USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 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 20 ASN : amide:sc= 0.398 K(o=1,f=-3.9) USER MOD Set 1.2: A 65 LYS NZ :NH3+ -125:sc= 0.613 (180deg=-0.676) USER MOD Set 2.1: A 36 ASN : amide:sc= -1.94 K(o=-1.2,f=-6.3!) USER MOD Set 2.2: A 37 SER OG : rot 24:sc= 0.713 USER MOD Set 3.1: A 17 TYR OH : rot 180:sc= 1.01 USER MOD Set 3.2: A 72 THR OG1 : rot 158:sc= 1.19 USER MOD Set 4.1: A 3 THR OG1 : rot 180:sc= 0.603 USER MOD Set 4.2: A 6 GLN : amide:sc= 0.63 K(o=1.2,f=0.35) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.404 K(o=0.4,f=-0.77) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.003 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.68 K(o=0.68,f=-0.82) USER MOD Single : A 49 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A 52 LYS NZ :NH3+ 142:sc= 3.09 (180deg=1.29) USER MOD Single : A 53 SER OG : rot 11:sc= 0.691 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.287 K(o=0.29,f=-4.2!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 11:sc= 0.752 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc=-0.00909 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 6.647 -12.691 2.609 1.00 -0.46 N ATOM 14 CA ILE A 2 6.006 -11.451 3.067 1.00 0.04 C ATOM 15 C ILE A 2 4.740 -11.713 3.875 1.00 0.62 C ATOM 16 O ILE A 2 4.081 -12.706 3.612 1.00 -0.50 O ATOM 17 CB ILE A 2 5.695 -10.482 1.882 1.00 -0.01 C ATOM 18 CG1 ILE A 2 4.499 -10.930 0.987 1.00 -0.05 C ATOM 19 CG2 ILE A 2 6.964 -10.141 1.044 1.00 -0.09 C ATOM 20 CD1 ILE A 2 4.631 -12.280 0.246 1.00 -0.09 C ATOM 0 HA ILE A 2 6.729 -10.969 3.725 1.00 0.04 H new ATOM 0 HB ILE A 2 5.364 -9.558 2.356 1.00 -0.01 H new ATOM 0 HG12 ILE A 2 3.608 -10.975 1.613 1.00 -0.05 H new ATOM 0 HG13 ILE A 2 4.326 -10.153 0.243 1.00 -0.05 H new ATOM 0 HG21 ILE A 2 6.694 -9.465 0.233 1.00 -0.09 H new ATOM 0 HG22 ILE A 2 7.705 -9.662 1.684 1.00 -0.09 H new ATOM 0 HG23 ILE A 2 7.382 -11.057 0.628 1.00 -0.09 H new ATOM 0 HD11 ILE A 2 3.729 -12.465 -0.337 1.00 -0.09 H new ATOM 0 HD12 ILE A 2 5.493 -12.247 -0.420 1.00 -0.09 H new ATOM 0 HD13 ILE A 2 4.764 -13.082 0.972 1.00 -0.09 H new ATOM 32 N THR A 3 4.373 -10.836 4.847 1.00 -0.46 N ATOM 33 CA THR A 3 3.164 -11.018 5.670 1.00 0.04 C ATOM 34 C THR A 3 2.604 -9.664 6.071 1.00 0.62 C ATOM 35 O THR A 3 3.349 -8.696 6.079 1.00 -0.50 O ATOM 36 CB THR A 3 3.451 -11.761 7.006 1.00 0.17 C ATOM 37 OG1 THR A 3 4.670 -11.226 7.551 1.00 -0.55 O ATOM 38 CG2 THR A 3 3.531 -13.300 6.832 1.00 -0.19 C ATOM 0 H THR A 3 4.904 -9.996 5.074 1.00 -0.46 H new ATOM 0 HA THR A 3 2.475 -11.600 5.058 1.00 0.04 H new ATOM 0 HB THR A 3 2.622 -11.595 7.694 1.00 0.17 H new ATOM 0 HG1 THR A 3 4.875 -11.676 8.397 1.00 -0.55 H new ATOM 0 HG21 THR A 3 3.733 -13.765 7.797 1.00 -0.19 H new ATOM 0 HG22 THR A 3 2.584 -13.672 6.441 1.00 -0.19 H new ATOM 0 HG23 THR A 3 4.332 -13.546 6.135 1.00 -0.19 H new ATOM 46 N CYS A 4 1.300 -9.569 6.427 1.00 -0.46 N ATOM 47 CA CYS A 4 0.728 -8.267 6.764 1.00 0.04 C ATOM 48 C CYS A 4 1.551 -7.473 7.758 1.00 0.62 C ATOM 49 O CYS A 4 1.740 -6.283 7.549 1.00 -0.50 O ATOM 50 CB CYS A 4 -0.726 -8.364 7.299 1.00 -0.10 C ATOM 51 SG CYS A 4 -1.947 -9.004 6.096 1.00 0.82 S ATOM 0 H CYS A 4 0.653 -10.356 6.484 1.00 -0.46 H new ATOM 0 HA CYS A 4 0.731 -7.736 5.812 1.00 0.04 H new ATOM 0 HB2 CYS A 4 -0.732 -9.008 8.179 1.00 -0.10 H new ATOM 0 HB3 CYS A 4 -1.044 -7.374 7.626 1.00 -0.10 H new ATOM 56 N GLY A 5 2.049 -8.097 8.845 1.00 -0.46 N ATOM 57 CA GLY A 5 2.848 -7.333 9.802 1.00 0.04 C ATOM 58 C GLY A 5 3.983 -6.601 9.116 1.00 0.62 C ATOM 59 O GLY A 5 4.226 -5.440 9.411 1.00 -0.50 O ATOM 0 H GLY A 5 1.917 -9.083 9.070 1.00 -0.46 H new ATOM 0 HA2 GLY A 5 2.211 -6.616 10.319 1.00 0.04 H new ATOM 0 HA3 GLY A 5 3.252 -8.005 10.559 1.00 0.04 H new ATOM 63 N GLN A 6 4.693 -7.277 8.186 1.00 -0.46 N ATOM 64 CA GLN A 6 5.817 -6.633 7.508 1.00 0.04 C ATOM 65 C GLN A 6 5.285 -5.552 6.593 1.00 0.62 C ATOM 66 O GLN A 6 5.820 -4.454 6.552 1.00 -0.50 O ATOM 67 CB GLN A 6 6.626 -7.633 6.634 1.00 -0.10 C ATOM 68 CG GLN A 6 7.223 -8.801 7.462 1.00 -0.10 C ATOM 69 CD GLN A 6 7.917 -9.807 6.575 1.00 0.68 C ATOM 70 OE1 GLN A 6 9.009 -9.514 6.100 1.00 -0.47 O ATOM 71 NE2 GLN A 6 7.345 -10.998 6.318 1.00 -0.87 N ATOM 0 H GLN A 6 4.509 -8.239 7.900 1.00 -0.46 H new ATOM 0 HA GLN A 6 6.474 -6.229 8.278 1.00 0.04 H new ATOM 0 HB2 GLN A 6 5.978 -8.038 5.857 1.00 -0.10 H new ATOM 0 HB3 GLN A 6 7.433 -7.100 6.131 1.00 -0.10 H new ATOM 0 HG2 GLN A 6 7.931 -8.407 8.191 1.00 -0.10 H new ATOM 0 HG3 GLN A 6 6.429 -9.295 8.023 1.00 -0.10 H new ATOM 0 HE21 GLN A 6 6.436 -11.225 6.722 1.00 -0.87 H new ATOM 0 HE22 GLN A 6 7.820 -11.674 5.720 1.00 -0.87 H new ATOM 80 N VAL A 7 4.214 -5.871 5.837 1.00 -0.46 N ATOM 81 CA VAL A 7 3.709 -4.924 4.851 1.00 0.04 C ATOM 82 C VAL A 7 3.305 -3.639 5.543 1.00 0.62 C ATOM 83 O VAL A 7 3.756 -2.568 5.163 1.00 -0.50 O ATOM 84 CB VAL A 7 2.508 -5.535 4.075 1.00 -0.01 C ATOM 85 CG1 VAL A 7 1.868 -4.479 3.146 1.00 -0.09 C ATOM 86 CG2 VAL A 7 2.919 -6.787 3.246 1.00 -0.09 C ATOM 0 H VAL A 7 3.703 -6.752 5.894 1.00 -0.46 H new ATOM 0 HA VAL A 7 4.496 -4.703 4.130 1.00 0.04 H new ATOM 0 HB VAL A 7 1.778 -5.854 4.819 1.00 -0.01 H new ATOM 0 HG11 VAL A 7 1.029 -4.925 2.611 1.00 -0.09 H new ATOM 0 HG12 VAL A 7 1.513 -3.638 3.742 1.00 -0.09 H new ATOM 0 HG13 VAL A 7 2.610 -4.128 2.429 1.00 -0.09 H new ATOM 0 HG21 VAL A 7 2.047 -7.178 2.722 1.00 -0.09 H new ATOM 0 HG22 VAL A 7 3.684 -6.508 2.521 1.00 -0.09 H new ATOM 0 HG23 VAL A 7 3.314 -7.552 3.914 1.00 -0.09 H new ATOM 96 N THR A 8 2.436 -3.724 6.571 1.00 -0.46 N ATOM 97 CA THR A 8 2.023 -2.513 7.276 1.00 0.04 C ATOM 98 C THR A 8 3.237 -1.819 7.853 1.00 0.62 C ATOM 99 O THR A 8 3.319 -0.601 7.785 1.00 -0.50 O ATOM 100 CB THR A 8 1.010 -2.884 8.391 1.00 0.17 C ATOM 101 OG1 THR A 8 -0.017 -3.687 7.781 1.00 -0.55 O ATOM 102 CG2 THR A 8 0.378 -1.622 9.034 1.00 -0.19 C ATOM 0 H THR A 8 2.024 -4.591 6.916 1.00 -0.46 H new ATOM 0 HA THR A 8 1.537 -1.828 6.582 1.00 0.04 H new ATOM 0 HB THR A 8 1.522 -3.425 9.187 1.00 0.17 H new ATOM 0 HG1 THR A 8 -0.677 -3.943 8.458 1.00 -0.55 H new ATOM 0 HG21 THR A 8 -0.326 -1.923 9.810 1.00 -0.19 H new ATOM 0 HG22 THR A 8 1.162 -1.006 9.474 1.00 -0.19 H new ATOM 0 HG23 THR A 8 -0.147 -1.049 8.270 1.00 -0.19 H new ATOM 110 N SER A 9 4.200 -2.582 8.420 1.00 -0.46 N ATOM 111 CA SER A 9 5.391 -1.952 8.987 1.00 0.04 C ATOM 112 C SER A 9 6.136 -1.154 7.938 1.00 0.62 C ATOM 113 O SER A 9 6.526 -0.029 8.214 1.00 -0.50 O ATOM 114 CB SER A 9 6.346 -2.994 9.623 1.00 0.02 C ATOM 115 OG SER A 9 7.469 -2.357 10.257 1.00 -0.55 O ATOM 0 H SER A 9 4.171 -3.599 8.491 1.00 -0.46 H new ATOM 0 HA SER A 9 5.048 -1.278 9.772 1.00 0.04 H new ATOM 0 HB2 SER A 9 5.802 -3.589 10.356 1.00 0.02 H new ATOM 0 HB3 SER A 9 6.701 -3.681 8.855 1.00 0.02 H new ATOM 0 HG SER A 9 8.053 -3.039 10.650 1.00 -0.55 H new ATOM 121 N ASN A 10 6.334 -1.695 6.714 1.00 -0.46 N ATOM 122 CA ASN A 10 6.962 -0.892 5.663 1.00 0.04 C ATOM 123 C ASN A 10 6.227 0.415 5.498 1.00 0.62 C ATOM 124 O ASN A 10 6.858 1.452 5.364 1.00 -0.50 O ATOM 125 CB ASN A 10 6.949 -1.601 4.287 1.00 -0.09 C ATOM 126 CG ASN A 10 8.020 -2.655 4.228 1.00 0.68 C ATOM 127 OD1 ASN A 10 8.096 -3.483 5.130 1.00 -0.47 O ATOM 128 ND2 ASN A 10 8.874 -2.660 3.192 1.00 -0.87 N ATOM 0 H ASN A 10 6.077 -2.645 6.445 1.00 -0.46 H new ATOM 0 HA ASN A 10 7.994 -0.736 5.976 1.00 0.04 H new ATOM 0 HB2 ASN A 10 5.973 -2.055 4.115 1.00 -0.09 H new ATOM 0 HB3 ASN A 10 7.105 -0.870 3.493 1.00 -0.09 H new ATOM 0 HD21 ASN A 10 9.610 -3.365 3.141 1.00 -0.87 H new ATOM 0 HD22 ASN A 10 8.787 -1.959 2.456 1.00 -0.87 H new ATOM 135 N LEU A 11 4.879 0.378 5.510 1.00 -0.46 N ATOM 136 CA LEU A 11 4.107 1.607 5.354 1.00 0.04 C ATOM 137 C LEU A 11 3.878 2.357 6.650 1.00 0.62 C ATOM 138 O LEU A 11 2.979 3.182 6.687 1.00 -0.50 O ATOM 139 CB LEU A 11 2.825 1.301 4.526 1.00 -0.06 C ATOM 140 CG LEU A 11 3.112 1.257 2.992 1.00 -0.01 C ATOM 141 CD1 LEU A 11 3.604 -0.121 2.486 1.00 -0.11 C ATOM 142 CD2 LEU A 11 1.922 1.831 2.173 1.00 -0.11 C ATOM 0 H LEU A 11 4.323 -0.470 5.623 1.00 -0.46 H new ATOM 0 HA LEU A 11 4.697 2.326 4.785 1.00 0.04 H new ATOM 0 HB2 LEU A 11 2.409 0.345 4.844 1.00 -0.06 H new ATOM 0 HB3 LEU A 11 2.071 2.061 4.732 1.00 -0.06 H new ATOM 0 HG LEU A 11 3.961 1.919 2.819 1.00 -0.01 H new ATOM 0 HD11 LEU A 11 3.782 -0.072 1.412 1.00 -0.11 H new ATOM 0 HD12 LEU A 11 4.531 -0.386 2.995 1.00 -0.11 H new ATOM 0 HD13 LEU A 11 2.847 -0.877 2.694 1.00 -0.11 H new ATOM 0 HD21 LEU A 11 2.156 1.785 1.109 1.00 -0.11 H new ATOM 0 HD22 LEU A 11 1.026 1.244 2.373 1.00 -0.11 H new ATOM 0 HD23 LEU A 11 1.748 2.868 2.461 1.00 -0.11 H new ATOM 154 N ALA A 12 4.693 2.158 7.712 1.00 -0.46 N ATOM 155 CA ALA A 12 4.471 2.913 8.942 1.00 0.04 C ATOM 156 C ALA A 12 