USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 691 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 62 THR OG1 : rot -63:sc= 1.75 USER MOD Set 1.2: A 81 CYS SG : rot -90:sc= -1.44 USER MOD Set 1.3: A 95 CYS SG : rot -132:sc= 0.766 USER MOD Set 2.1: A 48 ASN :FLIP amide:sc= -0.353 F(o=-9,f=-8.5) USER MOD Set 2.2: A 73 ASN : amide:sc= -7.69! C(o=-8.5!,f=-9.6!) USER MOD Set 2.3: A 74 SER OG : rot 180:sc= -0.436 USER MOD Set 3.1: A 52 CYS SG : rot 95:sc= 0.542 USER MOD Set 3.2: A 56 ASN : amide:sc= -3.17! C(o=-5.7!,f=-7.9!) USER MOD Set 3.3: A 65 CYS SG : rot 141:sc= -3.08! USER MOD Set 4.1: A 51 THR OG1 : rot -74:sc= 0.148 USER MOD Set 4.2: A 67 ASN : amide:sc= -0.929 K(o=-0.78,f=-2.3!) USER MOD Set 5.1: A 32 CYS SG : rot 174:sc= 0.371 USER MOD Set 5.2: A 44 CYS SG : rot -82:sc= -5.63! USER MOD Set 5.3: A 55 ASN : amide:sc= -1.28 X(o=-6.5,f=-6.4) USER MOD Set 6.1: A 8 CYS SG : rot 164:sc= 0.796 USER MOD Set 6.2: A 20 CYS SG : rot 25:sc= 0.612 USER MOD Set 6.3: A 89 TYR OH : rot -112:sc= 0.264 USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.023 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= 2.3 (180deg=2.21) USER MOD Single : A 6 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-6.5!) USER MOD Single : A 11 THR OG1 : rot 15:sc= 0.812 USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00671) USER MOD Single : A 17 ASN : amide:sc= 0.544 K(o=0.54,f=-0.53) USER MOD Single : A 27 THR OG1 : rot 83:sc= 0.116 USER MOD Single : A 28 LYS NZ :NH3+ 142:sc= 1.23 (180deg=-0.0547!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 164:sc= -0.312 (180deg=-0.766) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 43 THR OG1 : rot -130:sc= -3.01! USER MOD Single : A 47 ASN : amide:sc= -2.73! C(o=-2.7!,f=-3.7!) USER MOD Single : A 49 ASN : amide:sc=-0.00344 K(o=-0.0034,f=-1) USER MOD Single : A 59 CYS SG : rot -155:sc= -7.26! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -2.47! C(o=-2.5!,f=-2.1!) USER MOD Single : A 70 SER OG : rot -164:sc= -0.555 USER MOD Single : A 71 THR OG1 : rot -36:sc= 0.305 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -143:sc=-0.00887 (180deg=-1.16) USER MOD Single : A 79 CYS SG : rot 70:sc= -2.98 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 15:sc= 1.59 USER MOD Single : A 87 ASN : amide:sc= -2.7! C(o=-2.7!,f=-13!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 151:sc= 0.935 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 98 SER OG : rot 19:sc= 1.12 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.241 -11.366 7.781 1.00 0.00 N ATOM 2 CA GLY A 1 -6.794 -11.176 6.421 1.00 0.00 C ATOM 3 C GLY A 1 -8.153 -10.512 6.451 1.00 0.00 C ATOM 4 O GLY A 1 -8.920 -10.692 7.394 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.758 -12.286 7.834 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.562 -10.606 7.989 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.014 -11.340 8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.107 -10.569 5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.873 -12.142 5.923 1.00 0.00 H new ATOM 10 N VAL A 2 -8.444 -9.732 5.419 1.00 0.00 N ATOM 11 CA VAL A 2 -9.708 -9.017 5.321 1.00 0.00 C ATOM 12 C VAL A 2 -10.294 -9.250 3.929 1.00 0.00 C ATOM 13 O VAL A 2 -9.770 -10.057 3.162 1.00 0.00 O ATOM 14 CB VAL A 2 -9.517 -7.490 5.561 1.00 0.00 C ATOM 15 CG1 VAL A 2 -10.839 -6.791 5.857 1.00 0.00 C ATOM 16 CG2 VAL A 2 -8.538 -7.234 6.691 1.00 0.00 C ATOM 0 H VAL A 2 -7.815 -9.578 4.631 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.385 -9.392 6.089 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.112 -7.075 4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.660 -5.728 6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.516 -6.921 5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.287 -7.223 6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.424 -6.160 6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.915 -7.687 7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.571 -7.671 6.441 1.00 0.00 H new ATOM 26 N ASP A 3 -11.375 -8.558 3.620 1.00 0.00 N ATOM 27 CA ASP A 3 -12.006 -8.623 2.318 1.00 0.00 C ATOM 28 C ASP A 3 -11.786 -7.321 1.569 1.00 0.00 C ATOM 29 O ASP A 3 -12.559 -6.404 1.700 1.00 0.00 O ATOM 30 CB ASP A 3 -13.510 -8.848 2.491 1.00 0.00 C ATOM 31 CG ASP A 3 -14.122 -7.937 3.541 1.00 0.00 C ATOM 32 OD1 ASP A 3 -14.034 -8.263 4.742 1.00 0.00 O ATOM 33 OD2 ASP A 3 -14.692 -6.896 3.177 1.00 0.00 O ATOM 0 H ASP A 3 -11.843 -7.930 4.273 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.568 -9.446 1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.010 -8.683 1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.688 -9.887 2.769 1.00 0.00 H new ATOM 38 N PRO A 4 -10.741 -7.253 0.755 1.00 0.00 N ATOM 39 CA PRO A 4 -10.408 -6.100 -0.093 1.00 0.00 C ATOM 40 C PRO A 4 -11.576 -5.317 -0.721 1.00 0.00 C ATOM 41 O PRO A 4 -11.389 -4.149 -1.012 1.00 0.00 O ATOM 42 CB PRO A 4 -9.598 -6.785 -1.183 1.00 0.00 C ATOM 43 CG PRO A 4 -8.866 -7.875 -0.501 1.00 0.00 C ATOM 44 CD PRO A 4 -9.668 -8.256 0.700 1.00 0.00 C ATOM 0 HA PRO A 4 -9.923 -5.321 0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.246 -7.177 -1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.909 -6.087 -1.659 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.739 -8.729 -1.166 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.868 -7.546 -0.210 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.071 -9.264 0.605 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -9.061 -8.239 1.605 1.00 0.00 H new ATOM 52 N LYS A 5 -12.751 -5.933 -0.896 1.00 0.00 N ATOM 53 CA LYS A 5 -13.958 -5.302 -1.522 1.00 0.00 C ATOM 54 C LYS A 5 -14.323 -3.873 -1.007 1.00 0.00 C ATOM 55 O LYS A 5 -15.362 -3.330 -1.366 1.00 0.00 O ATOM 56 CB LYS A 5 -15.152 -6.228 -1.325 1.00 0.00 C ATOM 57 CG LYS A 5 -15.543 -6.375 0.127 1.00 0.00 C ATOM 58 CD LYS A 5 -16.628 -5.376 0.512 1.00 0.00 C ATOM 59 CE LYS A 5 -17.598 -5.937 1.541 1.00 0.00 C ATOM 60 NZ LYS A 5 -17.046 -5.931 2.917 1.00 0.00 N ATOM 0 H LYS A 5 -12.910 -6.899 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.704 -5.165 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.002 -5.843 -1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.916 -7.210 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.898 -7.389 0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.667 -6.226 0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.162 -4.474 0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.180 -5.082 -0.381 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.518 -5.353 1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.862 -6.958 1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.516 -6.666 3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.024 -6.122 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.210 -5.001 3.353 1.00 0.00 H new ATOM 74 N HIS A 6 -13.478 -3.303 -0.169 1.00 0.00 N ATOM 75 CA HIS A 6 -13.652 -1.983 0.451 1.00 0.00 C ATOM 76 C HIS A 6 -13.702 -0.869 -0.587 1.00 0.00 C ATOM 77 O HIS A 6 -14.147 0.242 -0.294 1.00 0.00 O ATOM 78 CB HIS A 6 -12.454 -1.720 1.355 1.00 0.00 C ATOM 79 CG HIS A 6 -12.225 -2.704 2.455 1.00 0.00 C ATOM 80 ND1 HIS A 6 -11.354 -2.471 3.496 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.687 -3.951 2.636 1.00 0.00 C ATOM 82 CE1 HIS A 6 -11.292 -3.540 4.260 1.00 0.00 C ATOM 83 NE2 HIS A 6 -12.102 -4.449 3.768 1.00 0.00 N ATOM 0 H HIS A 6 -12.611 -3.759 0.117 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.593 -1.988 1.001 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.558 -1.686 0.735 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.571 -0.732 1.799 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.393 -4.468 2.003 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.679 -3.651 5.142 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.268 -5.374 4.165 1.00 0.00 H new ATOM 92 N VAL A 7 -13.227 -1.196 -1.785 1.00 0.00 N ATOM 93 CA VAL A 7 -13.187 -0.288 -2.950 1.00 0.00 C ATOM 94 C VAL A 7 -12.557 1.060 -2.650 1.00 0.00 C ATOM 95 O VAL A 7 -11.893 1.239 -1.635 1.00 0.00 O ATOM 96 CB VAL A 7 -14.595 -0.079 -3.578 1.00 0.00 C ATOM 97 CG1 VAL A 7 -15.320 -1.400 -3.708 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.445 0.900 -2.789 1.00 0.00 C ATOM 0 H VAL A 7 -12.847 -2.121 -1.988 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.546 -0.794 -3.672 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.436 0.350 -4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.303 -1.234 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.744 -2.070 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.436 -1.850 -2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.417 1.009 -3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.583 0.527 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.947 1.869 -2.754 1.00 0.00 H new ATOM 108 N CYS A 8 -12.674 1.961 -3.612 1.00 0.00 N ATOM 109 CA CYS A 8 -12.285 3.343 -3.431 1.00 0.00 C ATOM 110 C CYS A 8 -13.070 4.227 -4.388 1.00 0.00 C ATOM 111 O CYS A 8 -13.338 3.839 -5.524 1.00 0.00 O ATOM 112 CB CYS A 8 -10.781 3.498 -3.629 1.00 0.00 C ATOM 113 SG CYS A 8 -10.211 3.310 -5.338 1.00 0.00 S ATOM 0 H CYS A 8 -13.042 1.751 -4.540 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.517 3.656 -2.413 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.482 4.482 -3.268 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.270 2.762 -3.008 1.00 0.00 H new ATOM 0 HG CYS A 8 -9.011 3.796 -5.451 1.00 0.00 H new ATOM 119 N VAL A 9 -13.461 5.403 -3.918 1.00 0.00 N ATOM 120 CA VAL A 9 -14.297 6.293 -4.711 1.00 0.00 C ATOM 121 C VAL A 9 -13.688 7.686 -4.822 1.00 0.00 C ATOM 122 O VAL A 9 -13.543 8.234 -5.915 1.00 0.00 O ATOM 123 CB VAL A 9 -15.714 6.415 -4.102 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.539 7.463 -4.836 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.425 5.072 -4.119 1.00 0.00 C ATOM 0 H VAL A 9 -13.214 5.762 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.364 5.854 -5.707 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.604 6.735 -3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.530 7.527 -4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.045 8.432 -4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.634 7.182 -5.885 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.419 5.181 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.513 4.720 -5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.853 4.350 -3.536 1.00 0.00 H new ATOM 135 N ASP A 10 -13.331 8.253 -3.684 1.00 0.00 N ATOM 136 CA ASP A 10 -12.863 9.633 -3.634 1.00 0.00 C ATOM 137 C ASP A 10 -11.347 9.689 -3.618 1.00 0.00 C ATOM 138 O ASP A 10 -10.733 10.073 -4.608 1.00 0.00 O ATOM 139 CB ASP A 10 -13.435 10.342 -2.407 1.00 0.00 C ATOM 140 CG ASP A 10 -12.789 11.688 -2.150 1.00 0.00 C ATOM 141 OD1 ASP A 10 -13.231 12.693 -2.734 1.00 0.00 O ATOM 142 OD2 ASP A 10 -11.840 11.736 -1.340 1.00 0.00 O ATOM 0 H ASP A 10 -13.355 7.782 -2.780 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.213 10.146 -4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.508 10.479 -2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.301 9.707 -1.531 1.00 0.00 H new ATOM 147 N THR A 11 -10.756 9.300 -2.493 1.00 0.00 N ATOM 148 CA THR A 11 -9.302 9.250 -2.341 1.00 0.00 C ATOM 149 C THR A 11 -8.634 10.577 -2.729 1.00 0.00 C ATOM 150 O THR A 11 -7.579 10.603 -3.359 1.00 0.00 O ATOM 151 CB THR A 11 -8.698 8.058 -3.126 1.00 0.00 C ATOM 152 OG1 THR A 11 -9.012 8.129 -4.523 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.232 6.753 -2.553 1.00 0.00 C ATOM 0 H THR A 11 -11.269 9.010 -1.660 1.00 0.00 H new ATOM 0 HA THR A 11 -9.095 9.091 -1.283 1.00 0.00 H new ATOM 0 HB THR A 11 -7.614 8.102 -3.023 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.337 9.028 -4.740 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.808 5.913 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.953 6.676 -1.502 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.318 6.734 -2.642 1.00 0.00 H new ATOM 161 N ARG A 12 -9.270 11.681 -2.334 1.00 0.00 N ATOM 162 CA ARG A 12 -8.722 13.018 -2.557 1.00 0.00 C ATOM 163 C ARG A 12 -7.653 13.326 -1.518 1.00 0.00 C ATOM 164 O ARG A 12 -6.800 14.188 -1.711 1.00 0.00 O ATOM 165 CB ARG A 12 -9.830 14.056 -2.493 1.00 0.00 C ATOM 166 CG ARG A 12 -10.305 14.326 -1.093 1.00 0.00 C ATOM 167 CD ARG A 12 -11.281 15.479 -1.056 1.00 0.00 C ATOM 168 NE ARG A 12 -11.869 15.643 0.273 1.00 0.00 N ATOM 169 CZ ARG A 12 -12.331 16.795 0.757 1.00 0.00 C ATOM 170 NH1 ARG A 12 -12.332 17.887 0.003 1.00 0.00 N ATOM 171 NH2 ARG A 12 -12.817 16.842 1.990 1.00 0.00 N ATOM 0 H ARG A 12 -10.171 11.674 -1.855 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.268 13.051 -3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.474 14.986 -2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.672 13.718 -3.097 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.780 13.432 -0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.451 14.549 -0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.771 16.398 -1.345 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.072 15.311 -1.787 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.930 14.819 0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.978 17.847 -0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.687 18.766 0.379 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.836 15.999 2.563 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.172 17.722 2.365 1.00 0.00 H new ATOM 185 N ASP A 13 -7.725 12.608 -0.408 1.00 0.00 N ATOM 186 CA ASP A 13 -6.755 12.750 0.680 1.00 0.00 C ATOM 187 C ASP A 13 -5.466 12.017 0.337 1.00 0.00 C ATOM 188 O ASP A 13 -4.444 12.180 0.999 1.00 0.00 O ATOM 189 CB ASP A 13 -7.332 12.177 1.978 1.00 0.00 C ATOM 190 CG ASP A 13 -6.664 12.744 3.215 1.00 0.00 C ATOM 191 OD1 ASP A 13 -7.053 13.854 3.640 1.00 0.00 O ATOM 192 OD2 ASP A 13 -5.765 12.086 3.779 1.00 0.00 O ATOM 0 H ASP A 13 -8.451 11.913 -0.231 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.541 13.810 0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.401 12.386 2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.219 11.093 1.974 1.00 0.00 H new ATOM 197 N ILE A 14 -5.531 11.225 -0.723 1.00 0.00 N ATOM 198 CA ILE A 14 -4.453 10.320 -1.094 1.00 0.00 C ATOM 199 C ILE A 14 -3.306 11.073 -1.789 1.00 0.00 C ATOM 200 O ILE A 14 -3.462 11.598 -2.897 1.00 0.00 O ATOM 201 CB ILE A 14 -4.995 9.179 -1.997 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.757 8.106 -1.172 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.854 8.528 -2.780 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.811 8.631 -0.206 1.00 0.00 C ATOM 0 H ILE A 14 -6.334 11.192 -1.351 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.050 9.879 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.701 9.625 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.239 7.418 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.028 7.528 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.252 7.731 -3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.370 9.276 -3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.126 8.112 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.277 7.794 0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.341 9.293 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.571 9.182 -0.761 1.00 0.00 H new ATOM 216 N PRO A 15 -2.154 11.158 -1.102 1.00 0.00 N ATOM 217 CA PRO A 15 -0.952 11.868 -1.579 1.00 0.00 C ATOM 218 C PRO A 15 -0.214 11.197 -2.740 1.00 0.00 C ATOM 219 O PRO A 15 -0.598 10.132 -3.225 1.00 0.00 O ATOM 220 CB PRO A 15 -0.025 11.869 -0.362 1.00 0.00 C ATOM 221 CG PRO A 15 -0.862 11.464 0.794 1.00 0.00 C ATOM 222 CD PRO A 15 -1.961 10.617 0.248 1.00 0.00 C ATOM 0 HA PRO A 15 -1.243 12.846 -1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.805 11.177 -0.504 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.408 12.857 -0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.272 10.910 1.524 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.264 12.338 1.306 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.685 9.563 0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.868 10.696 0.848 1.00 0.00 H new ATOM 230 N LYS A 16 0.857 11.866 -3.172 1.00 0.00 N ATOM 231 CA LYS A 16 1.777 11.363 -4.177 1.00 0.00 C ATOM 232 C LYS A 16 2.458 10.077 -3.733 1.00 0.00 C ATOM 233 O LYS A 16 2.781 9.915 -2.552 1.00 0.00 O ATOM 234 CB LYS A 16 2.844 12.421 -4.434 1.00 0.00 C ATOM 235 CG LYS A 16 3.141 12.636 -5.891 1.00 0.00 C ATOM 236 CD LYS A 16 4.052 11.558 -6.447 1.00 0.00 C ATOM 237 CE LYS A 16 4.362 11.774 -7.919 1.00 0.00 C ATOM 238 NZ LYS A 16 3.189 11.505 -8.789 1.00 0.00 N ATOM 0 H LYS A 16 1.108 12.790 -2.822 1.00 0.00 H new ATOM 0 HA LYS A 16 1.207 11.147 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.521 13.365 -3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.762 12.130 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.208 12.649 -6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.608 13.612 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.983 11.542 -5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.582 10.583 -6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.696 12.801 -8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.186 11.124 -8.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.463 11.616 -9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.853 10.534 -8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.428 12.176 -8.562 1.00 0.00 H new ATOM 252 N ASN A 17 2.678 9.175 -4.697 1.00 0.00 N ATOM 253 CA ASN A 17 3.414 7.928 -4.471 1.00 0.00 C ATOM 254 C ASN A 17 2.669 7.037 -3.496 1.00 0.00 C ATOM 255 O ASN A 17 3.201 6.042 -2.995 1.00 0.00 O ATOM 256 CB ASN A 17 4.820 8.226 -3.954 1.00 0.00 C ATOM 257 CG ASN A 17 5.650 9.004 -4.950 1.00 0.00 C ATOM 258 OD1 ASN A 17 5.647 8.719 -6.150 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.330 10.026 -4.461 1.00 0.00 N ATOM 0 H ASN A 17 2.350 9.290 -5.656 1.00 0.00 H new ATOM 0 HA ASN A 17 3.498 7.401 -5.422 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.750 8.791 -3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.324 7.288 -3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.882 10.616 -5.084 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.303 10.225 -3.461 1.00 0.00 H new ATOM 266 N ALA A 18 1.433 7.405 -3.240 1.00 0.00 N ATOM 267 CA ALA A 18 0.587 6.673 -2.339 1.00 0.00 C ATOM 268 C ALA A 18 -0.567 6.066 -3.112 1.00 0.00 C ATOM 269 O ALA A 18 -1.166 6.716 -3.967 1.00 0.00 O ATOM 270 CB ALA A 18 0.081 7.591 -1.233 1.00 0.00 C ATOM 0 H ALA A 18 0.990 8.224 -3.655 1.00 0.00 H new ATOM 0 HA ALA A 18 1.157 5.869 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.559 7.026 -0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.929 7.995 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.489 8.410 -1.672 1.00 0.00 H new ATOM 276 N GLY A 19 -0.854 4.813 -2.830 1.00 0.00 N ATOM 277 CA GLY A 19 -1.956 4.147 -3.484 1.00 0.00 C ATOM 278 C GLY A 19 -3.274 4.561 -2.865 1.00 0.00 C ATOM 279 O GLY A 19 -3.299 5.043 -1.730 1.00 0.00 O ATOM 0 H GLY A 19 -0.343 4.240 -2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.955 4.390 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.834 3.067 -3.404 1.00 0.00 H new ATOM 283 N CYS A 20 -4.365 4.402 -3.588 1.00 0.00 N ATOM 284 CA CYS A 20 -5.645 4.853 -3.095 1.00 0.00 C ATOM 285 C CYS A 20 -6.502 3.678 -2.635 1.00 0.00 C ATOM 286 O CYS A 20 -6.605 2.662 -3.326 1.00 0.00 O ATOM 287 CB CYS A 20 -6.358 5.654 -4.180 1.00 0.00 C ATOM 288 SG CYS A 20 -6.776 4.696 -5.653 1.00 0.00 S ATOM 0 H CYS A 20 -4.389 3.967 -4.511 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.481 5.495 -2.230 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.272 6.076 -3.763 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.725 6.492 -4.473 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.886 3.440 -5.337 1.00 0.00 H new ATOM 294 N PHE A 21 -7.102 3.815 -1.459 1.00 0.00 N ATOM 295 CA PHE A 21 -7.916 2.755 -0.889 1.00 0.00 C ATOM 296 C PHE A 21 -9.049 3.343 -0.051 1.00 0.00 C ATOM 297 O PHE A 21 -8.952 4.469 0.416 1.00 0.00 O ATOM 