USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 591 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 39 CYS SG : rot 80:sc= 1.29 USER MOD Set 1.2: A 41 HIS : no HD1:sc= -5.08! C(o=-3!,f=-11!) USER MOD Set 1.3: A 114 CYS SG : rot 150:sc= 0.753 USER MOD Set 1.4: A 117 CYS SG : rot 121:sc= 0.067 USER MOD Set 2.1: A 106 ASN : amide:sc= -1.7 K(o=-1.4,f=-11!) USER MOD Set 2.2: A 109 THR OG1 : rot 65:sc= 0.257 USER MOD Set 3.1: A 74 CYS SG : rot 90:sc= -1.69 USER MOD Set 3.2: A 79 CYS SG : rot -27:sc= 0.614 USER MOD Set 3.3: A 95 HIS : no HE2:sc= -3.19 X(o=-7.7,f=-7.3) USER MOD Set 3.4: A 99 THR OG1 : rot 157:sc= -0.148 USER MOD Set 3.5: A 101 HIS : no HE2:sc= -3.28 K(o=-7.7,f=-14!) USER MOD Set 4.1: A 96 SER OG : rot 31:sc= -1.28! USER MOD Set 4.2: A 97 GLN : amide:sc= -7.63! C(o=-8.9!,f=-14!) USER MOD Set 5.1: A 92 SER OG : rot -80:sc= 1.03 USER MOD Set 5.2: A 93 THR OG1 : rot -19:sc= 1.42 USER MOD Set 5.3: A 104 THR OG1 : rot 144:sc= -0.183 USER MOD Set 5.4: A 115 TYR OH : rot 180:sc= 0.793 USER MOD Set 6.1: A 61 CYS SG : rot 147:sc= 0.153 USER MOD Set 6.2: A 64 CYS SG : rot -29:sc= 1.11 USER MOD Set 6.3: A 84 CYS SG : rot 180:sc= -1.32 USER MOD Set 6.4: A 91 HIS : no HE2:sc= -1.99 X(o=-2.1,f=-1.8) USER MOD Set 7.1: A 56 LYS NZ :NH3+ -159:sc= 0.0989 (180deg=-0.761) USER MOD Set 7.2: A 80 SER OG : rot 142:sc= 1.48 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot -37:sc= 1.03 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -3.83! C(o=-3.8!,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.74 K(o=-0.74,f=-1.4!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.48 X(o=-0.48,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc=-0.00517 USER MOD Single : A 108 THR OG1 : rot -117:sc= 0.499 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -112:sc= -0.73 (180deg=-3.77!) USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 39 16.378 0.403 3.722 1.00 0.00 N ATOM 60 CA CYS A 39 15.917 -0.684 2.866 1.00 0.00 C ATOM 61 C CYS A 39 15.846 -0.225 1.405 1.00 0.00 C ATOM 62 O CYS A 39 15.349 0.863 1.108 1.00 0.00 O ATOM 63 CB CYS A 39 14.551 -1.192 3.357 1.00 0.00 C ATOM 64 SG CYS A 39 13.425 -1.745 2.053 1.00 0.00 S ATOM 0 HA CYS A 39 16.630 -1.507 2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.715 -2.018 4.049 1.00 0.00 H new ATOM 0 HB3 CYS A 39 14.066 -0.396 3.921 1.00 0.00 H new ATOM 0 HG CYS A 39 13.753 -2.945 1.677 1.00 0.00 H new ATOM 69 N PRO A 40 16.350 -1.054 0.469 1.00 0.00 N ATOM 70 CA PRO A 40 16.352 -0.729 -0.964 1.00 0.00 C ATOM 71 C PRO A 40 14.955 -0.714 -1.578 1.00 0.00 C ATOM 72 O PRO A 40 14.613 0.191 -2.339 1.00 0.00 O ATOM 73 CB PRO A 40 17.187 -1.854 -1.583 1.00 0.00 C ATOM 74 CG PRO A 40 17.058 -2.990 -0.628 1.00 0.00 C ATOM 75 CD PRO A 40 16.965 -2.369 0.736 1.00 0.00 C ATOM 0 HA PRO A 40 16.745 0.272 -1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.817 -2.124 -2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.228 -1.554 -1.704 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.172 -3.587 -0.847 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.917 -3.658 -0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.354 -2.969 1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.946 -2.268 1.200 1.00 0.00 H new ATOM 83 N HIS A 41 14.156 -1.727 -1.254 1.00 0.00 N ATOM 84 CA HIS A 41 12.799 -1.838 -1.785 1.00 0.00 C ATOM 85 C HIS A 41 12.050 -0.507 -1.684 1.00 0.00 C ATOM 86 O HIS A 41 11.552 0.011 -2.684 1.00 0.00 O ATOM 87 CB HIS A 41 12.036 -2.936 -1.041 1.00 0.00 C ATOM 88 CG HIS A 41 12.840 -4.185 -0.830 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.314 -4.533 0.412 1.00 0.00 N ATOM 90 CD2 HIS A 41 13.236 -5.116 -1.732 1.00 0.00 C ATOM 91 CE1 HIS A 41 13.984 -5.659 0.241 1.00 0.00 C ATOM 92 NE2 HIS A 41 13.965 -6.051 -1.042 1.00 0.00 N ATOM 0 H HIS A 41 14.425 -2.484 -0.625 1.00 0.00 H new ATOM 0 HA HIS A 41 12.868 -2.101 -2.841 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.715 -2.552 -0.073 1.00 0.00 H new ATOM 0 HB3 HIS A 41 11.134 -3.184 -1.601 1.00 0.00 H new ATOM 0 HD2 HIS A 41 13.019 -5.121 -2.790 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.484 -6.196 1.034 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.408 -6.884 -1.430 1.00 0.00 H new ATOM 100 N LEU A 42 11.983 0.041 -0.477 1.00 0.00 N ATOM 101 CA LEU A 42 11.306 1.311 -0.245 1.00 0.00 C ATOM 102 C LEU A 42 12.147 2.478 -0.756 1.00 0.00 C ATOM 103 O LEU A 42 11.614 3.469 -1.255 1.00 0.00 O ATOM 104 CB LEU A 42 11.014 1.491 1.246 1.00 0.00 C ATOM 105 CG LEU A 42 12.248 1.617 2.139 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.649 3.075 2.292 1.00 0.00 C ATOM 107 CD2 LEU A 42 11.985 0.987 3.499 1.00 0.00 C ATOM 0 H LEU A 42 12.391 -0.376 0.360 1.00 0.00 H new ATOM 0 HA LEU A 42 10.364 1.299 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.399 2.382 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.422 0.643 1.589 1.00 0.00 H new ATOM 0 HG LEU A 42 13.073 1.084 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.529 3.145 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.878 3.494 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.828 3.633 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.873 1.085 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.147 1.493 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.746 -0.069 3.371 1.00 0.00 H new ATOM 119 N ASP A 43 13.463 2.356 -0.625 1.00 0.00 N ATOM 120 CA ASP A 43 14.376 3.403 -1.074 1.00 0.00 C ATOM 121 C ASP A 43 14.204 3.682 -2.567 1.00 0.00 C ATOM 122 O ASP A 43 14.571 4.753 -3.050 1.00 0.00 O ATOM 123 CB ASP A 43 15.825 3.007 -0.780 1.00 0.00 C ATOM 124 CG ASP A 43 16.813 4.082 -1.190 1.00 0.00 C ATOM 125 OD1 ASP A 43 16.390 5.245 -1.358 1.00 0.00 O ATOM 126 OD2 ASP A 43 18.011 3.761 -1.341 1.00 0.00 O ATOM 0 H ASP A 43 13.922 1.544 -0.212 1.00 0.00 H new ATOM 0 HA ASP A 43 14.136 4.314 -0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.934 2.804 0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 43 16.060 2.082 -1.306 1.00 0.00 H new ATOM 131 N SER A 44 13.657 2.712 -3.295 1.00 0.00 N ATOM 132 CA SER A 44 13.452 2.860 -4.733 1.00 0.00 C ATOM 133 C SER A 44 12.144 3.585 -5.035 1.00 0.00 C ATOM 134 O SER A 44 12.094 4.458 -5.901 1.00 0.00 O ATOM 135 CB SER A 44 13.455 1.488 -5.410 1.00 0.00 C ATOM 136 OG SER A 44 13.589 1.614 -6.815 1.00 0.00 O ATOM 0 H SER A 44 13.349 1.817 -2.914 1.00 0.00 H new ATOM 0 HA SER A 44 14.272 3.460 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.274 0.886 -5.016 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.530 0.961 -5.175 1.00 0.00 H new ATOM 0 HG SER A 44 13.590 0.724 -7.225 1.00 0.00 H new ATOM 142 N VAL A 45 11.087 3.218 -4.319 1.00 0.00 N ATOM 143 CA VAL A 45 9.781 3.837 -4.518 1.00 0.00 C ATOM 144 C VAL A 45 9.734 5.233 -3.908 1.00 0.00 C ATOM 145 O VAL A 45 10.324 5.484 -2.857 1.00 0.00 O ATOM 146 CB VAL A 45 8.650 2.985 -3.910 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.566 1.634 -4.603 1.00 0.00 C ATOM 148 CG2 VAL A 45 8.850 2.812 -2.412 1.00 0.00 C ATOM 0 H VAL A 45 11.108 2.497 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 45 9.630 3.908 -5.595 1.00 0.00 H new ATOM 0 HB VAL A 45 7.707 3.508 -4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.762 1.047 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.365 1.781 -5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.511 1.104 -4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.040 2.207 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.802 2.315 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.851 3.790 -1.930 1.00 0.00 H new ATOM 158 N GLY A 46 9.028 6.140 -4.575 1.00 0.00 N ATOM 159 CA GLY A 46 8.917 7.501 -4.085 1.00 0.00 C ATOM 160 C GLY A 46 7.822 7.655 -3.047 1.00 0.00 C ATOM 161 O GLY A 46 7.761 6.894 -2.081 1.00 0.00 O ATOM 0 H GLY A 46 8.531 5.957 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.869 7.807 -3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.717 8.170 -4.922 1.00 0.00 H new ATOM 165 N GLU A 47 6.955 8.643 -3.246 1.00 0.00 N ATOM 166 CA GLU A 47 5.858 8.894 -2.319 1.00 0.00 C ATOM 167 C GLU A 47 4.581 9.257 -3.071 1.00 0.00 C ATOM 168 O GLU A 47 4.619 9.587 -4.256 1.00 0.00 O ATOM 169 CB GLU A 47 6.229 10.016 -1.347 1.00 0.00 C ATOM 170 CG GLU A 47 5.764 9.764 0.078 1.00 0.00 C ATOM 171 CD GLU A 47 5.827 11.009 0.940 1.00 0.00 C ATOM 172 OE1 GLU A 47 6.647 11.037 1.883 1.00 0.00 O ATOM 173 OE2 GLU A 47 5.058 11.956 0.674 1.00 0.00 O ATOM 0 H GLU A 47 6.991 9.282 -4.040 1.00 0.00 H new ATOM 0 HA GLU A 47 5.677 7.979 -1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.311 10.145 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.796 10.951 -1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.741 9.389 0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.381 8.985 0.525 1.00 0.00 H new ATOM 180 N ILE A 48 3.451 9.197 -2.373 1.00 0.00 N ATOM 181 CA ILE A 48 2.163 9.519 -2.974 1.00 0.00 C ATOM 182 C ILE A 48 1.666 10.883 -2.509 1.00 0.00 C ATOM 183 O ILE A 48 1.972 11.322 -1.400 1.00 0.00 O ATOM 184 CB ILE A 48 1.103 8.455 -2.631 1.00 0.00 C ATOM 185 CG1 ILE A 48 1.632 7.054 -2.947 1.00 0.00 C ATOM 186 CG2 ILE A 48 -0.185 8.725 -3.396 1.00 0.00 C ATOM 187 CD1 ILE A 48 0.637 5.953 -2.650 1.00 0.00 C ATOM 0 H ILE A 48 3.402 8.928 -1.390 1.00 0.00 H new ATOM 0 HA ILE A 48 2.313 9.538 -4.054 1.00 