USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 458 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 45 HIS : no HD1:sc= 0 X(o=0.43,f=0.43) USER MOD Set 1.2: A 66 HIS : no HE2:sc= 0.432 K(o=0.43,f=-2.1!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -0.094 K(o=-1.9,f=-7.8!) USER MOD Set 2.2: A 53 HIS : no HD1:sc= -0.238 X(o=-1.9,f=-1.4) USER MOD Set 2.3: A 57 ASN : amide:sc= -1.56 K(o=-1.9,f=-4.2!) USER MOD Set 3.1: A 17 HIS : no HD1:sc= -0.431 X(o=-0.94,f=-0.75) USER MOD Set 3.2: A 30 HIS : no HE2:sc= -0.508 X(o=-0.94,f=-0.89) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.92 K(o=-1.9,f=-0.046) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0718 K(o=-0.072,f=-0.58) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= -0.414 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0129) USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0161) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0184 USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= 0.306 (180deg=-1.98!) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 16:sc= 1.02 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= -0.0317 (180deg=-0.264) USER MOD Single : A 55 SER OG : rot 180:sc= 0.127 USER MOD Single : A 56 ASN : amide:sc= 0.782 K(o=0.78,f=-0.011) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -155:sc= 1.12 (180deg=0.629) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -2.383 -8.900 -9.047 1.00 0.00 N ATOM 14 CA ASP A 2 -2.758 -7.887 -10.025 1.00 0.00 C ATOM 15 C ASP A 2 -3.575 -6.820 -9.288 1.00 0.00 C ATOM 16 O ASP A 2 -3.195 -5.653 -9.216 1.00 0.00 O ATOM 17 CB ASP A 2 -3.562 -8.545 -11.156 1.00 0.00 C ATOM 18 CG ASP A 2 -3.846 -7.547 -12.264 1.00 0.00 C ATOM 19 OD1 ASP A 2 -4.681 -6.654 -12.017 1.00 0.00 O ATOM 20 OD2 ASP A 2 -3.193 -7.677 -13.321 1.00 0.00 O ATOM 0 HA ASP A 2 -1.884 -7.420 -10.479 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.007 -9.393 -11.557 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.500 -8.935 -10.762 1.00 0.00 H new ATOM 25 N VAL A 3 -4.623 -7.285 -8.610 1.00 0.00 N ATOM 26 CA VAL A 3 -5.337 -6.579 -7.558 1.00 0.00 C ATOM 27 C VAL A 3 -5.426 -7.546 -6.375 1.00 0.00 C ATOM 28 O VAL A 3 -5.426 -8.760 -6.582 1.00 0.00 O ATOM 29 CB VAL A 3 -6.716 -6.105 -8.057 1.00 0.00 C ATOM 30 CG1 VAL A 3 -7.527 -5.437 -6.937 1.00 0.00 C ATOM 31 CG2 VAL A 3 -6.554 -5.089 -9.197 1.00 0.00 C ATOM 0 H VAL A 3 -5.013 -8.210 -8.792 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.819 -5.671 -7.250 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.246 -6.991 -8.406 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.493 -5.117 -7.328 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.682 -6.149 -6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.983 -4.571 -6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.537 -4.765 -9.538 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.991 -4.227 -8.839 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.018 -5.553 -10.025 1.00 0.00 H new ATOM 41 N VAL A 4 -5.425 -7.013 -5.152 1.00 0.00 N ATOM 42 CA VAL A 4 -5.483 -7.747 -3.889 1.00 0.00 C ATOM 43 C VAL A 4 -6.417 -6.981 -2.929 1.00 0.00 C ATOM 44 O VAL A 4 -6.761 -5.823 -3.166 1.00 0.00 O ATOM 45 CB VAL A 4 -4.042 -7.937 -3.358 1.00 0.00 C ATOM 46 CG1 VAL A 4 -3.982 -8.503 -1.932 1.00 0.00 C ATOM 47 CG2 VAL A 4 -3.229 -8.864 -4.275 1.00 0.00 C ATOM 0 H VAL A 4 -5.381 -6.004 -5.010 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.901 -8.747 -4.005 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.614 -6.935 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.941 -8.609 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.493 -7.824 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.469 -9.478 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.221 -8.978 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.712 -9.840 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.177 -8.432 -5.275 1.00 0.00 H new ATOM 57 N THR A 5 -6.897 -7.607 -1.852 1.00 0.00 N ATOM 58 CA THR A 5 -7.814 -6.974 -0.908 1.00 0.00 C ATOM 59 C THR A 5 -7.658 -7.687 0.435 1.00 0.00 C ATOM 60 O THR A 5 -7.331 -8.874 0.440 1.00 0.00 O ATOM 61 CB THR A 5 -9.258 -7.085 -1.438 1.00 0.00 C ATOM 62 OG1 THR A 5 -9.325 -6.712 -2.801 1.00 0.00 O ATOM 63 CG2 THR A 5 -10.246 -6.204 -0.667 1.00 0.00 C ATOM 0 H THR A 5 -6.659 -8.569 -1.612 1.00 0.00 H new ATOM 0 HA THR A 5 -7.589 -5.914 -0.787 1.00 0.00 H new ATOM 0 HB THR A 5 -9.538 -8.130 -1.304 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.249 -6.791 -3.117 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.245 -6.325 -1.086 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.254 -6.499 0.382 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.943 -5.160 -0.748 1.00 0.00 H new ATOM 71 N TYR A 6 -7.877 -6.985 1.552 1.00 0.00 N ATOM 72 CA TYR A 6 -7.897 -7.573 2.888 1.00 0.00 C ATOM 73 C TYR A 6 -9.008 -6.924 3.720 1.00 0.00 C ATOM 74 O TYR A 6 -9.351 -5.763 3.489 1.00 0.00 O ATOM 75 CB TYR A 6 -6.543 -7.380 3.581 1.00 0.00 C ATOM 76 CG TYR A 6 -5.404 -8.278 3.125 1.00 0.00 C ATOM 77 CD1 TYR A 6 -4.576 -7.898 2.052 1.00 0.00 C ATOM 78 CD2 TYR A 6 -5.053 -9.400 3.901 1.00 0.00 C ATOM 79 CE1 TYR A 6 -3.351 -8.556 1.834 1.00 0.00 C ATOM 80 CE2 TYR A 6 -3.856 -10.091 3.647 1.00 0.00 C ATOM 81 CZ TYR A 6 -2.969 -9.624 2.665 1.00 0.00 C ATOM 82 OH TYR A 6 -1.778 -10.261 2.476 1.00 0.00 O ATOM 0 H TYR A 6 -8.047 -5.979 1.549 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.090 -8.642 2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.235 -6.344 3.442 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -6.685 -7.529 4.651 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.882 -7.098 1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.707 -9.731 4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.704 -8.241 1.028 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.618 -10.983 4.208 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.679 -10.973 3.142 1.00 0.00 H new ATOM 92 N GLU A 7 -9.559 -7.668 4.685 1.00 0.00 N ATOM 93 CA GLU A 7 -10.639 -7.248 5.571 1.00 0.00 C ATOM 94 C GLU A 7 -10.069 -6.898 6.948 1.00 0.00 C ATOM 95 O GLU A 7 -9.427 -7.738 7.574 1.00 0.00 O ATOM 96 CB GLU A 7 -11.675 -8.371 5.686 1.00 0.00 C ATOM 97 CG GLU A 7 -12.296 -8.706 4.324 1.00 0.00 C ATOM 98 CD GLU A 7 -13.434 -9.705 4.484 1.00 0.00 C ATOM 99 OE1 GLU A 7 -14.449 -9.304 5.092 1.00 0.00 O ATOM 100 OE2 GLU A 7 -13.261 -10.847 4.009 1.00 0.00 O ATOM 0 H GLU A 7 -9.247 -8.621 4.874 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.126 -6.363 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.203 -9.262 6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.460 -8.073 6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.668 -7.795 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.534 -9.118 3.662 1.00 0.00 H new ATOM 107 N ASN A 8 -10.276 -5.658 7.405 1.00 0.00 N ATOM 108 CA ASN A 8 -9.741 -5.123 8.655 1.00 0.00 C ATOM 109 C ASN A 8 -10.934 -4.766 9.548 1.00 0.00 C ATOM 110 O ASN A 8 -12.073 -4.742 9.083 1.00 0.00 O ATOM 111 CB ASN A 8 -8.859 -3.884 8.378 1.00 0.00 C ATOM 112 CG ASN A 8 -7.569 -4.194 7.622 1.00 0.00 C ATOM 113 OD1 ASN A 8 -6.491 -3.794 8.046 1.00 0.00 O ATOM 114 ND2 ASN A 8 -7.653 -4.888 6.494 1.00 0.00 N ATOM 0 H ASN A 8 -10.840 -4.979 6.895 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.109 -5.859 9.152 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.438 -3.160 7.805 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.607 -3.411 9.327 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.809 -5.099 5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.561 -5.211 6.160 1.00 0.00 H new ATOM 121 N LYS A 9 -10.714 -4.476 10.834 1.00 0.00 N ATOM 122 CA LYS A 9 -11.788 -3.946 11.663 1.00 0.00 C ATOM 123 C LYS A 9 -12.169 -2.562 11.131 1.00 0.00 C ATOM 124 O LYS A 9 -13.349 -2.228 11.031 1.00 0.00 O ATOM 125 CB LYS A 9 -11.366 -3.908 13.139 1.00 0.00 C ATOM 126 CG LYS A 9 -12.557 -4.010 14.109 1.00 0.00 C ATOM 127 CD LYS A 9 -12.388 -5.210 15.056 1.00 0.00 C ATOM 128 CE LYS A 9 -12.538 -6.552 14.314 1.00 0.00 C ATOM 129 NZ LYS A 9 -12.135 -7.700 15.151 1.00 0.00 N ATOM 0 H LYS A 9 -9.821 -4.598 11.311 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.663 -4.594 11.612 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.674 -4.728 13.334 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.825 -2.982 13.333 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.639 -3.091 14.690 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.484 -4.114 13.545 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.407 -5.164 15.529 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.129 -5.151 15.853 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.575 -6.679 14.001 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.932 -6.534 13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.252 -8.581 14.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.138 -7.594 15.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.730 -7.734 16.003 1.00 0.00 H new ATOM 143 N LYS A 10 -11.174 -1.756 10.746 1.00 0.00 N ATOM 144 CA LYS A 10 -11.387 -0.504 10.030 1.00 0.00 C ATOM 145 C LYS A 10 -11.675 -0.790 8.553 1.00 0.00 C ATOM 146 O LYS A 10 -10.930 -0.375 7.666 1.00 0.00 O ATOM 147 CB LYS A 10 -10.185 0.425 10.234 1.00 0.00 C ATOM 148 CG LYS A 10 -9.935 0.770 11.709 1.00 0.00 C ATOM 149 CD LYS A 10 -11.058 1.589 12.374 1.00 0.00 C ATOM 150 CE LYS A 10 -11.991 0.711 13.227 1.00 0.00 C ATOM 151 NZ LYS A 10 -13.067 1.497 13.866 1.00 0.00 N ATOM 0 H LYS A 10 -10.191 -1.961 10.927 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.260 0.013 10.430 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.294 -0.048 9.821 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.346 1.346 9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.799 -0.156 12.267 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.002 1.328 11.785 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.618 2.364 13.001 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.641 2.095 11.604 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.433 -0.063 12.600 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.408 0.204 13.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.670 0.865 14.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.648 2.220 14.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.641 1.960 13.133 1.00 0.00 H new ATOM 165 N GLY A 11 -12.792 -1.476 8.312 1.00 0.00 N ATOM 166 CA GLY A 11 -13.323 -1.741 6.983 1.00 0.00 C ATOM 167 C GLY A 11 -12.417 -2.694 6.215 1.00 0.00 C ATOM 168 O GLY A 11 -11.470 -3.239 6.770 1.00 0.00 O ATOM 0 H GLY A 11 -13.365 -1.871 9.058 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.322 -2.170 7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.422 -0.805 6.433 1.00 0.00 H new ATOM 172 N ASN A 12 -12.681 -2.908 4.927 1.00 0.00 N ATOM 173 CA ASN A 12 -11.698 -3.573 4.082 1.00 0.00 C ATOM 174 C ASN A 12 -10.742 -2.533 3.512 1.00 0.00 C ATOM 175 O ASN A 12 -10.988 -1.330 3.607 1.00 0.00 O ATOM 176 CB ASN A 12 -12.373 -4.398 2.975 1.00 0.00 C ATOM 177 CG ASN A 12 -12.938 -3.527 1.857 1.00 0.00 C ATOM 178 OD1 ASN A 12 -12.205 -3.061 0.991 1.00 0.00 O ATOM 179 ND2 ASN A 12 -14.249 -3.303 1.860 1.00 0.00 N ATOM 0 H ASN A 12 -13.545 -2.638 4.457 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.128 -4.279 4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.650 -5.097 2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.177 -4.993 3.409 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.670 -2.730 1.129 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.833 -3.704 2.594 1.00 0.00 H new ATOM 186 N VAL A 13 -9.656 -3.016 2.918 1.00 0.00 N ATOM 187 CA VAL A 13 -8.699 -2.212 2.191 1.00 0.00 C ATOM 188 C VAL A 13 -8.367 -2.957 0.902 1.00 0.00 C ATOM 189 O VAL A 13 -8.189 -4.177 0.912 1.00 0.00 O ATOM 190 CB VAL A 13 -7.471 -1.939 3.075 1.00 0.00 C ATOM 191 CG1 VAL A 13 -6.800 -3.229 3.551 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.432 -1.083 2.346 1.00 0.00 C ATOM 0 H VAL A 13 -9.417 -4.007 2.934 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.099 -1.233 1.928 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.845 -1.397 3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.938 -2.983 4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.511 -3.816 4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.472 -3.808 2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.578 -0.910 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.100 -1.601 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.877 -0.127 2.070 1.00 0.00 H new ATOM 202 N THR A 14 -8.302 -2.213 -0.202 1.00 0.00 N ATOM 203 CA THR A 14 -7.864 -2.702 -1.497 1.00 0.00 C ATOM 204 C THR A 14 -6.365 -2.429 -1.609 1.00 0.00 C ATOM 205 O THR A 14 -5.903 -1.342 -1.261 1.00 0.00 O ATOM 206 CB THR A 14 -8.675 -2.009 -2.599 1.00 0.00 C ATOM 207 OG1 THR A 14 -10.050 -2.259 -2.373 1.00 0.00 O ATOM 208 CG2 THR A 14 -8.319 -2.524 -3.996 1.00 0.00 C ATOM 0 H THR A 14 -8.561 -1.227 -0.214 1.00 0.00 H new ATOM 0 HA THR A 14 -8.031 -3.773 -1.608 1.00 0.00 H new ATOM 0 HB THR A 14 -8.443 -0.945 -2.561 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.581 -1.820 -3.070 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.920 -2.002 -4.740 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.262 -2.344 -4.192 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.521 -3.594 -4.052 1.00 0.00 H new ATOM 216 N PHE A 15 -5.612 -3.428 -2.065 1.00 0.00 N ATOM 217 CA PHE A 15 -4.214 -3.315 -2.445 1.00 0.00 C ATOM 218 C PHE A 15 -4.221 -3.492 -3.958 1.00 0.00 C ATOM 219 O PHE A 15 -4.925 -4.377 -4.434 1.00 0.00 O ATOM 220 CB PHE A 15 -3.417 -4.496 -1.872 1.00 0.00 C ATOM 221 CG PHE A 15 -2.972 -4.485 -0.421 1.00 0.00 C ATOM 222 CD1 PHE A 15 -3.905 -4.258 0.609 1.00 0.00 C ATOM 223 CD2 PHE A 15 -1.741 -5.103 -0.112 1.00 0.00 C ATOM 224 CE1 PHE A 15 -3.626 -4.687 1.918 1.00 0.00 C ATOM 225 CE2 PHE A 15 -1.479 -5.555 1.193 1.00 0.00 C ATOM 226 CZ PHE A 15 -2.432 -5.364 2.203 1.00 0.00 C ATOM 0 H PHE A 15 -5.977 -4.373 -2.183 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.779 -2.379 -2.096 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.018 -5.393 -2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.522 -4.609 -2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.835 -3.754 0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.996 -5.229 -0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.336 -4.494 2.709 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.545 -6.049 1.417 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.247 -5.738 3.199 1.00 0.00 H new ATOM 236 N ASP A 16 -3.405 -2.762 -4.713 1.00 0.00 N ATOM 237 CA ASP A 16 -3.177 -3.171 -6.091 1.00 0.00 C ATOM 238 C ASP A 16 -1.816 -3.814 -6.169 1.00 0.00 C ATOM 239 O ASP A 16 -0.994 -3.690 -5.259 1.00 0.00 O ATOM 240 CB ASP A 16 -3.221 -2.015 -7.075 1.00 0.00 C ATOM 241 CG ASP A 16 -4.500 -1.204 -6.999 1.00 0.00 C ATOM 242 OD1 ASP A 16 -5.570 -1.818 -6.809 1.00 0.00 O ATOM 243 OD2 ASP A 16 -4.355 0.024 -7.161 1.00 0.00 O ATOM 0 H ASP A 16 -2.911 -1.922 -4.411 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.977 -3.858 -6.367 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.372 -1.358 -6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.107 -2.405 -8.087 1.00 0.00 H new ATOM 248 N HIS A 17 -1.573 -4.450 -7.307 1.00 0.00 N ATOM 249 CA HIS A 17 -0.269 -4.905 -7.694 1.00 0.00 C ATOM 250 C HIS A 17 0.032 -4.322 -9.067 1.00 0.00 C ATOM 251 O HIS A 17 0.949 -3.518 -9.199 1.00 0.00 O ATOM 252 CB HIS A 17 -0.270 -6.439 -7.612 1.00 0.00 C ATOM 253 CG HIS A 17 0.973 -7.041 -7.016 1.00 0.00 C ATOM 254 ND1 HIS A 17 1.594 -8.180 -7.466 1.00 0.00 N ATOM 255 CD2 HIS A 17 1.748 -6.507 -6.018 1.00 0.00 C ATOM 256 CE1 HIS A 17 2.740 -8.307 -6.782 1.00 0.00 C ATOM 257 NE2 HIS A 17 2.896 -7.294 -5.910 1.00 0.00 N ATOM 0 H HIS A 17 -2.299 -4.662 -7.992 1.00 0.00 H new ATOM 0 HA HIS A 17 0.535 -4.568 -7.040 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.129 -6.756 -7.021 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.407 -6.842 -8.615 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.513 -5.636 -5.424 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.444 -9.115 -6.913 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.693 -7.133 -5.294 1.00 0.00 H new ATOM 265 N LYS A 18 -0.779 -4.648 -10.074 1.00 0.00 N ATOM 266 CA LYS A 18 -0.610 -4.092 -11.411 1.00 0.00 C ATOM 267 C LYS A 18 -0.990 -2.614 -11.431 1.00 0.00 C ATOM 268 O LYS A 18 -0.194 -1.782 -11.864 1.00 0.00 O ATOM 269 CB LYS A 18 -1.408 -4.893 -12.451 1.00 0.00 C ATOM 270 CG LYS A 18 -0.475 -5.758 -13.307 1.00 0.00 C ATOM 271 CD LYS A 18 0.251 -4.882 -14.342 1.00 0.00 C ATOM 272 CE LYS A 18 1.504 -5.585 -14.880 1.00 0.00 C ATOM 273 NZ LYS A 18 2.191 -4.768 -15.902 1.00 0.00 N ATOM 0 H LYS A 18 -1.561 -5.297 -9.985 1.00 0.00 H new ATOM 0 HA LYS A 18 0.443 -4.170 -11.681 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.137 -5.527 -11.947 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.967 -4.211 -13.091 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.252 -6.262 -12.671 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.048 -6.535 -13.813 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.424 -4.654 -15.167 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.531 -3.932 -13.887 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.189 -5.790 -14.057 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.226 -6.547 -15.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.033 -5.274 -16.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.546 -4.594 -16.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.479 -3.860 -15.485 1.00 0.00 H new ATOM 287 N ALA A 19 -2.200 -2.299 -10.962 1.00 0.00 N ATOM 288 CA ALA A 19 -2.729 -0.942 -11.015 1.00 0.00 C ATOM 289 C ALA A 19 -1.880 0.040 -10.196 1.00 0.00 C ATOM 290 O ALA A 19 -1.810 1.215 -10.543 1.00 0.00 O ATOM 291 CB ALA A 19 -4.207 -0.928 -10.618 1.00 0.00 C ATOM 0 H ALA A 19 -2.834 -2.976 -10.538 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.667 -0.591 -12.045 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.586 0.093 -10.663 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.774 -1.556 -11.305 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.315 -1.311 -9.603 1.00 0.00 H new ATOM 297 N HIS A 20 -1.172 -0.427 -9.157 1.00 0.00 N ATOM 298 CA HIS A 20 -0.131 0.399 -8.552 1.00 0.00 C ATOM 299 C HIS A 20 1.132 0.353 -9.429 1.00 0.00 C ATOM 300 O HIS A 20 1.670 1.398 -9.800 1.00 0.00 O ATOM 301 CB HIS A 20 0.124 0.014 -7.080 1.00 0.00 C ATOM 302 CG HIS A 20 -0.738 0.758 -6.077 1.00 0.00 C ATOM 303 ND1 HIS A 20 -2.099 0.922 -6.159 1.00 0.00 N ATOM 304 CD2 HIS A 20 -0.320 1.464 -4.970 1.00 0.00 C ATOM 305 CE1 HIS A 20 -2.488 1.657 -5.118 1.00 0.00 C ATOM 306 NE2 HIS A 20 -1.446 2.035 -4.350 1.00 0.00 N ATOM 0 H HIS A 20 -1.299 -1.346 -8.732 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.466 1.435 -8.515 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.046 -1.056 -6.963 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.173 0.198 -6.846 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.705 0.547 -6.888 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.702 1.562 -4.634 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.516 1.919 -4.914 1.00 0.00 H new ATOM 314 N ALA A 21 1.631 -0.844 -9.766 1.00 0.00 N ATOM 315 CA ALA A 21 2.884 -1.009 -10.501 1.00 0.00 C ATOM 316 C ALA A 21 2.989 -0.150 -11.762 1.00 0.00 C ATOM 317 O ALA A 21 4.083 0.331 -12.043 1.00 0.00 O ATOM 318 CB ALA A 21 3.145 -2.470 -10.860 1.00 0.00 C ATOM 0 H ALA A 21 1.173 -1.725 -9.534 1.00 0.00 H new ATOM 0 HA ALA A 21 3.650 -0.659 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.086 -2.548 -11.405 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.204 -3.064 -9.948 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.332 -2.842 -11.484 1.00 0.00 H new ATOM 324 N GLU A 22 1.908 0.044 -12.524 1.00 0.00 N ATOM 325 CA GLU A 22 1.966 0.895 -13.710 1.00 0.00 C ATOM 326 C GLU A 22 2.520 2.294 -13.399 1.00 0.00 C ATOM 327 O GLU A 22 3.172 2.900 -14.248 1.00 0.00 O ATOM 328 CB GLU A 22 0.605 0.978 -14.408 1.00 0.00 C ATOM 329 CG GLU A 22 -0.532 1.429 -13.486 1.00 0.00 C ATOM 330 CD GLU A 22 -1.719 1.898 -14.311 1.00 0.00 C ATOM 331 OE1 GLU A 22 -2.533 1.023 -14.677 1.00 0.00 O ATOM 332 OE2 GLU A 22 -1.748 3.113 -14.604 1.00 0.00 O ATOM 0 H GLU A 22 0.995 -0.372 -12.342 1.00 0.00 H new ATOM 0 HA GLU A 22 2.666 0.423 -14.399 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.678 1.671 -15.246 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.359 0.001 -14.823 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.833 0.606 -12.837 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.188 2.236 -12.839 1.00 0.00 H new ATOM 339 N LYS A 23 2.267 2.802 -12.189 1.00 0.00 N ATOM 340 CA LYS A 23 2.824 4.055 -11.708 1.00 0.00 C ATOM 341 C LYS A 23 4.130 3.782 -10.961 1.00 0.00 C ATOM 342 O LYS A 23 5.163 4.366 -11.276 1.00 0.00 O ATOM 343 CB LYS A 23 1.782 4.767 -10.828 1.00 0.00 C ATOM 344 CG LYS A 23 0.650 5.357 -11.680 1.00 0.00 C ATOM 345 CD LYS A 23 1.089 6.676 -12.337 1.00 0.00 C ATOM 346 CE LYS A 23 0.455 6.822 -13.727 1.00 0.00 C ATOM 347 NZ LYS A 23 0.923 8.041 -14.417 1.00 0.00 N ATOM 0 H LYS A 23 1.659 2.342 -11.511 1.00 0.00 H new ATOM 0 HA LYS A 23 3.060 4.716 -12.542 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.369 4.063 -10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.264 5.561 -10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.358 4.642 -12.449 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.227 5.531 -11.057 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.798 7.517 -11.708 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.175 6.703 -12.422 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.697 5.947 -14.331 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.630 6.853 -13.