298 CB PHE A 21 -7.027 1.852 -0.028 1.00 0.00 C ATOM 299 CG PHE A 21 -7.730 0.673 0.579 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.349 -0.276 -0.219 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.760 0.512 1.956 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.988 -1.361 0.352 1.00 0.00 C ATOM 303 CE2 PHE A 21 -8.395 -0.573 2.526 1.00 0.00 C ATOM 304 CZ PHE A 21 -9.008 -1.508 1.722 1.00 0.00 C ATOM 0 H PHE A 21 -7.038 4.654 -0.882 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.361 2.168 -1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.201 1.490 -0.639 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.592 2.450 0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.332 -0.167 -1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.281 1.244 2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.472 -2.094 -0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.411 -0.688 3.600 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.505 -2.358 2.166 1.00 0.00 H new ATOM 314 N ARG A 22 -10.145 2.617 0.065 1.00 0.00 N ATOM 315 CA ARG A 22 -11.185 2.930 1.029 1.00 0.00 C ATOM 316 C ARG A 22 -11.333 1.749 1.956 1.00 0.00 C ATOM 317 O ARG A 22 -11.111 0.632 1.537 1.00 0.00 O ATOM 318 CB ARG A 22 -12.526 3.187 0.345 1.00 0.00 C ATOM 319 CG ARG A 22 -13.526 3.869 1.252 1.00 0.00 C ATOM 320 CD ARG A 22 -14.277 4.966 0.524 1.00 0.00 C ATOM 321 NE ARG A 22 -15.113 5.752 1.428 1.00 0.00 N ATOM 322 CZ ARG A 22 -16.351 6.159 1.150 1.00 0.00 C ATOM 323 NH1 ARG A 22 -16.950 5.780 0.030 1.00 0.00 N ATOM 324 NH2 ARG A 22 -17.002 6.916 2.021 1.00 0.00 N ATOM 0 H ARG A 22 -10.340 1.794 -0.505 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.902 3.833 1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.365 3.804 -0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.941 2.239 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.234 3.133 1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.009 4.291 2.114 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.565 5.624 0.026 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.900 4.524 -0.253 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.722 6.007 2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.463 5.171 -0.628 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.898 6.097 -0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.555 7.184 2.898 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.950 7.231 1.815 1.00 0.00 H new ATOM 338 N ASP A 23 -11.644 1.981 3.212 1.00 0.00 N ATOM 339 CA ASP A 23 -11.926 0.878 4.112 1.00 0.00 C ATOM 340 C ASP A 23 -13.429 0.621 4.148 1.00 0.00 C ATOM 341 O ASP A 23 -14.216 1.477 3.742 1.00 0.00 O ATOM 342 CB ASP A 23 -11.397 1.169 5.520 1.00 0.00 C ATOM 343 CG ASP A 23 -11.573 -0.013 6.451 1.00 0.00 C ATOM 344 OD1 ASP A 23 -10.729 -0.929 6.414 1.00 0.00 O ATOM 345 OD2 ASP A 23 -12.578 -0.047 7.189 1.00 0.00 O ATOM 0 H ASP A 23 -11.708 2.908 3.632 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.418 -0.013 3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.340 1.431 5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.918 2.034 5.931 1.00 0.00 H new ATOM 350 N ASP A 24 -13.816 -0.549 4.644 1.00 0.00 N ATOM 351 CA ASP A 24 -15.222 -0.941 4.719 1.00 0.00 C ATOM 352 C ASP A 24 -15.989 0.008 5.638 1.00 0.00 C ATOM 353 O ASP A 24 -17.205 0.163 5.521 1.00 0.00 O ATOM 354 CB ASP A 24 -15.328 -2.382 5.233 1.00 0.00 C ATOM 355 CG ASP A 24 -16.740 -2.934 5.169 1.00 0.00 C ATOM 356 OD1 ASP A 24 -17.515 -2.724 6.125 1.00 0.00 O ATOM 357 OD2 ASP A 24 -17.074 -3.603 4.171 1.00 0.00 O ATOM 0 H ASP A 24 -13.169 -1.251 5.004 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.661 -0.885 3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.668 -3.020 4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.975 -2.421 6.264 1.00 0.00 H new ATOM 362 N ASP A 25 -15.256 0.651 6.542 1.00 0.00 N ATOM 363 CA ASP A 25 -15.831 1.625 7.465 1.00 0.00 C ATOM 364 C ASP A 25 -16.324 2.862 6.718 1.00 0.00 C ATOM 365 O ASP A 25 -17.267 3.523 7.148 1.00 0.00 O ATOM 366 CB ASP A 25 -14.780 2.036 8.501 1.00 0.00 C ATOM 367 CG ASP A 25 -15.299 3.042 9.508 1.00 0.00 C ATOM 368 OD1 ASP A 25 -16.136 2.664 10.353 1.00 0.00 O ATOM 369 OD2 ASP A 25 -14.843 4.206 9.481 1.00 0.00 O ATOM 0 H ASP A 25 -14.252 0.513 6.656 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.682 1.163 7.965 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.433 1.148 9.029 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.917 2.458 7.986 1.00 0.00 H new ATOM 374 N GLY A 26 -15.700 3.154 5.588 1.00 0.00 N ATOM 375 CA GLY A 26 -16.038 4.354 4.848 1.00 0.00 C ATOM 376 C GLY A 26 -14.878 5.324 4.794 1.00 0.00 C ATOM 377 O GLY A 26 -14.910 6.308 4.056 1.00 0.00 O ATOM 0 H GLY A 26 -14.966 2.583 5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.335 4.085 3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.896 4.839 5.313 1.00 0.00 H new ATOM 381 N THR A 27 -13.852 5.037 5.575 1.00 0.00 N ATOM 382 CA THR A 27 -12.655 5.858 5.607 1.00 0.00 C ATOM 383 C THR A 27 -11.762 5.571 4.410 1.00 0.00 C ATOM 384 O THR A 27 -11.451 4.419 4.129 1.00 0.00 O ATOM 385 CB THR A 27 -11.869 5.606 6.907 1.00 0.00 C ATOM 386 OG1 THR A 27 -12.690 5.915 8.039 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.591 6.430 6.959 1.00 0.00 C ATOM 0 H THR A 27 -13.825 4.233 6.202 1.00 0.00 H new ATOM 0 HA THR A 27 -12.966 6.902 5.567 1.00 0.00 H new ATOM 0 HB THR A 27 -11.590 4.553 6.929 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.270 5.151 8.241 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.064 6.225 7.891 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.953 6.166 6.116 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.839 7.490 6.908 1.00 0.00 H new ATOM 395 N LYS A 28 -11.371 6.612 3.691 1.00 0.00 N ATOM 396 CA LYS A 28 -10.431 6.440 2.599 1.00 0.00 C ATOM 397 C LYS A 28 -9.033 6.509 3.155 1.00 0.00 C ATOM 398 O LYS A 28 -8.716 7.371 3.972 1.00 0.00 O ATOM 399 CB LYS A 28 -10.583 7.504 1.511 1.00 0.00 C ATOM 400 CG LYS A 28 -11.972 8.089 1.417 1.00 0.00 C ATOM 401 CD LYS A 28 -11.938 9.509 0.889 1.00 0.00 C ATOM 402 CE LYS A 28 -13.138 10.307 1.376 1.00 0.00 C ATOM 403 NZ LYS A 28 -12.974 11.765 1.137 1.00 0.00 N ATOM 0 H LYS A 28 -11.685 7.571 3.842 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.634 5.474 2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.873 8.309 1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.318 7.066 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.586 7.470 0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.442 8.076 2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.018 9.997 1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.926 9.494 -0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.037 9.956 0.869 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.283 10.129 2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.887 12.176 0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.641 12.224 2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.279 11.916 0.378 1.00 0.00 H new ATOM 417 N GLU A 29 -8.211 5.611 2.698 1.00 0.00 N ATOM 418 CA GLU A 29 -6.873 5.493 3.191 1.00 0.00 C ATOM 419 C GLU A 29 -5.867 5.624 2.091 1.00 0.00 C ATOM 420 O GLU A 29 -6.189 5.582 0.901 1.00 0.00 O ATOM 421 CB GLU A 29 -6.661 4.157 3.858 1.00 0.00 C ATOM 422 CG GLU A 29 -7.372 4.021 5.180 1.00 0.00 C ATOM 423 CD GLU A 29 -6.748 4.891 6.249 1.00 0.00 C ATOM 424 OE1 GLU A 29 -5.668 4.520 6.762 1.00 0.00 O ATOM 425 OE2 GLU A 29 -7.309 5.953 6.568 1.00 0.00 O ATOM 0 H GLU A 29 -8.452 4.938 1.970 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.735 6.300 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.003 3.368 3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.593 4.003 4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.421 4.292 5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.347 2.979 5.500 1.00 0.00 H new ATOM 432 N TRP A 30 -4.643 5.762 2.518 1.00 0.00 N ATOM 433 CA TRP A 30 -3.518 5.801 1.629 1.00 0.00 C ATOM 434 C TRP A 30 -2.324 5.191 2.315 1.00 0.00 C ATOM 435 O TRP A 30 -2.180 5.255 3.538 1.00 0.00 O ATOM 436 CB TRP A 30 -3.206 7.223 1.189 1.00 0.00 C ATOM 437 CG TRP A 30 -3.005 8.163 2.326 1.00 0.00 C ATOM 438 CD1 TRP A 30 -3.979 8.742 3.075 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.758 8.633 2.841 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.418 9.579 4.004 1.00 0.00 N ATOM 441 CE2 TRP A 30 -2.055 9.524 3.885 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.415 8.397 2.515 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -1.061 10.177 4.603 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.565 9.043 3.232 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.236 9.926 4.263 1.00 0.00 C ATOM 0 H TRP A 30 -4.397 5.851 3.504 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.761 5.228 0.734 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.309 7.215 0.570 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.021 7.589 0.564 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.038 8.569 2.956 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.932 10.150 4.675 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.155 7.720 1.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.307 10.860 5.