0.00 H new ATOM 0 HB ILE A 48 0.888 8.509 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.910 7.008 -4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.540 6.878 -2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.924 7.965 -3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.569 9.709 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.015 8.695 -4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.078 4.987 -2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.378 5.973 -1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.262 6.105 -3.247 1.00 0.00 H new ATOM 199 N THR A 49 0.894 11.545 -3.364 1.00 0.00 N ATOM 200 CA THR A 49 0.350 12.859 -3.042 1.00 0.00 C ATOM 201 C THR A 49 -0.877 12.730 -2.147 1.00 0.00 C ATOM 202 O THR A 49 -1.504 11.671 -2.084 1.00 0.00 O ATOM 203 CB THR A 49 -0.014 13.612 -4.322 1.00 0.00 C ATOM 204 OG1 THR A 49 -1.025 12.924 -5.037 1.00 0.00 O ATOM 205 CG2 THR A 49 1.159 13.805 -5.259 1.00 0.00 C ATOM 0 H THR A 49 0.631 11.193 -4.285 1.00 0.00 H new ATOM 0 HA THR A 49 1.114 13.421 -2.505 1.00 0.00 H new ATOM 0 HB THR A 49 -0.359 14.592 -3.992 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.246 13.422 -5.852 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.831 14.346 -6.146 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.938 14.376 -4.754 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.554 12.832 -5.552 1.00 0.00 H new ATOM 213 N LYS A 50 -1.218 13.814 -1.457 1.00 0.00 N ATOM 214 CA LYS A 50 -2.373 13.820 -0.567 1.00 0.00 C ATOM 215 C LYS A 50 -3.650 13.477 -1.328 1.00 0.00 C ATOM 216 O LYS A 50 -4.487 12.718 -0.844 1.00 0.00 O ATOM 217 CB LYS A 50 -2.517 15.188 0.103 1.00 0.00 C ATOM 218 CG LYS A 50 -1.486 15.446 1.190 1.00 0.00 C ATOM 219 CD LYS A 50 -1.928 14.868 2.526 1.00 0.00 C ATOM 220 CE LYS A 50 -1.187 13.581 2.852 1.00 0.00 C ATOM 221 NZ LYS A 50 -0.719 13.552 4.265 1.00 0.00 N ATOM 0 H LYS A 50 -0.711 14.698 -1.497 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.214 13.061 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.434 15.965 -0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.515 15.269 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.532 15.006 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.324 16.519 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.753 15.599 3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.001 14.675 2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.842 12.729 2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.332 13.475 2.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.219 12.658 4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.074 14.350 4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.537 13.627 4.903 1.00 0.00 H new ATOM 235 N GLU A 51 -3.791 14.045 -2.521 1.00 0.00 N ATOM 236 CA GLU A 51 -4.967 13.804 -3.349 1.00 0.00 C ATOM 237 C GLU A 51 -5.126 12.318 -3.661 1.00 0.00 C ATOM 238 O GLU A 51 -6.243 11.804 -3.720 1.00 0.00 O ATOM 239 CB GLU A 51 -4.872 14.604 -4.651 1.00 0.00 C ATOM 240 CG GLU A 51 -6.155 15.335 -5.010 1.00 0.00 C ATOM 241 CD GLU A 51 -6.049 16.086 -6.323 1.00 0.00 C ATOM 242 OE1 GLU A 51 -6.212 17.324 -6.314 1.00 0.00 O ATOM 243 OE2 GLU A 51 -5.802 15.436 -7.360 1.00 0.00 O ATOM 0 H GLU A 51 -3.105 14.676 -2.936 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.844 14.132 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.063 15.329 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.609 13.928 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.973 14.617 -5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.405 16.036 -4.214 1.00 0.00 H new ATOM 250 N ASP A 52 -4.005 11.632 -3.859 1.00 0.00 N ATOM 251 CA ASP A 52 -4.029 10.207 -4.164 1.00 0.00 C ATOM 252 C ASP A 52 -4.410 9.394 -2.931 1.00 0.00 C ATOM 253 O ASP A 52 -5.183 8.440 -3.019 1.00 0.00 O ATOM 254 CB ASP A 52 -2.667 9.754 -4.691 1.00 0.00 C ATOM 255 CG ASP A 52 -2.588 9.803 -6.204 1.00 0.00 C ATOM 256 OD1 ASP A 52 -1.733 9.095 -6.778 1.00 0.00 O ATOM 257 OD2 ASP A 52 -3.380 10.548 -6.816 1.00 0.00 O ATOM 0 H ASP A 52 -3.071 12.039 -3.814 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.781 10.037 -4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.888 10.388 -4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.469 8.737 -4.352 1.00 0.00 H new ATOM 262 N LEU A 53 -3.862 9.778 -1.781 1.00 0.00 N ATOM 263 CA LEU A 53 -4.147 9.084 -0.531 1.00 0.00 C ATOM 264 C LEU A 53 -5.570 9.369 -0.058 1.00 0.00 C ATOM 265 O LEU A 53 -6.208 8.520 0.564 1.00 0.00 O ATOM 266 CB LEU A 53 -3.142 9.493 0.549 1.00 0.00 C ATOM 267 CG LEU A 53 -1.690 9.087 0.275 1.00 0.00 C ATOM 268 CD1 LEU A 53 -0.832 9.303 1.513 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.613 7.636 -0.180 1.00 0.00 C ATOM 0 H LEU A 53 -3.219 10.565 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.055 8.013 -0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.183 10.575 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.453 9.054 1.497 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.305 9.718 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.196 9.009 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.857 10.356 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.219 8.699 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.573 7.369 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.018 6.989 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.192 7.510 -1.095 1.00 0.00 H new ATOM 281 N ILE A 54 -6.063 10.567 -0.359 1.00 0.00 N ATOM 282 CA ILE A 54 -7.412 10.957 0.036 1.00 0.00 C ATOM 283 C ILE A 54 -8.447 9.992 -0.540 1.00 0.00 C ATOM 284 O ILE A 54 -9.341 9.532 0.171 1.00 0.00 O ATOM 285 CB ILE A 54 -7.735 12.401 -0.418 1.00 0.00 C ATOM 286 CG1 ILE A 54 -6.957 13.408 0.430 1.00 0.00 C ATOM 287 CG2 ILE A 54 -9.230 12.681 -0.329 1.00 0.00 C ATOM 288 CD1 ILE A 54 -6.692 14.719 -0.277 1.00 0.00 C ATOM 0 H ILE A 54 -5.550 11.283 -0.874 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.457 10.918 1.124 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.432 12.505 -1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.513 13.605 1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.006 12.965 0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.429 13.702 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.769 11.985 -0.971 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.563 12.557 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.136 15.383 0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.109 14.534 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.640 15.185 -0.547 1.00 0.00 H new ATOM 300 N GLN A 55 -8.318 9.684 -1.826 1.00 0.00 N ATOM 301 CA GLN A 55 -9.243 8.767 -2.485 1.00 0.00 C ATOM 302 C GLN A 55 -9.141 7.377 -1.875 1.00 0.00 C ATOM 303 O GLN A 55 -10.148 6.706 -1.656 1.00 0.00 O ATOM 304 CB GLN A 55 -8.959 8.708 -3.988 1.00 0.00 C ATOM 305 CG GLN A 55 -10.216 8.646 -4.841 1.00 0.00 C ATOM 306 CD GLN A 55 -9.910 8.643 -6.326 1.00 0.00 C ATOM 307 OE1 GLN A 55 -9.940 7.597 -6.975 1.00 0.00 O ATOM 308 NE2 GLN A 55 -9.616 9.816 -6.873 1.00 0.00 N ATOM 0 H GLN A 55 -7.585 10.054 -2.431 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.257 9.138 -2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.378 9.585 -4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.343 7.834 -4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.779 7.748 -4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.853 9.499 -4.606 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.603 10.658 -6.298 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.403 9.875 -7.869 1.00 0.00 H new ATOM 317 N LYS A 56 -7.916 6.957 -1.588 1.00 0.00 N ATOM 318 CA LYS A 56 -7.681 5.654 -0.984 1.00 0.00 C ATOM 319 C LYS A 56 -8.199 5.644 0.450 1.00 0.00 C ATOM 320 O LYS A 56 -8.653 4.617 0.953 1.00 0.00 O ATOM 321 CB LYS A 56 -6.188 5.315 -1.009 1.00 0.00 C ATOM 322 CG LYS A 56 -5.545 5.498 -2.375 1.00 0.00 C ATOM 323 CD LYS A 56 -4.047 5.732 -2.261 1.00 0.00 C ATOM 324 CE LYS A 56 -3.296 5.114 -3.429 1.00 0.00 C ATOM 325 NZ LYS A 56 -2.915 6.132 -4.446 1.00 0.00 N ATOM 0 H LYS A 56 -7.071 7.500 -1.764 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.217 4.899 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.669 5.944 -0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.053 4.282 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.730 4.615 -2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.008 6.342 -2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.847 6.803 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.681 5.307 -1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.399 4.616 -3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.917 4.349 -3.