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.473 8.105 -15.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.670 8.878 -13.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.956 8.000 -14.532 1.00 0.00 H new ATOM 361 N LEU A 24 4.077 2.921 -9.945 1.00 0.00 N ATOM 362 CA LEU A 24 5.166 2.694 -9.017 1.00 0.00 C ATOM 363 C LEU A 24 6.391 2.009 -9.621 1.00 0.00 C ATOM 364 O LEU A 24 7.515 2.412 -9.336 1.00 0.00 O ATOM 365 CB LEU A 24 4.636 1.835 -7.876 1.00 0.00 C ATOM 366 CG LEU A 24 3.878 2.674 -6.846 1.00 0.00 C ATOM 367 CD1 LEU A 24 2.464 3.061 -7.273 1.00 0.00 C ATOM 368 CD2 LEU A 24 3.741 1.834 -5.586 1.00 0.00 C ATOM 0 H LEU A 24 3.253 2.353 -9.746 1.00 0.00 H new ATOM 0 HA LEU A 24 5.508 3.675 -8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.976 1.065 -8.276 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.466 1.323 -7.389 1.00 0.00 H new ATOM 0 HG LEU A 24 4.444 3.596 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.996 3.654 -6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.509 3.646 -8.192 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.876 2.159 -7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.204 2.402 -4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.190 0.922 -5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.731 1.575 -5.212 1.00 0.00 H new ATOM 380 N GLY A 25 6.188 0.926 -10.374 1.00 0.00 N ATOM 381 CA GLY A 25 7.285 0.202 -10.996 1.00 0.00 C ATOM 382 C GLY A 25 8.012 -0.768 -10.061 1.00 0.00 C ATOM 383 O GLY A 25 9.237 -0.816 -10.074 1.00 0.00 O ATOM 0 H GLY A 25 5.266 0.534 -10.565 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.899 -0.355 -11.849 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.005 0.922 -11.385 1.00 0.00 H new ATOM 387 N CYS A 26 7.258 -1.552 -9.280 1.00 0.00 N ATOM 388 CA CYS A 26 7.733 -2.593 -8.356 1.00 0.00 C ATOM 389 C CYS A 26 8.589 -2.017 -7.218 1.00 0.00 C ATOM 390 O CYS A 26 8.157 -1.982 -6.061 1.00 0.00 O ATOM 391 CB CYS A 26 8.438 -3.764 -9.027 1.00 0.00 C ATOM 392 SG CYS A 26 7.712 -4.429 -10.561 1.00 0.00 S ATOM 0 H CYS A 26 6.241 -1.473 -9.275 1.00 0.00 H new ATOM 0 HA CYS A 26 6.820 -3.004 -7.926 1.00 0.00 H new ATOM 0 HB2 CYS A 26 9.461 -3.458 -9.246 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.497 -4.578 -8.304 1.00 0.00 H new ATOM 0 HG CYS A 26 8.440 -5.415 -10.993 1.00 0.00 H new ATOM 397 N ASP A 27 9.792 -1.541 -7.545 1.00 0.00 N ATOM 398 CA ASP A 27 10.849 -1.173 -6.609 1.00 0.00 C ATOM 399 C ASP A 27 10.577 0.148 -5.870 1.00 0.00 C ATOM 400 O ASP A 27 11.489 0.743 -5.301 1.00 0.00 O ATOM 401 CB ASP A 27 12.191 -1.140 -7.354 1.00 0.00 C ATOM 402 CG ASP A 27 12.579 -2.508 -7.895 1.00 0.00 C ATOM 403 OD1 ASP A 27 13.143 -3.297 -7.105 1.00 0.00 O ATOM 404 OD2 ASP A 27 12.298 -2.751 -9.087 1.00 0.00 O ATOM 0 H ASP A 27 10.066 -1.396 -8.517 1.00 0.00 H new ATOM 0 HA ASP A 27 10.882 -1.932 -5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.130 -0.429 -8.178 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.970 -0.783 -6.681 1.00 0.00 H new ATOM 409 N ALA A 28 9.325 0.616 -5.871 1.00 0.00 N ATOM 410 CA ALA A 28 8.851 1.683 -5.002 1.00 0.00 C ATOM 411 C ALA A 28 8.155 1.099 -3.766 1.00 0.00 C ATOM 412 O ALA A 28 8.016 1.797 -2.764 1.00 0.00 O ATOM 413 CB ALA A 28 7.903 2.594 -5.780 1.00 0.00 C ATOM 0 H ALA A 28 8.602 0.252 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 28 9.702 2.272 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.549 3.392 -5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.430 3.027 -6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.053 2.014 -6.138 1.00 0.00 H new ATOM 419 N CYS A 29 7.698 -0.158 -3.842 1.00 0.00 N ATOM 420 CA CYS A 29 7.192 -0.912 -2.698 1.00 0.00 C ATOM 421 C CYS A 29 8.248 -1.940 -2.296 1.00 0.00 C ATOM 422 O CYS A 29 8.603 -2.053 -1.125 1.00 0.00 O ATOM 423 CB CYS A 29 5.900 -1.614 -3.037 1.00 0.00 C ATOM 424 SG CYS A 29 4.522 -0.455 -3.252 1.00 0.00 S ATOM 0 H CYS A 29 7.671 -0.684 -4.716 1.00 0.00 H new ATOM 0 HA CYS A 29 6.992 -0.225 -1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.032 -2.191 -3.952 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.656 -2.323 -2.246 1.00 0.00 H new ATOM 0 HG CYS A 29 3.441 -1.115 -3.544 1.00 0.00 H new ATOM 429 N HIS A 30 8.732 -2.706 -3.277 1.00 0.00 N ATOM 430 CA HIS A 30 9.815 -3.658 -3.107 1.00 0.00 C ATOM 431 C HIS A 30 11.156 -2.946 -3.296 1.00 0.00 C ATOM 432 O HIS A 30 11.188 -1.725 -3.425 1.00 0.00 O ATOM 433 CB HIS A 30 9.600 -4.768 -4.137 1.00 0.00 C ATOM 434 CG HIS A 30 8.316 -5.517 -3.902 1.00 0.00 C ATOM 435 ND1 HIS A 30 8.089 -6.439 -2.906 1.00 0.00 N ATOM 436 CD2 HIS A 30 7.197 -5.457 -4.683 1.00 0.00 C ATOM 437 CE1 HIS A 30 6.864 -6.952 -3.113 1.00 0.00 C ATOM 438 NE2 HIS A 30 6.279 -6.384 -4.180 1.00 0.00 N ATOM 0 H HIS A 30 8.369 -2.675 -4.230 1.00 0.00 H new ATOM 0 HA HIS A 30 9.826 -4.091 -2.107 1.00 0.00 H new ATOM 0 HB2 HIS A 30 9.589 -4.336 -5.138 1.00 0.00 H new ATOM 0 HB3 HIS A 30 10.438 -5.464 -4.099 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.730 -6.687 -2.152 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.048 -4.810 -5.535 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.411 -7.719 -2.503 1.00 0.00 H new ATOM 446 N GLU A 31 12.254 -3.709 -3.333 1.00 0.00 N ATOM 447 CA GLU A 31 13.573 -3.198 -3.677 1.00 0.00 C ATOM 448 C GLU A 31 14.472 -4.377 -4.068 1.00 0.00 C ATOM 449 O GLU A 31 14.907 -5.125 -3.195 1.00 0.00 O ATOM 450 CB GLU A 31 14.162 -2.411 -2.492 1.00 0.00 C ATOM 451 CG GLU A 31 15.295 -1.479 -2.949 1.00 0.00 C ATOM 452 CD GLU A 31 15.999 -0.790 -1.784 1.00 0.00 C ATOM 453 OE1 GLU A 31 15.489 -0.899 -0.648 1.00 0.00 O ATOM 454 OE2 GLU A 31 17.050 -0.170 -2.054 1.00 0.00 O ATOM 0 H GLU A 31 12.245 -4.707 -3.122 1.00 0.00 H new ATOM 0 HA GLU A 31 13.502 -2.513 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.376 -1.825 -2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.540 -3.106 -1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.024 -2.054 -3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.889 -0.723 -3.621 1.00 0.00 H new ATOM 461 N GLY A 32 14.738 -4.562 -5.362 1.00 0.00 N ATOM 462 CA GLY A 32 15.748 -5.488 -5.858 1.00 0.00 C ATOM 463 C GLY A 32 15.389 -6.946 -5.576 1.00 0.00 C ATOM 464 O GLY A 32 15.883 -7.530 -4.616 1.00 0.00 O ATOM 0 H GLY A 32 14.248 -4.063 -6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.870 -5.348 -6.932 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.708 -5.257 -5.396 1.00 0.00 H new ATOM 468 N THR A 33 14.560 -7.534 -6.447 1.00 0.00 N ATOM 469 CA THR A 33 14.090 -8.914 -6.383 1.00 0.00 C ATOM 470 C THR A 33 13.030 -9.061 -5.280 1.00 0.00 C ATOM 471 O THR A 33 13.371 -9.224 -4.111 1.00 0.00 O ATOM 472 CB THR A 33 15.257 -9.907 -6.233 1.00 0.00 C ATOM 473 OG1 THR A 33 16.233 -9.650 -7.225 1.00 0.00 O ATOM 474 CG2 THR A 33 14.787 -11.358 -6.384 1.00 0.00 C ATOM 0 H THR A 33 14.184 -7.033 -7.252 1.00 0.00 H new ATOM 0 HA THR A 33 13.611 -9.166 -7.329 1.00 0.00 H new ATOM 0 HB THR A 33 15.674 -9.773 -5.235 1.00 0.00 H new ATOM 0 HG1 THR A 33 16.975 -10.283 -7.126 1.00 0.00 H new ATOM 0 HG21 THR A 33 15.638 -12.030 -6.272 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.045 -11.582 -5.618 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.343 -11.496 -7.370 1.00 0.00 H new ATOM 482 N PRO A 34 11.733 -8.990 -5.624 1.00 0.00 N ATOM 483 CA PRO A 34 10.663 -9.027 -4.643 1.00 0.00 C ATOM 484 C PRO A 34 10.501 -10.439 -4.069 1.00 0.00 C ATOM 485 O PRO A 34 10.972 -11.413 -4.652 1.00 0.00 O ATOM 486 CB PRO A 34 9.415 -8.579 -5.404 1.00 0.00 C ATOM 487 CG PRO A 34 9.683 -9.085 -6.818 1.00 0.00 C ATOM 488 CD PRO A 34 11.191 -8.897 -6.970 1.00 0.00 C ATOM 0 HA PRO A 34 10.861 -8.381 -3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.508 -9.013 -4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.292 -7.496 -5.378 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.393 -10.129 -6.935 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.128 -8.515 -7.563 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.618 -9.662 -7.619 1.00 0.00 H new ATOM 0 HD3 PRO A 34 11.423 -7.932 -7.420 1.00 0.00 H new ATOM 496 N ALA A 35 9.813 -10.539 -2.928 1.00 0.00 N ATOM 497 CA ALA A 35 9.605 -11.800 -2.221 1.00 0.00 C ATOM 498 C ALA A 35 8.272 -11.798 -1.480 1.00 0.00 C ATOM 499 O ALA A 35 7.486 -12.732 -1.600 1.00 0.00 O ATOM 500 CB ALA A 35 10.775 -12.051 -1.264 1.00 0.00 C ATOM 0 H ALA A 35 9.382 -9.738 -2.467 1.00 0.00 H new ATOM 0 HA ALA A 35 9.568 -12.612 -2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.619 -12.992 -0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.704 -12.103 -1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.836 -11.237 -0.542 1.00 0.00 H new ATOM 506 N LYS A 36 8.060 -10.740 -0.702 1.00 0.00 N ATOM 507 CA LYS A 36 6.938 -10.401 0.157 1.00 0.00 C ATOM 508 C LYS A 36 7.246 -9.041 0.798 1.00 0.00 C ATOM 509 O LYS A 36 8.366 -8.556 0.639 1.00 0.00 O ATOM 510 CB LYS A 36 6.735 -11.504 1.195 1.00 0.00 C ATOM 511 CG LYS A 36 7.922 -11.680 2.153 1.00 0.00 C ATOM 512 CD LYS A 36 7.515 -11.352 3.594 1.00 0.00 C ATOM 513 CE LYS A 36 6.606 -12.409 4.246 1.00 0.00 C ATOM 514 NZ LYS A 36 7.303 -13.690 4.493 1.00 0.00 N ATOM 0 H LYS A 36 8.767 -10.007 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 36 6.007 -10.325 -0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.840 -11.282 1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.554 -12.447 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.289 -12.705 2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.742 -11.031 1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.415 -11.240 4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.002 -10.390 3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.224 -12.021 5.190 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.744 -12.587 3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.671 -14.335 5.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.571 -14.120 3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.158 -13.517 5.059 1.00 0.00 H new ATOM 528 N ILE A 37 6.282 -8.447 1.514 1.00 0.00 N ATOM 529 CA ILE A 37 6.466 -7.205 2.285 1.00 0.00 C ATOM 530 C ILE A 37 6.129 -7.351 3.774 1.00 0.00 C ATOM 531 O ILE A 37 6.624 -6.589 4.601 1.00 0.00 O ATOM 532 CB ILE A 37 5.795 -5.999 1.585 1.00 0.00 C ATOM 533 CG1 ILE A 37 6.429 -5.828 0.190 1.00 0.00 C ATOM 534 CG2 ILE A 37 5.922 -4.702 2.404 1.00 0.00 C ATOM 535 CD1 ILE A 37 6.080 -4.521 -0.528 1.00 0.00 C ATOM 0 H ILE A 37 5.335 -8.821 1.576 1.00 0.00 H new ATOM 0 HA ILE A 37 7.534 -6.987 2.291 1.00 0.00 H new ATOM 0 HB ILE A 37 4.728 -6.200 1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.513 -5.891 0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.118 -6.663 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.435 -3.886 1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.445 -4.836 3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.976 -4.464 2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.574 -4.496 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.001 -4.460 -0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.417 -3.675 0.072 1.00 0.00 H new ATOM 547 N ALA A 38 5.339 -8.365 4.118 1.00 0.00 N ATOM 548 CA ALA A 38 4.939 -8.711 5.478 1.00 0.00 C ATOM 549 C ALA A 38 4.027 -7.626 6.038 1.00 0.00 C ATOM 550 O ALA A 38 4.345 -6.976 7.036 1.00 0.00 O ATOM 551 CB ALA A 38 6.150 -8.998 6.381 1.00 0.00 C ATOM 0 H ALA A 38 4.942 -8.997 3.423 1.00 0.00 H new ATOM 0 HA ALA A 38 4.373 -9.642 5.450 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.805 -9.251 7.383 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.719 -9.833 5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.786 -8.114 6.429 1.00 0.00 H new ATOM 557 N ILE A 39 2.888 -7.429 5.376 1.00 0.00 N ATOM 558 CA ILE A 39 1.850 -6.541 5.870 1.00 0.00 C ATOM 559 C ILE A 39 0.955 -7.274 6.876 1.00 0.00 C ATOM 560 O ILE A 39 0.891 -8.502 6.889 1.00 0.00 O ATOM 561 CB ILE A 39 1.131 -5.886 4.679 1.00 0.00 C ATOM 562 CG1 ILE A 39 2.113 -4.865 4.073 1.00 0.00 C ATOM 563 CG2 ILE A 39 -0.211 -5.267 5.080 1.00 0.00 C ATOM 564 CD1 ILE A 39 1.488 -3.907 3.065 1.00 0.00 C ATOM 0 H ILE A 39 2.664 -7.879 4.489 1.00 0.00 H new ATOM 0 HA ILE A 39 2.270 -5.714 6.442 1.00 0.00 H new ATOM 0 HB ILE A 39 0.865 -6.632 3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.557 -4.283 4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.925 -5.406 3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.680 -4.817 4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.863 -6.042 5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.046 -4.501 5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.251 -3.225 2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.070 -4.475 2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.696 -3.335 3.549 1.00 0.00 H new ATOM 576 N ASP A 40 0.351 -6.483 7.771 1.00 0.00 N ATOM 577 CA ASP A 40 -0.383 -6.897 8.961 1.00 0.00 C ATOM 578 C ASP A 40 -0.894 -5.610 9.629 1.00 0.00 C ATOM 579 O ASP A 40 -1.993 -5.139 9.356 1.00 0.00 O ATOM 580 CB ASP A 40 0.548 -7.745 9.858 1.00 0.00 C ATOM 581 CG ASP A 40 0.208 -7.688 11.341 1.00 0.00 C ATOM 582 OD1 ASP A 40 -0.761 -8.355 11.753 1.00 0.00 O ATOM 583 OD2 ASP A 40 0.920 -6.907 12.013 1.00 0.00 O ATOM 0 H ASP A 40 0.366 -5.468 7.671 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.241 -7.532 8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.507 -8.783 9.527 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.575 -7.407 9.719 1.00 0.00 H new ATOM 588 N LYS A 41 -0.054 -4.986 10.450 1.00 0.00 N ATOM 589 CA LYS A 41 -0.357 -3.810 11.249 1.00 0.00 C ATOM 590 C LYS A 41 0.968 -3.140 11.662 1.00 0.00 C ATOM 591 O LYS A 41 1.002 -2.307 12.567 1.00 0.00 O ATOM 592 CB LYS A 41 -1.243 -4.273 12.425 1.00 0.00 C ATOM 593 CG LYS A 41 -1.645 -3.186 13.433 1.00 0.00 C ATOM 594 CD LYS A 41 -0.876 -3.384 14.749 1.00 0.00 C ATOM 595 CE LYS A 41 -0.908 -2.137 15.641 1.00 0.00 C ATOM 596 NZ LYS A 41 -2.284 -1.731 15.989 1.00 0.00 N ATOM 0 H LYS A 41 0.906 -5.306 10.580 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.916 -3.048 10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.151 -4.716 12.017 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.717 -5.062 12.962 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.432 -2.199 13.022 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.718 -3.229 13.619 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.303 -4.227 15.293 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.160 -3.641 14.526 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.347 -2.333 16.555 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.407 -1.315 15.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.253 -0.926 16.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.793 -1.453 15.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.777 -2.528 16.440 1.00 0.00 H new ATOM 610 N LYS A 42 2.064 -3.480 10.968 1.00 0.00 N ATOM 611 CA LYS A 42 3.396 -2.946 11.181 1.00 0.00 C ATOM 612 C LYS A 42 3.795 -2.199 9.908 1.00 0.00 C ATOM 613 O LYS A 42 3.556 -0.999 9.813 1.00 0.00 O ATOM 614 CB LYS A 42 4.344 -4.103 11.555 1.00 0.00 C ATOM 615 CG LYS A 42 5.818 -3.690 11.736 1.00 0.00 C ATOM 616 CD LYS A 42 6.258 -3.617 13.206 1.00 0.00 C ATOM 617 CE LYS A 42 5.528 -2.514 13.988 1.00 0.00 C ATOM 618 NZ LYS A 42 6.052 -2.379 15.363 1.00 0.00 N ATOM 0 H LYS A 42 2.033 -4.165 10.213 1.00 0.00 H new ATOM 0 HA LYS A 42 3.444 -2.238 12.009 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.992 -4.560 12.480 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.287 -4.867 10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.454 -4.402 11.210 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.974 -2.717 11.269 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.074 -4.579 13.685 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.332 -3.439 13.251 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.635 -1.565 13.463 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.462 -2.739 14.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.535 -1.625 15.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.927 -3.277 15.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.063 -2.139 15.327 1.00 0.00 H new ATOM 632 N SER A 43 4.385 -2.903 8.935 1.00 0.00 N ATOM 633 CA SER A 43 5.011 -2.321 7.750 1.00 0.00 C ATOM 634 C SER A 43 4.102 -1.266 7.102 1.00 0.00 C ATOM 635 O SER A 43 4.483 -0.095 6.974 1.00 0.00 O ATOM 636 CB SER A 43 5.406 -3.458 6.789 1.00 0.00 C ATOM 637 OG SER A 43 6.282 -2.986 5.790 1.00 0.00 O ATOM 0 H SER A 43 4.440 -3.921 8.954 1.00 0.00 H new ATOM 0 HA SER A 43 5.919 -1.786 8.029 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.884 -4.263 7.347 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.512 -3.877 6.327 1.00 0.00 H new ATOM 0 HG SER A 43 6.523 -3.723 5.191 1.00 0.00 H new ATOM 643 N ALA A 44 2.871 -1.688 6.765 1.00 0.00 N ATOM 644 CA ALA A 44 1.754 -0.875 6.265 1.00 0.00 C ATOM 645 C ALA A 44 1.722 0.515 6.895 1.00 0.00 C ATOM 646 O ALA A 44 1.562 1.550 6.255 1.00 0.00 O ATOM 647 CB ALA A 44 0.456 -1.613 6.607 1.00 0.00 C ATOM 0 H ALA A 44 2.615 -2.672 6.841 1.00 0.00 H new ATOM 0 HA ALA A 44 1.873 -0.738 5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.396 -1.035 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.457 -2.592 6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.382 -1.737 7.687 1.00 0.00 H new ATOM 653 N HIS A 45 1.864 0.506 8.203 1.00 0.00 N ATOM 654 CA HIS A 45 1.566 1.623 9.073 1.00 0.00 C ATOM 655 C HIS A 45 2.832 2.300 9.575 1.00 0.00 C ATOM 656 O HIS A 45 2.768 3.128 10.485 1.00 0.00 O ATOM 657 CB HIS A 45 0.682 1.098 10.197 1.00 0.00 C ATOM 658 CG HIS A 45 -0.775 1.428 9.987 1.00 0.00 C ATOM 659 ND1 HIS A 45 -1.520 2.139 10.887 1.00 0.00 N ATOM 660 CD2 HIS A 45 -1.578 1.140 8.906 1.00 0.00 C ATOM 661 CE1 HIS A 45 -2.749 2.262 10.376 1.00 0.00 C ATOM 662 NE2 HIS A 45 -2.851 1.676 9.168 1.00 0.00 N ATOM 0 H HIS A 45 2.204 -0.312 8.709 1.00 0.00 H new ATOM 0 HA HIS A 45 1.033 2.404 8.530 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.799 0.017 10.273 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.014 1.522 11.145 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.283 0.600 8.018 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -3.562 2.770 10.872 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -3.676 1.631 8.570 1.00 0.00 H new ATOM 670 N LYS A 46 3.963 1.967 8.961 1.00 0.00 N ATOM 671 CA LYS A 46 5.266 2.455 9.357 1.00 0.00 C ATOM 672 C LYS A 46 5.847 3.253 8.196 1.00 0.00 C ATOM 673 O LYS A 46 6.125 4.442 8.348 1.00 0.00 O ATOM 674 CB LYS A 46 6.114 1.245 9.761 1.00 0.00 C ATOM 675 CG LYS A 46 7.282 1.599 10.682 1.00 0.00 C ATOM 676 CD LYS A 46 8.351 2.475 10.015 1.00 0.00 C ATOM 677 CE LYS A 46 8.255 3.969 10.387 1.00 0.00 C ATOM 678 NZ LYS A 46 8.636 4.846 9.260 1.00 0.00 N ATOM 0 H LYS A 46 3.993 1.337 8.159 1.00 0.00 H new ATOM 0 HA LYS A 46 5.228 3.126 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.477 0.515 10.260 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.503 0.767 8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.896 2.117 11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.747 0.678 11.034 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.337 2.104 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.267 2.374 8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.236 4.200 10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.903 4.173 11.