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.603 8.865 2.994 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.028 10.422 4.804 1.00 0.00 H new ATOM 456 N ARG A 31 -1.501 4.579 1.520 1.00 0.00 N ATOM 457 CA ARG A 31 -0.304 3.930 1.978 1.00 0.00 C ATOM 458 C ARG A 31 0.773 4.242 1.005 1.00 0.00 C ATOM 459 O ARG A 31 0.509 4.738 -0.087 1.00 0.00 O ATOM 460 CB ARG A 31 -0.481 2.416 2.104 1.00 0.00 C ATOM 461 CG ARG A 31 -1.515 2.030 3.133 1.00 0.00 C ATOM 462 CD ARG A 31 -1.734 0.531 3.197 1.00 0.00 C ATOM 463 NE ARG A 31 -2.442 0.145 4.417 1.00 0.00 N ATOM 464 CZ ARG A 31 -1.850 -0.030 5.600 1.00 0.00 C ATOM 465 NH1 ARG A 31 -0.528 0.048 5.705 1.00 0.00 N ATOM 466 NH2 ARG A 31 -2.583 -0.310 6.672 1.00 0.00 N ATOM 0 H ARG A 31 -1.643 4.514 0.512 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.054 4.296 2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.769 2.007 1.136 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.475 1.964 2.369 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.201 2.391 4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.459 2.523 2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.305 0.208 2.326 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.772 0.020 3.156 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.450 0.001 4.360 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.039 0.242 4.879 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.080 -0.086 6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.596 -0.391 6.590 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.132 -0.444 7.577 1.00 0.00 H new ATOM 480 N CYS A 32 1.960 3.904 1.366 1.00 0.00 N ATOM 481 CA CYS A 32 3.093 4.303 0.595 1.00 0.00 C ATOM 482 C CYS A 32 3.569 3.081 -0.110 1.00 0.00 C ATOM 483 O CYS A 32 3.702 2.023 0.492 1.00 0.00 O ATOM 484 CB CYS A 32 4.188 4.841 1.505 1.00 0.00 C ATOM 485 SG CYS A 32 3.589 5.509 3.077 1.00 0.00 S ATOM 0 H CYS A 32 2.177 3.349 2.194 1.00 0.00 H new ATOM 0 HA CYS A 32 2.833 5.094 -0.109 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.899 4.041 1.711 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.733 5.623 0.976 1.00 0.00 H new ATOM 0 HG CYS A 32 4.602 5.822 3.830 1.00 0.00 H new ATOM 491 N LEU A 33 3.725 3.252 -1.409 1.00 0.00 N ATOM 492 CA LEU A 33 3.990 2.174 -2.344 1.00 0.00 C ATOM 493 C LEU A 33 5.092 1.232 -1.881 1.00 0.00 C ATOM 494 O LEU A 33 5.751 1.470 -0.882 1.00 0.00 O ATOM 495 CB LEU A 33 4.318 2.785 -3.691 1.00 0.00 C ATOM 496 CG LEU A 33 3.191 2.682 -4.710 1.00 0.00 C ATOM 497 CD1 LEU A 33 1.836 2.895 -4.041 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.388 3.706 -5.805 1.00 0.00 C ATOM 0 H LEU A 33 3.670 4.168 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 33 3.097 1.553 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.571 3.836 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.204 2.295 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 33 3.211 1.682 -5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.045 2.817 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.686 2.136 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.807 3.884 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.577 3.625 -6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.389 4.706 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.340 3.526 -6.304 1.00 0.00 H new ATOM 510 N LEU A 34 5.290 0.161 -2.620 1.00 0.00 N ATOM 511 CA LEU A 34 6.221 -0.871 -2.207 1.00 0.00 C ATOM 512 C LEU A 34 7.622 -0.324 -2.063 1.00 0.00 C ATOM 513 O LEU A 34 8.232 0.141 -3.026 1.00 0.00 O ATOM 514 CB LEU A 34 6.189 -2.028 -3.185 1.00 0.00 C ATOM 515 CG LEU A 34 4.812 -2.652 -3.353 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.911 -3.898 -4.187 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.188 -2.958 -2.005 1.00 0.00 C ATOM 0 H LEU A 34 4.821 -0.019 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 34 5.911 -1.235 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.541 -1.680 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.887 -2.795 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 34 4.167 -1.937 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.921 -4.338 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.313 -3.648 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.571 -4.613 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.204 -3.403 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.824 -3.655 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.087 -2.036 -1.433 1.00 0.00 H new ATOM 529 N GLY A 35 8.108 -0.365 -0.837 1.00 0.00 N ATOM 530 CA GLY A 35 9.413 0.168 -0.535 1.00 0.00 C ATOM 531 C GLY A 35 9.396 1.667 -0.324 1.00 0.00 C ATOM 532 O GLY A 35 10.435 2.290 -0.217 1.00 0.00 O ATOM 0 H GLY A 35 7.615 -0.763 -0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.801 -0.317 0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.097 -0.073 -1.349 1.00 0.00 H new ATOM 536 N TYR A 36 8.217 2.247 -0.287 1.00 0.00 N ATOM 537 CA TYR A 36 8.063 3.671 -0.062 1.00 0.00 C ATOM 538 C TYR A 36 7.854 4.000 1.415 1.00 0.00 C ATOM 539 O TYR A 36 7.661 3.114 2.249 1.00 0.00 O ATOM 540 CB TYR A 36 6.885 4.194 -0.873 1.00 0.00 C ATOM 541 CG TYR A 36 7.151 4.303 -2.356 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.674 3.241 -3.084 1.00 0.00 C ATOM 543 CD2 TYR A 36 6.882 5.478 -3.022 1.00 0.00 C ATOM 544 CE1 TYR A 36 7.916 3.357 -4.438 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.122 5.610 -4.367 1.00 0.00 C ATOM 546 CZ TYR A 36 7.635 4.548 -5.077 1.00 0.00 C ATOM 547 OH TYR A 36 7.887 4.685 -6.424 1.00 0.00 O ATOM 0 H TYR A 36 7.337 1.747 -0.412 1.00 0.00 H new ATOM 0 HA TYR A 36 8.985 4.156 -0.382 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.030 3.536 -0.716 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.605 5.176 -0.493 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.895 2.310 -2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.473 6.314 -2.474 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.321 2.524 -4.992 1.00 0.00 H new ATOM 0 HE2 TYR A 36 6.909 6.544 -4.866 1.00 0.00 H new ATOM 0 HH TYR A 36 7.631 5.585 -6.715 1.00 0.00 H new ATOM 557 N LYS A 37 7.888 5.291 1.717 1.00 0.00 N ATOM 558 CA LYS A 37 7.738 5.791 3.077 1.00 0.00 C ATOM 559 C LYS A 37 7.170 7.202 3.025 1.00 0.00 C ATOM 560 O LYS A 37 7.238 7.850 1.984 1.00 0.00 O ATOM 561 CB LYS A 37 9.101 5.822 3.775 1.00 0.00 C ATOM 562 CG LYS A 37 10.034 6.895 3.228 1.00 0.00 C ATOM 563 CD LYS A 37 11.383 6.881 3.928 1.00 0.00 C ATOM 564 CE LYS A 37 12.306 7.949 3.362 1.00 0.00 C ATOM 565 NZ LYS A 37 13.618 8.000 4.062 1.00 0.00 N ATOM 0 H LYS A 37 8.021 6.025 1.021 1.00 0.00 H new ATOM 0 HA LYS A 37 7.066 5.136 3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.951 5.990 4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.578 4.848 3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.178 6.741 2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.572 7.875 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.243 7.046 4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.845 5.900 3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.471 7.757 2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.820 8.922 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.209 8.744 3.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.466 8.210 5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.097 7.082 3.969 1.00 0.00 H new ATOM 579 N LYS A 38 6.605 7.680 4.123 1.00 0.00 N ATOM 580 CA LYS A 38 6.158 9.061 4.189 1.00 0.00 C ATOM 581 C LYS A 38 7.345 10.004 4.259 1.00 0.00 C ATOM 582 O LYS A 38 8.064 10.038 5.257 1.00 0.00 O ATOM 583 CB LYS A 38 5.251 9.277 5.381 1.00 0.00 C ATOM 584 CG LYS A 38 4.117 8.284 5.414 1.00 0.00 C ATOM 585 CD LYS A 38 2.799 8.928 5.745 1.00 0.00 C ATOM 586 CE LYS A 38 2.588 9.142 7.244 1.00 0.00 C ATOM 587 NZ LYS A 38 3.634 10.000 7.872 1.00 0.00 N ATOM 0 H LYS A 38 6.447 7.138 4.972 1.00 0.00 H new ATOM 0 HA LYS A 38 5.593 9.275 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.833 9.194 6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.846 10.289 5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.043 7.789 4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.336 7.511 6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.735 9.889 5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.992 8.307 5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.611 9.597 7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.575 8.173 7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.302 10.329 8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.508 9.450 7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.822 10.821 7.262 1.00 0.00 H new ATOM 601 N GLY A 39 7.542 10.773 3.202 1.00 0.00 N ATOM 602 CA GLY A 39 8.705 11.632 3.123 1.00 0.00 C ATOM 603 C GLY A 39 8.351 13.098 3.098 1.00 0.00 C ATOM 604 O GLY A 39 8.848 13.874 3.912 1.00 0.00 O ATOM 0 H GLY A 39 6.918 10.819 2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.355 11.435 3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.273 11.385 2.226 1.00 0.00 H new ATOM 608 N GLU A 40 7.476 13.466 2.174 1.00 0.00 N ATOM 609 CA GLU A 40 7.108 14.864 1.966 1.00 0.00 C ATOM 610 C GLU A 40 6.453 15.445 3.219 1.00 0.00 C ATOM 611 O GLU A 40 7.035 16.270 3.925 1.00 0.00 O ATOM 612 CB GLU A 40 6.143 14.981 0.778 1.00 0.00 C ATOM 613 CG GLU A 40 6.487 14.075 -0.402 1.00 0.00 C ATOM 614 CD GLU A 40 7.781 14.475 -1.082 1.00 0.00 C ATOM 615 OE1 GLU A 40 8.854 14.347 -0.457 1.00 0.00 O ATOM 616 OE2 GLU A 40 7.728 14.931 -2.241 1.00 0.00 O ATOM 0 H GLU A 40 7.003 12.812 1.550 1.00 0.00 H new ATOM 0 HA GLU A 40 8.016 15.429 1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.135 14.746 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.131 16.016 0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.566 13.045 -0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.674 14.105 -1.128 1.00 0.00 H new ATOM 623 N GLY A 41 5.242 14.992 3.481 1.00 0.00 N ATOM 624 CA GLY A 41 4.486 15.423 4.639 1.00 0.00 C ATOM 625 C GLY A 41 3.044 15.016 4.470 1.00 0.00 C ATOM 626 O GLY A 41 2.281 15.719 3.812 1.00 0.00 O ATOM 0 H GLY A 41 4.755 14.314 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.898 14.977 5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.560 16.504 4.754 1.00 0.00 H new ATOM 630 N ASN A 42 2.678 13.873 5.051 1.00 0.00 N ATOM 631 CA ASN A 42 1.451 13.185 4.674 1.00 0.00 C ATOM 632 C ASN A 42 1.533 12.866 3.197 1.00 0.00 C ATOM 633 O ASN A 42 0.771 13.391 2.389 1.00 0.00 O ATOM 634 CB ASN A 42 0.208 14.025 4.962 1.00 0.00 C ATOM 635 CG ASN A 42 -0.222 13.970 6.411 1.00 0.00 C ATOM 636 OD1 ASN A 42 0.602 13.828 7.318 1.00 0.00 O ATOM 637 ND2 ASN A 42 -1.522 14.069 6.635 1.00 0.00 N ATOM 0 H ASN A 42 3.215 13.408 5.783 1.00 0.00 H new ATOM 0 HA ASN A 42 1.358 12.275 5.267 