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.737 5.663 -5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.688 6.819 -4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.053 6.626 -4.137 1.00 0.00 H new ATOM 339 N SER A 57 -8.123 6.803 1.097 1.00 0.00 N ATOM 340 CA SER A 57 -8.579 6.952 2.472 1.00 0.00 C ATOM 341 C SER A 57 -10.105 6.919 2.566 1.00 0.00 C ATOM 342 O SER A 57 -10.659 6.806 3.659 1.00 0.00 O ATOM 343 CB SER A 57 -8.051 8.261 3.065 1.00 0.00 C ATOM 344 OG SER A 57 -8.793 9.371 2.589 1.00 0.00 O ATOM 0 H SER A 57 -7.747 7.657 0.686 1.00 0.00 H new ATOM 0 HA SER A 57 -8.188 6.110 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.108 8.221 4.153 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.000 8.384 2.805 1.00 0.00 H new ATOM 0 HG SER A 57 -9.034 9.225 1.650 1.00 0.00 H new ATOM 350 N LEU A 58 -10.784 7.022 1.424 1.00 0.00 N ATOM 351 CA LEU A 58 -12.245 7.008 1.412 1.00 0.00 C ATOM 352 C LEU A 58 -12.784 5.683 1.949 1.00 0.00 C ATOM 353 O LEU A 58 -13.942 5.599 2.360 1.00 0.00 O ATOM 354 CB LEU A 58 -12.771 7.249 -0.004 1.00 0.00 C ATOM 355 CG LEU A 58 -12.865 8.718 -0.418 1.00 0.00 C ATOM 356 CD1 LEU A 58 -13.160 8.836 -1.905 1.00 0.00 C ATOM 357 CD2 LEU A 58 -13.933 9.433 0.397 1.00 0.00 C ATOM 0 H LEU A 58 -10.351 7.115 0.505 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.593 7.811 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.123 6.729 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.760 6.799 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.904 9.194 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.223 9.889 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.361 8.359 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.107 8.345 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.987 10.477 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.899 8.955 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.680 9.379 1.456 1.00 0.00 H new ATOM 369 N GLY A 59 -11.938 4.656 1.960 1.00 0.00 N ATOM 370 CA GLY A 59 -12.353 3.362 2.468 1.00 0.00 C ATOM 371 C GLY A 59 -12.940 2.458 1.400 1.00 0.00 C ATOM 372 O GLY A 59 -13.995 1.857 1.602 1.00 0.00 O ATOM 0 H GLY A 59 -10.975 4.698 1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.496 2.866 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.092 3.509 3.256 1.00 0.00 H new ATOM 376 N THR A 60 -12.254 2.348 0.267 1.00 0.00 N ATOM 377 CA THR A 60 -12.721 1.495 -0.821 1.00 0.00 C ATOM 378 C THR A 60 -11.545 0.834 -1.536 1.00 0.00 C ATOM 379 O THR A 60 -10.523 1.471 -1.789 1.00 0.00 O ATOM 380 CB THR A 60 -13.546 2.310 -1.819 1.00 0.00 C ATOM 381 OG1 THR A 60 -12.775 3.367 -2.362 1.00 0.00 O ATOM 382 CG2 THR A 60 -14.792 2.917 -1.210 1.00 0.00 C ATOM 0 H THR A 60 -11.378 2.835 0.078 1.00 0.00 H new ATOM 0 HA THR A 60 -13.350 0.714 -0.393 1.00 0.00 H new ATOM 0 HB THR A 60 -13.846 1.602 -2.592 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.319 3.875 -2.999 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.331 3.482 -1.971 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.433 2.123 -0.825 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.511 3.584 -0.395 1.00 0.00 H new ATOM 390 N CYS A 61 -11.701 -0.446 -1.861 1.00 0.00 N ATOM 391 CA CYS A 61 -10.654 -1.191 -2.549 1.00 0.00 C ATOM 392 C CYS A 61 -10.774 -1.030 -4.061 1.00 0.00 C ATOM 393 O CYS A 61 -11.877 -0.986 -4.605 1.00 0.00 O ATOM 394 CB CYS A 61 -10.713 -2.670 -2.169 1.00 0.00 C ATOM 395 SG CYS A 61 -9.327 -3.647 -2.797 1.00 0.00 S ATOM 0 H CYS A 61 -12.541 -0.987 -1.659 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.691 -0.786 -2.237 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.741 -2.755 -1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.644 -3.094 -2.546 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.044 -4.593 -1.951 1.00 0.00 H new ATOM 400 N GLN A 62 -9.631 -0.943 -4.735 1.00 0.00 N ATOM 401 CA GLN A 62 -9.609 -0.789 -6.185 1.00 0.00 C ATOM 402 C GLN A 62 -9.899 -2.115 -6.884 1.00 0.00 C ATOM 403 O GLN A 62 -10.633 -2.159 -7.871 1.00 0.00 O ATOM 404 CB GLN A 62 -8.253 -0.246 -6.640 1.00 0.00 C ATOM 405 CG GLN A 62 -8.347 0.740 -7.792 1.00 0.00 C ATOM 406 CD GLN A 62 -7.706 2.077 -7.471 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.544 2.141 -7.071 1.00 0.00 O ATOM 408 NE2 GLN A 62 -8.465 3.153 -7.644 1.00 0.00 N ATOM 0 H GLN A 62 -8.709 -0.977 -4.300 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.390 -0.079 -6.459 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.764 0.240 -5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.619 -1.081 -6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.865 0.312 -8.671 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.395 0.896 -8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.424 3.053 -7.978 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.089 4.080 -7.443 1.00 0.00 H new ATOM 417 N ASP A 63 -9.314 -3.191 -6.368 1.00 0.00 N ATOM 418 CA ASP A 63 -9.506 -4.518 -6.945 1.00 0.00 C ATOM 419 C ASP A 63 -10.931 -5.015 -6.718 1.00 0.00 C ATOM 420 O ASP A 63 -11.619 -5.408 -7.660 1.00 0.00 O ATOM 421 CB ASP A 63 -8.506 -5.507 -6.343 1.00 0.00 C ATOM 422 CG ASP A 63 -7.339 -5.785 -7.270 1.00 0.00 C ATOM 423 OD1 ASP A 63 -6.190 -5.829 -6.781 1.00 0.00 O ATOM 424 OD2 ASP A 63 -7.573 -5.959 -8.484 1.00 0.00 O ATOM 0 H ASP A 63 -8.703 -3.171 -5.551 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.336 -4.446 -8.019 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.131 -5.111 -5.399 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.017 -6.443 -6.115 1.00 0.00 H new ATOM 429 N CYS A 64 -11.366 -4.998 -5.463 1.00 0.00 N ATOM 430 CA CYS A 64 -12.708 -5.450 -5.112 1.00 0.00 C ATOM 431 C CYS A 64 -13.539 -4.301 -4.549 1.00 0.00 C ATOM 432 O CYS A 64 -13.023 -3.210 -4.307 1.00 0.00 O ATOM 433 CB CYS A 64 -12.637 -6.594 -4.099 1.00 0.00 C ATOM 434 SG CYS A 64 -11.812 -6.162 -2.548 1.00 0.00 S ATOM 0 H CYS A 64 -10.809 -4.676 -4.671 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.192 -5.812 -6.019 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.650 -6.931 -3.877 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.114 -7.435 -4.554 1.00 0.00 H new ATOM 0 HG CYS A 64 -10.927 -5.236 -2.770 1.00 0.00 H new ATOM 439 N LYS A 65 -14.826 -4.555 -4.345 1.00 0.00 N ATOM 440 CA LYS A 65 -15.731 -3.544 -3.812 1.00 0.00 C ATOM 441 C LYS A 65 -15.945 -3.742 -2.315 1.00 0.00 C ATOM 442 O LYS A 65 -17.008 -4.189 -1.882 1.00 0.00 O ATOM 443 CB LYS A 65 -17.073 -3.595 -4.544 1.00 0.00 C ATOM 444 CG LYS A 65 -17.906 -2.336 -4.374 1.00 0.00 C ATOM 445 CD LYS A 65 -19.393 -2.654 -4.328 1.00 0.00 C ATOM 446 CE LYS A 65 -20.203 -1.651 -5.135 1.00 0.00 C ATOM 447 NZ LYS A 65 -21.591 -1.506 -4.615 1.00 0.00 N ATOM 0 H LYS A 65 -15.267 -5.454 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.278 -2.565 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.892 -3.760 -5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.643 -4.450 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -17.613 -1.826 -3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -17.705 -1.651 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -19.564 -3.658 -4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -19.735 -2.651 -3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -19.705 -0.682 -5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -20.238 -1.968 -6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -22.108 -0.813 -5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -22.076 -2.425 -4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -21.560 -1.178 -3.628 1.00 0.00 H new ATOM 529 N LEU A 71 -7.456 0.019 5.119 1.00 0.00 N ATOM 530 CA LEU A 71 -7.118 -0.205 3.717 1.00 0.00 C ATOM 531 C LEU A 71 -5.666 0.173 3.433 1.00 0.00 C ATOM 532 O LEU A 71 -5.133 1.123 4.009 1.00 0.00 O ATOM 533 CB LEU A 71 -8.056 0.597 2.812 1.00 0.00 C ATOM 534 CG LEU A 71 -9.260 -0.181 2.281 1.00 0.00 C ATOM 535 CD1 LEU A 71 -10.167 0.727 1.466 1.00 0.00 C ATOM 536 CD2 LEU A 71 -8.801 -1.367 1.445 1.00 0.00 C ATOM 0 HA LEU A 71 -7.240 -1.267 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.417 1.464 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.484 0.975 1.965 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.828 -0.558 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.018 0.155 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.524 1.544 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.610 1.135 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.671 -1.910 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.210 -1.011 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.193 -2.031 2.059 1.00 0.00 H new ATOM 548 N TRP A 72 -5.034 -0.582 2.539 1.00 0.00 N ATOM 549 CA TRP A 72 -3.645 -0.335 2.171 1.00 0.00 C ATOM 550 C TRP A 72 -3.537 0.147 0.729 1.00 0.00 C ATOM 551 O TRP A 72 -4.326 -0.247 -0.130 1.00 0.00 O ATOM 552 CB TRP A 72 -2.812 -1.603 2.361 1.00 0.00 C ATOM 553 CG TRP A 72 -2.838 -2.130 3.764 1.00 0.00 C ATOM 554 CD1 TRP A 72 -3.942 -2.380 4.527 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.706 -2.472 4.574 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.567 -2.856 5.760 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.199 -2.922 5.812 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.324 -2.443 4.370 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.358 -3.338 6.843 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.509 -2.856 5.392 1.00 0.00 C ATOM 561 CH2 TRP A 72 -0.010 -3.299 6.614 1.00 0.00 C ATOM 0 H TRP A 72 -5.463 -1.371 2.056 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.259 0.448 2.824 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.180 -2.375 1.684 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.780 -1.396 2.078 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -4.962 -2.226 4.208 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.203 -3.118 6.514 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.086 -2.104 3.