H GLN A 124 -13.538 13.561 -1.249 1.00 1.00 H new ATOM 0 HA GLN A 124 -13.341 10.791 -0.105 1.00 1.00 H new ATOM 0 HB2 GLN A 124 -14.433 11.947 -2.644 1.00 1.00 H new ATOM 0 HB3 GLN A 124 -13.516 10.463 -2.813 1.00 1.00 H new ATOM 0 HG2 GLN A 124 -15.446 9.389 -2.202 1.00 1.00 H new ATOM 0 HG3 GLN A 124 -15.075 9.908 -0.571 1.00 1.00 H new ATOM 0 HE21 GLN A 124 -15.941 12.182 0.058 1.00 1.00 H new ATOM 0 HE22 GLN A 124 -17.491 12.661 -0.642 1.00 1.00 H new ATOM 945 N GLU A 125 -10.930 10.642 -0.745 1.00 1.00 N ATOM 946 CA GLU A 125 -9.493 10.567 -1.127 1.00 1.00 C ATOM 947 C GLU A 125 -9.398 10.260 -2.624 1.00 1.00 C ATOM 948 O GLU A 125 -9.350 9.115 -3.022 1.00 1.00 O ATOM 949 CB GLU A 125 -8.818 9.447 -0.333 1.00 1.00 C ATOM 950 CG GLU A 125 -9.324 9.472 1.110 1.00 1.00 C ATOM 951 CD GLU A 125 -8.214 9.002 2.052 1.00 1.00 C ATOM 952 OE1 GLU A 125 -7.933 7.815 2.058 1.00 1.00 O ATOM 953 OE2 GLU A 125 -7.664 9.837 2.751 1.00 1.00 O ATOM 0 H GLU A 125 -11.209 10.022 0.016 1.00 1.00 H new ATOM 0 HA GLU A 125 -8.997 11.513 -0.910 1.00 1.00 H new ATOM 0 HB2 GLU A 125 -9.035 8.481 -0.789 1.00 1.00 H new ATOM 0 HB3 GLU A 125 -7.736 9.573 -0.353 1.00 1.00 H new ATOM 0 HG2 GLU A 125 -9.639 10.480 1.378 1.00 1.00 H new ATOM 0 HG3 GLU A 125 -10.197 8.828 1.211 1.00 1.00 H new ATOM 954 N CYS A 126 -9.385 11.273 -3.453 1.00 1.00 N ATOM 955 CA CYS A 126 -9.310 11.045 -4.927 1.00 1.00 C ATOM 956 C CYS A 126 -8.369 9.875 -5.227 1.00 1.00 C ATOM 957 O CYS A 126 -7.182 9.940 -4.975 1.00 1.00 O ATOM 958 CB CYS A 126 -8.779 12.308 -5.607 1.00 1.00 C ATOM 959 SG CYS A 126 -9.888 13.694 -5.254 1.00 1.00 S ATOM 0 H CYS A 126 -9.423 12.252 -3.170 1.00 1.00 H new ATOM 0 HA CYS A 126 -10.305 10.811 -5.305 1.00 1.00 H new ATOM 0 HB2 CYS A 126 -7.774 12.532 -5.249 1.00 1.00 H new ATOM 0 HB3 CYS A 126 -8.706 12.151 -6.683 1.00 1.00 H new ATOM 960 N MET A 127 -8.890 8.804 -5.762 1.00 1.00 N ATOM 961 CA MET A 127 -8.026 7.630 -6.075 1.00 1.00 C ATOM 962 C MET A 127 -6.725 8.109 -6.724 1.00 1.00 C ATOM 963 O MET A 127 -6.736 8.798 -7.724 1.00 1.00 O ATOM 964 CB MET A 127 -8.764 6.697 -7.038 1.00 1.00 C ATOM 965 CG MET A 127 -9.383 5.539 -6.254 1.00 1.00 C ATOM 966 SD MET A 127 -9.005 3.976 -7.087 1.00 1.00 S ATOM 967 CE MET A 127 -10.629 3.726 -7.846 1.00 1.00 C ATOM 0 H MET A 127 -9.876 8.691 -5.996 