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.405 15.061 4.687 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.612 13.678 4.333 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.880 14.029 7.589 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.167 14.186 5.853 1.00 0.00 H new ATOM 644 N THR A 43 2.509 12.037 2.848 1.00 0.00 N ATOM 645 CA THR A 43 2.828 11.759 1.462 1.00 0.00 C ATOM 646 C THR A 43 3.733 10.554 1.422 1.00 0.00 C ATOM 647 O THR A 43 4.073 10.011 2.469 1.00 0.00 O ATOM 648 CB THR A 43 3.558 12.931 0.790 1.00 0.00 C ATOM 649 OG1 THR A 43 3.376 14.137 1.538 1.00 0.00 O ATOM 650 CG2 THR A 43 3.053 13.144 -0.623 1.00 0.00 C ATOM 0 H THR A 43 3.097 11.542 3.519 1.00 0.00 H new ATOM 0 HA THR A 43 1.895 11.589 0.925 1.00 0.00 H new ATOM 0 HB THR A 43 4.619 12.681 0.758 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.085 14.854 0.937 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.585 13.979 -1.078 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.224 12.242 -1.210 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.986 13.364 -0.599 1.00 0.00 H new ATOM 658 N CYS A 44 4.142 10.145 0.242 1.00 0.00 N ATOM 659 CA CYS A 44 5.013 8.999 0.128 1.00 0.00 C ATOM 660 C CYS A 44 6.135 9.265 -0.868 1.00 0.00 C ATOM 661 O CYS A 44 5.981 10.058 -1.793 1.00 0.00 O ATOM 662 CB CYS A 44 4.192 7.783 -0.278 1.00 0.00 C ATOM 663 SG CYS A 44 2.674 7.585 0.686 1.00 0.00 S ATOM 0 H CYS A 44 3.888 10.584 -0.643 1.00 0.00 H new ATOM 0 HA CYS A 44 5.479 8.804 1.094 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.935 7.864 -1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.803 6.888 -0.167 1.00 0.00 H new ATOM 0 HG CYS A 44 2.951 7.009 1.818 1.00 0.00 H new ATOM 669 N VAL A 45 7.271 8.626 -0.628 1.00 0.00 N ATOM 670 CA VAL A 45 8.444 8.729 -1.479 1.00 0.00 C ATOM 671 C VAL A 45 9.187 7.407 -1.486 1.00 0.00 C ATOM 672 O VAL A 45 8.956 6.560 -0.621 1.00 0.00 O ATOM 673 CB VAL A 45 9.420 9.818 -0.995 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.835 11.206 -1.207 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.784 9.603 0.467 1.00 0.00 C ATOM 0 H VAL A 45 7.404 8.013 0.176 1.00 0.00 H new ATOM 0 HA VAL A 45 8.092 8.992 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 45 10.331 9.743 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.544 11.957 -0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.638 11.360 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.904 11.298 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.474 10.383 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.881 9.643 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.258 8.628 0.584 1.00 0.00 H new ATOM 685 N GLU A 46 10.075 7.241 -2.452 1.00 0.00 N ATOM 686 CA GLU A 46 10.860 6.023 -2.581 1.00 0.00 C ATOM 687 C GLU A 46 11.832 5.860 -1.426 1.00 0.00 C ATOM 688 O GLU A 46 12.937 6.410 -1.433 1.00 0.00 O ATOM 689 CB GLU A 46 11.628 6.020 -3.901 1.00 0.00 C ATOM 690 CG GLU A 46 11.165 4.956 -4.878 1.00 0.00 C ATOM 691 CD GLU A 46 11.967 4.957 -6.156 1.00 0.00 C ATOM 692 OE1 GLU A 46 11.644 5.750 -7.064 1.00 0.00 O ATOM 693 OE2 GLU A 46 12.929 4.169 -6.260 1.00 0.00 O ATOM 0 H GLU A 46 10.272 7.942 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 46 10.164 5.184 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.528 6.999 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.688 5.872 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.241 3.976 -4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.113 5.116 -5.113 1.00 0.00 H new ATOM 700 N ASN A 47 11.402 5.107 -0.435 1.00 0.00 N ATOM 701 CA ASN A 47 12.240 4.746 0.694 1.00 0.00 C ATOM 702 C ASN A 47 13.252 3.696 0.263 1.00 0.00 C ATOM 703 O ASN A 47 12.980 2.501 0.308 1.00 0.00 O ATOM 704 CB ASN A 47 11.373 4.210 1.831 1.00 0.00 C ATOM 705 CG ASN A 47 12.183 3.754 3.032 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.315 4.188 3.240 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.591 2.899 3.847 1.00 0.00 N ATOM 0 H ASN A 47 10.457 4.725 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 47 12.774 5.629 1.046 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.675 4.986 2.144 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.777 3.375 1.463 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.074 2.575 4.685 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.651 2.563 3.638 1.00 0.00 H new ATOM 714 N ASN A 48 14.432 4.144 -0.131 1.00 0.00 N ATOM 715 CA ASN A 48 15.436 3.263 -0.724 1.00 0.00 C ATOM 716 C ASN A 48 16.085 2.336 0.314 1.00 0.00 C ATOM 717 O ASN A 48 17.229 1.915 0.165 1.00 0.00 O ATOM 718 CB ASN A 48 16.483 4.111 -1.445 1.00 0.00 C ATOM 719 CG ASN A 48 16.491 3.879 -2.940 1.00 0.00 C ATOM 720 OD1 ASN A 48 15.710 4.675 -3.658 1.00 0.00 O flip ATOM 721 ND2 ASN A 48 17.195 3.006 -3.443 1.00 0.00 N flip ATOM 0 H ASN A 48 14.724 5.118 -0.052 1.00 0.00 H new ATOM 0 HA ASN A 48 14.940 2.610 -1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.291 5.165 -1.246 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.470 3.885 -1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 48 17.780 2.418 -2.850 1.00 0.00 H new ATOM 0 HD22 ASN A 48 17.194 2.870 -4.454 1.00 0.00 H new ATOM 728 N ASN A 49 15.318 1.999 1.342 1.00 0.00 N ATOM 729 CA ASN A 49 15.731 1.074 2.384 1.00 0.00 C ATOM 730 C ASN A 49 14.494 0.620 3.156 1.00 0.00 C ATOM 731 O ASN A 49 14.288 1.010 4.306 1.00 0.00 O ATOM 732 CB ASN A 49 16.721 1.747 3.329 1.00 0.00 C ATOM 733 CG ASN A 49 17.357 0.772 4.297 1.00 0.00 C ATOM 734 OD1 ASN A 49 17.509 -0.414 3.999 1.00 0.00 O ATOM 735 ND2 ASN A 49 17.739 1.268 5.457 1.00 0.00 N ATOM 0 H ASN A 49 14.376 2.368 1.476 1.00 0.00 H new ATOM 0 HA ASN A 49 16.223 0.212 1.933 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.501 2.234 2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.208 2.528 3.890 1.00 0.00 H new ATOM 0 HD21 ASN A 49 18.180 0.663 6.150 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.594 2.257 5.662 1.00 0.00 H new ATOM 742 N PRO A 50 13.636 -0.193 2.523 1.00 0.00 N ATOM 743 CA PRO A 50 12.362 -0.585 3.090 1.00 0.00 C ATOM 744 C PRO A 50 12.470 -1.809 3.983 1.00 0.00 C ATOM 745 O PRO A 50 13.158 -2.777 3.657 1.00 0.00 O ATOM 746 CB PRO A 50 11.504 -0.890 1.862 1.00 0.00 C ATOM 747 CG PRO A 50 12.439 -0.975 0.694 1.00 0.00 C ATOM 748 CD PRO A 50 13.834 -0.816 1.218 1.00 0.00 C ATOM 0 HA PRO A 50 11.950 0.193 3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.961 -1.826 1.992 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.760 -0.109 1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.328 -1.932 0.184 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.213 -0.197 -0.035 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.343 -1.776 1.304 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.441 -0.191 0.562 1.00 0.00 H new ATOM 756 N THR A 51 11.805 -1.738 5.115 1.00 0.00 N ATOM 757 CA THR A 51 11.784 -2.819 6.070 1.00 0.00 C ATOM 758 C THR A 51 10.346 -3.246 6.321 1.00 0.00 C ATOM 759 O THR A 51 9.421 -2.445 6.173 1.00 0.00 O ATOM 760 CB THR A 51 12.446 -2.415 7.404 1.00 0.00 C ATOM 761 OG1 THR A 51 12.572 -3.558 8.260 1.00 0.00 O ATOM 762 CG2 THR A 51 11.635 -1.343 8.112 1.00 0.00 C ATOM 0 H THR A 51 11.261 -0.923 5.399 1.00 0.00 H new ATOM 0 HA THR A 51 12.354 -3.649 5.652 1.00 0.00 H new ATOM 0 HB THR A 51 13.435 -2.015 7.180 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.692 -3.794 8.622 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.124 -1.077 9.049 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.564 -0.461 7.476 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.634 -1.722 8.320 1.00 0.00 H new ATOM 770 N CYS A 52 10.154 -4.497 6.690 1.00 0.00 N ATOM 771 CA CYS A 52 8.845 -4.950 7.115 1.00 0.00 C ATOM 772 C CYS A 52 8.655 -4.519 8.572 1.00 0.00 C ATOM 773 O CYS A 52 9.571 -3.924 9.149 1.00 0.00 O ATOM 774 CB CYS A 52 8.733 -6.470 6.963 1.00 0.00 C ATOM 775 SG CYS A 52 7.103 -7.151 7.358 1.00 0.00 S ATOM 0 H CYS A 52 10.881 -5.212 6.704 1.00 0.00 H new ATOM 0 HA CYS A 52 8.063 -4.509 6.496 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.985 -6.739 5.937 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.475 -6.942 7.607 1.00 0.00 H new ATOM 0 HG CYS A 52 6.408 -7.274 6.266 1.00 0.00 H new ATOM 781 N ASP A 53 7.472 -4.795 9.137 1.00 0.00 N ATOM 782 CA ASP A 53 7.044 -4.264 10.449 1.00 0.00 C ATOM 783 C ASP A 53 6.509 -2.851 10.291 1.00 0.00 C ATOM 784 O ASP A 53 5.486 -2.482 10.861 1.00 0.00 O ATOM 785 CB ASP A 53 8.177 -4.218 11.479 1.00 0.00 C ATOM 786 CG ASP A 53 7.699 -4.413 12.903 1.00 0.00 C ATOM 787 OD1 ASP A 53 7.076 -3.484 13.465 1.00 0.00 O ATOM 788 OD2 ASP A 53 7.956 -5.493 13.473 1.00 0.00 O ATOM 0 H ASP A 53 6.776 -5.397 8.697 1.00 0.00 H new ATOM 0 HA ASP A 53 6.275 -4.947 10.811 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.908 -4.990 11.239 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.689 -3.259 11.403 1.00 0.00 H new ATOM 793 N ILE A 54 7.214 -2.071 9.497 1.00 0.00 N ATOM 794 CA ILE A 54 6.958 -0.648 9.377 1.00 0.00 C ATOM 795 C ILE A 54 6.354 -0.344 8.033 1.00 0.00 C ATOM 796 O ILE A 54 7.020 -0.481 7.004 1.00 0.00 O ATOM 797 CB ILE A 54 8.265 0.137 9.559 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.988 -0.388 10.807 1.00 0.00 C ATOM 799 CG2 ILE A 54 7.982 1.632 9.650 1.00 0.00 C ATOM 800 CD1 ILE A 54 10.271 0.334 11.138 1.00 0.00 C ATOM 0 H ILE A 54 7.982 -2.405 8.915 1.00 0.00 H new ATOM 0 HA ILE A 54 6.255 -0.348 10.154 1.00 0.00 H new ATOM 0 HB ILE A 54 8.913 -0.009 8.695 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.314 -0.314 11.660 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.208 -1.446 10.666 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.920 2.173 9.779 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.493 1.966 8.735 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.330 1.828 10.502 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.714 -0.103 12.033 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.968 0.238 10.305 1.00 0.00 H new ATOM 0 HD13 ILE A 54 10.060 1.389 11.315 1.00 0.00 H new ATOM 812 N ASN