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.756 -3.678 7.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.579 -2.837 5.245 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.668 -3.617 7.392 1.00 0.00 H new ATOM 572 N ALA A 73 -2.554 1.003 0.470 1.00 0.00 N ATOM 573 CA ALA A 73 -2.340 1.539 -0.868 1.00 0.00 C ATOM 574 C ALA A 73 -0.890 1.364 -1.301 1.00 0.00 C ATOM 575 O ALA A 73 0.028 1.464 -0.487 1.00 0.00 O ATOM 576 CB ALA A 73 -2.736 3.007 -0.917 1.00 0.00 C ATOM 0 H ALA A 73 -1.893 1.340 1.170 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.969 0.982 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.571 3.395 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.790 3.108 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.131 3.571 -0.207 1.00 0.00 H new ATOM 582 N CYS A 74 -0.688 1.103 -2.589 1.00 0.00 N ATOM 583 CA CYS A 74 0.654 0.914 -3.129 1.00 0.00 C ATOM 584 C CYS A 74 1.535 2.126 -2.837 1.00 0.00 C ATOM 585 O CYS A 74 1.112 3.269 -3.014 1.00 0.00 O ATOM 586 CB CYS A 74 0.586 0.663 -4.637 1.00 0.00 C ATOM 587 SG CYS A 74 2.150 0.128 -5.366 1.00 0.00 S ATOM 0 H CYS A 74 -1.436 1.018 -3.277 1.00 0.00 H new ATOM 0 HA CYS A 74 1.097 0.045 -2.644 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.173 -0.094 -4.835 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.260 1.578 -5.133 1.00 0.00 H new ATOM 0 HG CYS A 74 2.224 -1.169 -5.331 1.00 0.00 H new ATOM 592 N LEU A 75 2.756 1.869 -2.378 1.00 0.00 N ATOM 593 CA LEU A 75 3.691 2.941 -2.049 1.00 0.00 C ATOM 594 C LEU A 75 4.459 3.420 -3.281 1.00 0.00 C ATOM 595 O LEU A 75 5.032 4.509 -3.275 1.00 0.00 O ATOM 596 CB LEU A 75 4.676 2.473 -0.978 1.00 0.00 C ATOM 597 CG LEU A 75 5.428 3.593 -0.256 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.653 4.051 0.969 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.826 3.134 0.134 1.00 0.00 C ATOM 0 H LEU A 75 3.121 0.929 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 75 3.107 3.779 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.133 1.885 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.404 1.807 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 75 5.524 4.438 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.202 4.848 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.675 4.422 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.525 3.212 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.345 3.944 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.754 2.272 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.381 2.857 -0.762 1.00 0.00 H new ATOM 611 N GLU A 76 4.474 2.605 -4.334 1.00 0.00 N ATOM 612 CA GLU A 76 5.180 2.961 -5.561 1.00 0.00 C ATOM 613 C GLU A 76 4.736 4.331 -6.070 1.00 0.00 C ATOM 614 O GLU A 76 3.544 4.593 -6.220 1.00 0.00 O ATOM 615 CB GLU A 76 4.941 1.900 -6.639 1.00 0.00 C ATOM 616 CG GLU A 76 6.201 1.506 -7.394 1.00 0.00 C ATOM 617 CD GLU A 76 6.193 1.987 -8.832 1.00 0.00 C ATOM 618 OE1 GLU A 76 5.477 2.968 -9.125 1.00 0.00 O ATOM 619 OE2 GLU A 76 6.902 1.384 -9.664 1.00 0.00 O ATOM 0 H GLU A 76 4.008 1.698 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 76 6.246 3.007 -5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.513 1.012 -6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.204 2.275 -7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.071 1.918 -6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.305 0.421 -7.378 1.00 0.00 H new ATOM 626 N ASN A 77 5.706 5.203 -6.328 1.00 0.00 N ATOM 627 CA ASN A 77 5.416 6.547 -6.814 1.00 0.00 C ATOM 628 C ASN A 77 4.736 6.504 -8.178 1.00 0.00 C ATOM 629 O ASN A 77 3.852 7.309 -8.467 1.00 0.00 O ATOM 630 CB ASN A 77 6.704 7.369 -6.900 1.00 0.00 C ATOM 631 CG ASN A 77 6.453 8.798 -7.305 1.00 0.00 C ATOM 632 OD1 ASN A 77 5.313 9.211 -7.519 1.00 0.00 O ATOM 633 ND2 ASN A 77 7.526 9.563 -7.411 1.00 0.00 N ATOM 0 H ASN A 77 6.699 5.003 -6.209 1.00 0.00 H new ATOM 0 HA ASN A 77 4.735 7.020 -6.106 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.207 7.352 -5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.380 6.905 -7.618 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.430 10.542 -7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.450 9.174 -7.223 1.00 0.00 H new ATOM 640 N ARG A 78 5.156 5.560 -9.011 1.00 0.00 N ATOM 641 CA ARG A 78 4.589 5.413 -10.347 1.00 0.00 C ATOM 642 C ARG A 78 3.261 4.661 -10.303 1.00 0.00 C ATOM 643 O ARG A 78 2.441 4.780 -11.213 1.00 0.00 O ATOM 644 CB ARG A 78 5.572 4.681 -11.263 1.00 0.00 C ATOM 645 CG ARG A 78 5.576 5.202 -12.691 1.00 0.00 C ATOM 646 CD ARG A 78 6.028 4.135 -13.675 1.00 0.00 C ATOM 647 NE ARG A 78 7.359 4.413 -14.212 1.00 0.00 N ATOM 648 CZ ARG A 78 8.023 3.582 -15.011 1.00 0.00 C ATOM 649 NH1 ARG A 78 7.487 2.421 -15.368 1.00 0.00 N ATOM 650 NH2 ARG A 78 9.229 3.912 -15.455 1.00 0.00 N ATOM 0 H ARG A 78 5.887 4.885 -8.786 1.00 0.00 H new ATOM 0 HA ARG A 78 4.404 6.411 -10.744 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.577 4.771 -10.850 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.325 3.619 -11.273 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.575 5.543 -12.957 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.237 6.066 -12.762 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.033 3.164 -13.180 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.312 4.071 -14.495 1.00 0.00 H new ATOM 0 HE ARG A 78 7.804 5.295 -13.959 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.561 2.161 -15.029 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.002 1.789 -15.981 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.646 4.802 -15.184 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.739 3.275 -16.068 1.00 0.00 H new ATOM 664 N CYS A 79 3.055 3.885 -9.242 1.00 0.00 N ATOM 665 CA CYS A 79 1.826 3.115 -9.089 1.00 0.00 C ATOM 666 C CYS A 79 0.862 3.806 -8.129 1.00 0.00 C ATOM 667 O CYS A 79 1.281 4.470 -7.181 1.00 0.00 O ATOM 668 CB CYS A 79 2.143 1.707 -8.585 1.00 0.00 C ATOM 669 SG CYS A 79 0.966 0.444 -9.123 1.00 0.00 S ATOM 0 H CYS A 79 3.722 3.774 -8.478 1.00 0.00 H new ATOM 0 HA CYS A 79 1.347 3.047 -10.066 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.140 1.427 -8.926 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.171 1.721 -7.495 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.195 0.992 -9.330 1.00 0.00 H new ATOM 674 N SER A 80 -0.432 3.640 -8.380 1.00 0.00 N ATOM 675 CA SER A 80 -1.459 4.241 -7.538 1.00 0.00 C ATOM 676 C SER A 80 -2.675 3.325 -7.446 1.00 0.00 C ATOM 677 O SER A 80 -3.766 3.671 -7.901 1.00 0.00 O ATOM 678 CB SER A 80 -1.871 5.606 -8.094 1.00 0.00 C ATOM 679 OG SER A 80 -2.186 6.510 -7.048 1.00 0.00 O ATOM 0 H SER A 80 -0.795 3.093 -9.161 1.00 0.00 H new ATOM 0 HA SER A 80 -1.048 4.378 -6.538 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.062 6.014 -8.700 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.734 5.489 -8.750 1.00 0.00 H new ATOM 0 HG SER A 80 -1.864 7.406 -7.282 1.00 0.00 H new ATOM 685 N TYR A 81 -2.476 2.149 -6.859 1.00 0.00 N ATOM 686 CA TYR A 81 -3.549 1.176 -6.713 1.00 0.00 C ATOM 687 C TYR A 81 -3.962 1.020 -5.253 1.00 0.00 C ATOM 688 O TYR A 81 -3.141 1.159 -4.346 1.00 0.00 O ATOM 689 CB TYR A 81 -3.110 -0.177 -7.275 1.00 0.00 C ATOM 690 CG TYR A 81 -3.114 -0.236 -8.786 1.00 0.00 C ATOM 691 CD1 TYR A 81 -2.379 0.674 -9.536 1.00 0.00 C ATOM 692 CD2 TYR A 81 -3.852 -1.198 -9.461 1.00 0.00 C ATOM 693 CE1 TYR A 81 -2.379 0.624 -10.917 1.00 0.00 C ATOM 694 CE2 TYR A 81 -3.857 -1.256 -10.841 1.00 0.00 C ATOM 695 CZ TYR A 81 -3.119 -0.342 -11.565 1.00 0.00 C ATOM 696 OH TYR A 81 -3.123 -0.394 -12.939 1.00 0.00 O ATOM 0 H TYR A 81 -1.580 1.848 -6.477 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.410 1.540 -7.273 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.107 -0.403 -6.914 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.770 -0.953 -6.888 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.799 1.432 -9.032 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.432 -1.914 -8.898 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.802 1.338 -11.486 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.435 -2.013 -11.351 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.693 -1.133 -13.237 1.00 0.00 H new ATOM 706 N VAL A 82 -5.240 0.724 -5.036 1.00 0.00 N ATOM 707 CA VAL A 82 -5.767 0.540 -3.690 1.00 0.00 C ATOM 708 C VAL A 82 -6.092 -0.926 -3.431 1.00 0.00 C ATOM 709 O VAL A 82 -6.773 -1.569 -4.231 1.00 0.00 O ATOM 710 CB VAL A 82 -7.038 1.382 -3.455 1.00 0.00 C ATOM 711 CG1 VAL A 82 -7.329 1.507 -1.968 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.901 2.756 -4.096 1.00 0.00 C ATOM 0 H VAL A 82 -5.930 0.606 -5.778 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.992 0.873 -3.000 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.878 0.872 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.229 2.104 -1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.479 0.515 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.488 1.992 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.809 3.333 -3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.049 3.277 -3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.748 2.643 -5.169 1.00 0.00 H new ATOM 722 N GLY A 83 -5.601 -1.453 -2.315 1.00 0.00 N ATOM 723 CA GLY A 83 -5.852 -2.843 -1.983 1.00 0.00 C ATOM 724 C GLY A 83 -6.082 -3.060 -0.501 1.00 0.00 C ATOM 725 O GLY A 83 -5.718 -2.221 0.322 1.00 0.00 O ATOM 0 H GLY A 83 -5.035 -0.944 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.724 -3.192 -2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.005 -3.448 -2.307 1.00 0.00 H new ATOM 729 N CYS A 84 -6.682 -4.196 -0.161 1.00 0.00 N ATOM 730 CA CYS A 84 -6.956 -4.528 1.232 1.00 0.00 C ATOM 731 C CYS A 84 -5.959 -5.564 1.745 1.00 0.00 C ATOM 732 O CYS A 84 -5.551 -6.464 1.010 1.00 0.00 O ATOM 733 CB CYS A 84 -8.387 -5.049 1.392 1.00 0.00 C ATOM 734 SG CYS A 84 -8.888 -6.257 0.142 1.00 0.00 S ATOM 0 H CYS A 84 -6.988 -4.902 -0.831 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.849 -3.619 1.824 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.487 -5.502 2.378 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -9.074 -4.204 1.358 1.00 0.00 H new ATOM 0 HG CYS A 84 -10.111 -6.634 0.369 1.00 0.00 H new ATOM 739 N GLY A 85 -5.563 -5.419 3.006 1.00 0.00 N ATOM 740 CA GLY A 85 -4.608 -6.340 3.597 1.00 0.00 C ATOM 741 C GLY A 85 -5.185 -7.723 3.826 1.00 0.00 C ATOM 742 O GLY A 85 -6.280 -8.035 3.358 1.00 0.00 O ATOM 0 H GLY A 85 -5.887 -4.680 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.737 -6.419 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.261 -5.935 4.548 1.00 0.00 H new ATOM 746 N GLU A 86 -4.440 -8.554 4.549 1.00 0.00 N ATOM 747 CA GLU A 86 -4.871 -9.916 4.844 1.00 0.00 C ATOM 748 C GLU A 86 -6.192 -9.928 5.609 1.00 0.00 C ATOM 749 O GLU A 86 -6.892 -10.941 5.637 1.00 0.00 O ATOM 750 CB GLU A 86 -3.794 -10.645 5.651 1.00 0.00 C ATOM 751 CG GLU A 86 -3.388 -11.982 5.053 1.00 0.00 C ATOM 752 CD GLU A 86 -2.884 -12.959 6.097 1.00 0.00 C ATOM 753 OE1 GLU A 86 -3.140 -14.172 5.946 1.00 0.00 O ATOM 754 OE2 GLU A 86 -2.236 -12.510 7.066 1.00 0.00 O ATOM 0 H GLU A 86 -3.532 -8.307 4.942 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.025 -10.432 3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.913 -10.007 5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.158 -10.806 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.242 -12.418 4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.610 -11.821 4.306 1.00 0.00 H new ATOM 761 N SER A 87 -6.530 -8.803 6.232 1.00 0.00 N ATOM 762 CA SER A 87 -7.768 -8.699 6.996 1.00 0.00 C ATOM 763 C SER A 87 -8.987 -8.899 6.098 1.00 0.00 C ATOM 764 O SER A 87 -10.083 -9.185 6.582 1.00 0.00 O ATOM 765 CB SER A 87 -7.850 -7.339 7.689 1.00 0.00 C ATOM 766 OG SER A 87 -9.123 -7.144 8.282 1.00 0.00 O ATOM 0 H SER A 87 -5.966 -7.953 6.223 1.00 0.00 H new ATOM 0 HA SER A 87 -7.765 -9.486 7.750 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.075 -7.269 8.453 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.657 -6.547 6.966 1.00 0.00 H new ATOM 0 HG SER A 87 -9.149 -6.268 8.720 1.00 0.00 H new ATOM 772 N GLN A 88 -8.793 -8.750 4.791 1.00 0.00 N ATOM 773 CA GLN A 88 -9.881 -8.918 3.835 1.00 0.00 C ATOM 774 C GLN A 88 -9.553 -10.009 2.820 1.00 0.00 C ATOM 775 O GLN A 88 -10.152 -11.084 2.838 1.00 0.00 O ATOM 776 CB GLN A 88 -10.161 -7.599 3.113 1.00 0.00 C ATOM 777 CG GLN A 88 -10.504 -6.453 4.051 1.00 0.00 C ATOM 778 CD GLN A 88 -11.993 -6.166 4.101 1.00 0.00 C ATOM 779 OE1 GLN A 88 -12.411 -5.008 4.128 1.00 0.00 O ATOM 780 NE2 GLN A 88 -12.800 -7.219 4.115 1.00 0.00 N ATOM 0 H GLN A 88 -7.894 -8.514 4.371 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.772 -9.219 4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.287 -7.325 2.522 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.985 -7.745 2.414 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.150 -6.691 5.054 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.975 -5.555 3.731 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.410 -8.161 4.091 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.811 -7.086 4.149 1.00 0.00 H new ATOM 789 N VAL A 89 -8.601 -9.727 1.936 1.00 0.00 N ATOM 790 CA VAL A 89 -8.200 -10.690 0.916 1.00 0.00 C ATOM 791 C VAL A 89 -6.719 -10.557 0.566 1.00 0.00 C ATOM 792 O VAL A 89 -6.278 -11.025 -0.484 1.00 0.00 O ATOM 793 CB VAL A 89 -9.032 -10.524 -0.372 1.00 0.00 C ATOM 794 CG1 VAL A 89 -8.825 -11.712 -1.303 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.505 -10.348 -0.039 1.00 0.00 C ATOM 0 H VAL A 89 -8.094 -8.842 1.905 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.380 -11.679 1.338 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.691 -9.626 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.421 -11.575 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.771 -11.785 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.135 -12.627 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.075 -10.232 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.863 -11.224 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.634 -9.461 0.581 1.00 0.00 H new ATOM 805 N ASP A 90 -5.951 -9.919 1.449 1.00 0.00 N ATOM 806 CA ASP A 90 -4.519 -9.731 1.226 1.00 0.00 C ATOM 807 C ASP A 90 -4.242 -9.215 -0.184 1.00 0.00 C ATOM 808 O ASP A 90 -3.203 -9.515 -0.776 1.00 0.00 O ATOM 809 CB ASP A 90 -3.771 -11.046 1.455 1.00 0.00 C ATOM 810 CG ASP A 90 -2.390 -10.831 2.043 1.00 0.00 C ATOM 811 OD1 ASP A 90 -2.187 -9.801 2.720 1.00 0.00 O ATOM 812 OD2 ASP A 90 -1.512 -11.692 1.826 1.00 0.00 O ATOM 0 H ASP A 90 -6.296 -9.524 2.324 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.164 -8.986 1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.353 -11.680 2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.681 -11.579 0.509 1.00 0.00 H new ATOM 817 N HIS A 91 -5.175 -8.428 -0.713 1.00 0.00 N ATOM 818 CA HIS A 91 -5.034 -7.864 -2.051 1.00 0.00 C ATOM 819 C HIS A 91 -3.717 -7.109 -2.177 1.00 0.00 C ATOM 820 O HIS A 91 -3.082 -7.118 -3.232 1.00 0.00 O ATOM 821 CB HIS A 91 -6.207 -6.933 -2.361 1.00 0.00 C ATOM 822 CG HIS A 91 -7.247 -7.555 -3.243 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.573 -7.217 -3.132 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.106 -8.482 -4.222 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.208 -7.939 -4.037 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.359 -8.721 -4.723 1.00 0.00 N ATOM 0 H HIS A 91 -6.037 -8.167 -0.235 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.035 -8.682 -2.771 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.673 -6.625 -1.425 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.828 -6.031 -2.841 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -8.984 -6.546 -2.483 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.184 -8.943 -4.545 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.274 -7.905 -4.204 1.00 0.00 H new ATOM 834 N SER A 92 -3.306 -6.464 -1.090 1.00 0.00 N ATOM 835 CA SER A 92 -2.056 -5.714 -1.080 1.00 0.00 C ATOM 836 C SER A 92 -0.885 -6.630 -1.418 1.00 0.00 C ATOM 837 O SER A 92 0.030 -6.245 -2.148 1.00 0.00 O ATOM 838 CB SER A 92 -1.836 -5.064 0.288 1.00 0.00 C ATOM 839 OG SER A 92 -0.649 -4.291 0.300 1.00 0.00 O ATOM 0 H SER A 92 -3.818 -6.446 -0.208 1.00 0.00 H new ATOM 0 HA SER A 92 -2.118 -4.930 -1.835 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.688 -4.431 0.535 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.779 -5.836 1.056 1.00 0.00 H new ATOM 0 HG SER A 92 0.124 -4.881 0.422 1.00 0.00 H new ATOM 845 N THR A 93 -0.925 -7.849 -0.889 1.00 0.00 N ATOM 846 CA THR A 93 0.127 -8.825 -1.142 1.00 0.00 C ATOM 847 C THR A 93 0.071 -9.308 -2.586 1.00 0.00 C ATOM 848 O THR A 93 1.094 -9.384 -3.268 1.00 0.00 O ATOM 849 CB THR A 93 -0.003 -10.010 -0.183 1.00 0.00 C ATOM 850 OG1 THR A 93 0.084 -9.576 1.163 1.00 0.00 O ATOM 851 CG2 THR A 93 1.056 -11.070 -0.393 1.00 0.00 C ATOM 0 H THR A 93 -1.674 -8.183 -0.283 1.00 0.00 H new ATOM 0 HA THR A 93 1.090 -8.343 -0.974 1.00 0.00 H new ATOM 0 HB THR A 93 -0.978 -10.448 -0.395 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.499 -8.689 1.194 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.905 -11.881 0.319 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.984 -11.461 -1.408 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.043 -10.633 -0.242 1.00 0.00 H new ATOM 859 N ILE A 94 -1.134 -9.622 -3.055 1.00 0.00 N ATOM 860 CA ILE A 94 -1.311 -10.085 -4.426 1.00 0.00 C ATOM 861 C ILE A 94 -0.784 -9.046 -5.405 1.00 0.00 C ATOM 862 O ILE A 94 0.016 -9.354 -6.287 1.00 0.00 O ATOM 863 CB ILE A 94 -2.790 -10.378 -4.762 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.487 -11.066 -3.583 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.885 -11.232 -6.021 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.877 -11.573 -3.907 1.00 0.00 C ATOM 0 H ILE A 94 -1.995 -9.565 -2.510 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.749 -11.015 -4.517 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.298 -9.432 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.874 -11.903 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.551 -10.365 -2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.932 -11.432 -6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.428 -10.701 -6.856 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.362 -12.175 -5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.306 -12.047 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.507 -10.738 