4.390 4.415 8.708 1.00 0.62 C ATOM 157 O ALA A 12 3.396 4.979 9.144 1.00 -0.50 O ATOM 158 CB ALA A 12 5.471 2.566 10.076 1.00 -0.10 C ATOM 0 H ALA A 12 5.477 1.506 7.734 1.00 -0.46 H new ATOM 0 HA ALA A 12 3.491 2.589 9.291 1.00 0.04 H new ATOM 0 HB1 ALA A 12 5.244 3.166 10.957 1.00 -0.10 H new ATOM 0 HB2 ALA A 12 5.386 1.508 10.325 1.00 -0.10 H new ATOM 0 HB3 ALA A 12 6.487 2.780 9.743 1.00 -0.10 H new ATOM 164 N PRO A 13 5.334 5.136 8.043 1.00 -0.23 N ATOM 165 CA PRO A 13 5.167 6.580 7.901 1.00 0.04 C ATOM 166 C PRO A 13 4.120 6.925 6.864 1.00 0.53 C ATOM 167 O PRO A 13 3.643 8.050 6.861 1.00 -0.50 O ATOM 168 CB PRO A 13 6.599 6.969 7.471 1.00 -0.12 C ATOM 169 CG PRO A 13 7.027 5.761 6.619 1.00 -0.12 C ATOM 170 CD PRO A 13 6.512 4.541 7.417 1.00 -0.01 C ATOM 0 HA PRO A 13 4.809 7.101 8.789 1.00 0.04 H new ATOM 0 HB2 PRO A 13 6.613 7.896 6.898 1.00 -0.12 H new ATOM 0 HB3 PRO A 13 7.256 7.114 8.329 1.00 -0.12 H new ATOM 0 HG2 PRO A 13 6.588 5.800 5.622 1.00 -0.12 H new ATOM 0 HG3 PRO A 13 8.109 5.726 6.490 1.00 -0.12 H new ATOM 0 HD2 PRO A 13 6.262 3.696 6.775 1.00 -0.01 H new ATOM 0 HD3 PRO A 13 7.237 4.183 8.147 1.00 -0.01 H new ATOM 178 N CYS A 14 3.709 5.987 5.980 1.00 -0.46 N ATOM 179 CA CYS A 14 2.590 6.274 5.083 1.00 0.04 C ATOM 180 C CYS A 14 1.304 6.379 5.880 1.00 0.62 C ATOM 181 O CYS A 14 0.451 7.178 5.532 1.00 -0.50 O ATOM 182 CB CYS A 14 2.373 5.128 4.069 1.00 -0.10 C ATOM 183 SG CYS A 14 3.917 4.572 3.285 1.00 0.82 S ATOM 0 H CYS A 14 4.124 5.061 5.877 1.00 -0.46 H new ATOM 0 HA CYS A 14 2.829 7.204 4.566 1.00 0.04 H new ATOM 0 HB2 CYS A 14 1.905 4.284 4.577 1.00 -0.10 H new ATOM 0 HB3 CYS A 14 1.679 5.460 3.297 1.00 -0.10 H new ATOM 188 N LEU A 15 1.138 5.575 6.954 1.00 -0.46 N ATOM 189 CA LEU A 15 -0.102 5.622 7.736 1.00 0.04 C ATOM 190 C LEU A 15 -0.421 7.077 8.045 1.00 0.62 C ATOM 191 O LEU A 15 -1.559 7.504 7.920 1.00 -0.50 O ATOM 192 CB LEU A 15 -0.035 4.797 9.058 1.00 -0.06 C ATOM 193 CG LEU A 15 0.381 3.294 8.940 1.00 -0.01 C ATOM 194 CD1 LEU A 15 0.525 2.653 10.347 1.00 -0.11 C ATOM 195 CD2 LEU A 15 -0.568 2.435 8.069 1.00 -0.11 C ATOM 0 H LEU A 15 1.831 4.905 7.287 1.00 -0.46 H new ATOM 0 HA LEU A 15 -0.888 5.164 7.136 1.00 0.04 H new ATOM 0 HB2 LEU A 15 0.668 5.291 9.729 1.00 -0.06 H new ATOM 0 HB3 LEU A 15 -1.015 4.840 9.534 1.00 -0.06 H new ATOM 0 HG LEU A 15 1.343 3.302 8.427 1.00 -0.01 H new ATOM 0 HD11 LEU A 15 0.815 1.607 10.243 1.00 -0.11 H new ATOM 0 HD12 LEU A 15 1.288 3.186 10.913 1.00 -0.11 H new ATOM 0 HD13 LEU A 15 -0.427 2.715 10.874 1.00 -0.11 H new ATOM 0 HD21 LEU A 15 -0.206 1.407 8.041 1.00 -0.11 H new ATOM 0 HD22 LEU A 15 -1.571 2.455 8.496 1.00 -0.11 H new ATOM 0 HD23 LEU A 15 -0.596 2.837 7.056 1.00 -0.11 H new ATOM 207 N ALA A 16 0.610 7.862 8.428 1.00 -0.46 N ATOM 208 CA ALA A 16 0.430 9.301 8.647 1.00 0.04 C ATOM 209 C ALA A 16 -0.148 9.993 7.422 1.00 0.62 C ATOM 210 O ALA A 16 -1.078 10.779 7.536 1.00 -0.50 O ATOM 211 CB ALA A 16 1.779 9.976 9.045 1.00 -0.10 C ATOM 0 H ALA A 16 1.559 7.524 8.588 1.00 -0.46 H new ATOM 0 HA ALA A 16 -0.281 9.410 9.466 1.00 0.04 H new ATOM 0 HB1 ALA A 16 1.620 11.043 9.202 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 2.154 9.526 9.964 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 2.507 9.832 8.247 1.00 -0.10 H new ATOM 217 N TYR A 17 0.402 9.708 6.224 1.00 -0.46 N ATOM 218 CA TYR A 17 -0.137 10.286 4.987 1.00 0.04 C ATOM 219 C TYR A 17 -1.581 9.878 4.779 1.00 0.62 C ATOM 220 O TYR A 17 -2.390 10.701 4.377 1.00 -0.50 O ATOM 221 CB TYR A 17 0.721 9.799 3.788 1.00 -0.10 C ATOM 222 CG TYR A 17 0.265 10.349 2.430 1.00 -0.03 C ATOM 223 CD1 TYR A 17 0.456 11.703 2.131 1.00 0.00 C ATOM 224 CD2 TYR A 17 -0.315 9.511 1.474 1.00 0.00 C ATOM 225 CE1 TYR A 17 0.171 12.180 0.849 1.00 -0.26 C ATOM 226 CE2 TYR A 17 -0.506 9.963 0.164 1.00 -0.26 C ATOM 227 CZ TYR A 17 -0.292 11.307 -0.141 1.00 0.46 C ATOM 228 OH TYR A 17 -0.546 11.790 -1.419 1.00 -0.53 O ATOM 0 H TYR A 17 1.204 9.092 6.092 1.00 -0.46 H new ATOM 0 HA TYR A 17 -0.100 11.373 5.061 1.00 0.04 H new ATOM 0 HB2 TYR A 17 1.758 10.088 3.956 1.00 -0.10 H new ATOM 0 HB3 TYR A 17 0.695 8.710 3.755 1.00 -0.10 H new ATOM 0 HD1 TYR A 17 0.823 12.378 2.890 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.617 8.511 1.747 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.309 13.227 0.622 1.00 -0.26 H new ATOM 0 HE2 TYR A 17 -0.818 9.275 -0.608 1.00 -0.26 H new ATOM 0 HH TYR A 17 -0.860 11.058 -1.989 1.00 -0.53 H new ATOM 238 N LEU A 18 -1.909 8.601 5.069 1.00 -0.46 N ATOM 239 CA LEU A 18 -3.285 8.119 4.923 1.00 0.04 C ATOM 240 C LEU A 18 -4.217 8.787 5.902 1.00 0.62 C ATOM 241 O LEU A 18 -5.361 9.070 5.575 1.00 -0.50 O ATOM 242 CB LEU A 18 -3.376 6.582 5.151 1.00 -0.06 C ATOM 243 CG LEU A 18 -2.452 5.737 4.235 1.00 -0.01 C ATOM 244 CD1 LEU A 18 -2.603 4.222 4.544 1.00 -0.11 C ATOM 245 CD2 LEU A 18 -2.796 5.987 2.754 1.00 -0.11 C ATOM 0 H LEU A 18 -1.246 7.900 5.400 1.00 -0.46 H new ATOM 0 HA LEU A 18 -3.584 8.364 3.904 1.00 0.04 H new ATOM 0 HB2 LEU A 18 -3.130 6.367 6.191 1.00 -0.06 H new ATOM 0 HB3 LEU A 18 -4.407 6.265 4.996 1.00 -0.06 H new ATOM 0 HG LEU A 18 -1.422 6.039 4.428 1.00 -0.01 H new ATOM 0 HD11 LEU A 18 -1.946 3.650 3.889 1.00 -0.11 H new ATOM 0 HD12 LEU A 18 -2.333 4.034 5.583 1.00 -0.11 H new ATOM 0 HD13 LEU A 18 -3.636 3.918 4.376 1.00 -0.11 H new ATOM 0 HD21 LEU A 18 -2.140 5.388 2.122 1.00 -0.11 H new ATOM 0 HD22 LEU A 18 -3.833 5.707 2.569 1.00 -0.11 H new ATOM 0 HD23 LEU A 18 -2.658 7.043 2.522 1.00 -0.11 H new ATOM 257 N ARG A 19 -3.709 9.057 7.118 1.00 -0.46 N ATOM 258 CA ARG A 19 -4.513 9.787 8.089 1.00 0.04 C ATOM 259 C ARG A 19 -4.827 11.199 7.618 1.00 0.62 C ATOM 260 O ARG A 19 -5.697 11.827 8.201 1.00 -0.50 O ATOM 261 CB ARG A 19 -3.749 9.761 9.441 1.00 -0.08 C ATOM 262 CG ARG A 19 -4.511 10.397 10.628 1.00 -0.10 C ATOM 263 CD ARG A 19 -5.826 9.646 10.958 1.00 -0.23 C ATOM 264 NE ARG A 19 -6.378 10.215 12.188 1.00 -0.32 N ATOM 265 CZ ARG A 19 -5.914 9.963 13.393 1.00 0.76 C ATOM 266 NH1 ARG A 19 -4.924 9.134 13.627 1.00 -0.62 N ATOM 267 NH2 ARG A 19 -6.466 10.572 14.414 1.00 -0.62 N ATOM 0 H ARG A 19 -2.778 8.788 7.436 1.00 -0.46 H new ATOM 0 HA ARG A 19 -5.486 9.310 8.212 1.00 0.04 H new ATOM 0 HB2 ARG A 19 -3.515 8.726 9.690 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 -2.799 10.281 9.316 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 -3.868 10.402 11.508 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 -4.739 11.437 10.394 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 -6.538 9.747 10.139 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 -5.634 8.580 11.084 1.00 -0.23 H new ATOM 0 HE ARG A 19 -7.174 10.848 12.106 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 -4.473 8.647 12.853 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 -4.605 8.977 14.583 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 -7.236 11.223 14.264 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 -6.125 10.394 15.359 1.00 -0.62 H new ATOM 281 N ASN A 20 -4.150 11.729 6.572 1.00 -0.46 N ATOM 282 CA ASN A 20 -4.419 13.087 6.099 1.00 0.04 C ATOM 283 C ASN A 20 -3.978 14.102 7.123 1.00 0.62 C ATOM 284 O ASN A 20 -4.746 14.982 7.477 1.00 -0.50 O ATOM 285 CB ASN A 20 -5.866 13.318 5.588 1.00 -0.09 C ATOM 286 CG ASN A 20 -5.964 14.613 4.816 1.00 0.68 C ATOM 287 OD1 ASN A 20 -5.206 14.779 3.866 1.00 -0.47 O ATOM 288 ND2 ASN A 20 -6.861 15.553 5.170 1.00 -0.87 N ATOM 0 H ASN A 20 -3.424 11.236 6.052 1.00 -0.46 H new ATOM 0 HA ASN A 20 -3.813 13.228 5.204 1.00 0.04 H new ATOM 0 HB2 ASN A 20 -6.168 12.487 4.951 1.00 -0.09 H new ATOM 0 HB3 ASN A 20 -6.555 13.340 6.432 1.00 -0.09 H new ATOM 0 HD21 ASN A 20 -6.920 16.425 4.644 1.00 -0.87 H new ATOM 0 HD22 ASN A 20 -7.481 15.393 5.964 1.00 -0.87 H new ATOM 295 N THR A 21 -2.713 13.978 7.583 1.00 -0.46 N ATOM 296 CA THR A 21 -2.183 14.929 8.562 1.00 0.04 C ATOM 297 C THR A 21 -0.677 14.852 8.709 1.00 0.62 C ATOM 298 O THR A 21 -0.045 15.897 8.681 1.00 -0.50 O ATOM 299 CB THR A 21 -2.858 14.780 9.958 1.00 0.17 C ATOM 300 OG1 THR A 21 -2.425 15.818 10.857 1.00 -0.55 O ATOM 301 CG2 THR A 21 -2.529 13.431 10.639 1.00 -0.19 C ATOM 0 H THR A 21 -2.062 13.247 7.297 1.00 -0.46 H new ATOM 0 HA THR A 21 -2.428 15.912 8.161 1.00 0.04 H new ATOM 0 HB THR A 21 -3.929 14.843 9.767 1.00 0.17 H new ATOM 0 HG1 THR A 21 -2.864 15.703 11.725 1.00 -0.55 H new ATOM 0 HG21 THR A 21 -3.026 13.382 11.608 1.00 -0.19 H new ATOM 0 HG22 THR A 21 -2.878 12.612 10.011 1.00 -0.19 H new ATOM 0 HG23 THR A 21 -1.451 13.347 10.779 1.00 -0.19 H new ATOM 309 N GLY A 22 -0.059 13.657 8.866 1.00 -0.46 N ATOM 310 CA GLY A 22 1.383 13.612 9.068 1.00 0.04 C ATOM 311 C GLY A 22 2.088 13.470 7.737 1.00 0.62 C ATOM 312 O GLY A 22 1.456 13.006 6.800 1.00 -0.50 O ATOM 0 H GLY A 22 -0.527 12.751 8.856 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 1.717 14.520 9.570 1.00 0.04 H new ATOM 0 HA3 GLY A 22 1.642 12.775 9.717 1.00 0.04 H new ATOM 316 N PRO A 23 3.382 13.844 7.600 1.00 -0.23 N ATOM 317 CA PRO A 23 4.025 13.792 6.293 1.00 0.04 C ATOM 318 C PRO A 23 4.352 12.389 5.838 1.00 0.53 C ATOM 319 O PRO A 23 4.158 11.437 6.576 1.00 -0.50 O ATOM 320 CB PRO A 23 5.301 14.621 6.595 1.00 -0.12 C ATOM 321 CG PRO A 23 5.569 14.362 8.096 1.00 -0.12 C ATOM 322 CD PRO A 23 4.156 14.371 8.716 1.00 -0.01 C ATOM 0 HA PRO A 23 3.407 14.163 5.476 1.00 0.04 H new ATOM 0 HB2 PRO A 23 6.141 14.300 5.978 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 5.145 15.681 6.394 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 6.072 13.409 8.256 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 6.204 15.134 8.530 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 4.087 13.742 9.604 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 3.836 15.371 9.008 1.00 -0.01 H new ATOM 330 N LEU A 24 4.858 12.264 4.587 1.00 -0.46 N ATOM 331 CA LEU A 24 5.216 10.954 4.042 1.00 0.04 C ATOM 332 C LEU A 24 6.517 10.458 4.649 1.00 0.62 C ATOM 333 O LEU A 24 6.658 9.256 4.834 1.00 -0.50 O ATOM 334 CB LEU A 24 5.404 10.976 2.499 1.00 -0.06 C ATOM 335 CG LEU A 24 4.083 11.074 1.673 1.00 -0.01 C ATOM 336 CD1 LEU A 24 3.731 12.537 1.296 1.00 -0.11 C ATOM 337 CD2 LEU A 24 4.188 10.198 0.392 1.00 -0.11 C ATOM 0 H LEU A 24 5.021 13.047 3.954 1.00 -0.46 H new ATOM 0 HA LEU A 24 4.386 10.294 4.292 1.00 0.04 H new ATOM 0 HB2 LEU A 24 6.041 11.821 2.238 1.00 -0.06 H new ATOM 0 HB3 LEU A 24 5.935 10.072 2.200 1.00 -0.06 H new ATOM 0 HG LEU A 24 3.276 10.701 2.304 1.00 -0.01 H new ATOM 0 HD11 LEU A 24 2.804 12.552 0.722 1.00 -0.11 H new ATOM 0 HD12 LEU A 24 3.605 13.127 2.204 1.00 -0.11 H new ATOM 0 HD13 LEU A 24 4.536 12.962 0.696 1.00 -0.11 H new ATOM 0 HD21 LEU A 24 3.261 10.273 -0.177 1.00 -0.11 H new ATOM 0 HD22 LEU A 24 5.019 10.547 -0.220 1.00 -0.11 H new ATOM 0 HD23 LEU A 24 4.357 9.159 0.675 1.00 -0.11 H new ATOM 349 N GLY A 25 7.497 11.342 4.943 1.00 -0.46 N ATOM 350 CA GLY A 25 8.744 10.871 5.540 1.00 0.04 C ATOM 351 C GLY A 25 9.375 9.790 4.684 1.00 0.62 C ATOM 352 O GLY A 25 9.639 10.066 3.522 1.00 -0.50 O ATOM 0 H GLY A 25 7.444 12.348 4.780 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 9.437 11.705 5.651 1.00 0.04 H new ATOM 0 HA3 GLY A 25 8.550 10.483 6.540 1.00 0.04 H new ATOM 356 N ARG A 26 9.609 8.560 5.209 1.00 -0.46 N ATOM 357 CA ARG A 26 10.192 7.484 4.397 1.00 0.04 C ATOM 358 C ARG A 26 9.132 6.530 3.887 1.00 0.62 C ATOM 359 O ARG A 26 9.375 5.337 3.795 1.00 -0.50 O ATOM 360 CB ARG A 26 11.321 6.784 5.203 1.00 -0.08 C ATOM 361 CG ARG A 26 12.505 7.734 5.546 1.00 -0.10 C ATOM 362 CD ARG A 26 13.316 8.171 4.293 1.00 -0.23 C ATOM 363 NE ARG A 26 14.565 8.849 4.666 1.00 -0.32 N ATOM 364 CZ ARG A 26 15.664 8.232 5.047 1.00 0.76 C ATOM 365 NH1 ARG A 26 15.757 6.930 5.166 1.00 -0.62 N ATOM 366 NH2 ARG A 26 16.728 8.950 5.319 1.00 -0.62 N ATOM 0 H ARG A 26 9.404 8.301 6.174 1.00 -0.46 H new ATOM 0 HA ARG A 26 10.644 7.908 3.500 1.00 0.04 H new ATOM 0 HB2 ARG A 26 10.905 6.384 6.127 1.00 -0.08 H new ATOM 0 HB3 ARG A 26 11.697 5.937 4.629 1.00 -0.08 H new ATOM 0 HG2 ARG A 26 12.118 8.620 6.049 1.00 -0.10 H new ATOM 0 HG3 ARG A 26 13.173 7.235 6.248 1.00 -0.10 H new ATOM 0 HD2 ARG A 26 13.544 7.297 3.683 1.00 -0.23 H new ATOM 0 HD3 ARG A 26 12.709 8.837 3.680 1.00 -0.23 H new ATOM 0 HE ARG A 26 14.582 9.868 4.627 1.00 -0.32 H new ATOM 0 HH11 ARG A 26 14.951 6.340 4.959 1.00 -0.62 H new ATOM 0 HH12 ARG A 26 16.635 6.507 5.466 1.00 -0.62 H new ATOM 0 HH21 ARG A 26 16.693 9.966 5.234 1.00 -0.62 H new ATOM 0 HH22 ARG A 26 17.590 8.492 5.616 1.00 -0.62 H new ATOM 380 N CYS A 27 7.939 7.041 3.509 1.00 -0.46 N ATOM 381 CA CYS A 27 6.930 6.181 2.893 1.00 0.04 C ATOM 382 C CYS A 27 7.463 5.628 1.594 1.00 0.62 C ATOM 383 O CYS A 27 7.457 4.419 1.417 1.00 -0.50 O ATOM 384 CB CYS A 27 5.615 6.976 2.668 1.00 -0.10 C ATOM 385 SG CYS A 27 4.310 5.984 1.893 1.00 0.82 S ATOM 0 H CYS A 27 7.665 8.017 3.619 1.00 -0.46 H new ATOM 0 HA CYS A 27 6.706 5.346 3.558 1.00 0.04 H new ATOM 0 HB2 CYS A 27 5.257 7.353 3.626 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 5.824 7.844 2.042 1.00 -0.10 H new ATOM 390 N CYS A 28 7.930 6.489 0.667 1.00 -0.46 N ATOM 391 CA CYS A 28 8.364 5.962 -0.621 1.00 0.04 C ATOM 392 C CYS A 28 9.402 4.872 -0.419 1.00 0.62 C ATOM 393 O CYS A 28 9.323 3.854 -1.087 1.00 -0.50 O ATOM 394 CB CYS A 28 8.900 7.070 -1.561 1.00 -0.10 C ATOM 395 SG CYS A 28 7.744 8.475 -1.798 1.00 0.82 S ATOM 0 H CYS A 28 8.011 7.499 0.784 1.00 -0.46 H new ATOM 0 HA CYS A 28 7.490 5.533 -1.110 1.00 0.04 H new ATOM 0 HB2 CYS A 28 9.839 7.450 -1.159 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 9.124 6.630 -2.533 1.00 -0.10 H new ATOM 400 N GLY A 29 10.368 5.052 0.509 1.00 -0.46 N ATOM 401 CA GLY A 29 11.355 3.999 0.739 1.00 0.04 C ATOM 402 C GLY A 29 10.711 2.696 1.165 1.00 0.62 C ATOM 403 O GLY A 29 11.055 1.652 0.631 1.00 -0.50 O ATOM 0 H GLY A 29 10.477 5.886 1.086 1.00 -0.46 H new ATOM 0 HA2 GLY A 29 11.931 3.837 -0.172 1.00 0.04 H new ATOM 0 HA3 GLY A 29 12.058 4.323 1.506 1.00 0.04 H new ATOM 407 N GLY A 30 9.775 2.721 2.140 1.00 -0.46 N ATOM 408 CA GLY A 30 9.142 1.473 2.562 1.00 0.04 C ATOM 409 C GLY A 30 8.326 0.856 1.446 1.00 0.62 C ATOM 410 O GLY A 30 8.387 -0.350 1.251 1.00 -0.50 O ATOM 0 H GLY A 30 9.458 3.560 2.626 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 9.907 0.768 2.886 1.00 0.04 H new ATOM 0 HA3 GLY A 30 8.499 1.663 3.421 1.00 0.04 H new ATOM 414 N VAL A 31 7.546 1.679 0.707 1.00 -0.46 N ATOM 415 CA VAL A 31 6.733 1.143 -0.387 1.00 0.04 C ATOM 416 C VAL A 31 7.685 0.518 -1.391 1.00 0.62 C ATOM 417 O VAL A 31 7.507 -0.635 -1.754 1.00 -0.50 O ATOM 418 CB VAL A 31 5.834 2.223 -1.075 1.00 -0.01 C ATOM 419 CG1 VAL A 31 4.949 1.614 -2.200 1.00 -0.09 C ATOM 420 CG2 VAL A 31 4.872 2.917 -0.074 1.00 -0.09 C ATOM 0 H VAL A 31 7.469 2.686 0.849 1.00 -0.46 H new ATOM 0 HA VAL A 31 6.039 0.406 0.018 1.00 0.04 H new ATOM 0 HB VAL A 31 6.536 2.948 -1.488 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 4.341 2.399 -2.650 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 5.587 1.166 -2.962 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 4.298 0.849 -1.777 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 4.270 3.657 -0.601 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 4.217 2.172 0.377 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 5.452 3.410 0.706 1.00 -0.09 H new ATOM 430 N LYS A 32 8.714 1.281 -1.829 1.00 -0.46 N ATOM 431 CA LYS A 32 9.669 0.796 -2.830 1.00 0.04 C ATOM 432 C LYS A 32 10.063 -0.648 -2.604 1.00 0.62 C ATOM 433 O LYS A 32 10.058 -1.425 -3.547 1.00 -0.50 O ATOM 434 CB LYS A 32 10.955 1.663 -2.817 1.00 -0.10 C ATOM 435 CG LYS A 32 11.934 1.306 -3.967 1.00 -0.16 C ATOM 436 CD LYS A 32 13.218 2.180 -3.924 1.00 -0.18 C ATOM 437 CE LYS A 32 14.158 1.820 -2.741 1.00 -0.04 C ATOM 438 NZ LYS A 32 15.374 2.663 -2.733 1.00 -0.14 N ATOM 0 H LYS A 32 8.896 2.230 -1.501 1.00 -0.46 H new ATOM 0 HA LYS A 32 9.166 0.870 -3.794 1.00 0.04 H new ATOM 0 HB2 LYS A 32 10.679 2.715 -2.894 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 11.463 1.536 -1.861 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 12.208 0.253 -3.897 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 11.434 1.442 -4.926 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 13.762 2.063 -4.861 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 12.934 3.230 -3.849 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 13.623 1.944 -1.800 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 14.443 0.770 -2.809 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 15.977 2.394 -1.930 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 15.898 2.525 -3.621 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 15.103 3.663 -2.643 1.00 -0.14 H new ATOM 452 N ALA A 33 10.416 -1.037 -1.358 1.00 -0.46 N ATOM 453 CA ALA A 33 10.863 -2.413 -1.148 1.00 0.04 C ATOM 454 C ALA A 33 9.764 -3.381 -1.529 1.00 0.62 C ATOM 455 O ALA A 33 10.028 -4.398 -2.154 1.00 -0.50 O ATOM 456 CB ALA A 33 11.289 -2.685 0.314 1.00 -0.10 C ATOM 0 H ALA A 33 10.400 -0.445 -0.528 1.00 -0.46 H new ATOM 0 HA ALA A 33 11.737 -2.558 -1.783 1.00 0.04 H new ATOM 0 HB1 ALA A 33 11.611 -3.722 0.412 1.00 -0.10 H new ATOM 0 HB2 ALA A 33 12.112 -2.022 0.583 1.00 -0.10 H new ATOM 0 HB3 ALA A 33 10.445 -2.503 0.979 1.00 -0.10 H new ATOM 462 N LEU A 34 8.504 -3.068 -1.158 1.00 -0.46 N ATOM 463 CA LEU A 34 7.404 -3.943 -1.545 1.00 0.04 C ATOM 464 C LEU A 34 7.156 -3.856 -3.026 1.00 0.62 C ATOM 465 O LEU A 34 6.717 -4.843 -3.578 1.00 -0.50 O ATOM 466 CB LEU A 34 6.067 -3.586 -0.858 