A 55 5.069 0.013 8.047 1.00 0.00 N ATOM 813 CA ASN A 55 4.332 0.294 6.821 1.00 0.00 C ATOM 814 C ASN A 55 4.229 -0.983 5.996 1.00 0.00 C ATOM 815 O ASN A 55 3.859 -0.963 4.826 1.00 0.00 O ATOM 816 CB ASN A 55 5.046 1.400 6.043 1.00 0.00 C ATOM 817 CG ASN A 55 4.215 1.993 4.921 1.00 0.00 C ATOM 818 OD1 ASN A 55 2.987 2.067 4.999 1.00 0.00 O ATOM 819 ND2 ASN A 55 4.893 2.434 3.875 1.00 0.00 N ATOM 0 H ASN A 55 4.518 0.114 8.899 1.00 0.00 H new ATOM 0 HA ASN A 55 3.324 0.637 7.054 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.326 2.195 6.734 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.970 1.000 5.626 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.400 2.857 3.089 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.909 2.352 3.854 1.00 0.00 H new ATOM 826 N ASN A 56 4.569 -2.097 6.649 1.00 0.00 N ATOM 827 CA ASN A 56 4.654 -3.406 6.011 1.00 0.00 C ATOM 828 C ASN A 56 5.611 -3.344 4.815 1.00 0.00 C ATOM 829 O ASN A 56 5.464 -4.076 3.846 1.00 0.00 O ATOM 830 CB ASN A 56 3.257 -3.883 5.576 1.00 0.00 C ATOM 831 CG ASN A 56 3.144 -5.393 5.469 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.771 -6.132 6.229 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.345 -5.857 4.517 1.00 0.00 N ATOM 0 H ASN A 56 4.794 -2.112 7.644 1.00 0.00 H new ATOM 0 HA ASN A 56 5.046 -4.127 6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.518 -3.520 6.290 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.013 -3.438 4.611 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.231 -6.863 4.392 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.845 -5.208 3.910 1.00 0.00 H new ATOM 840 N GLY A 57 6.601 -2.452 4.898 1.00 0.00 N ATOM 841 CA GLY A 57 7.532 -2.246 3.799 1.00 0.00 C ATOM 842 C GLY A 57 6.863 -1.606 2.599 1.00 0.00 C ATOM 843 O GLY A 57 7.326 -1.741 1.468 1.00 0.00 O ATOM 0 H GLY A 57 6.774 -1.865 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.355 -1.615 4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.964 -3.203 3.506 1.00 0.00 H new ATOM 847 N GLY A 58 5.768 -0.909 2.855 1.00 0.00 N ATOM 848 CA GLY A 58 5.020 -0.274 1.794 1.00 0.00 C ATOM 849 C GLY A 58 3.923 -1.178 1.277 1.00 0.00 C ATOM 850 O GLY A 58 3.411 -0.992 0.180 1.00 0.00 O ATOM 0 H GLY A 58 5.381 -0.771 3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.585 0.656 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.693 -0.012 0.978 1.00 0.00 H new ATOM 854 N CYS A 59 3.568 -2.158 2.086 1.00 0.00 N ATOM 855 CA CYS A 59 2.585 -3.163 1.717 1.00 0.00 C ATOM 856 C CYS A 59 1.340 -3.047 2.592 1.00 0.00 C ATOM 857 O CYS A 59 1.283 -2.222 3.506 1.00 0.00 O ATOM 858 CB CYS A 59 3.193 -4.561 1.846 1.00 0.00 C ATOM 859 SG CYS A 59 4.567 -4.873 0.721 1.00 0.00 S ATOM 0 H CYS A 59 3.954 -2.281 3.022 1.00 0.00 H new ATOM 0 HA CYS A 59 2.292 -2.997 0.680 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.537 -4.703 2.871 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.414 -5.302 1.666 1.00 0.00 H new ATOM 0 HG CYS A 59 4.672 -6.151 0.509 1.00 0.00 H new ATOM 865 N ASP A 60 0.355 -3.885 2.311 1.00 0.00 N ATOM 866 CA ASP A 60 -0.887 -3.904 3.077 1.00 0.00 C ATOM 867 C ASP A 60 -0.825 -5.035 4.085 1.00 0.00 C ATOM 868 O ASP A 60 -0.263 -6.079 3.795 1.00 0.00 O ATOM 869 CB ASP A 60 -2.072 -4.155 2.142 1.00 0.00 C ATOM 870 CG ASP A 60 -3.414 -4.043 2.845 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.843 -5.037 3.474 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.038 -2.966 2.779 1.00 0.00 O ATOM 0 H ASP A 60 0.390 -4.567 1.553 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.013 -2.945 3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.037 -3.440 1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.979 -5.149 1.704 1.00 0.00 H new ATOM 877 N PRO A 61 -1.367 -4.820 5.298 1.00 0.00 N ATOM 878 CA PRO A 61 -1.375 -5.822 6.363 1.00 0.00 C ATOM 879 C PRO A 61 -1.910 -7.186 5.919 1.00 0.00 C ATOM 880 O PRO A 61 -1.590 -8.207 6.532 1.00 0.00 O ATOM 881 CB PRO A 61 -2.297 -5.213 7.415 1.00 0.00 C ATOM 882 CG PRO A 61 -2.235 -3.756 7.198 1.00 0.00 C ATOM 883 CD PRO A 61 -1.988 -3.558 5.738 1.00 0.00 C ATOM 0 HA PRO A 61 -0.364 -6.028 6.714 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.316 -5.583 7.305 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.970 -5.474 8.422 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.166 -3.278 7.503 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.438 -3.308 7.791 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.916 -3.363 5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.331 -2.707 5.558 1.00 0.00 H new ATOM 891 N THR A 62 -2.733 -7.207 4.873 1.00 0.00 N ATOM 892 CA THR A 62 -3.207 -8.465 4.313 1.00 0.00 C ATOM 893 C THR A 62 -2.150 -9.061 3.392 1.00 0.00 C ATOM 894 O THR A 62 -1.978 -10.282 3.325 1.00 0.00 O ATOM 895 CB THR A 62 -4.522 -8.291 3.526 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.347 -7.338 2.474 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.646 -7.841 4.443 1.00 0.00 C ATOM 0 H THR A 62 -3.082 -6.373 4.401 1.00 0.00 H new ATOM 0 HA THR A 62 -3.398 -9.136 5.150 1.00 0.00 H new ATOM 0 HB THR A 62 -4.789 -9.256 3.096 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.139 -6.461 2.858 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.563 -7.725 3.865 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.800 -8.587 5.223 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.383 -6.887 4.900 1.00 0.00 H new ATOM 905 N ALA A 63 -1.440 -8.184 2.693 1.00 0.00 N ATOM 906 CA ALA A 63 -0.371 -8.575 1.812 1.00 0.00 C ATOM 907 C ALA A 63 0.828 -9.062 2.615 1.00 0.00 C ATOM 908 O ALA A 63 1.511 -8.271 3.267 1.00 0.00 O ATOM 909 CB ALA A 63 0.012 -7.400 0.924 1.00 0.00 C ATOM 0 H ALA A 63 -1.599 -7.177 2.729 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.708 -9.397 1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.822 -7.697 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.851 -7.094 0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.340 -6.567 1.545 1.00 0.00 H new ATOM 915 N SER A 64 1.061 -10.368 2.584 1.00 0.00 N ATOM 916 CA SER A 64 2.201 -10.962 3.268 1.00 0.00 C ATOM 917 C SER A 64 3.500 -10.352 2.750 1.00 0.00 C ATOM 918 O SER A 64 3.977 -10.697 1.669 1.00 0.00 O ATOM 919 CB SER A 64 2.202 -12.481 3.068 1.00 0.00 C ATOM 920 OG SER A 64 3.307 -13.092 3.716 1.00 0.00 O ATOM 0 H SER A 64 0.472 -11.038 2.090 1.00 0.00 H new ATOM 0 HA SER A 64 2.122 -10.753 4.335 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.274 -12.900 3.457 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.233 -12.708 2.002 1.00 0.00 H new ATOM 0 HG SER A 64 3.277 -14.061 3.570 1.00 0.00 H new ATOM 926 N CYS A 65 4.039 -9.422 3.523 1.00 0.00 N ATOM 927 CA CYS A 65 5.244 -8.701 3.155 1.00 0.00 C ATOM 928 C CYS A 65 6.509 -9.476 3.498 1.00 0.00 C ATOM 929 O CYS A 65 6.547 -10.255 4.453 1.00 0.00 O ATOM 930 CB CYS A 65 5.257 -7.339 3.847 1.00 0.00 C ATOM 931 SG CYS A 65 6.895 -6.625 4.106 1.00 0.00 S ATOM 0 H CYS A 65 3.651 -9.147 4.425 1.00 0.00 H new ATOM 0 HA CYS A 65 5.233 -8.568 2.073 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.664 -6.642 3.254 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.763 -7.436 4.814 1.00 0.00 H new ATOM 0 HG CYS A 65 6.849 -5.344 3.889 1.00 0.00 H new ATOM 937 N GLN A 66 7.537 -9.238 2.698 1.00 0.00 N ATOM 938 CA GLN A 66 8.863 -9.765 2.936 1.00 0.00 C ATOM 939 C GLN A 66 9.857 -8.618 2.930 1.00 0.00 C ATOM 940 O GLN A 66 9.830 -7.774 2.035 1.00 0.00 O ATOM 941 CB GLN A 66 9.234 -10.807 1.870 1.00 0.00 C ATOM 942 CG GLN A 66 10.612 -10.612 1.250 1.00 0.00 C ATOM 943 CD GLN A 66 11.172 -11.863 0.585 1.00 0.00 C ATOM 944 OE1 GLN A 66 11.905 -11.773 -0.399 1.00 0.00 O ATOM 945 NE2 GLN A 66 10.864 -13.036 1.122 1.00 0.00 N ATOM 0 H GLN A 66 7.468 -8.666 1.856 1.00 0.00 H new ATOM 0 HA GLN A 66 8.886 -10.262 3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.188 -11.799 2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.486 -10.780 1.078 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.557 -9.813 0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.305 -10.283 2.024 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.254 -13.079 1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.238 -13.895 0.719 1.00 0.00 H new ATOM 954 N ASN A 67 10.711 -8.578 3.932 1.00 0.00 N ATOM 955 CA ASN A 67 11.740 -7.553 4.009 1.00 0.00 C ATOM 956 C ASN A 67 12.997 -8.032 3.304 1.00 0.00 C ATOM 957 O ASN A 67 13.613 -9.020 3.705 1.00 0.00 O ATOM 958 CB ASN A 67 12.046 -7.183 5.465 1.00 0.00 C ATOM 959 CG ASN A 67 13.194 -6.198 5.586 1.00 0.00 C ATOM 960 OD1 ASN A 67 13.449 -5.400 4.687 1.00 0.00 O ATOM 961 ND2 ASN A 67 13.876 -6.233 6.714 1.00 0.00 N ATOM 0 H ASN A 67 10.716 -9.242 4.706 1.00 0.00 H new ATOM 0 HA ASN A 67 11.372 -6.656 3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.154 -6.755 5.923 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.287 -8.088 6.023 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.647 -5.582 6.864 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.633 -6.911 7.436 1.00 0.00 H new ATOM 968 N ALA A 68 13.362 -7.328 2.249 1.00 0.00 N ATOM 969 CA ALA A 68 14.490 -7.706 1.420 1.00 0.00 C ATOM 970 C ALA A 68 15.230 -6.463 0.949 1.00 0.00 C ATOM 971 O ALA A 68 14.715 -5.349 1.057 1.00 0.00 O ATOM 972 CB ALA A 68 14.009 -8.538 0.242 1.00 0.00 C ATOM 0 H ALA A 68 12.886 -6.480 1.943 1.00 0.00 H new ATOM 0 HA ALA A 68 15.183 -8.311 2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.861 -8.819 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.515 -9.438 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.305 -7.955 -0.352 1.00 0.00 H new ATOM 978 N GLU A 69 16.444 -6.646 0.460 1.00 0.00 N ATOM 979 CA GLU A 69 17.264 -5.532 0.020 1.00 0.00 C ATOM 980 C GLU A 69 17.644 -5.668 -1.459 1.00 0.00 C ATOM 981 O GLU A 69 17.889 -6.769 -1.956 1.00 0.00 O ATOM 982 CB GLU A 69 18.510 -5.440 0.902 1.00 0.00 C ATOM 983 CG GLU A 69 19.434 -4.285 0.560 1.00 0.00 C ATOM 984 CD GLU A 69 20.501 -4.072 1.610 1.00 0.00 C ATOM 985 OE1 GLU A 69 21.475 -4.849 1.643 1.00 0.00 O ATOM 986 OE2 GLU A 69 20.359 -3.136 