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.820 -12.299 -4.718 1.00 0.00 H new ATOM 878 N HIS A 95 -1.229 -7.805 -5.229 1.00 0.00 N ATOM 879 CA HIS A 95 -0.790 -6.712 -6.086 1.00 0.00 C ATOM 880 C HIS A 95 0.724 -6.555 -5.996 1.00 0.00 C ATOM 881 O HIS A 95 1.390 -6.275 -6.993 1.00 0.00 O ATOM 882 CB HIS A 95 -1.481 -5.404 -5.685 1.00 0.00 C ATOM 883 CG HIS A 95 -0.932 -4.195 -6.382 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.636 -3.451 -7.302 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.286 -3.604 -6.276 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.843 -2.456 -7.720 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.335 -2.504 -7.127 1.00 0.00 N ATOM 0 H HIS A 95 -1.891 -7.533 -4.502 1.00 0.00 H new ATOM 0 HA HIS A 95 -1.063 -6.945 -7.115 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.546 -5.485 -5.901 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.384 -5.267 -4.608 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.592 -3.627 -7.611 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.089 -3.935 -5.634 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.130 -1.711 -8.448 1.00 0.00 H new ATOM 895 N SER A 96 1.260 -6.746 -4.794 1.00 0.00 N ATOM 896 CA SER A 96 2.696 -6.633 -4.573 1.00 0.00 C ATOM 897 C SER A 96 3.456 -7.606 -5.469 1.00 0.00 C ATOM 898 O SER A 96 4.479 -7.257 -6.053 1.00 0.00 O ATOM 899 CB SER A 96 3.031 -6.900 -3.104 1.00 0.00 C ATOM 900 OG SER A 96 4.428 -7.048 -2.915 1.00 0.00 O ATOM 0 H SER A 96 0.721 -6.979 -3.960 1.00 0.00 H new ATOM 0 HA SER A 96 3.002 -5.618 -4.825 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.663 -6.078 -2.489 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.519 -7.802 -2.770 1.00 0.00 H new ATOM 0 HG SER A 96 4.907 -6.497 -3.569 1.00 0.00 H new ATOM 906 N GLN A 97 2.953 -8.829 -5.580 1.00 0.00 N ATOM 907 CA GLN A 97 3.600 -9.834 -6.414 1.00 0.00 C ATOM 908 C GLN A 97 3.441 -9.499 -7.896 1.00 0.00 C ATOM 909 O GLN A 97 4.411 -9.519 -8.656 1.00 0.00 O ATOM 910 CB GLN A 97 3.014 -11.219 -6.130 1.00 0.00 C ATOM 911 CG GLN A 97 3.576 -11.873 -4.878 1.00 0.00 C ATOM 912 CD GLN A 97 3.079 -11.217 -3.605 1.00 0.00 C ATOM 913 OE1 GLN A 97 2.209 -11.750 -2.917 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.631 -10.052 -3.288 1.00 0.00 N ATOM 0 H GLN A 97 2.107 -9.147 -5.108 1.00 0.00 H new ATOM 0 HA GLN A 97 4.663 -9.838 -6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.932 -11.133 -6.030 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.205 -11.867 -6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.302 -12.928 -4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.665 -11.826 -4.905 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.349 -9.648 -3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.337 -9.561 -2.444 1.00 0.00 H new ATOM 923 N GLU A 98 2.211 -9.196 -8.298 1.00 0.00 N ATOM 924 CA GLU A 98 1.908 -8.864 -9.689 1.00 0.00 C ATOM 925 C GLU A 98 2.868 -7.817 -10.253 1.00 0.00 C ATOM 926 O GLU A 98 3.405 -7.985 -11.348 1.00 0.00 O ATOM 927 CB GLU A 98 0.469 -8.362 -9.808 1.00 0.00 C ATOM 928 CG GLU A 98 -0.574 -9.413 -9.469 1.00 0.00 C ATOM 929 CD GLU A 98 -1.981 -8.850 -9.429 1.00 0.00 C ATOM 930 OE1 GLU A 98 -2.359 -8.273 -8.388 1.00 0.00 O ATOM 931 OE2 GLU A 98 -2.704 -8.983 -10.439 1.00 0.00 O ATOM 0 H GLU A 98 1.402 -9.173 -7.677 1.00 0.00 H new ATOM 0 HA GLU A 98 2.031 -9.775 -10.274 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.337 -7.505 -9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.299 -8.009 -10.825 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.529 -10.215 -10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.337 -9.856 -8.502 1.00 0.00 H new ATOM 938 N THR A 99 3.072 -6.733 -9.512 1.00 0.00 N ATOM 939 CA THR A 99 3.957 -5.662 -9.959 1.00 0.00 C ATOM 940 C THR A 99 5.274 -5.653 -9.185 1.00 0.00 C ATOM 941 O THR A 99 6.044 -4.698 -9.276 1.00 0.00 O ATOM 942 CB THR A 99 3.264 -4.307 -9.809 1.00 0.00 C ATOM 943 OG1 THR A 99 2.826 -4.116 -8.475 1.00 0.00 O ATOM 944 CG2 THR A 99 2.063 -4.145 -10.715 1.00 0.00 C ATOM 0 H THR A 99 2.639 -6.572 -8.603 1.00 0.00 H new ATOM 0 HA THR A 99 4.185 -5.844 -11.009 1.00 0.00 H new ATOM 0 HB THR A 99 4.012 -3.566 -10.090 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.723 -3.158 -8.299 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.619 -3.162 -10.558 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.376 -4.240 -11.755 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.328 -4.916 -10.486 1.00 0.00 H new ATOM 952 N LYS A 100 5.532 -6.712 -8.427 1.00 0.00 N ATOM 953 CA LYS A 100 6.761 -6.803 -7.647 1.00 0.00 C ATOM 954 C LYS A 100 6.894 -5.624 -6.681 1.00 0.00 C ATOM 955 O LYS A 100 7.994 -5.305 -6.229 1.00 0.00 O ATOM 956 CB LYS A 100 7.976 -6.853 -8.576 1.00 0.00 C ATOM 957 CG LYS A 100 8.096 -8.156 -9.351 1.00 0.00 C ATOM 958 CD LYS A 100 9.396 -8.878 -9.034 1.00 0.00 C ATOM 959 CE LYS A 100 9.926 -9.628 -10.245 1.00 0.00 C ATOM 960 NZ LYS A 100 11.413 -9.716 -10.237 1.00 0.00 N ATOM 0 H LYS A 100 4.911 -7.516 -8.336 1.00 0.00 H new ATOM 0 HA LYS A 100 6.717 -7.721 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.918 -6.024 -9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.881 -6.706 -7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.252 -8.802 -9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.045 -7.950 -10.420 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.141 -8.157 -8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.234 -9.577 -8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.503 -10.632 -10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.597 -9.127 -11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.735 -10.235 -11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.818 -8.758 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.727 -10.217 -9.381 1.00 0.00 H new ATOM 974 N HIS A 101 5.768 -4.994 -6.352 1.00 0.00 N ATOM 975 CA HIS A 101 5.764 -3.870 -5.425 1.00 0.00 C ATOM 976 C HIS A 101 5.655 -4.381 -3.992 1.00 0.00 C ATOM 977 O HIS A 101 4.560 -4.669 -3.509 1.00 0.00 O ATOM 978 CB HIS A 101 4.598 -2.925 -5.732 1.00 0.00 C ATOM 979 CG HIS A 101 4.642 -2.343 -7.111 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.558 -1.692 -7.650 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.652 -2.340 -8.013 1.00 0.00 C ATOM 982 CE1 HIS A 101 3.929 -1.309 -8.858 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.192 -1.680 -9.123 1.00 0.00 N ATOM 0 H HIS A 101 4.848 -5.245 -6.715 1.00 0.00 H new ATOM 0 HA HIS A 101 6.697 -3.319 -5.541 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.660 -3.466 -5.605 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.598 -2.113 -5.004 1.00 0.00 H new ATOM 0 HD1 HIS A 101 2.652 -1.537 -7.207 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.632 -2.774 -7.883 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.297 -0.766 -9.545 1.00 0.00 H new ATOM 991 N TYR A 102 6.796 -4.509 -3.324 1.00 0.00 N ATOM 992 CA TYR A 102 6.829 -5.007 -1.952 1.00 0.00 C ATOM 993 C TYR A 102 6.663 -3.885 -0.930 1.00 0.00 C ATOM 994 O TYR A 102 7.066 -4.029 0.224 1.00 0.00 O ATOM 995 CB TYR A 102 8.145 -5.739 -1.691 1.00 0.00 C ATOM 996 CG TYR A 102 8.503 -6.749 -2.755 1.00 0.00 C ATOM 997 CD1 TYR A 102 9.633 -6.582 -3.546 1.00 0.00 C ATOM 998 CD2 TYR A 102 7.713 -7.870 -2.968 1.00 0.00 C ATOM 999 CE1 TYR A 102 9.964 -7.505 -4.520 1.00 0.00 C ATOM 1000 CE2 TYR A 102 8.036 -8.798 -3.938 1.00 0.00 C ATOM 1001 CZ TYR A 102 9.163 -8.611 -4.712 1.00 0.00 C ATOM 1002 OH TYR A 102 9.489 -9.532 -5.680 1.00 0.00 O ATOM 0 H TYR A 102 7.711 -4.275 -3.709 1.00 0.00 H new ATOM 0 HA TYR A 102 5.990 -5.693 -1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.948 -5.006 -1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 102 8.083 -6.246 -0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 102 10.263 -5.717 -3.397 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.830 -8.019 -2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.845 -7.361 -5.127 1.00 0.00 H new ATOM 0 HE2 TYR A 102 7.410 -9.665 -4.090 1.00 0.00 H new ATOM 0 HH TYR A 102 8.823 -10.251 -5.685 1.00 0.00 H new ATOM 1012 N LEU A 103 6.069 -2.773 -1.347 1.00 0.00 N ATOM 1013 CA LEU A 103 5.862 -1.647 -0.446 1.00 0.00 C ATOM 1014 C LEU A 103 4.394 -1.248 -0.393 1.00 0.00 C ATOM 1015 O LEU A 103 3.812 -0.839 -1.399 1.00 0.00 O ATOM 1016 CB LEU A 103 6.709 -0.451 -0.875 1.00 0.00 C ATOM 1017 CG LEU A 103 8.180 -0.522 -0.469 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.318 -0.441 1.043 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.817 -1.800 -0.997 1.00 0.00 C ATOM 0 H LEU A 103 5.725 -2.628 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 103 6.171 -1.961 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.651 -0.354 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.274 0.454 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 103 8.702 0.328 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.372 -0.493 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.898 0.500 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.783 -1.272 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.865 -1.834 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.294 -2.664 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.749 -1.818 -2.085 