1.00 1.00 H new ATOM 0 HA MET A 127 -7.795 7.094 -5.154 1.00 1.00 H new ATOM 0 HB2 MET A 127 -9.541 7.247 -7.569 1.00 1.00 H new ATOM 0 HB3 MET A 127 -8.074 6.313 -7.790 1.00 1.00 H new ATOM 0 HG2 MET A 127 -8.993 5.525 -5.236 1.00 1.00 H new ATOM 0 HG3 MET A 127 -10.462 5.672 -6.179 1.00 1.00 H new ATOM 0 HE1 MET A 127 -10.623 2.800 -8.421 1.00 1.00 H new ATOM 0 HE2 MET A 127 -11.389 3.665 -7.067 1.00 1.00 H new ATOM 0 HE3 MET A 127 -10.854 4.562 -8.508 1.00 1.00 H new ATOM 968 N VAL A 128 -5.604 7.747 -6.161 1.00 1.00 N ATOM 969 CA VAL A 128 -4.303 8.180 -6.744 1.00 1.00 C ATOM 970 C VAL A 128 -3.343 6.989 -6.782 1.00 1.00 C ATOM 971 O VAL A 128 -2.164 7.121 -6.520 1.00 1.00 O ATOM 972 CB VAL A 128 -3.701 9.291 -5.883 1.00 1.00 C ATOM 973 CG1 VAL A 128 -3.492 8.776 -4.458 1.00 1.00 C ATOM 974 CG2 VAL A 128 -2.355 9.718 -6.471 1.00 1.00 C ATOM 0 H VAL A 128 -5.533 7.170 -5.323 1.00 1.00 H new ATOM 0 HA VAL A 128 -4.464 8.553 -7.756 1.00 1.00 H new ATOM 0 HB VAL A 128 -4.379 10.144 -5.866 1.00 1.00 H new ATOM 0 HG11 VAL A 128 -3.063 9.568 -3.844 1.00 1.00 H new ATOM 0 HG12 VAL A 128 -4.450 8.470 -4.038 1.00 1.00 H new ATOM 0 HG13 VAL A 128 -2.814 7.923 -4.475 1.00 1.00 H new ATOM 0 HG21 VAL A 128 -1.925 10.510 -5.858 1.00 1.00 H new ATOM 0 HG22 VAL A 128 -1.678 8.864 -6.488 1.00 1.00 H new ATOM 0 HG23 VAL A 128 -2.502 10.085 -7.487 1.00 1.00 H new ATOM 975 N HIS A 129 -3.838 5.826 -7.105 1.00 1.00 N ATOM 976 CA HIS A 129 -2.953 4.628 -7.159 1.00 1.00 C ATOM 977 C HIS A 129 -2.731 4.222 -8.617 1.00 1.00 C ATOM 978 O HIS A 129 -2.730 5.049 -9.508 1.00 1.00 O ATOM 979 CB HIS A 129 -3.614 3.472 -6.403 1.00 1.00 C ATOM 980 CG HIS A 129 -2.558 2.656 -5.711 1.00 1.00 C ATOM 981 ND1 HIS A 129 -1.299 2.460 -6.256 1.00 1.00 N ATOM 982 CD2 HIS A 129 -2.560 1.978 -4.517 1.00 1.00 C ATOM 983 CE1 HIS A 129 -0.601 1.693 -5.398 1.00 1.00 C ATOM 984 NE2 HIS A 129 -1.324 1.370 -4.322 1.00 1.00 N ATOM 0 H HIS A 129 -4.817 5.653 -7.334 1.00 1.00 H new ATOM 0 HA HIS A 129 -1.994 4.864 -6.698 1.00 1.00 H new ATOM 0 HB2 HIS A 129 -4.325 3.860 -5.673 1.00 1.00 H new ATOM 0 HB3 HIS A 129 -4.177 2.846 -7.095 1.00 1.00 H new ATOM 0 HD2 HIS A 129 -3.394 1.925 -3.833 1.00 1.00 H new ATOM 0 HE1 HIS A 129 0.419 1.377 -5.560 1.00 1.00 H new ATOM 0 HE2 HIS A 129 -1.032 0.800 -3.528 1.00 1.00 H new