1.00 -0.06 C ATOM 467 CG LEU A 34 6.128 -3.697 0.692 1.00 -0.01 C ATOM 468 CD1 LEU A 34 4.865 -2.996 1.237 1.00 -0.11 C ATOM 469 CD2 LEU A 34 6.199 -5.163 1.199 1.00 -0.11 C ATOM 0 H LEU A 34 8.240 -2.247 -0.613 1.00 -0.46 H new ATOM 0 HA LEU A 34 7.714 -4.942 -1.237 1.00 0.04 H new ATOM 0 HB2 LEU A 34 5.785 -2.570 -1.133 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 5.285 -4.246 -1.233 1.00 -0.06 H new ATOM 0 HG LEU A 34 7.043 -3.225 1.050 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 4.862 -3.047 2.326 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 4.864 -1.952 0.923 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 3.976 -3.493 0.848 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 6.239 -5.170 2.288 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 5.315 -5.707 0.865 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 7.092 -5.643 0.800 1.00 -0.11 H new ATOM 481 N VAL A 35 7.403 -2.733 -3.721 1.00 -0.46 N ATOM 482 CA VAL A 35 7.154 -2.710 -5.166 1.00 0.04 C ATOM 483 C VAL A 35 7.915 -3.855 -5.799 1.00 0.62 C ATOM 484 O VAL A 35 7.352 -4.591 -6.596 1.00 -0.50 O ATOM 485 CB VAL A 35 7.603 -1.376 -5.824 1.00 -0.01 C ATOM 486 CG1 VAL A 35 7.347 -1.328 -7.360 1.00 -0.09 C ATOM 487 CG2 VAL A 35 6.880 -0.194 -5.140 1.00 -0.09 C ATOM 0 H VAL A 35 7.760 -1.864 -3.324 1.00 -0.46 H new ATOM 0 HA VAL A 35 6.080 -2.806 -5.326 1.00 0.04 H new ATOM 0 HB VAL A 35 8.681 -1.302 -5.684 1.00 -0.01 H new ATOM 0 HG11 VAL A 35 7.684 -0.370 -7.755 1.00 -0.09 H new ATOM 0 HG12 VAL A 35 7.897 -2.134 -7.846 1.00 -0.09 H new ATOM 0 HG13 VAL A 35 6.281 -1.447 -7.555 1.00 -0.09 H new ATOM 0 HG21 VAL A 35 7.195 0.742 -5.602 1.00 -0.09 H new ATOM 0 HG22 VAL A 35 5.802 -0.311 -5.255 1.00 -0.09 H new ATOM 0 HG23 VAL A 35 7.132 -0.178 -4.080 1.00 -0.09 H new ATOM 497 N ASN A 36 9.209 -4.016 -5.441 1.00 -0.46 N ATOM 498 CA ASN A 36 10.001 -5.080 -6.054 1.00 0.04 C ATOM 499 C ASN A 36 9.461 -6.452 -5.689 1.00 0.62 C ATOM 500 O ASN A 36 9.475 -7.339 -6.529 1.00 -0.50 O ATOM 501 CB ASN A 36 11.504 -4.931 -5.689 1.00 -0.09 C ATOM 502 CG ASN A 36 11.824 -5.283 -4.254 1.00 0.68 C ATOM 503 OD1 ASN A 36 11.475 -6.373 -3.813 1.00 -0.47 O ATOM 504 ND2 ASN A 36 12.501 -4.420 -3.475 1.00 -0.87 N ATOM 0 H ASN A 36 9.703 -3.442 -4.757 1.00 -0.46 H new ATOM 0 HA ASN A 36 9.917 -4.984 -7.136 1.00 0.04 H new ATOM 0 HB2 ASN A 36 12.093 -5.568 -6.349 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 11.814 -3.903 -5.878 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 12.727 -4.671 -2.512 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 12.789 -3.515 -3.847 1.00 -0.87 H new ATOM 511 N SER A 37 8.986 -6.643 -4.437 1.00 -0.46 N ATOM 512 CA SER A 37 8.518 -7.964 -4.002 1.00 0.04 C ATOM 513 C SER A 37 7.107 -8.223 -4.484 1.00 0.62 C ATOM 514 O SER A 37 6.802 -9.317 -4.931 1.00 -0.50 O ATOM 515 CB SER A 37 8.553 -8.082 -2.455 1.00 0.02 C ATOM 516 OG SER A 37 9.893 -7.932 -1.953 1.00 -0.55 O ATOM 0 H SER A 37 8.920 -5.912 -3.729 1.00 -0.46 H new ATOM 0 HA SER A 37 9.189 -8.706 -4.436 1.00 0.04 H new ATOM 0 HB2 SER A 37 7.909 -7.320 -2.015 1.00 0.02 H new ATOM 0 HB3 SER A 37 8.154 -9.050 -2.152 1.00 0.02 H new ATOM 0 HG SER A 37 10.427 -7.419 -2.595 1.00 -0.55 H new ATOM 522 N ALA A 38 6.229 -7.201 -4.434 1.00 -0.46 N ATOM 523 CA ALA A 38 4.868 -7.280 -4.962 1.00 0.04 C ATOM 524 C ALA A 38 4.834 -7.306 -6.474 1.00 0.62 C ATOM 525 O ALA A 38 4.024 -6.598 -7.053 1.00 -0.50 O ATOM 526 CB ALA A 38 4.039 -6.073 -4.418 1.00 -0.10 C ATOM 0 H ALA A 38 6.454 -6.295 -4.022 1.00 -0.46 H new ATOM 0 HA ALA A 38 4.430 -8.219 -4.625 1.00 0.04 H new ATOM 0 HB1 ALA A 38 3.022 -6.125 -4.808 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 4.013 -6.111 -3.329 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 4.503 -5.140 -4.737 1.00 -0.10 H new ATOM 532 N ARG A 39 5.672 -8.129 -7.146 1.00 -0.46 N ATOM 533 CA ARG A 39 5.546 -8.310 -8.586 1.00 0.04 C ATOM 534 C ARG A 39 5.680 -9.781 -8.927 1.00 0.62 C ATOM 535 O ARG A 39 6.320 -10.130 -9.907 1.00 -0.50 O ATOM 536 CB ARG A 39 6.499 -7.362 -9.383 1.00 -0.08 C ATOM 537 CG ARG A 39 6.056 -5.869 -9.514 1.00 -0.10 C ATOM 538 CD ARG A 39 5.285 -5.508 -10.827 1.00 -0.23 C ATOM 539 NE ARG A 39 4.051 -6.274 -11.034 1.00 -0.32 N ATOM 540 CZ ARG A 39 3.348 -6.294 -12.144 1.00 0.76 C ATOM 541 NH1 ARG A 39 3.598 -5.503 -13.154 1.00 -0.62 N ATOM 542 NH2 ARG A 39 2.342 -7.133 -12.240 1.00 -0.62 N ATOM 0 H ARG A 39 6.425 -8.663 -6.712 1.00 -0.46 H new ATOM 0 HA ARG A 39 4.550 -8.006 -8.908 1.00 0.04 H new ATOM 0 HB2 ARG A 39 7.479 -7.385 -8.906 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 6.623 -7.769 -10.386 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 5.424 -5.620 -8.662 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 6.942 -5.238 -9.449 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 5.041 -4.446 -10.810 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 5.946 -5.670 -11.678 1.00 -0.23 H new ATOM 0 HE ARG A 39 3.711 -6.836 -10.254 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 4.366 -4.834 -13.100 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 3.025 -5.554 -13.996 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 2.119 -7.753 -11.461 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 1.784 -7.164 -13.093 1.00 -0.62 H new ATOM 556 N THR A 40 5.026 -10.643 -8.113 1.00 -0.46 N ATOM 557 CA THR A 40 4.950 -12.067 -8.428 1.00 0.04 C ATOM 558 C THR A 40 3.522 -12.545 -8.258 1.00 0.62 C ATOM 559 O THR A 40 3.308 -13.696 -7.915 1.00 -0.50 O ATOM 560 CB THR A 40 5.950 -12.799 -7.491 1.00 0.17 C ATOM 561 OG1 THR A 40 7.107 -11.956 -7.331 1.00 -0.55 O ATOM 562 CG2 THR A 40 6.397 -14.169 -8.066 1.00 -0.19 C ATOM 0 H THR A 40 4.555 -10.372 -7.250 1.00 -0.46 H new ATOM 0 HA THR A 40 5.224 -12.276 -9.462 1.00 0.04 H new ATOM 0 HB THR A 40 5.456 -12.990 -6.539 1.00 0.17 H new ATOM 0 HG1 THR A 40 7.754 -12.397 -6.741 1.00 -0.55 H new ATOM 0 HG21 THR A 40 7.095 -14.643 -7.376 1.00 -0.19 H new ATOM 0 HG22 THR A 40 5.525 -14.810 -8.197 1.00 -0.19 H new ATOM 0 HG23 THR A 40 6.885 -14.018 -9.029 1.00 -0.19 H new ATOM 570 N THR A 41 2.521 -11.660 -8.485 1.00 -0.46 N ATOM 571 CA THR A 41 1.118 -12.021 -8.268 1.00 0.04 C ATOM 572 C THR A 41 0.823 -12.487 -6.861 1.00 0.62 C ATOM 573 O THR A 41 0.207 -11.745 -6.111 1.00 -0.50 O ATOM 574 CB THR A 41 0.547 -12.931 -9.384 1.00 0.17 C ATOM 575 OG1 THR A 41 0.840 -12.259 -10.621 1.00 -0.55 O ATOM 576 CG2 THR A 41 -0.990 -13.151 -9.223 1.00 -0.19 C ATOM 0 H THR A 41 2.666 -10.705 -8.814 1.00 -0.46 H new ATOM 0 HA THR A 41 0.555 -11.092 -8.357 1.00 0.04 H new ATOM 0 HB THR A 41 0.995 -13.924 -9.344 1.00 0.17 H new ATOM 0 HG1 THR A 41 0.502 -12.792 -11.371 1.00 -0.55 H new ATOM 0 HG21 THR A 41 -1.351 -13.794 -10.025 1.00 -0.19 H new ATOM 0 HG22 THR A 41 -1.191 -13.622 -8.261 1.00 -0.19 H new ATOM 0 HG23 THR A 41 -1.502 -12.190 -9.270 1.00 -0.19 H new ATOM 584 N GLU A 42 1.250 -13.703 -6.469 1.00 -0.46 N ATOM 585 CA GLU A 42 0.948 -14.178 -5.122 1.00 0.04 C ATOM 586 C GLU A 42 1.403 -13.111 -4.146 1.00 0.62 C ATOM 587 O GLU A 42 0.633 -12.666 -3.308 1.00 -0.50 O ATOM 588 CB GLU A 42 1.621 -15.556 -4.830 1.00 -0.18 C ATOM 589 CG GLU A 42 0.701 -16.507 -4.015 1.00 -0.40 C ATOM 590 CD GLU A 42 0.323 -15.934 -2.676 1.00 0.71 C ATOM 591 OE1 GLU A 42 1.247 -15.547 -1.914 1.00 -0.72 O ATOM 592 OE2 GLU A 42 -0.900 -15.875 -2.374 1.00 -0.72 O ATOM 0 H GLU A 42 1.786 -14.348 -7.049 1.00 -0.46 H new ATOM 0 HA GLU A 42 -0.124 -14.345 -5.017 1.00 0.04 H new ATOM 0 HB2 GLU A 42 1.888 -16.034 -5.773 1.00 -0.18 H new ATOM 0 HB3 GLU A 42 2.549 -15.395 -4.281 1.00 -0.18 H new ATOM 0 HG2 GLU A 42 -0.204 -16.711 -4.588 1.00 -0.40 H new ATOM 0 HG3 GLU A 42 1.208 -17.461 -3.869 1.00 -0.40 H new ATOM 599 N ASP A 43 2.675 -12.671 -4.275 1.00 -0.46 N ATOM 600 CA ASP A 43 3.200 -11.688 -3.336 1.00 0.04 C ATOM 601 C ASP A 43 2.470 -10.366 -3.408 1.00 0.62 C ATOM 602 O ASP A 43 2.130 -9.780 -2.389 1.00 -0.50 O ATOM 603 CB ASP A 43 4.733 -11.502 -3.496 1.00 -0.40 C ATOM 604 CG ASP A 43 5.511 -12.778 -3.314 1.00 0.71 C ATOM 605 OD1 ASP A 43 4.900 -13.830 -2.991 1.00 -0.72 O ATOM 606 OD2 ASP A 43 6.755 -12.735 -3.500 1.00 -0.72 O ATOM 0 H ASP A 43 3.327 -12.975 -4.998 1.00 -0.46 H new ATOM 0 HA ASP A 43 3.019 -12.089 -2.339 1.00 0.04 H new ATOM 0 HB2 ASP A 43 4.941 -11.096 -4.486 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 5.080 -10.766 -2.770 1.00 -0.40 H new ATOM 611 N ARG A 44 2.209 -9.885 -4.639 1.00 -0.46 N ATOM 612 CA ARG A 44 1.441 -8.649 -4.802 1.00 0.04 C ATOM 613 C ARG A 44 0.130 -8.670 -4.053 1.00 0.62 C ATOM 614 O ARG A 44 -0.257 -7.665 -3.470 1.00 -0.50 O ATOM 615 CB ARG A 44 1.170 -8.412 -6.316 1.00 -0.08 C ATOM 616 CG ARG A 44 0.069 -7.359 -6.633 1.00 -0.10 C ATOM 617 CD ARG