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.838 5.802 9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.484 4.464 8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.855 4.890 8.575 1.00 0.00 H new ATOM 692 N ASP A 47 6.038 2.578 7.059 1.00 0.00 N ATOM 693 CA ASP A 47 6.505 3.167 5.805 1.00 0.00 C ATOM 694 C ASP A 47 5.785 2.598 4.573 1.00 0.00 C ATOM 695 O ASP A 47 5.787 3.235 3.523 1.00 0.00 O ATOM 696 CB ASP A 47 8.026 2.984 5.658 1.00 0.00 C ATOM 697 CG ASP A 47 8.819 3.904 6.572 1.00 0.00 C ATOM 698 OD1 ASP A 47 8.475 5.099 6.666 1.00 0.00 O ATOM 699 OD2 ASP A 47 9.677 3.411 7.336 1.00 0.00 O ATOM 0 H ASP A 47 5.866 1.575 6.986 1.00 0.00 H new ATOM 0 HA ASP A 47 6.267 4.230 5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.286 1.948 5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.312 3.172 4.623 1.00 0.00 H new ATOM 704 N ALA A 48 5.196 1.400 4.649 1.00 0.00 N ATOM 705 CA ALA A 48 4.757 0.687 3.464 1.00 0.00 C ATOM 706 C ALA A 48 3.500 1.301 2.854 1.00 0.00 C ATOM 707 O ALA A 48 3.452 1.479 1.639 1.00 0.00 O ATOM 708 CB ALA A 48 4.535 -0.776 3.826 1.00 0.00 C ATOM 0 H ALA A 48 5.016 0.910 5.525 1.00 0.00 H new ATOM 0 HA ALA A 48 5.533 0.765 2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.205 -1.323 2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.468 -1.206 4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.774 -0.847 4.603 1.00 0.00 H new ATOM 714 N CYS A 49 2.476 1.588 3.671 1.00 0.00 N ATOM 715 CA CYS A 49 1.226 2.155 3.183 1.00 0.00 C ATOM 716 C CYS A 49 1.153 3.657 3.484 1.00 0.00 C ATOM 717 O CYS A 49 1.372 4.460 2.574 1.00 0.00 O ATOM 718 CB CYS A 49 -0.014 1.373 3.568 1.00 0.00 C ATOM 719 SG CYS A 49 -0.108 -0.351 2.996 1.00 0.00 S ATOM 0 H CYS A 49 2.497 1.433 4.679 1.00 0.00 H new ATOM 0 HA CYS A 49 1.237 2.052 2.098 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.093 1.375 4.655 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.884 1.906 3.185 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.221 -0.884 3.405 1.00 0.00 H new ATOM 724 N LYS A 50 0.814 4.079 4.714 1.00 0.00 N ATOM 725 CA LYS A 50 0.634 5.494 5.038 1.00 0.00 C ATOM 726 C LYS A 50 1.963 6.269 5.084 1.00 0.00 C ATOM 727 O LYS A 50 2.359 6.750 6.144 1.00 0.00 O ATOM 728 CB LYS A 50 -0.150 5.627 6.357 1.00 0.00 C ATOM 729 CG LYS A 50 0.460 4.766 7.473 1.00 0.00 C ATOM 730 CD LYS A 50 0.644 5.517 8.797 1.00 0.00 C ATOM 731 CE LYS A 50 -0.691 5.795 9.498 1.00 0.00 C ATOM 732 NZ LYS A 50 -0.479 6.413 10.823 1.00 0.00 N ATOM 0 H LYS A 50 0.659 3.450 5.502 1.00 0.00 H new ATOM 0 HA LYS A 50 0.057 5.950 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.162 6.671 6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.186 5.331 6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.179 3.899 7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.427 4.389 7.142 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.284 4.933 9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.157 6.460 8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.299 6.454 8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.246 4.864 9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.399 6.590 11.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.082 5.772 11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.030 7.313 10.709 1.00 0.00 H new ATOM 746 N THR A 51 2.640 6.422 3.944 1.00 0.00 N ATOM 747 CA THR A 51 3.835 7.248 3.781 1.00 0.00 C ATOM 748 C THR A 51 3.944 7.705 2.324 1.00 0.00 C ATOM 749 O THR A 51 3.810 8.899 2.073 1.00 0.00 O ATOM 750 CB THR A 51 5.080 6.517 4.305 1.00 0.00 C ATOM 751 OG1 THR A 51 5.056 6.516 5.718 1.00 0.00 O ATOM 752 CG2 THR A 51 6.400 7.165 3.880 1.00 0.00 C ATOM 0 H THR A 51 2.360 5.958 3.080 1.00 0.00 H new ATOM 0 HA THR A 51 3.757 8.150 4.387 1.00 0.00 H new ATOM 0 HB THR A 51 5.041 5.514 3.880 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.155 6.741 6.030 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.234 6.593 4.288 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.466 7.177 2.792 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.442 8.187 4.257 1.00 0.00 H new ATOM 760 N CYS A 52 4.116 6.789 1.358 1.00 0.00 N ATOM 761 CA CYS A 52 4.137 7.145 -0.068 1.00 0.00 C ATOM 762 C CYS A 52 2.924 8.006 -0.418 1.00 0.00 C ATOM 763 O CYS A 52 3.031 9.022 -1.102 1.00 0.00 O ATOM 764 CB CYS A 52 4.134 5.906 -0.924 1.00 0.00 C ATOM 765 SG CYS A 52 3.976 6.378 -2.686 1.00 0.00 S ATOM 0 H CYS A 52 4.243 5.793 1.540 1.00 0.00 H new ATOM 0 HA CYS A 52 5.049 7.710 -0.262 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.054 5.342 -0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.309 5.255 -0.636 1.00 0.00 H new ATOM 0 HG CYS A 52 3.976 5.308 -3.424 1.00 0.00 H new ATOM 770 N HIS A 53 1.768 7.602 0.108 1.00 0.00 N ATOM 771 CA HIS A 53 0.517 8.317 -0.044 1.00 0.00 C ATOM 772 C HIS A 53 0.608 9.801 0.327 1.00 0.00 C ATOM 773 O HIS A 53 -0.059 10.619 -0.304 1.00 0.00 O ATOM 774 CB HIS A 53 -0.588 7.586 0.727 1.00 0.00 C ATOM 775 CG HIS A 53 -1.271 6.506 -0.072 1.00 0.00 C ATOM 776 ND1 HIS A 53 -2.629 6.426 -0.260 1.00 0.00 N ATOM 777 CD2 HIS A 53 -0.688 5.526 -0.837 1.00 0.00 C ATOM 778 CE1 HIS A 53 -2.858 5.426 -1.117 1.00 0.00 C ATOM 779 NE2 HIS A 53 -1.710 4.845 -1.516 1.00 0.00 N ATOM 0 H HIS A 53 1.681 6.750 0.662 1.00 0.00 H new ATOM 0 HA HIS A 53 0.265 8.319 -1.104 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.160 7.144 1.627 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.333 8.312 1.052 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.369 5.317 -0.904 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.840 5.122 -1.448 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.606 4.072 -2.174 1.00 0.00 H new ATOM 787 N LYS A 54 1.416 10.167 1.327 1.00 0.00 N ATOM 788 CA LYS A 54 1.586 11.553 1.740 1.00 0.00 C ATOM 789 C LYS A 54 2.522 12.235 0.750 1.00 0.00 C ATOM 790 O LYS A 54 3.673 12.551 1.043 1.00 0.00 O ATOM 791 CB LYS A 54 2.050 11.649 3.200 1.00 0.00 C ATOM 792 CG LYS A 54 0.870 11.345 4.129 1.00 0.00 C ATOM 793 CD LYS A 54 1.217 11.616 5.599 1.00 0.00 C ATOM 794 CE LYS A 54 -0.032 11.986 6.414 1.00 0.00 C ATOM 795 NZ LYS A 54 -0.582 13.307 6.032 1.00 0.00 N ATOM 0 H LYS A 54 1.969 9.505 1.871 1.00 0.00 H new ATOM 0 HA LYS A 54 0.632 12.080 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.862 10.945 3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.441 12.646 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.013 11.954 3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.574 10.302 4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.687 10.733 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.945 12.425 5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.796 11.222 6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.218 11.992 7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.186 13.666 6.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.199 13.973 5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.146 13.210 5.164 1.00 0.00 H new ATOM 809 N SER A 55 1.976 12.441 -0.443 1.00 0.00 N ATOM 810 CA SER A 55 2.619 12.997 -1.606 1.00 0.00 C ATOM 811 C SER A 55 1.482 13.582 -2.444 1.00 0.00 C ATOM 812 O SER A 55 0.672 14.358 -1.942 1.00 0.00 O ATOM 813 CB SER A 55 3.406 11.868 -2.296 1.00 0.00 C ATOM 814 OG SER A 55 3.973 12.292 -3.522 1.00 0.00 O ATOM 0 H SER A 55 1.001 12.203 -0.626 1.00 0.00 H new ATOM 0 HA SER A 55 3.345 13.785 -1.404 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.197 11.519 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.744 11.021 -2.476 1.00 0.00 H new ATOM 0 HG SER A 55 4.466 11.549 -3.929 1.00 0.00 H new ATOM 820 N ASN A 56 1.383 13.169 -3.704 1.00 0.00 N ATOM 821 CA ASN A 56 0.373 13.663 -4.635 1.00 0.00 C ATOM 822 C ASN A 56 -1.001 13.044 -4.347 1.00 0.00 C ATOM 823 O ASN A 56 -2.029 13.620 -4.696 1.00 0.00 O ATOM 824 CB ASN A 56 0.824 13.368 -6.074 1.00 0.00 C ATOM 825 CG ASN A 56 0.247 14.327 -7.119 1.00 0.00 C ATOM 826 OD1 ASN A 56 0.967 14.770 -8.006 1.00 0.00 O ATOM 827 ND2 ASN A 56 -1.037 14.667 -7.054 1.00 0.00 N ATOM 0 H ASN A 56 2.009 12.474 -4.112 1.00 0.00 H new ATOM 0 HA ASN A 56 0.269 14.740 -4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.912 13.411 -6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.535 12.349 -6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.432 15.303 -7.747 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.627 14.292 -6.311 1.00 0.00 H new ATOM 834 N ASN A 57 -1.022 11.832 -3.789 1.00 0.00 N ATOM 835 CA ASN A 57 -2.211 10.988 -3.727 1.00 0.00 C ATOM 836 C ASN A 57 -3.331 11.652 -2.926 1.00 0.00 C ATOM 837 O ASN A 57 -3.187 11.869 -1.726 1.00 0.00 O ATOM 838 CB ASN A 57 -1.905 9.623 -3.088 1.00 0.00 C ATOM 839 CG ASN A 57 -0.687 8.897 -3.649 1.00 0.00 C ATOM 840 OD1 ASN A 57 0.133 9.456 -4.373 1.00 0.00 O ATOM 841 ND2 ASN A 57 -0.532 7.636 -3.275 1.00 0.00 N ATOM 0 H ASN A 57 -0.200 11.405 -3.362 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.534 10.844 -4.758 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.760 9.766 -2.017 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.777 8.981 -3.209 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.282 7.107 -3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.227 7.193 -2.673 1.00 0.00 H new ATOM 848 N GLY A 58 -4.480 11.893 -3.563 1.00 0.00 N ATOM 849 CA GLY A 58 -5.707 12.303 -2.891 1.00 0.00 C ATOM 850 C GLY A 58 -6.013 11.482 -1.628 1.00 0.00 C ATOM 851 O GLY A 58 -6.145 12.057 -0.545 1.00 0.00 O ATOM 0 H GLY A 58 -4.581 11.806 -4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.631 13.356 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.542 12.212 -3.586 1.00 0.00 H new ATOM 905 N CYS A 62 -6.687 9.293 5.762 1.00 0.00 N ATOM 906 CA CYS A 62 -7.242 8.269 6.640 1.00 0.00 C ATOM 907 C CYS A 62 -8.495 7.611 6.056 1.00 0.00 C ATOM 908 O CYS A 62 -8.470 6.426 5.720 1.00 0.00 O ATOM 909 CB CYS A 62 -7.375 8.810 8.052 1.00 0.00 C ATOM 910 SG CYS A 62 -7.448 7.502 9.309 1.00 0.00 S ATOM 0 HA CYS A 62 -6.544 7.434 6.711 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.530 9.465 8.265 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -8.276 9.420 8.118 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.559 8.039 10.488 1.00 0.00 H new ATOM 915 N GLY A 63 -9.541 8.398 5.809 1.00 0.00 N ATOM 916 CA GLY A 63 -10.551 8.056 4.821 1.00 0.00 C ATOM 917 C GLY A 63 -9.897 8.078 3.440 1.00 0.00 C ATOM 918 O GLY A 63 -9.955 9.086 2.737 1.00 0.00 O ATOM 0 H GLY A 63 -9.708 9.284 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.967 7.070 5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.377 8.766 4.861 1.00 0.00 H new ATOM 922 N GLY A 64 -9.225 6.982 3.082 1.00 0.00 N ATOM 923 CA GLY A 64 -8.555 6.818 1.803 1.00 0.00 C ATOM 924 C GLY A 64 -8.407 5.337 1.460 1.00 0.00 C ATOM 925 O GLY A 64 -9.097 4.831 0.581 1.00 0.00 O ATOM 0 H GLY A 64 -9.133 6.169 3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.123 7.323 1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.573 7.289 1.838 1.00 0.00 H new ATOM 929 N CYS A 65 -7.492 4.648 2.147 1.00 0.00 N ATOM 930 CA CYS A 65 -7.229 3.230 1.915 1.00 0.00 C ATOM 931 C CYS A 65 -8.385 2.409 2.466 1.00 0.00 C ATOM 932 O CYS A 65 -9.017 1.626 1.760 1.00 0.00 O ATOM 933 CB CYS A 65 -5.952 2.829 2.603 1.00 0.00 C ATOM 934 SG CYS A 65 -4.559 3.630 1.797 1.00 0.00 S ATOM 0 H CYS A 65 -6.914 5.060 2.879 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.129 3.050 0.845 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -5.989 3.112 3.655 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -5.832 1.746 2.568 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.456 3.285 2.393 1.00 0.00 H new ATOM 939 N HIS A 66 -8.633 2.601 3.759 1.00 0.00 N ATOM 940 CA HIS A 66 -9.766 2.039 4.454 1.00 0.00 C ATOM 941 C HIS A 66 -11.024 2.725 3.936 1.00 0.00 C ATOM 942 O HIS A 66 -11.085 3.958 3.923 1.00 0.00 O ATOM 943 CB HIS A 66 -9.592 2.284 5.957 1.00 0.00 C ATOM 944 CG HIS A 66 -8.383 1.584 6.522 1.00 0.00 C ATOM 945 ND1 HIS A 66 -8.349 0.281 6.956 1.00 0.00 N ATOM 946 CD2 HIS A 66 -7.161 2.146 6.779 1.00 0.00 C ATOM 947 CE1 HIS A 66 -7.128 0.067 7.480 1.00 0.00 C ATOM 948 NE2 HIS A 66 -6.369 1.177 7.405 1.00 0.00 N ATOM 0 H HIS A 66 -8.032 3.167 4.358 1.00 0.00 H new ATOM 0 HA HIS A 66 -9.844 0.965 4.283 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.505 3.355 6.139 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.484 1.943 6.483 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -9.108 -0.398 6.893 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.862 3.156 6.541 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.800 -0.871 7.904 1.00 0.00 H new ATOM 956 N ILE A 67 -12.036 1.948 3.542 1.00 0.00 N ATOM 957 CA ILE A 67 -13.349 2.451 3.218 1.00 0.00 C ATOM 958 C ILE A 67 -14.030 2.899 4.523 1.00 0.00 C ATOM 959 O ILE A 67 -14.894 2.219 5.068 1.00 0.00 O ATOM 960 CB ILE A 67 -14.089 1.385 2.382 1.00 0.00 C ATOM 961 CG1 ILE A 67 -15.440 1.956 1.969 1.00 0.00 C ATOM 962 CG2 ILE A 67 -14.258 0.008 3.051 1.00 0.00 C ATOM 963 CD1 ILE A 67 -16.063 1.246 0.763 1.00 0.00 C ATOM 0 H ILE A 67 -11.952 0.936 3.441 1.00 0.00 H new ATOM 0 HA ILE A 67 -13.335 3.340 2.587 1.00 0.00 H new ATOM 0 HB ILE A 67 -13.456 1.175 1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -16.126 1.890 2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -15.322 3.014 1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -14.790 -0.662 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -13.277 -0.410 3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -14.826 0.119 3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -17.023 1.706 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -15.397 1.334 -0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -16.214 0.193 0.999 1.00 0.00 H new ATOM 975 N LYS A 68 -13.557 4.028 5.057 1.00 0.00 N ATOM 976 CA LYS A 68 -13.924 4.542 6.362 1.00 0.00 C ATOM 977 C LYS A 68 -15.231 5.331 6.246 1.00 0.00 C ATOM 978 O LYS A 68 -15.195 6.435 5.667 1.00 0.00 O ATOM 979 CB LYS A 68 -12.761 5.403 6.893 1.00 0.00 C ATOM 980 CG LYS A 68 -12.730 5.641 8.412 1.00 0.00 C ATOM 981 CD LYS A 68 -13.976 6.360 8.956 1.00 0.00 C ATOM 982 CE LYS A 68 -15.016 5.373 9.520 1.00 0.00 C ATOM 983 NZ LYS A 68 -16.403 5.793 9.228 1.00 0.00 N ATOM 984 OXT LYS A 68 -16.239 4.875 6.831 1.00 0.00 O ATOM 0 H LYS A 68 -12.887 4.623 4.570 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.097 3.733 7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.823 4.930 6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.797 6.372 6.395 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.627 4.681 8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.846 6.229 8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.678 7.058 9.738 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.431 6.949 8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.842 4.384 9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.884 5.286 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.045 5.387 9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.465 6.831 9.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.675 5.457 8.282 1.00 0.00 H new