1.00 0.00 H new ATOM 1031 N THR A 104 3.801 -1.366 0.789 1.00 0.00 N ATOM 1032 CA THR A 104 2.399 -1.015 0.977 1.00 0.00 C ATOM 1033 C THR A 104 2.211 -0.195 2.249 1.00 0.00 C ATOM 1034 O THR A 104 2.741 -0.538 3.305 1.00 0.00 O ATOM 1035 CB THR A 104 1.539 -2.279 1.031 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.175 -1.949 1.216 1.00 0.00 O ATOM 1037 CG2 THR A 104 1.937 -3.231 2.138 1.00 0.00 C ATOM 0 H THR A 104 4.269 -1.702 1.631 1.00 0.00 H new ATOM 0 HA THR A 104 2.082 -0.408 0.129 1.00 0.00 H new ATOM 0 HB THR A 104 1.699 -2.777 0.075 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.384 -2.573 0.708 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.286 -4.105 2.118 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.971 -3.545 1.994 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.841 -2.730 3.101 1.00 0.00 H new ATOM 1045 N VAL A 105 1.457 0.894 2.140 1.00 0.00 N ATOM 1046 CA VAL A 105 1.206 1.764 3.283 1.00 0.00 C ATOM 1047 C VAL A 105 -0.284 1.865 3.587 1.00 0.00 C ATOM 1048 O VAL A 105 -1.072 2.308 2.752 1.00 0.00 O ATOM 1049 CB VAL A 105 1.769 3.180 3.044 1.00 0.00 C ATOM 1050 CG1 VAL A 105 1.085 3.839 1.853 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.621 4.035 4.296 1.00 0.00 C ATOM 0 H VAL A 105 1.010 1.195 1.274 1.00 0.00 H new ATOM 0 HA VAL A 105 1.715 1.316 4.137 1.00 0.00 H new ATOM 0 HB VAL A 105 2.831 3.092 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.498 4.837 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.253 3.238 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.014 3.914 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.024 5.030 4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.566 4.115 4.560 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.167 3.573 5.119 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.662 1.458 4.795 1.00 0.00 N ATOM 1062 CA ASN A 106 -2.056 1.510 5.217 1.00 0.00 C ATOM 1063 C ASN A 106 -2.466 2.944 5.527 1.00 0.00 C ATOM 1064 O ASN A 106 -1.872 3.597 6.383 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.285 0.621 6.442 1.00 0.00 C ATOM 1066 CG ASN A 106 -1.203 0.785 7.492 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -1.226 1.728 8.282 1.00 0.00 O ATOM 1068 ND2 ASN A 106 -0.246 -0.135 7.501 1.00 0.00 N ATOM 0 H ASN A 106 -0.022 1.089 5.498 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.672 1.138 4.399 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.253 0.859 6.883 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.326 -0.422 6.127 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.511 -0.077 8.182 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.268 -0.900 6.827 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.480 3.431 4.822 1.00 0.00 N ATOM 1076 CA LEU A 107 -3.965 4.793 5.021 1.00 0.00 C ATOM 1077 C LEU A 107 -4.718 4.932 6.344 1.00 0.00 C ATOM 1078 O LEU A 107 -4.991 6.044 6.797 1.00 0.00 O ATOM 1079 CB LEU A 107 -4.871 5.206 3.860 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.406 4.737 2.477 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.472 3.877 1.814 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -4.058 5.928 1.596 1.00 0.00 C ATOM 0 H LEU A 107 -3.983 2.904 4.108 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.098 5.452 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.872 4.814 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.951 6.293 3.850 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.509 4.131 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.122 3.555 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.671 3.003 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.388 4.457 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.730 5.574 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.937 6.561 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.257 6.503 2.061 1.00 0.00 H new ATOM 1094 N THR A 108 -5.060 3.800 6.953 1.00 0.00 N ATOM 1095 CA THR A 108 -5.792 3.802 8.215 1.00 0.00 C ATOM 1096 C THR A 108 -4.858 4.010 9.407 1.00 0.00 C ATOM 1097 O THR A 108 -5.248 4.600 10.414 1.00 0.00 O ATOM 1098 CB THR A 108 -6.568 2.493 8.372 1.00 0.00 C ATOM 1099 OG1 THR A 108 -6.159 1.547 7.399 1.00 0.00 O ATOM 1100 CG2 THR A 108 -8.064 2.671 8.236 1.00 0.00 C ATOM 0 H THR A 108 -4.842 2.871 6.593 1.00 0.00 H new ATOM 0 HA THR A 108 -6.493 4.637 8.195 1.00 0.00 H new ATOM 0 HB THR A 108 -6.347 2.142 9.380 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.916 1.328 6.817 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.558 1.707 8.357 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.420 3.360 9.002 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.294 3.075 7.250 1.00 0.00 H new ATOM 1108 N THR A 109 -3.626 3.520 9.292 1.00 0.00 N ATOM 1109 CA THR A 109 -2.649 3.656 10.370 1.00 0.00 C ATOM 1110 C THR A 109 -1.478 4.551 9.957 1.00 0.00 C ATOM 1111 O THR A 109 -0.649 4.921 10.789 1.00 0.00 O ATOM 1112 CB THR A 109 -2.129 2.280 10.795 1.00 0.00 C ATOM 1113 OG1 THR A 109 -2.887 1.246 10.191 1.00 0.00 O ATOM 1114 CG2 THR A 109 -2.171 2.062 12.293 1.00 0.00 C ATOM 0 H THR A 109 -3.281 3.028 8.468 1.00 0.00 H new ATOM 0 HA THR A 109 -3.153 4.127 11.214 1.00 0.00 H new ATOM 0 HB THR A 109 -1.090 2.251 10.466 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.760 1.272 9.220 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.789 1.068 12.527 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.555 2.813 12.787 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.199 2.148 12.644 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.416 4.896 8.674 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.349 5.747 8.155 1.00 0.00 C ATOM 1124 C LEU A 110 1.015 5.079 8.311 1.00 0.00 C ATOM 1125 O LEU A 110 2.031 5.756 8.476 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.354 7.102 8.867 1.00 0.00 C ATOM 1127 CG LEU A 110 -1.409 8.091 8.369 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -1.272 9.425 9.085 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -1.294 8.277 6.863 1.00 0.00 C ATOM 0 H LEU A 110 -2.094 4.598 7.973 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.533 5.903 7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.509 6.935 9.933 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.630 7.557 8.756 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.395 7.684 8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.031 10.115 8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.404 9.278 10.157 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.282 9.840 8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.052 8.984 6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.304 8.662 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.444 7.319 6.366 1.00 0.00 H new ATOM 1141 N ARG A 111 1.033 3.751 8.253 1.00 0.00 N ATOM 1142 CA ARG A 111 2.276 2.996 8.383 1.00 0.00 C ATOM 1143 C ARG A 111 2.612 2.275 7.080 1.00 0.00 C ATOM 1144 O ARG A 111 1.723 1.950 6.293 1.00 0.00 O ATOM 1145 CB ARG A 111 2.172 1.982 9.527 1.00 0.00 C ATOM 1146 CG ARG A 111 1.491 2.531 10.770 1.00 0.00 C ATOM 1147 CD ARG A 111 2.444 3.372 11.604 1.00 0.00 C ATOM 1148 NE ARG A 111 2.008 3.475 12.995 1.00 0.00 N ATOM 1149 CZ ARG A 111 2.500 4.358 13.862 1.00 0.00 C ATOM 1150 NH1 ARG A 111 3.442 5.214 13.487 1.00 0.00 N ATOM 1151 NH2 ARG A 111 2.046 4.383 15.108 1.00 0.00 N ATOM 0 H ARG A 111 0.202 3.175 8.117 1.00 0.00 H new ATOM 0 HA ARG A 111 3.076 3.702 8.607 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.621 1.109 9.178 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.173 1.643 9.792 1.00 0.00 H new ATOM 0 HG2 ARG A 111 0.632 3.135 10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.111 1.706 11.372 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.441 2.933 11.568 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.519 4.370 11.173 1.00 0.00 H new ATOM 0 HE ARG A 111 1.285 2.833 13.321 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.794 5.198 12.530 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.814 5.888 14.156 1.00 0.00 H new ATOM 0 HH21 ARG A 111 1.322 3.727 15.400 1.00 0.00 H new ATOM 0 HH22 ARG A 111 2.421 5.058 15.774 1.00 0.00 H new ATOM 1165 N VAL A 112 3.899 2.026 6.860 1.00 0.00 N ATOM 1166 CA VAL A 112 4.351 1.342 5.652 1.00 0.00 C ATOM 1167 C VAL A 112 4.893 -0.045 5.979 1.00 0.00 C ATOM 1168 O VAL A 112 5.418 -0.276 7.069 1.00 0.00 O ATOM 1169 CB VAL A 112 5.442 2.149 4.922 1.00 0.00 C ATOM 1170 CG1 VAL A 112 5.754 1.522 3.571 1.00 0.00 C ATOM 1171 CG2 VAL A 112 5.017 3.600 4.759 1.00 0.00 C ATOM 0 H VAL A 112 4.648 2.287 7.502 1.00 0.00 H new ATOM 0 HA VAL A 112 3.484 1.247 4.998 1.00 0.00 H new ATOM 0 HB VAL A 112 6.349 2.128 5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.526 2.105 3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.107 0.501 3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 112 4.853 1.511 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.801 4.153 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.096 3.646 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 112 4.849 4.042 5.741 1.00 0.00 H new ATOM 1181 N TRP A 113 4.761 -0.970 5.032 1.00 0.00 N ATOM 1182 CA TRP A 113 5.236 -2.336 5.228 1.00 0.00 C ATOM 1183 C TRP A 113 6.086 -2.804 4.050 1.00 0.00 C ATOM 1184 O TRP A 113 5.783 -2.508 2.891 1.00 0.00 O ATOM 1185 CB TRP A 113 4.054 -3.286 5.425 1.00 0.00 C ATOM 1186 CG TRP A 113 4.467 -4.704 5.675 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.599 -5.695 4.745 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.804 -5.290 6.938 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.998 -6.862 5.352 1.00 0.00 N ATOM 1190 CE2 TRP A 113 5.130 -6.638 6.698 1.00 0.00 C ATOM 1191 CE3 TRP A 113 4.862 -4.805 8.248 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.510 -7.506 7.720 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 5.239 -5.667 9.260 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.558 -7.004 8.992 1.00 0.00 C ATOM 0 H TRP A 113 4.330 -0.799 4.123 1.00 0.00 H new ATOM 0 HA TRP A 113 5.859 -2.345 6.122 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.453 -2.937 6.264 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.418 -3.251 4.541 1.00 0.00 H new ATOM 0 HD1 TRP A 113 4.417 -5.579 3.687 1.00 0.00 H new ATOM 0 HE1 TRP A 113 5.168 -7.749 4.878 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.617 -3.776 8.