A 44 -0.107 -7.066 -8.157 1.00 -0.23 C ATOM 618 NE ARG A 44 -0.418 -8.258 -8.959 1.00 -0.32 N ATOM 619 CZ ARG A 44 -0.718 -8.290 -10.237 1.00 0.76 C ATOM 620 NH1 ARG A 44 -0.915 -7.213 -10.951 1.00 -0.62 N ATOM 621 NH2 ARG A 44 -0.832 -9.450 -10.836 1.00 -0.62 N ATOM 0 H ARG A 44 2.511 -10.323 -5.509 1.00 -0.46 H new ATOM 0 HA ARG A 44 2.036 -7.838 -4.382 1.00 0.04 H new ATOM 0 HB2 ARG A 44 2.099 -8.097 -6.791 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 0.885 -9.361 -6.771 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 -0.881 -7.708 -6.228 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 0.312 -6.428 -6.120 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 -0.904 -6.334 -8.287 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 0.808 -6.612 -8.538 1.00 -0.23 H new ATOM 0 HE ARG A 44 -0.399 -9.154 -8.472 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 -0.838 -6.293 -10.518 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 -1.146 -7.293 -11.941 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 -0.688 -10.312 -10.310 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 -1.065 -9.491 -11.828 1.00 -0.62 H new ATOM 635 N GLN A 45 -0.584 -9.811 -4.077 1.00 -0.46 N ATOM 636 CA GLN A 45 -1.889 -9.838 -3.428 1.00 0.04 C ATOM 637 C GLN A 45 -1.744 -9.533 -1.953 1.00 0.62 C ATOM 638 O GLN A 45 -2.571 -8.811 -1.414 1.00 -0.50 O ATOM 639 CB GLN A 45 -2.616 -11.183 -3.687 1.00 -0.10 C ATOM 640 CG GLN A 45 -2.967 -11.320 -5.193 1.00 -0.10 C ATOM 641 CD GLN A 45 -3.415 -12.703 -5.580 1.00 0.68 C ATOM 642 OE1 GLN A 45 -2.565 -13.576 -5.717 1.00 -0.47 O ATOM 643 NE2 GLN A 45 -4.719 -12.955 -5.785 1.00 -0.87 N ATOM 0 H GLN A 45 -0.290 -10.682 -4.518 1.00 -0.46 H new ATOM 0 HA GLN A 45 -2.516 -9.060 -3.864 1.00 0.04 H new ATOM 0 HB2 GLN A 45 -1.982 -12.013 -3.377 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 -3.525 -11.235 -3.088 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 -3.755 -10.609 -5.441 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 -2.095 -11.049 -5.788 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 -5.407 -12.212 -5.665 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 -5.021 -13.889 -6.061 1.00 -0.87 H new ATOM 652 N ILE A 46 -0.684 -10.052 -1.295 1.00 -0.46 N ATOM 653 CA ILE A 46 -0.507 -9.793 0.132 1.00 0.04 C ATOM 654 C ILE A 46 -0.328 -8.300 0.321 1.00 0.62 C ATOM 655 O ILE A 46 -1.009 -7.737 1.166 1.00 -0.50 O ATOM 656 CB ILE A 46 0.687 -10.563 0.774 1.00 -0.01 C ATOM 657 CG1 ILE A 46 0.673 -12.106 0.527 1.00 -0.05 C ATOM 658 CG2 ILE A 46 0.773 -10.254 2.294 1.00 -0.09 C ATOM 659 CD1 ILE A 46 -0.519 -12.880 1.151 1.00 -0.09 C ATOM 0 H ILE A 46 0.036 -10.634 -1.722 1.00 -0.46 H new ATOM 0 HA ILE A 46 -1.396 -10.159 0.645 1.00 0.04 H new ATOM 0 HB ILE A 46 1.580 -10.197 0.267 1.00 -0.01 H new ATOM 0 HG12 ILE A 46 0.673 -12.283 -0.549 1.00 -0.05 H new ATOM 0 HG13 ILE A 46 1.599 -12.526 0.919 1.00 -0.05 H new ATOM 0 HG21 ILE A 46 1.611 -10.798 2.729 1.00 -0.09 H new ATOM 0 HG22 ILE A 46 0.920 -9.184 2.440 1.00 -0.09 H new ATOM 0 HG23 ILE A 46 -0.152 -10.563 2.781 1.00 -0.09 H new ATOM 0 HD11 ILE A 46 -0.427 -13.941 0.917 1.00 -0.09 H new ATOM 0 HD12 ILE A 46 -0.514 -12.745 2.233 1.00 -0.09 H new ATOM 0 HD13 ILE A 46 -1.455 -12.498 0.742 1.00 -0.09 H new ATOM 671 N ALA A 47 0.578 -7.638 -0.438 1.00 -0.46 N ATOM 672 CA ALA A 47 0.802 -6.206 -0.224 1.00 0.04 C ATOM 673 C ALA A 47 -0.507 -5.442 -0.217 1.00 0.62 C ATOM 674 O ALA A 47 -0.873 -4.864 0.797 1.00 -0.50 O ATOM 675 CB ALA A 47 1.804 -5.594 -1.241 1.00 -0.10 C ATOM 0 H ALA A 47 1.142 -8.061 -1.175 1.00 -0.46 H new ATOM 0 HA ALA A 47 1.261 -6.108 0.760 1.00 0.04 H new ATOM 0 HB1 ALA A 47 1.930 -4.531 -1.033 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 2.766 -6.098 -1.152 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 1.420 -5.723 -2.253 1.00 -0.10 H new ATOM 681 N CYS A 48 -1.240 -5.439 -1.350 1.00 -0.46 N ATOM 682 CA CYS A 48 -2.500 -4.698 -1.395 1.00 0.04 C ATOM 683 C CYS A 48 -3.510 -5.202 -0.381 1.00 0.62 C ATOM 684 O CYS A 48 -4.178 -4.377 0.222 1.00 -0.50 O ATOM 685 CB CYS A 48 -3.154 -4.656 -2.806 1.00 -0.10 C ATOM 686 SG CYS A 48 -2.961 -6.183 -3.783 1.00 0.82 S ATOM 0 H CYS A 48 -0.987 -5.924 -2.211 1.00 -0.46 H new ATOM 0 HA CYS A 48 -2.218 -3.678 -1.134 1.00 0.04 H new ATOM 0 HB2 CYS A 48 -4.218 -4.446 -2.692 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 -2.723 -3.826 -3.366 1.00 -0.10 H new ATOM 691 N THR A 49 -3.670 -6.527 -0.170 1.00 -0.46 N ATOM 692 CA THR A 49 -4.724 -6.994 0.741 1.00 0.04 C ATOM 693 C THR A 49 -4.407 -6.559 2.159 1.00 0.62 C ATOM 694 O THR A 49 -5.265 -6.076 2.883 1.00 -0.50 O ATOM 695 CB THR A 49 -4.902 -8.540 0.760 1.00 0.17 C ATOM 696 OG1 THR A 49 -5.135 -9.079 -0.553 1.00 -0.55 O ATOM 697 CG2 THR A 49 -6.135 -8.963 1.602 1.00 -0.19 C ATOM 0 H THR A 49 -3.107 -7.261 -0.600 1.00 -0.46 H new ATOM 0 HA THR A 49 -5.648 -6.552 0.369 1.00 0.04 H new ATOM 0 HB THR A 49 -3.972 -8.922 1.182 1.00 0.17 H new ATOM 0 HG1 THR A 49 -4.298 -9.074 -1.062 1.00 -0.55 H new ATOM 0 HG21 THR A 49 -6.227 -10.049 1.592 1.00 -0.19 H new ATOM 0 HG22 THR A 49 -6.010 -8.619 2.629 1.00 -0.19 H new ATOM 0 HG23 THR A 49 -7.035 -8.519 1.178 1.00 -0.19 H new ATOM 705 N CYS A 50 -3.147 -6.739 2.600 1.00 -0.46 N ATOM 706 CA CYS A 50 -2.795 -6.333 3.956 1.00 0.04 C ATOM 707 C CYS A 50 -3.007 -4.848 4.136 1.00 0.62 C ATOM 708 O CYS A 50 -3.542 -4.432 5.152 1.00 -0.50 O ATOM 709 CB CYS A 50 -1.328 -6.687 4.260 1.00 -0.10 C ATOM 710 SG CYS A 50 -1.174 -8.499 4.292 1.00 0.82 S ATOM 0 H CYS A 50 -2.388 -7.148 2.054 1.00 -0.46 H new ATOM 0 HA CYS A 50 -3.442 -6.870 4.650 1.00 0.04 H new ATOM 0 HB2 CYS A 50 -0.670 -6.263 3.501 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 -1.025 -6.263 5.217 1.00 -0.10 H new ATOM 715 N LEU A 51 -2.592 -4.027 3.150 1.00 -0.46 N ATOM 716 CA LEU A 51 -2.775 -2.583 3.295 1.00 0.04 C ATOM 717 C LEU A 51 -4.241 -2.236 3.243 1.00 0.62 C ATOM 718 O LEU A 51 -4.691 -1.432 4.041 1.00 -0.50 O ATOM 719 CB LEU A 51 -2.036 -1.791 2.190 1.00 -0.06 C ATOM 720 CG LEU A 51 -0.504 -1.931 2.376 1.00 -0.01 C ATOM 721 CD1 LEU A 51 0.329 -1.613 1.099 1.00 -0.11 C ATOM 722 CD2 LEU A 51 -0.059 -1.179 3.663 1.00 -0.11 C ATOM 0 H LEU A 51 -2.147 -4.329 2.283 1.00 -0.46 H new ATOM 0 HA LEU A 51 -2.354 -2.304 4.261 1.00 0.04 H new ATOM 0 HB2 LEU A 51 -2.327 -2.162 1.208 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 -2.322 -0.740 2.231 1.00 -0.06 H new ATOM 0 HG LEU A 51 -0.277 -2.986 2.529 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 1.390 -1.735 1.317 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 0.042 -2.295 0.298 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 0.139 -0.586 0.787 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 1.019 -1.280 3.789 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 -0.316 -0.123 3.575 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 -0.567 -1.605 4.528 1.00 -0.11 H new ATOM 734 N LYS A 52 -4.997 -2.844 2.308 1.00 -0.46 N ATOM 735 CA LYS A 52 -6.443 -2.628 2.267 1.00 0.04 C ATOM 736 C LYS A 52 -7.003 -2.755 3.672 1.00 0.62 C ATOM 737 O LYS A 52 -7.696 -1.860 4.132 1.00 -0.50 O ATOM 738 CB LYS A 52 -7.058 -3.689 1.307 1.00 -0.10 C ATOM 739 CG LYS A 52 -8.604 -3.798 1.295 1.00 -0.16 C ATOM 740 CD LYS A 52 -9.060 -5.160 0.711 1.00 -0.18 C ATOM 741 CE LYS A 52 -10.606 -5.286 0.651 1.00 -0.04 C ATOM 742 NZ LYS A 52 -11.255 -4.277 -0.222 1.00 -0.14 N ATOM 0 H LYS A 52 -4.635 -3.472 1.591 1.00 -0.46 H new ATOM 0 HA LYS A 52 -6.688 -1.632 1.899 1.00 0.04 H new ATOM 0 HB2 LYS A 52 -6.724 -3.466 0.294 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 -6.649 -4.665 1.570 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 -8.988 -3.686 2.309 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 -9.025 -2.985 0.703 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 -8.649 -5.279 -0.291 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 -8.655 -5.968 1.320 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 -10.867 -6.283 0.295 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 -11.008 -5.193 1.660 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 -12.050 -4.716 -0.729 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 -11.608 -3.490 0.360 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 -10.563 -3.916 -0.910 1.00 -0.14 H new ATOM 756 N SER A 53 -6.695 -3.868 4.377 1.00 -0.46 N ATOM 757 CA SER A 53 -7.190 -4.043 5.745 1.00 0.04 C ATOM 758 C SER A 53 -6.565 -3.027 6.682 1.00 0.62 C ATOM 759 O SER A 53 -7.284 -2.474 7.504 1.00 -0.50 O ATOM 760 CB SER A 53 -7.030 -5.487 6.310 1.00 0.02 C ATOM 761 OG SER A 53 -5.736 -6.076 6.092 1.00 -0.55 O ATOM 0 H SER A 53 -6.121 -4.635 4.026 1.00 -0.46 H new ATOM 0 HA SER A 53 -8.265 -3.870 5.686 1.00 0.04 H new ATOM 0 HB2 SER A 53 -7.230 -5.468 7.381 1.00 0.02 H new ATOM 0 HB3 SER A 53 -7.787 -6.127 5.856 1.00 0.02 H new ATOM 0 HG SER A 53 -5.113 -5.389 5.776 1.00 -0.55 H new ATOM 767 N ALA A 54 -5.246 -2.747 6.598 1.00 -0.46 N ATOM 768 CA ALA A 54 -4.656 -1.757 7.509 1.00 0.04 C ATOM 769 C ALA A 54 -5.366 -0.426 7.336 1.00 0.62 C ATOM 770 O ALA A 54 -5.863 0.132 8.303 1.00 -0.50 O ATOM 771 CB ALA A 54 -3.113 -1.581 7.363 1.00 -0.10 C ATOM 0 H ALA A 54 -4.598 -3.175 5.937 1.00 -0.46 H new ATOM 0 HA ALA A 54 -4.802 -2.142 8.518 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -2.763 -0.832 8.073 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -2.618 -2.531 7.564 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -2.878 -1.257 6.349 1.00 -0.10 H new ATOM 777 N ALA A 55 -5.444 0.097 6.094 1.00 -0.46 N ATOM 778 CA ALA A 55 -6.195 1.330 5.860 1.00 0.04 C ATOM 779 C ALA A 55 -7.595 1.199 6.423 1.00 0.62 C ATOM 780 O ALA A 55 -8.029 2.084 7.145 1.00 -0.50 O ATOM 781 CB ALA A 55 -6.280 1.696 4.353 1.00 -0.10 C ATOM 0 H ALA A 55 -5.007 -0.307 5.266 1.00 -0.46 H new ATOM 0 HA ALA A 55 -5.657 2.131 6.367 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -6.848 2.619 4.234 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -5.275 1.834 3.955 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 -6.777 0.892 3.811 1.00 -0.10 H new ATOM 787 N GLY A 56 -8.319 0.102 6.113 1.00 -0.46 N ATOM 788 CA GLY A 56 -9.669 -0.046 6.652 1.00 0.04 C ATOM 789 C GLY A 56 -9.701 0.067 8.163 1.00 0.62 C ATOM 790 O GLY A 56 -10.670 0.583 8.699 1.00 -0.50 O ATOM 0 H GLY A 56 -8.000 -0.661 5.516 1.00 -0.46 H new ATOM 0 HA2 GLY A 56 -10.316 0.717 6.219 1.00 0.04 H new ATOM 0 HA3 GLY A 56 -10.073 -1.013 6.354 1.00 0.04 H new ATOM 794 N ALA A 57 -8.660 -0.419 8.877 1.00 -0.46 N ATOM 795 CA ALA A 57 -8.629 -0.271 10.336 1.00 0.04 C ATOM 796 C ALA A 57 -8.448 1.169 10.785 1.00 0.62 C ATOM 797 O ALA A 57 -8.964 1.527 11.834 1.00 -0.50 O ATOM 798 CB ALA A 57 -7.481 -1.113 10.955 1.00 -0.10 C ATOM 0 H ALA A 57 -7.857 -0.902 8.475 1.00 -0.46 H new ATOM 0 HA ALA A 57 -9.600 -0.624 10.684 1.00 0.04 H new ATOM 0 HB1 ALA A 57 -7.480 -0.986 12.038 1.00 -0.10 H new ATOM 0 HB2 ALA A 57 -7.630 -2.165 10.713 1.00 -0.10 H new ATOM 0 HB3 ALA A 57 -6.526 -0.780 10.549 1.00 -0.10 H new ATOM 804 N ILE A 58 -7.714 2.018 10.033 1.00 -0.46 N ATOM 805 CA ILE A 58 -7.463 3.390 10.497 1.00 0.04 C ATOM 806 C ILE A 58 -8.778 4.159 10.488 1.00 0.62 C ATOM 807 O ILE A 58 -9.485 4.095 9.494 1.00 -0.50 O ATOM 808 CB ILE A 58 -6.418 4.132 9.606 1.00 -0.01 C ATOM 809 CG1 ILE A 58 -5.024 3.452 9.485 1.00 -0.05 C ATOM 810 CG2 ILE A 58 -6.276 5.653 9.921 1.00 -0.09 C ATOM 811 CD1 ILE A 58 -4.205 4.087 8.322 1.00 -0.09 C ATOM 0 H ILE A 58 -7.299 1.784 9.131 1.00 -0.46 H new ATOM 0 HA ILE A 58 -7.051 3.337 11.505 1.00 0.04 H new ATOM 0 HB ILE A 58 -6.870 4.043 8.618 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -4.478 3.559 10.422 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -5.148 2.384 9.309 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -5.531 6.094 9.259 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -7.235 6.147 9.768 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -5.962 5.782 10.957 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -3.233 3.599 8.253 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -4.744 3.957 7.384 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -4.064 5.150 8.515 1.00 -0.09 H new ATOM 823 N SER A 59 -9.142 4.896 11.566 1.00 -0.46 N ATOM 824 CA SER A 59 -10.429 5.601 11.594 1.00 0.04 C ATOM 825 C SER A 59 -10.470 6.802 10.673 1.00 0.62 C ATOM 826 O SER A 59 -11.379 6.899 9.863 1.00 -0.50 O ATOM 827 CB SER A 59 -10.766 6.065 13.037 1.00 0.02 C ATOM 828 OG SER A 59 -10.501 5.013 13.978 1.00 -0.55 O ATOM 0 H SER A 59 -8.572 5.011 12.404 1.00 -0.46 H new ATOM 0 HA SER A 59 -11.170 4.884 11.240 1.00 0.04 H new ATOM 0 HB2 SER A 59 -10.174 6.945 13.290 1.00 0.02 H new ATOM 0 HB3 SER A 59 -11.814 6.358 13.096 1.00 0.02 H new ATOM 0 HG SER A 59 -10.717 5.321 14.883 1.00 -0.55 H new ATOM 834 N GLY A 60 -9.496 7.740 10.756 1.00 -0.46 N ATOM 835 CA GLY A 60 -9.508 8.903 9.864 1.00 0.04 C ATOM 836 C GLY A 60 -8.805 8.609 8.558 1.00 0.62 C ATOM 837 O GLY A 60 -8.082 9.458 8.058 1.00 -0.50 O ATOM 0 H GLY A 60 -8.717 7.710 11.414 1.00 -0.46 H new ATOM 0 HA2 GLY A 60 -10.538 9.199 9.665 1.00 0.04 H new ATOM 0 HA3 GLY A 60 -9.024 9.746 10.357 1.00 0.04 H new ATOM 841 N ILE A 61 -9.011 7.409 7.976 1.00 -0.46 N ATOM 842 CA ILE A 61 -8.352 7.075 6.719 1.00 0.04 C ATOM 843 C ILE A 61 -8.933 7.918 5.619 1.00 0.62 C ATOM 844 O ILE A 61 -10.143 8.086 5.613 1.00 -0.50 O ATOM 845 CB ILE A 61 -8.457 5.560 6.375 1.00 -0.01 C ATOM 846 CG1 ILE A 61 -7.478 5.130 5.250 1.00 -0.05 C ATOM 847 CG2 ILE A 61 -9.886 4.991 6.157 1.00 -0.09 C ATOM 848 CD1 ILE A 61 -8.075 5.192 3.825 1.00 -0.09 C ATOM 0 H ILE A 61 -9.615 6.679 8.353 1.00 -0.46 H new ATOM 0 HA ILE A 61 -7.289 7.290 6.826 1.00 0.04 H new ATOM 0 HB ILE A 61 -8.138 5.085 7.303 1.00 -0.01 H new ATOM 0 HG12 ILE A 61 -6.596 5.769 5.289 1.00 -0.05 H new ATOM 0 HG13 ILE A 61 -7.143 4.112 5.446 1.00 -0.05 H new ATOM 0 HG21 ILE A 61 -9.823 3.928 5.924 1.00 -0.09 H new ATOM 0 HG22 ILE A 61 -10.475 5.130 7.064 1.00 -0.09 H new ATOM 0 HG23 ILE A 61 -10.364 5.516 5.330 1.00 -0.09 H new ATOM 0 HD11 ILE A 61 -7.324 4.875 3.102 1.00 -0.09 H new ATOM 0 HD12 ILE A 61 -8.939 4.531 3.764 1.00 -0.09 H new ATOM 0 HD13 ILE A 61 -8.383 6.214 3.604 1.00 -0.09 H new ATOM 860 N ASN A 62 -8.104 8.457 4.695 1.00 -0.46 N ATOM 861 CA ASN A 62 -8.642 9.294 3.628 1.00 0.04 C ATOM 862 C ASN A 62 -8.518 8.571 2.299 1.00 0.62 C ATOM 863 O ASN A 62 -7.437 8.110 1.966 1.00 -0.50 O ATOM 864 CB ASN A 62 -7.910 10.651 3.673 1.00 -0.09 C ATOM 865 CG ASN A 62 -8.477 11.597 2.645 1.00 0.68 C ATOM 866 OD1 ASN A 62 -8.526 11.240 1.474 1.00 -0.47 O ATOM 867 ND2 ASN A 62 -8.918 12.809 3.026 1.00 -0.87 N ATOM 0 H ASN A 62 -7.093 8.326 4.675 1.00 -0.46 H new ATOM 0 HA ASN A 62 -9.706 9.490 3.760 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -8.004 11.088 4.667 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -6.846 10.502 3.490 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -9.303 13.452 2.334 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -8.867 13.085 4.007 1.00 -0.87 H new ATOM 874 N LEU A 63 -9.632 8.447 1.540 1.00 -0.46 N ATOM 875 CA LEU A 63 -9.629 7.634 0.320 1.00 0.04 C ATOM 876 C LEU A 63 -8.663 8.235 -0.679 1.00 0.62 C ATOM 877 O LEU A 63 -7.830 7.527 -1.228 1.00 -0.50 O ATOM 878 CB LEU A 63 -11.098 7.530 -0.198 1.00 -0.06 C ATOM 879 CG LEU A 63 -11.387 6.450 -1.283 1.00 -0.01 C ATOM 880 CD1 LEU A 63 -12.916 6.164 -1.331 1.00 -0.11 C ATOM 881 CD2 LEU A 63 -10.912 6.876 -2.698 1.00 -0.11 C ATOM 0 H LEU A 63 -10.524 8.894 1.752 1.00 -0.46 H new ATOM 0 HA LEU A 63 -9.279 6.618 0.503 1.00 0.04 H new ATOM 0 HB2 LEU A 63 -11.746 7.335 0.656 1.00 -0.06 H new ATOM 0 HB3 LEU A 63 -11.385 8.501 -0.601 1.00 -0.06 H new ATOM 0 HG LEU A 63 -10.828 5.557 -1.003 1.00 -0.01 H new ATOM 0 HD11 LEU A 63 -13.121 5.409 -2.089 1.00 -0.11 H new ATOM 0 HD12 LEU A 63 -13.249 5.802 -0.358 1.00 -0.11 H new ATOM 0 HD13 LEU A 63 -13.450 7.081 -1.579 1.00 -0.11 H new ATOM 0 HD21 LEU A 63 -11.140 6.084 -3.412 1.00 -0.11 H new ATOM 0 HD22 LEU A 63 -11.426 7.791 -2.994 1.00 -0.11 H new ATOM 0 HD23 LEU A 63 -9.837 7.053 -2.683 1.00 -0.11 H new ATOM 893 N GLY A 64 -8.746 9.561 -0.925 1.00 -0.46 N ATOM 894 CA GLY A 64 -7.850 10.177 -1.902 1.00 0.04 C ATOM 895 C GLY A 64 -6.393 9.992 -1.537 1.00 0.62 C ATOM 896 O GLY A 64 -5.576 9.763 -2.417 1.00 -0.50 O ATOM 0 H GLY A 64 -9.403 10.198 -0.474 1.00 -0.46 H new ATOM 0 HA2 GLY A 64 -8.034 9.744 -2.885 1.00 0.04 H new ATOM 0 HA3 GLY A 64 -8.072 11.242 -1.976 1.00 0.04 H new ATOM 900 N LYS A 65 -6.040 10.104 -0.238 1.00 -0.46 N ATOM 901 CA LYS A 65 -4.637 9.954 0.156 1.00 0.04 C ATOM 902 C LYS A 65 -4.201 8.525 -0.089 1.00 0.62 C ATOM 903 O LYS A 65 -3.103 8.299 -0.574 1.00 -0.50 O ATOM 904 CB LYS A 65 -4.408 10.358 1.638 1.00 -0.10 C ATOM 905 CG LYS A 65 -4.859 11.811 1.994 1.00 -0.16 C ATOM 906 CD LYS A 65 -4.238 12.960 1.153 1.00 -0.18 C ATOM 907 CE LYS A 65 -2.747 13.204 1.495 1.00 -0.04 C ATOM 908 NZ LYS A 65 -2.532 13.933 2.773 1.00 -0.14 N ATOM 0 H LYS A 65 -6.688 10.291 0.527 1.00 -0.46 H new ATOM 0 HA LYS A 65 -4.032 10.628 -0.451 1.00 0.04 H new ATOM 0 HB2 LYS A 65 -4.944 9.658 2.279 1.00 -0.10 H new ATOM 0 HB3 LYS A 65 -3.348 10.254 1.870 1.00 -0.10 H new ATOM 0 HG2 LYS A 65 -5.943 11.865 1.895 1.00 -0.16 H new ATOM 0 HG3 LYS A 65 -4.625 11.992 3.043 1.00 -0.16 H new ATOM 0 HD2 LYS A 65 -4.330 12.722 0.093 1.00 -0.18 H new ATOM 0 HD3 LYS A 65 -4.802 13.877 1.324 1.00 -0.18 H new ATOM 0 HE2 LYS A 65 -2.234 12.243 1.546 1.00 -0.04 H new ATOM 0 HE3 LYS A 65 -2.286 13.769 0.684 1.00 -0.04 H new ATOM 0 HZ1 LYS A 65 -1.950 14.777 2.598 1.00 -0.14 H new ATOM 0 HZ2 LYS A 65 -3.450 14.222 3.167 1.00 -0.14 H new ATOM 0 HZ3 LYS A 65 -2.046 13.311 3.450 1.00 -0.14 H new ATOM 922 N ALA A 66 -5.062 7.532 0.209 1.00 -0.46 N ATOM 923 CA ALA A 66 -4.722 6.155 -0.142 1.00 0.04 C ATOM 924 C ALA A 66 -4.414 5.995 -1.614 1.00 0.62 C ATOM 925 O ALA A 66 -3.331 5.539 -1.959 1.00 -0.50 O ATOM 926 CB ALA A 66 -5.845 5.226 0.371 1.00 -0.10 C ATOM 0 H ALA A 66 -5.962 7.656 0.674 1.00 -0.46 H new ATOM 0 HA ALA A 66 -3.794 5.866 0.351 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -5.607 4.193 0.117 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -5.931 5.323 1.453 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -6.790 5.506 -0.095 1.00 -0.10 H new ATOM 932 N ALA A 67 -5.333 6.392 -2.514 1.00 -0.46 N ATOM 933 CA ALA A 67 -4.997 6.341 -3.937 1.00 0.04 C ATOM 934 C ALA A 67 -3.883 7.308 -4.307 1.00 0.62 C ATOM 935 O ALA A 67 -3.300 7.140 -5.367 1.00 -0.50 O ATOM 936 CB ALA A 67 -6.262 6.573 -4.796 1.00 -0.10 C ATOM 0 H ALA A 67 -6.268 6.735 -2.292 1.00 -0.46 H new ATOM 0 HA ALA A 67 -4.614 5.343 -4.149 1.00 0.04 H new ATOM 0 HB1 ALA A 67 -5.997 6.532 -5.852 1.00 -0.10 H new ATOM 0 HB2 ALA A 67 -6.998 5.799 -4.576 1.00 -0.10 H new ATOM 0 HB3 ALA A 67 -6.684 7.551 -4.565 1.00 -0.10 H new ATOM 942 N GLY A 68 -3.541 8.318 -3.474 1.00 -0.46 N ATOM 943 CA GLY A 68 -2.401 9.187 -3.778 1.00 0.04 C ATOM 944 C GLY A 68 -1.059 8.498 -3.653 1.00 0.62 C ATOM 945 O GLY A 68 -0.117 8.931 -4.298 1.00 -0.50 O ATOM 0 H GLY A 68 -4.031 8.541 -2.608 1.00 -0.46 H new ATOM 0 HA2 GLY A 68 -2.509 9.571 -4.792 1.00 0.04 H new ATOM 0 HA3 GLY A 68 -2.422 10.046 -3.108 1.00 0.04 H new ATOM 949 N LEU A 69 -0.913 7.438 -2.828 1.00 -0.46 N ATOM 950 CA LEU A 69 0.393 6.789 -2.680 1.00 0.04 C ATOM 951 C LEU A 69 1.083 6.458 -3.999 1.00 0.62 C ATOM 952 O LEU A 69 2.201 6.929 -4.158 1.00 -0.50 O ATOM 953 CB LEU A 69 0.312 5.494 -1.830 1.00 -0.06 C ATOM 954 CG LEU A 69 -0.074 5.662 -0.332 1.00 -0.01 C ATOM 955 CD1 LEU A 69 -0.299 4.243 0.270 1.00 -0.11 C ATOM 956 CD2 LEU A 69 1.025 6.412 0.466 1.00 -0.11 C ATOM 0 H LEU A 69 -1.664 7.028 -2.272 1.00 -0.46 H new ATOM 0 HA LEU A 69 0.996 7.538 -2.166 1.00 0.04 H new ATOM 0 HB2 LEU A 69 -0.414 4.827 -2.295 1.00 -0.06 H new ATOM 0 HB3 LEU A 69 1.280 4.995 -1.878 1.00 -0.06 H new ATOM 0 HG LEU A 69 -0.982 6.261 -0.263 1.00 -0.01 H new ATOM 0 HD11 LEU A 69 -0.571 4.333 1.322 1.00 -0.11 H new ATOM 0 HD12 LEU A 69 -1.101 3.741 -0.271 1.00 -0.11 H new ATOM 0 HD13 LEU A 69 0.618 3.660 0.181 1.00 -0.11 H new ATOM 0 HD21 LEU A 69 0.717 6.509 1.507 1.00 -0.11 H new ATOM 0 HD22 LEU A 69 1.959 5.852 0.414 1.00 -0.11 H new ATOM 0 HD23 LEU A 69 1.173 7.403 0.038 1.00 -0.11 H new ATOM 968 N PRO A 70 0.529 5.687 -4.973 1.00 -0.23 N ATOM 969 CA PRO A 70 1.252 5.466 -6.221 1.00 0.04 C ATOM 970 C PRO A 70 1.583 6.745 -6.946 1.00 0.53 C ATOM 971 O PRO A 70 2.494 6.720 -7.756 1.00 -0.50 O ATOM 972 CB PRO A 70 0.213 4.677 -7.055 1.00 -0.12 C ATOM 973 CG PRO A 70 -1.134 4.957 -6.358 1.00 -0.12 C ATOM 974 CD PRO A 70 -0.775 5.052 -4.861 1.00 -0.01 C ATOM 0 HA PRO A 70 2.208 4.970 -6.055 1.00 0.04 H new ATOM 0 HB2 PRO A 70 0.200 5.011 -8.092 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 0.440 3.611 -7.066 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -1.584 5.882 -6.719 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -1.852 4.159 -6.545 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -1.487 5.653 -4.296 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -0.727 4.076 -4.378 1.00 -0.01 H new ATOM 982 N SER A 71 0.860 7.857 -6.693 1.00 -0.46 N ATOM 983 CA SER A 71 1.155 9.102 -7.394 1.00 0.04 C ATOM 984 C SER A 71 2.285 9.829 -6.690 1.00 0.62 C ATOM 985 O SER A 71 3.274 10.169 -7.324 1.00 -0.50 O ATOM 986 CB SER A 71 -0.142 9.953 -7.474 1.00 0.02 C ATOM 987 OG SER A 71 -0.013 11.071 -8.372 1.00 -0.55 O ATOM 0 H SER A 71 0.090 7.909 -6.026 1.00 -0.46 H new ATOM 0 HA SER A 71 1.488 8.904 -8.413 1.00 0.04 H new ATOM 0 HB2 SER A 71 -0.968 9.321 -7.802 1.00 0.02 H new ATOM 0 HB3 SER A 71 -0.395 10.318 -6.479 1.00 0.02 H new ATOM 0 HG SER A 71 -0.853 11.575 -8.390 1.00 -0.55 H new ATOM 993 N THR A 72 2.165 10.070 -5.365 1.00 -0.46 N ATOM 994 CA THR A 72 3.200 10.816 -4.650 1.00 0.04 C ATOM 995 C THR A 72 4.480 10.017 -4.580 1.00 0.62 C ATOM 996 O THR A 72 5.543 10.555 -4.852 1.00 -0.50 O ATOM 997 CB THR A 72 2.699 11.184 -3.227 1.00 0.17 C ATOM 998 OG1 THR A 72 1.353 11.673 -3.305 1.00 -0.55 O ATOM 999 CG2 THR A 72 3.615 12.216 -2.512 1.00 -0.19 C ATOM 0 H THR A 72 1.380 9.764 -4.790 1.00 -0.46 H new ATOM 0 HA THR A 72 3.410 11.737 -5.194 1.00 0.04 H new ATOM 0 HB THR A 72 2.730 10.277 -2.624 1.00 0.17 H new ATOM 0 HG1 THR A 72 0.917 11.572 -2.433 1.00 -0.55 H new ATOM 0 HG21 THR A 72 3.214 12.434 -1.522 1.00 -0.19 H new ATOM 0 HG22 THR A 72 4.620 11.804 -2.414 1.00 -0.19 H new ATOM 0 HG23 THR A 72 3.655 13.134 -3.098 1.00 -0.19 H new ATOM 1007 N CYS A 73 4.408 8.716 -4.213 1.00 -0.46 N ATOM 1008 CA CYS A 73 5.583 7.854 -4.318 1.00 0.04 C ATOM 1009 C CYS A 73 5.554 7.213 -5.686 1.00 0.62 C ATOM 1010 O CYS A 73 5.420 6.007 -5.764 1.00 -0.50 O ATOM 1011 CB CYS A 73 5.606 6.816 -3.167 1.00 -0.10 C ATOM 1012 SG CYS A 73 5.889 7.672 -1.583 1.00 0.82 S ATOM 0 H CYS A 73 3.569 8.261 -3.853 1.00 -0.46 H new ATOM 0 HA CYS A 73 6.504 8.428 -4.214 1.00 0.04 H new ATOM 0 HB2 CYS A 73 4.662 6.272 -3.135 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 6.392 6.081 -3.341 1.00 -0.10 H new ATOM 1017 N GLY A 74 5.682 8.014 -6.767 1.00 -0.46 N ATOM 1018 CA GLY A 74 5.653 7.470 -8.127 1.00 0.04 C ATOM 1019 C GLY A 74 6.311 6.115 -8.276 1.00 0.62 C ATOM 1020 O GLY A 74 7.530 6.078 -8.334 1.00 -0.50 O ATOM 0 H GLY A 74 5.805 9.025 -6.718 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 4.615 7.393 -8.452 1.00 0.04 H new ATOM 0 HA3 GLY A 74 6.146 8.175 -8.797 1.00 0.04 H new ATOM 1024 N VAL A 75 5.539 5.003 -8.342 1.00 -0.46 N ATOM 1025 CA VAL A 75 6.138 3.684 -8.556 1.00 0.04 C ATOM 1026 C VAL A 75 5.266 2.859 -9.483 1.00 0.62 C ATOM 1027 O VAL A 75 4.080 3.133 -9.579 1.00 -0.50 O ATOM 1028 CB VAL A 75 6.363 2.906 -7.227 1.00 -0.01 C ATOM 1029 CG1 VAL A 75 7.543 3.472 -6.392 1.00 -0.09 C ATOM 1030 CG2 VAL A 75 5.068 2.830 -6.380 1.00 -0.09 C ATOM 0 H VAL A 75 4.523 5.001 -8.251 1.00 -0.46 H new ATOM 0 HA VAL A 75 7.115 3.851 -9.009 1.00 0.04 H new ATOM 0 HB VAL A 75 6.637 1.891 -7.514 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 7.653 2.890 -5.477 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 8.463 3.410 -6.974 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 7.343 4.513 -6.139 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 5.266 2.279 -5.461 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 4.734 3.838 -6.134 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 4.291 2.319 -6.948 1.00 -0.09 H new ATOM 1040 N ASN A 76 5.826 1.837 -10.174 1.00 -0.46 N ATOM 1041 CA ASN A 76 5.026 1.020 -11.092 1.00 0.04 C ATOM 1042 C ASN A 76 4.249 -0.032 -10.327 1.00 0.62 C ATOM 1043 O ASN A 76 4.467 -1.209 -10.572 1.00 -0.50 O ATOM 1044 CB ASN A 76 5.943 0.387 -12.180 1.00 -0.09 C ATOM 1045 CG ASN A 76 7.028 -0.455 -11.552 1.00 0.68 C ATOM 1046 OD1 ASN A 76 7.843 0.105 -10.826 1.00 -0.47 O ATOM 1047 ND2 ASN A 76 7.098 -1.779 -11.779 1.00 -0.87 N ATOM 0 H ASN A 76 6.808 1.570 -10.110 1.00 -0.46 H new ATOM 0 HA ASN A 76 4.299 1.656 -11.598 1.00 0.04 H new ATOM 0 HB2 ASN A 76 5.344 -0.228 -12.852 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 6.393 1.175 -12.784 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 7.837 -2.333 -11.345 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 6.412 -2.229 -12.385 1.00 -0.87 H new ATOM 1054 N ILE A 77 3.330 0.363 -9.407 1.00 -0.46 N ATOM 1055 CA ILE A 77 2.521 -0.625 -8.684 1.00 0.04 C ATOM 1056 C ILE A 77 1.270 -0.886 -9.493 1.00 0.62 C ATOM 1057 O ILE A 77 0.527 0.066 -9.683 1.00 -0.50 O ATOM 1058 CB ILE A 77 2.185 -0.326 -7.179 1.00 -0.01 C ATOM 1059 CG1 ILE A 77 1.515 1.065 -6.927 1.00 -0.05 C ATOM 1060 CG2 ILE A 77 3.497 -0.537 -6.372 1.00 -0.09 C ATOM 1061 CD1 ILE A 77 1.131 1.407 -5.450 1.00 -0.09 C ATOM 0 H ILE A 77 3.142 1.335 -9.160 1.00 -0.46 H new ATOM 0 HA ILE A 77 3.149 -1.511 -8.595 1.00 0.04 H new ATOM 0 HB ILE A 77 1.413 -1.016 -6.838 1.00 -0.01 H new ATOM 0 HG12 ILE A 77 2.192 1.839 -7.290 1.00 -0.05 H new ATOM 0 HG13 ILE A 77 0.612 1.122 -7.534 1.00 -0.05 H new ATOM 0 HG21 ILE A 77 3.311 -0.340 -5.316 1.00 -0.09 H new ATOM 0 HG22 ILE A 77 3.838 -1.565 -6.494 1.00 -0.09 H new ATOM 0 HG23 ILE A 77 4.264 0.145 -6.739 1.00 -0.09 H new ATOM 0 HD11 ILE A 77 0.676 2.397 -5.412 1.00 -0.09 H new ATOM 