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.758 -8.537 7.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.289 -5.303 10.276 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.848 -7.652 9.806 1.00 0.00 H new ATOM 1205 N CYS A 114 7.149 -3.542 4.364 1.00 0.00 N ATOM 1206 CA CYS A 114 8.056 -4.073 3.350 1.00 0.00 C ATOM 1207 C CYS A 114 7.953 -5.597 3.288 1.00 0.00 C ATOM 1208 O CYS A 114 8.374 -6.293 4.214 1.00 0.00 O ATOM 1209 CB CYS A 114 9.495 -3.661 3.667 1.00 0.00 C ATOM 1210 SG CYS A 114 10.657 -3.934 2.310 1.00 0.00 S ATOM 0 H CYS A 114 7.404 -3.787 5.321 1.00 0.00 H new ATOM 0 HA CYS A 114 7.772 -3.663 2.381 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.508 -2.605 3.935 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.836 -4.216 4.541 1.00 0.00 H new ATOM 0 HG CYS A 114 11.604 -3.046 2.365 1.00 0.00 H new ATOM 1215 N TYR A 115 7.384 -6.107 2.199 1.00 0.00 N ATOM 1216 CA TYR A 115 7.216 -7.547 2.024 1.00 0.00 C ATOM 1217 C TYR A 115 8.556 -8.247 1.815 1.00 0.00 C ATOM 1218 O TYR A 115 8.786 -9.333 2.347 1.00 0.00 O ATOM 1219 CB TYR A 115 6.292 -7.838 0.838 1.00 0.00 C ATOM 1220 CG TYR A 115 4.824 -7.647 1.150 1.00 0.00 C ATOM 1221 CD1 TYR A 115 3.985 -6.989 0.259 1.00 0.00 C ATOM 1222 CD2 TYR A 115 4.276 -8.127 2.334 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.643 -6.814 0.538 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.935 -7.956 2.620 1.00 0.00 C ATOM 1225 CZ TYR A 115 2.123 -7.298 1.719 1.00 0.00 C ATOM 1226 OH TYR A 115 0.787 -7.126 2.001 1.00 0.00 O ATOM 0 H TYR A 115 7.031 -5.545 1.424 1.00 0.00 H new ATOM 0 HA TYR A 115 6.766 -7.936 2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.566 -7.187 0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.453 -8.864 0.506 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.389 -6.608 -0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.909 -8.642 3.042 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.005 -6.301 -0.166 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.524 -8.335 3.544 1.00 0.00 H new ATOM 0 HH TYR A 115 0.582 -7.527 2.872 1.00 0.00 H new ATOM 1236 N ALA A 116 9.435 -7.625 1.036 1.00 0.00 N ATOM 1237 CA ALA A 116 10.747 -8.200 0.760 1.00 0.00 C ATOM 1238 C ALA A 116 11.538 -8.394 2.047 1.00 0.00 C ATOM 1239 O ALA A 116 12.029 -9.486 2.329 1.00 0.00 O ATOM 1240 CB ALA A 116 11.517 -7.319 -0.211 1.00 0.00 C ATOM 0 H ALA A 116 9.264 -6.726 0.586 1.00 0.00 H new ATOM 0 HA ALA A 116 10.601 -9.179 0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.494 -7.761 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.962 -7.236 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.648 -6.328 0.223 1.00 0.00 H new ATOM 1246 N CYS A 117 11.649 -7.326 2.827 1.00 0.00 N ATOM 1247 CA CYS A 117 12.372 -7.376 4.090 1.00 0.00 C ATOM 1248 C CYS A 117 11.603 -8.207 5.112 1.00 0.00 C ATOM 1249 O CYS A 117 12.195 -8.831 5.993 1.00 0.00 O ATOM 1250 CB CYS A 117 12.601 -5.963 4.628 1.00 0.00 C ATOM 1251 SG CYS A 117 14.070 -5.151 3.959 1.00 0.00 S ATOM 0 H CYS A 117 11.247 -6.415 2.607 1.00 0.00 H new ATOM 0 HA CYS A 117 13.340 -7.846 3.914 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.726 -5.353 4.402 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.686 -6.008 5.714 1.00 0.00 H new ATOM 0 HG CYS A 117 13.723 -4.051 3.359 1.00 0.00 H new ATOM 1256 N SER A 118 10.276 -8.203 4.987 1.00 0.00 N ATOM 1257 CA SER A 118 9.409 -8.951 5.895 1.00 0.00 C ATOM 1258 C SER A 118 9.260 -8.217 7.223 1.00 0.00 C ATOM 1259 O SER A 118 9.419 -8.805 8.293 1.00 0.00 O ATOM 1260 CB SER A 118 9.954 -10.363 6.131 1.00 0.00 C ATOM 1261 OG SER A 118 8.909 -11.320 6.128 1.00 0.00 O ATOM 0 H SER A 118 9.777 -7.687 4.262 1.00 0.00 H new ATOM 0 HA SER A 118 8.427 -9.033 5.429 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.680 -10.610 5.356 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.481 -10.398 7.085 1.00 0.00 H new ATOM 0 HG SER A 118 9.283 -12.213 6.279 1.00 0.00 H new ATOM 1267 N LYS A 119 8.953 -6.926 7.145 1.00 0.00 N ATOM 1268 CA LYS A 119 8.783 -6.109 8.342 1.00 0.00 C ATOM 1269 C LYS A 119 8.353 -4.692 7.978 1.00 0.00 C ATOM 1270 O LYS A 119 8.474 -4.272 6.827 1.00 0.00 O ATOM 1271 CB LYS A 119 10.083 -6.069 9.147 1.00 0.00 C ATOM 1272 CG LYS A 119 11.309 -5.755 8.306 1.00 0.00 C ATOM 1273 CD LYS A 119 11.475 -4.257 8.096 1.00 0.00 C ATOM 1274 CE LYS A 119 12.890 -3.802 8.415 1.00 0.00 C ATOM 1275 NZ LYS A 119 12.946 -2.350 8.740 1.00 0.00 N ATOM 0 H LYS A 119 8.817 -6.424 6.268 1.00 0.00 H new ATOM 0 HA LYS A 119 8.000 -6.561 8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.991 -5.320 9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.226 -7.031 9.638 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.198 -6.155 8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.225 -6.251 7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.235 -4.005 7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.768 -3.720 8.728 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.275 -4.378 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.539 -4.009 7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.458 -1.846 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.979 -1.973 8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.439 -2.216 9.646 1.00 0.00 H new ATOM 1289 N GLU A 120 7.854 -3.958 8.968 1.00 0.00 N ATOM 1290 CA GLU A 120 7.409 -2.587 8.752 1.00 0.00 C ATOM 1291 C GLU A 120 8.600 -1.655 8.558 1.00 0.00 C ATOM 1292 O GLU A 120 9.650 -1.839 9.173 1.00 0.00 O ATOM 1293 CB GLU A 120 6.559 -2.111 9.932 1.00 0.00 C ATOM 1294 CG GLU A 120 7.315 -2.077 11.250 1.00 0.00 C ATOM 1295 CD GLU A 120 6.420 -2.359 12.442 1.00 0.00 C ATOM 1296 OE1 GLU A 120 5.340 -2.954 12.246 1.00 0.00 O ATOM 1297 OE2 GLU A 120 6.800 -1.985 13.572 1.00 0.00 O ATOM 0 H GLU A 120 7.748 -4.290 9.927 1.00 0.00 H new ATOM 0 HA GLU A 120 6.802 -2.566 7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 120 6.178 -1.113 9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.695 -2.767 10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.120 -2.812 11.222 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.780 -1.099 11.373 1.00 0.00 H new ATOM 1304 N VAL A 121 8.431 -0.656 7.699 1.00 0.00 N ATOM 1305 CA VAL A 121 9.494 0.302 7.424 1.00 0.00 C ATOM 1306 C VAL A 121 8.956 1.728 7.392 1.00 0.00 C ATOM 1307 O VAL A 121 7.760 1.947 7.205 1.00 0.00 O ATOM 1308 CB VAL A 121 10.190 -0.001 6.084 1.00 0.00 C ATOM 1309 CG1 VAL A 121 10.980 -1.297 6.174 1.00 0.00 C ATOM 1310 CG2 VAL A 121 9.169 -0.066 4.956 1.00 0.00 C ATOM 0 H VAL A 121 7.568 -0.489 7.181 1.00 0.00 H new ATOM 0 HA VAL A 121 10.219 0.209 8.232 1.00 0.00 H new ATOM 0 HB VAL A 121 10.888 0.807 5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.465 -1.495 5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.737 -1.208 6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.305 -2.118 6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.678 -0.281 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.445 -0.854 5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.652 0.890 4.878 1.00 0.00 H new ATOM 1320 N PHE A 122 9.848 2.696 7.576 1.00 0.00 N ATOM 1321 CA PHE A 122 9.463 4.103 7.568 1.00 0.00 C ATOM 1322 C PHE A 122 10.261 4.879 6.526 1.00 0.00 C ATOM 1323 O PHE A 122 11.492 4.822 6.503 1.00 0.00 O ATOM 1324 CB PHE A 122 9.672 4.721 8.952 1.00 0.00 C ATOM 1325 CG PHE A 122 11.055 4.511 9.500 1.00 0.00 C ATOM 1326 CD1 PHE A 122 12.017 5.501 9.383 1.00 0.00 C ATOM 1327 CD2 PHE A 122 11.391 3.325 10.132 1.00 0.00 C ATOM 1328 CE1 PHE A 122 13.290 5.312 9.886 1.00 0.00 C ATOM 1329 CE2 PHE A 122 12.663 3.130 10.636 1.00 0.00 C ATOM 1330 CZ PHE A 122 13.614 4.125 10.514 1.00 0.00 C ATOM 0 H PHE A 122 10.842 2.532 7.732 1.00 0.00 H new ATOM 0 HA PHE A 122 8.406 4.162 7.309 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.470 5.791 8.898 1.00 0.00 H new ATOM 0 HB3 PHE A 122 8.947 4.294 9.645 1.00 0.00 H new ATOM 0 HD1 PHE A 122 11.769 6.431 8.893 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.651 2.545 10.232 1.00 0.00 H new ATOM 0 HE1 PHE A 122 14.031 6.092 9.788 1.00 0.00 H new ATOM 0 HE2 PHE A 122 12.914 2.200 11.125 1.00 0.00 H new ATOM 0 HZ PHE A 122 14.608 3.975 10.909 1.00 0.00 H new