0 HD12 ILE A 77 0.422 0.667 -5.078 1.00 -0.09 H new ATOM 0 HD13 ILE A 77 2.027 1.395 -4.829 1.00 -0.09 H new ATOM 1073 N PRO A 78 0.952 -2.107 -9.990 1.00 -0.23 N ATOM 1074 CA PRO A 78 -0.313 -2.295 -10.698 1.00 0.04 C ATOM 1075 C PRO A 78 -1.456 -2.500 -9.722 1.00 0.53 C ATOM 1076 O PRO A 78 -2.175 -3.481 -9.832 1.00 -0.50 O ATOM 1077 CB PRO A 78 0.052 -3.564 -11.503 1.00 -0.12 C ATOM 1078 CG PRO A 78 0.921 -4.329 -10.488 1.00 -0.12 C ATOM 1079 CD PRO A 78 1.842 -3.258 -9.884 1.00 -0.01 C ATOM 0 HA PRO A 78 -0.663 -1.463 -11.309 1.00 0.04 H new ATOM 0 HB2 PRO A 78 -0.831 -4.131 -11.798 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 0.599 -3.328 -12.416 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 0.310 -4.805 -9.721 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 1.495 -5.118 -10.973 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 2.125 -3.478 -8.855 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 2.766 -3.130 -10.448 1.00 -0.01 H new ATOM 1087 N TYR A 79 -1.649 -1.573 -8.757 1.00 -0.46 N ATOM 1088 CA TYR A 79 -2.772 -1.665 -7.823 1.00 0.04 C ATOM 1089 C TYR A 79 -2.825 -0.392 -7.008 1.00 0.62 C ATOM 1090 O TYR A 79 -1.775 0.019 -6.542 1.00 -0.50 O ATOM 1091 CB TYR A 79 -2.691 -2.860 -6.834 1.00 -0.10 C ATOM 1092 CG TYR A 79 -1.348 -2.904 -6.086 1.00 -0.03 C ATOM 1093 CD1 TYR A 79 -0.264 -3.580 -6.669 1.00 0.00 C ATOM 1094 CD2 TYR A 79 -1.165 -2.311 -4.838 1.00 0.00 C ATOM 1095 CE1 TYR A 79 0.942 -3.732 -5.999 1.00 -0.26 C ATOM 1096 CE2 TYR A 79 0.035 -2.503 -4.132 1.00 -0.26 C ATOM 1097 CZ TYR A 79 1.096 -3.192 -4.712 1.00 0.46 C ATOM 1098 OH TYR A 79 2.306 -3.357 -4.043 1.00 -0.53 O ATOM 0 H TYR A 79 -1.044 -0.765 -8.613 1.00 -0.46 H new ATOM 0 HA TYR A 79 -3.662 -1.818 -8.433 1.00 0.04 H new ATOM 0 HB2 TYR A 79 -3.505 -2.788 -6.112 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 -2.831 -3.792 -7.381 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 -0.371 -3.991 -7.662 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.948 -1.702 -4.412 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.758 -4.263 -6.466 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 0.135 -2.112 -3.130 1.00 -0.26 H new ATOM 0 HH TYR A 79 2.256 -2.926 -3.164 1.00 -0.53 H new ATOM 1108 N LYS A 80 -3.997 0.255 -6.824 1.00 -0.46 N ATOM 1109 CA LYS A 80 -4.037 1.435 -5.964 1.00 0.04 C ATOM 1110 C LYS A 80 -4.141 0.898 -4.558 1.00 0.62 C ATOM 1111 O LYS A 80 -4.928 -0.005 -4.320 1.00 -0.50 O ATOM 1112 CB LYS A 80 -5.191 2.423 -6.299 1.00 -0.10 C ATOM 1113 CG LYS A 80 -4.834 3.398 -7.461 1.00 -0.16 C ATOM 1114 CD LYS A 80 -4.271 2.687 -8.724 1.00 -0.18 C ATOM 1115 CE LYS A 80 -3.747 3.700 -9.774 1.00 -0.04 C ATOM 1116 NZ LYS A 80 -3.313 3.015 -11.014 1.00 -0.14 N ATOM 0 H LYS A 80 -4.887 -0.013 -7.244 1.00 -0.46 H new ATOM 0 HA LYS A 80 -3.142 2.039 -6.110 1.00 0.04 H new ATOM 0 HB2 LYS A 80 -6.082 1.856 -6.568 1.00 -0.10 H new ATOM 0 HB3 LYS A 80 -5.438 3.001 -5.409 1.00 -0.10 H new ATOM 0 HG2 LYS A 80 -5.726 3.960 -7.739 1.00 -0.16 H new ATOM 0 HG3 LYS A 80 -4.100 4.121 -7.104 1.00 -0.16 H new ATOM 0 HD2 LYS A 80 -3.463 2.016 -8.433 1.00 -0.18 H new ATOM 0 HD3 LYS A 80 -5.051 2.071 -9.172 1.00 -0.18 H new ATOM 0 HE2 LYS A 80 -4.530 4.421 -10.009 1.00 -0.04 H new ATOM 0 HE3 LYS A 80 -2.912 4.262 -9.355 1.00 -0.04 H new ATOM 0 HZ1 LYS A 80 -2.968 3.719 -11.697 1.00 -0.14 H new ATOM 0 HZ2 LYS A 80 -2.549 2.345 -10.791 1.00 -0.14 H new ATOM 0 HZ3 LYS A 80 -4.117 2.499 -11.425 1.00 -0.14 H new ATOM 1130 N ILE A 81 -3.347 1.435 -3.611 1.00 -0.46 N ATOM 1131 CA ILE A 81 -3.428 0.947 -2.240 1.00 0.04 C ATOM 1132 C ILE A 81 -4.682 1.582 -1.699 1.00 0.62 C ATOM 1133 O ILE A 81 -4.601 2.756 -1.383 1.00 -0.50 O ATOM 1134 CB ILE A 81 -2.157 1.385 -1.454 1.00 -0.01 C ATOM 1135 CG1 ILE A 81 -0.922 0.643 -2.054 1.00 -0.05 C ATOM 1136 CG2 ILE A 81 -2.331 1.070 0.056 1.00 -0.09 C ATOM 1137 CD1 ILE A 81 0.454 1.023 -1.454 1.00 -0.09 C ATOM 0 H ILE A 81 -2.669 2.180 -3.770 1.00 -0.46 H new ATOM 0 HA ILE A 81 -3.469 -0.139 -2.160 1.00 0.04 H new ATOM 0 HB ILE A 81 -2.004 2.460 -1.548 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -1.069 -0.429 -1.925 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 -0.894 0.834 -3.127 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -1.437 1.380 0.598 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -3.195 1.610 0.443 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 -2.483 -0.001 0.189 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 1.237 0.446 -1.946 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 0.636 2.087 -1.607 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 0.458 0.804 -0.386 1.00 -0.09 H new ATOM 1149 N SER A 82 -5.836 0.877 -1.601 1.00 -0.46 N ATOM 1150 CA SER A 82 -7.030 1.501 -1.030 1.00 0.04 C ATOM 1151 C SER A 82 -7.945 0.462 -0.413 1.00 0.62 C ATOM 1152 O SER A 82 -7.972 -0.633 -0.954 1.00 -0.50 O ATOM 1153 CB SER A 82 -7.772 2.331 -2.113 1.00 0.02 C ATOM 1154 OG SER A 82 -7.105 3.573 -2.408 1.00 -0.55 O ATOM 0 H SER A 82 -5.954 -0.091 -1.902 1.00 -0.46 H new ATOM 0 HA SER A 82 -6.719 2.177 -0.233 1.00 0.04 H new ATOM 0 HB2 SER A 82 -7.854 1.741 -3.026 1.00 0.02 H new ATOM 0 HB3 SER A 82 -8.787 2.539 -1.775 1.00 0.02 H new ATOM 0 HG SER A 82 -6.216 3.573 -1.995 1.00 -0.55 H new ATOM 1160 N PRO A 83 -8.701 0.724 0.688 1.00 -0.23 N ATOM 1161 CA PRO A 83 -9.539 -0.322 1.248 1.00 0.04 C ATOM 1162 C PRO A 83 -10.684 -0.684 0.335 1.00 0.53 C ATOM 1163 O PRO A 83 -11.279 -1.730 0.536 1.00 -0.50 O ATOM 1164 CB PRO A 83 -9.991 0.320 2.578 1.00 -0.12 C ATOM 1165 CG PRO A 83 -9.953 1.833 2.285 1.00 -0.12 C ATOM 1166 CD PRO A 83 -8.727 2.019 1.355 1.00 -0.01 C ATOM 0 HA PRO A 83 -9.033 -1.277 1.386 1.00 0.04 H new ATOM 0 HB2 PRO A 83 -10.991 -0.008 2.861 1.00 -0.12 H new ATOM 0 HB3 PRO A 83 -9.324 0.054 3.398 1.00 -0.12 H new ATOM 0 HG2 PRO A 83 -10.871 2.167 1.802 1.00 -0.12 H new ATOM 0 HG3 PRO A 83 -9.847 2.412 3.202 1.00 -0.12 H new ATOM 0 HD2 PRO A 83 -8.859 2.844 0.654 1.00 -0.01 H new ATOM 0 HD3 PRO A 83 -7.811 2.217 1.911 1.00 -0.01 H new ATOM 1174 N SER A 84 -11.018 0.144 -0.679 1.00 -0.46 N ATOM 1175 CA SER A 84 -12.118 -0.201 -1.576 1.00 0.04 C ATOM 1176 C SER A 84 -11.744 -1.321 -2.528 1.00 0.62 C ATOM 1177 O SER A 84 -12.543 -2.226 -2.716 1.00 -0.50 O ATOM 1178 CB SER A 84 -12.542 1.051 -2.393 1.00 0.02 C ATOM 1179 OG SER A 84 -13.760 0.825 -3.121 1.00 -0.55 O ATOM 0 H SER A 84 -10.552 1.028 -0.885 1.00 -0.46 H new ATOM 0 HA SER A 84 -12.948 -0.548 -0.960 1.00 0.04 H new ATOM 0 HB2 SER A 84 -12.673 1.898 -1.719 1.00 0.02 H new ATOM 0 HB3 SER A 84 -11.747 1.318 -3.089 1.00 0.02 H new ATOM 0 HG SER A 84 -13.997 1.634 -3.622 1.00 -0.55 H new ATOM 1185 N THR A 85 -10.542 -1.290 -3.150 1.00 -0.46 N ATOM 1186 CA THR A 85 -10.208 -2.310 -4.150 1.00 0.04 C ATOM 1187 C THR A 85 -9.931 -3.651 -3.507 1.00 0.62 C ATOM 1188 O THR A 85 -9.569 -3.661 -2.340 1.00 -0.50 O ATOM 1189 CB THR A 85 -8.984 -1.922 -5.033 1.00 0.17 C ATOM 1190 OG1 THR A 85 -8.760 -2.912 -6.055 1.00 -0.55 O ATOM 1191 CG2 THR A 85 -7.666 -1.761 -4.221 1.00 -0.19 C ATOM 0 H THR A 85 -9.816 -0.594 -2.981 1.00 -0.46 H new ATOM 0 HA THR A 85 -11.087 -2.379 -4.791 1.00 0.04 H new ATOM 0 HB THR A 85 -9.235 -0.957 -5.472 1.00 0.17 H new ATOM 0 HG1 THR A 85 -7.989 -2.651 -6.600 1.00 -0.55 H new ATOM 0 HG21 THR A 85 -6.854 -1.491 -4.896 1.00 -0.19 H new ATOM 0 HG22 THR A 85 -7.793 -0.978 -3.473 1.00 -0.19 H new ATOM 0 HG23 THR A 85 -7.427 -2.702 -3.724 1.00 -0.19 H new ATOM 1199 N ASP A 86 -10.078 -4.780 -4.239 1.00 -0.46 N ATOM 1200 CA ASP A 86 -9.712 -6.091 -3.704 1.00 0.04 C ATOM 1201 C ASP A 86 -8.663 -6.701 -4.607 1.00 0.62 C ATOM 1202 O ASP A 86 -8.685 -6.443 -5.800 1.00 -0.50 O ATOM 1203 CB ASP A 86 -10.951 -7.020 -3.603 1.00 -0.40 C ATOM 1204 CG ASP A 86 -11.803 -6.646 -2.422 1.00 0.71 C ATOM 1205 OD1 ASP A 86 -12.200 -5.454 -2.314 1.00 -0.72 O ATOM 1206 OD2 ASP A 86 -12.069 -7.536 -1.570 1.00 -0.72 O ATOM 0 H ASP A 86 -10.444 -4.799 -5.191 1.00 -0.46 H new ATOM 0 HA ASP A 86 -9.313 -5.973 -2.696 1.00 0.04 H new ATOM 0 HB2 ASP A 86 -11.539 -6.950 -4.518 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 -10.627 -8.057 -3.510 1.00 -0.40 H new ATOM 1211 N CYS A 87 -7.739 -7.519 -4.052 1.00 -0.46 N ATOM 1212 CA CYS A 87 -6.741 -8.202 -4.874 1.00 0.04 C ATOM 1213 C CYS A 87 -7.052 -9.683 -4.960 1.00 0.62 C ATOM 1214 O CYS A 87 -6.158 -10.493 -5.144 1.00 -0.50 O ATOM 1215 CB CYS A 87 -5.349 -7.908 -4.266 1.00 -0.10 C ATOM 1216 SG CYS A 87 -4.694 -6.312 -4.830 1.00 0.82 S ATOM 0 H CYS A 87 -7.672 -7.714 -3.053 1.00 -0.46 H new ATOM 0 HA CYS A 87 -6.755 -7.836 -5.901 1.00 0.04 H new ATOM 0 HB2 CYS A 87 -5.419 -7.909 -3.178 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 -4.656 -8.703 -4.541 1.00 -0.10 H new