2.425 1.00 0.00 O ATOM 0 H GLU A 69 16.885 -7.560 0.358 1.00 0.00 H new ATOM 0 HA GLU A 69 16.689 -4.612 0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.198 -5.345 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 69 19.068 -6.373 0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.908 -4.475 -0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.847 -3.373 0.452 1.00 0.00 H new ATOM 993 N SER A 70 17.662 -4.536 -2.148 1.00 0.00 N ATOM 994 CA SER A 70 17.982 -4.464 -3.562 1.00 0.00 C ATOM 995 C SER A 70 18.446 -3.046 -3.873 1.00 0.00 C ATOM 996 O SER A 70 18.675 -2.261 -2.950 1.00 0.00 O ATOM 997 CB SER A 70 16.734 -4.797 -4.380 1.00 0.00 C ATOM 998 OG SER A 70 15.885 -3.686 -4.488 1.00 0.00 O ATOM 0 H SER A 70 17.451 -3.629 -1.732 1.00 0.00 H new ATOM 0 HA SER A 70 18.768 -5.176 -3.814 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.027 -5.132 -5.375 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.199 -5.623 -3.911 1.00 0.00 H new ATOM 0 HG SER A 70 15.000 -3.979 -4.790 1.00 0.00 H new ATOM 1004 N THR A 71 18.590 -2.719 -5.143 1.00 0.00 N ATOM 1005 CA THR A 71 18.840 -1.337 -5.537 1.00 0.00 C ATOM 1006 C THR A 71 17.510 -0.610 -5.774 1.00 0.00 C ATOM 1007 O THR A 71 17.474 0.604 -5.984 1.00 0.00 O ATOM 1008 CB THR A 71 19.719 -1.252 -6.808 1.00 0.00 C ATOM 1009 OG1 THR A 71 20.051 0.115 -7.094 1.00 0.00 O ATOM 1010 CG2 THR A 71 19.009 -1.861 -8.009 1.00 0.00 C ATOM 0 H THR A 71 18.540 -3.382 -5.917 1.00 0.00 H new ATOM 0 HA THR A 71 19.382 -0.854 -4.724 1.00 0.00 H new ATOM 0 HB THR A 71 20.632 -1.817 -6.618 1.00 0.00 H new ATOM 0 HG1 THR A 71 19.292 0.691 -6.865 1.00 0.00 H new ATOM 0 HG21 THR A 71 19.651 -1.787 -8.887 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.788 -2.909 -7.808 1.00 0.00 H new ATOM 0 HG23 THR A 71 18.079 -1.323 -8.193 1.00 0.00 H new ATOM 1018 N GLU A 72 16.424 -1.371 -5.718 1.00 0.00 N ATOM 1019 CA GLU A 72 15.083 -0.869 -5.986 1.00 0.00 C ATOM 1020 C GLU A 72 14.139 -1.186 -4.841 1.00 0.00 C ATOM 1021 O GLU A 72 13.710 -2.332 -4.696 1.00 0.00 O ATOM 1022 CB GLU A 72 14.533 -1.539 -7.224 1.00 0.00 C ATOM 1023 CG GLU A 72 15.245 -1.161 -8.494 1.00 0.00 C ATOM 1024 CD GLU A 72 14.994 0.277 -8.890 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.822 0.630 -9.137 1.00 0.00 O ATOM 1026 OE2 GLU A 72 15.964 1.059 -8.967 1.00 0.00 O ATOM 0 H GLU A 72 16.450 -2.363 -5.483 1.00 0.00 H new ATOM 0 HA GLU A 72 15.154 0.211 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.591 -2.620 -7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.477 -1.286 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.316 -1.318 -8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.919 -1.819 -9.300 1.00 0.00 H new ATOM 1033 N ASN A 73 13.776 -0.185 -4.055 1.00 0.00 N ATOM 1034 CA ASN A 73 12.884 -0.413 -2.924 1.00 0.00 C ATOM 1035 C ASN A 73 11.559 -1.005 -3.365 1.00 0.00 C ATOM 1036 O ASN A 73 10.888 -1.672 -2.580 1.00 0.00 O ATOM 1037 CB ASN A 73 12.618 0.862 -2.125 1.00 0.00 C ATOM 1038 CG ASN A 73 12.379 2.087 -2.981 1.00 0.00 C ATOM 1039 OD1 ASN A 73 11.267 2.324 -3.447 1.00 0.00 O ATOM 1040 ND2 ASN A 73 13.418 2.893 -3.157 1.00 0.00 N ATOM 0 H ASN A 73 14.079 0.782 -4.174 1.00 0.00 H new ATOM 0 HA ASN A 73 13.401 -1.125 -2.280 1.00 0.00 H new ATOM 0 HB2 ASN A 73 11.750 0.703 -1.486 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.467 1.051 -1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 73 13.312 3.751 -3.698 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.323 2.655 -2.751 1.00 0.00 H new ATOM 1047 N SER A 74 11.202 -0.804 -4.624 1.00 0.00 N ATOM 1048 CA SER A 74 9.889 -1.197 -5.090 1.00 0.00 C ATOM 1049 C SER A 74 9.823 -2.683 -5.430 1.00 0.00 C ATOM 1050 O SER A 74 8.739 -3.240 -5.603 1.00 0.00 O ATOM 1051 CB SER A 74 9.475 -0.347 -6.288 1.00 0.00 C ATOM 1052 OG SER A 74 9.548 1.034 -5.971 1.00 0.00 O ATOM 0 H SER A 74 11.798 -0.375 -5.332 1.00 0.00 H new ATOM 0 HA SER A 74 9.185 -1.024 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.123 -0.565 -7.137 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.459 -0.603 -6.589 1.00 0.00 H new ATOM 0 HG SER A 74 9.280 1.563 -6.751 1.00 0.00 H new ATOM 1058 N LYS A 75 10.976 -3.328 -5.521 1.00 0.00 N ATOM 1059 CA LYS A 75 11.009 -4.764 -5.746 1.00 0.00 C ATOM 1060 C LYS A 75 11.785 -5.478 -4.648 1.00 0.00 C ATOM 1061 O LYS A 75 12.198 -6.626 -4.812 1.00 0.00 O ATOM 1062 CB LYS A 75 11.581 -5.093 -7.115 1.00 0.00 C ATOM 1063 CG LYS A 75 12.788 -4.269 -7.447 1.00 0.00 C ATOM 1064 CD LYS A 75 13.391 -4.665 -8.782 1.00 0.00 C ATOM 1065 CE LYS A 75 14.051 -6.029 -8.711 1.00 0.00 C ATOM 1066 NZ LYS A 75 14.486 -6.499 -10.050 1.00 0.00 N ATOM 0 H LYS A 75 11.892 -2.885 -5.443 1.00 0.00 H new ATOM 0 HA LYS A 75 9.981 -5.124 -5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.846 -6.150 -7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.815 -4.931 -7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.513 -3.215 -7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.535 -4.386 -6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.613 -4.675 -9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.126 -3.919 -9.086 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.912 -5.982 -8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.354 -6.749 -8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.932 -7.434 -9.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.661 -6.567 -10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.170 -5.825 -10.449 1.00 0.00 H new ATOM 1080 N LYS A 76 11.992 -4.786 -3.532 1.00 0.00 N ATOM 1081 CA LYS A 76 12.607 -5.403 -2.365 1.00 0.00 C ATOM 1082 C LYS A 76 11.556 -6.092 -1.545 1.00 0.00 C ATOM 1083 O LYS A 76 11.656 -7.272 -1.236 1.00 0.00 O ATOM 1084 CB LYS A 76 13.286 -4.377 -1.473 1.00 0.00 C ATOM 1085 CG LYS A 76 14.453 -3.695 -2.114 1.00 0.00 C ATOM 1086 CD LYS A 76 15.184 -2.820 -1.129 1.00 0.00 C ATOM 1087 CE LYS A 76 15.794 -1.614 -1.813 1.00 0.00 C ATOM 1088 NZ LYS A 76 16.642 -0.809 -0.893 1.00 0.00 N ATOM 0 H LYS A 76 11.744 -3.804 -3.412 1.00 0.00 H new ATOM 0 HA LYS A 76 13.353 -6.109 -2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.554 -3.624 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.622 -4.869 -0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.137 -4.442 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.108 -3.092 -2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.495 -2.490 -0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.967 -3.397 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.395 -1.945 -2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.998 -0.985 -2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.527 0.202 -1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.354 -0.987 0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.639 -1.078 -1.016 1.00 0.00 H new ATOM 1102 N ILE A 77 10.547 -5.327 -1.179 1.00 0.00 N ATOM 1103 CA ILE A 77 9.493 -5.841 -0.346 1.00 0.00 C ATOM 1104 C ILE A 77 8.490 -6.584 -1.194 1.00 0.00 C ATOM 1105 O ILE A 77 7.994 -6.073 -2.198 1.00 0.00 O ATOM 1106 CB ILE A 77 8.770 -4.730 0.427 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.772 -3.834 1.156 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.783 -5.314 1.412 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.625 -4.577 2.163 1.00 0.00 C ATOM 0 H ILE A 77 10.440 -4.349 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 77 9.952 -6.512 0.380 1.00 0.00 H new ATOM 0 HB ILE A 77 8.223 -4.124 -0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.422 -3.357 0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.231 -3.038 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.283 -4.507 1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.042 -5.907 0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.311 -5.949 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.313 -3.880 2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.984 -5.031 2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.194 -5.355 1.654 1.00 0.00 H new ATOM 1121 N ILE A 78 8.207 -7.787 -0.782 1.00 0.00 N ATOM 1122 CA ILE A 78 7.255 -8.629 -1.491 1.00 0.00 C ATOM 1123 C ILE A 78 5.927 -8.641 -0.761 1.00 0.00 C ATOM 1124 O ILE A 78 5.844 -9.092 0.372 1.00 0.00 O ATOM 1125 CB ILE A 78 7.757 -10.084 -1.678 1.00 0.00 C ATOM 1126 CG1 ILE A 78 8.836 -10.150 -2.760 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.607 -11.019 -2.037 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.202 -9.696 -2.304 1.00 0.00 C ATOM 0 H ILE A 78 8.619 -8.219 0.045 1.00 0.00 H new ATOM 0 HA ILE A 78 7.136 -8.198 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 78 8.186 -10.409 -0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.909 -11.176 -3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.525 -9.535 -3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.988 -12.033 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.865 -11.006 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.145 -10.687 -2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.907 -9.775 -3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.148 -8.660 -1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.538 -10.325 -1.480 1.00 0.00 H new ATOM 1140 N CYS A 79 4.903 -8.118 -1.408 1.00 0.00 N ATOM 1141 CA CYS A 79 3.562 -8.137 -0.858 1.00 0.00 C ATOM 1142 C CYS A 79 2.799 -9.341 -1.387 1.00 0.00 C ATOM 1143 O CYS A 79 3.000 -9.758 -2.529 1.00 0.00 O ATOM 1144 CB CYS A 79 2.826 -6.862 -1.235 1.00 0.00 C ATOM 1145 SG CYS A 79 3.049 -6.397 -2.962 1.00 0.00 S ATOM 0 H CYS A 79 4.976 -7.672 -2.322 1.00 0.00 H new ATOM 0 HA CYS A 79 3.630 -8.204 0.228 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.762 -6.992 -1.035 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.173 -6.048 -0.599 1.00 0.00 H new ATOM 0 HG CYS A 79 2.421 -7.243 -3.724 1.00 0.00 H new ATOM 1151 N THR A 80 1.933 -9.903 -0.567 1.00 0.00 N ATOM 1152 CA THR A 80 1.153 -11.043 -0.982 1.00 0.00 C ATOM 1153 C THR A 80 -0.316 -10.935 -0.575 1.00 0.00 C ATOM 1154 O THR A 80 -0.676 -11.174 0.579 1.00 0.00 O ATOM 1155 CB THR A 80 1.735 -12.336 -0.405 1.00 0.00 C ATOM 1156 OG1 THR A 80 3.005 -12.619 -1.006 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.765 -13.479 -0.629 1.00 0.00 C ATOM 0 H THR A 80 1.755 -9.587 0.386 1.00 0.00 H new ATOM 0 HA THR A 80 1.200 -11.062 -2.071 1.00 0.00 H new ATOM 0 HB THR A 80 1.887 -12.215 0.667 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.368 -13.447 -0.628 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.183 -14.397 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.180 -13.256 -0.134 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.593 -13.606 -1.698 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.153 -10.583 -1.529 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.585 -10.701 -1.354 1.00 0.00 C ATOM 1167 C CYS A 81 -3.025 -12.014 -1.989 1.00 0.00 C ATOM 1168 O CYS A 81 -2.470 -12.428 -3.008 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.307 -9.503 -1.968 1.00 0.00 C ATOM 1170 SG CYS A 81 -2.898 -7.927 -1.174 1.00 0.00 S ATOM 0 H CYS A 81 -0.865 -10.212 -2.435 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.842 -10.705 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.057 -9.442 -3.027 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.383 -9.665 -1.903 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.728 -7.704 -0.199 1.00 0.00 H new ATOM 1176 N LYS A 82 -4.001 -12.670 -1.389 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.274 -14.064 -1.703 1.00 0.00 C ATOM 1178 C LYS A 82 -5.662 -14.266 -2.299 1.00 0.00 C ATOM 1179 O LYS A 82 -6.366 -13.306 -2.609 1.00 0.00 O ATOM 1180 CB LYS A 82 -4.104 -14.923 -0.456 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.707 -14.854 0.138 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.448 -16.002 1.092 1.00 0.00 C ATOM 1183 CE LYS A 82 -3.447 -16.022 2.239 1.00 0.00 C ATOM 1184 NZ LYS A 82 -3.170 -17.123 3.199 1.00 0.00 N ATOM 0 H LYS A 82 -4.617 -12.264 -0.684 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.554 -14.373 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.827 -14.606 0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.335 -15.959 -0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.969 -14.873 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.581 -13.908 0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.501 -16.945 0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.437 -15.921 1.492 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.416 -15.067 2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.455 -16.134 1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.873 -17.101 3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.225 -18.036 2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.218 -17.003 3.600 1.00 0.00 H new ATOM 1198 N GLU A 83 -6.031 -15.523 -2.483 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.333 -15.883 -3.037 1.00 0.00 C ATOM 1200 C GLU A 83 -8.502 -15.340 -2.194 1.00 0.00 C ATOM 1201 O GLU A 83 -9.464 -14.810 -2.757 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.423 -17.407 -3.178 1.00 0.00 C ATOM 1203 CG GLU A 83 -8.663 -17.901 -3.900 1.00 0.00 C ATOM 1204 CD GLU A 83 -8.712 -19.413 -3.977 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -8.074 -19.990 -4.885 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -9.372 -20.035 -3.119 1.00 0.00 O ATOM 0 H GLU A 83 -5.441 -16.323 -2.254 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.420 -15.418 -4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.542 -17.762 -3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.395 -17.853 -2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.552 -17.536 -3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.685 -17.486 -4.908 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.464 -15.451 -0.843 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.522 -14.900 0.017 1.00 0.00 C ATOM 1215 C PRO A 84 -9.560 -13.371 0.028 1.00 0.00 C ATOM 1216 O PRO A 84 -10.304 -12.770 0.804 1.00 0.00 O ATOM 1217 CB PRO A 84 -9.156 -15.410 1.411 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.701 -15.683 1.350 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.437 -16.150 -0.046 1.00 0.00 C ATOM 0 HA PRO A 84 -10.507 -15.207 -0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.387 -14.668 2.176 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.716 -16.311 1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.124 -14.787 1.579 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.414 -16.442 2.078 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.430 -15.890 -0.372 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.531 -17.233 -0.132 1.00 0.00 H new ATOM 1227 N THR A 85 -8.764 -12.740 -0.822 1.00 0.00 N ATOM 1228 CA THR A 85 -8.712 -11.289 -0.854 1.00 0.00 C ATOM 1229 C THR A 85 -8.945 -10.754 -2.271 1.00 0.00 C ATOM 1230 O THR A 85 -8.125 -10.955 -3.166 1.00 0.00 O ATOM 1231 CB THR A 85 -7.378 -10.747 -0.283 1.00 0.00 C ATOM 1232 OG1 THR A 85 -6.265 -11.346 -0.941 1.00 0.00 O ATOM 1233 CG2 THR A 85 -7.274 -11.008 1.212 1.00 0.00 C ATOM 0 H THR A 85 -8.152 -13.205 -1.492 1.00 0.00 H new ATOM 0 HA THR A 85 -9.518 -10.930 -0.215 1.00 0.00 H new ATOM 0 HB THR A 85 -7.365 -9.671 -0.457 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.569 -11.791 -1.759 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.327 -10.617 1.585 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.098 -10.514 1.726 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.321 -12.081 1.398 1.00 0.00 H new ATOM 1241 N PRO A 86 -10.102 -10.088 -2.473 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.527 -9.490 -3.755 1.00 0.00 C ATOM 1243 C PRO A 86 -9.439 -8.781 -4.597 1.00 0.00 C ATOM 1244 O PRO A 86 -9.524 -8.794 -5.825 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.614 -8.508 -3.278 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.291 -9.286 -2.219 1.00 0.00 C ATOM 1247 CD PRO A 86 -11.160 -9.897 -1.445 1.00 0.00 C ATOM 0 HA PRO A 86 -10.844 -10.258 -4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.186 -7.582 -2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.297 -8.234 -4.082 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.909 -8.648 -1.587 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.946 -10.049 -2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.825 -9.243 -0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.451 -10.843 -0.987 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.424 -8.175 -3.975 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.473 -7.348 -4.722 1.00 0.00 C ATOM 1257 C ASN A 87 -6.137 -7.155 -4.010 1.00 0.00 C ATOM 1258 O ASN A 87 -6.008 -7.407 -2.816 1.00 0.00 O ATOM 1259 CB ASN A 87 -8.132 -6.001 -4.944 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.206 -4.851 -5.329 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.558 -4.255 -4.474 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -7.199 -4.473 -6.588 1.00 0.00 N ATOM 0 H ASN A 87 -8.241 -8.239 -2.974 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.238 -7.856 -5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.883 -6.112 -5.726 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.660 -5.724 -4.032 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.645 -3.666 -6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.747 -4.987 -7.278 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.158 -6.719 -4.793 1.00 0.00 N ATOM 1270 CA ALA A 88 -3.911 -6.159 -4.288 1.00 0.00 C ATOM 1271 C ALA A 88 -3.612 -4.881 -5.060 1.00 0.00 C ATOM 1272 O ALA A 88 -3.200 -4.927 -6.221 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.768 -7.142 -4.444 1.00 0.00 C ATOM 0 H ALA A 88 -5.209 -6.745 -5.811 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.016 -5.944 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.850 -6.697 -4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.992 -8.052 -3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.639 -7.385 -5.499 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.823 -3.741 -4.423 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.611 -2.464 -5.073 1.00 0.00 C ATOM 1281 C TYR A 89 -2.149 -2.137 -5.037 1.00 0.00 C ATOM 1282 O TYR A 89 -1.533 -2.219 -3.974 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.366 -1.359 -4.361 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.325 -0.596 -5.221 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -4.904 0.470 -6.007 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.657 -0.919 -5.214 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -5.806 1.188 -6.770 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.562 -0.210 -5.960 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.138 0.842 -6.742 1.00 0.00 C ATOM 1290 OH TYR A 89 -8.052 1.556 -7.488 1.00 0.00 O ATOM 0 H TYR A 89 -4.141 -3.677 -3.456 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.972 -2.535 -6.099 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.916 -1.794 -3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.645 -0.660 -3.938 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.859 0.741 -6.022 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.999 -1.746 -4.610 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.469 2.012 -7.382 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.608 -0.476 -5.935 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.644 2.057 -6.888 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.591 -1.766 -6.176 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.182 -1.452 -6.241 1.00 0.00 C ATOM 1302 C TYR A 90 0.619 -2.653 -5.794 1.00 0.00 C ATOM 1303 O TYR A 90 1.416 -2.579 -4.860 1.00 0.00 O ATOM 1304 CB TYR A 90 0.110 -0.200 -5.398 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.273 1.060 -6.134 1.00 0.00 C ATOM 1306 CD1 TYR A 90 0.594 1.626 -7.058 1.00 0.00 C ATOM 1307 CD2 TYR A 90 -1.507 1.665 -5.936 1.00 0.00 C ATOM 1308 CE1 TYR A 90 0.246 2.759 -7.761 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -1.866 2.796 -6.642 1.00 0.00 C ATOM 1310 CZ TYR A 90 -0.983 3.340 -7.552 1.00 0.00 C ATOM 1311 OH TYR A 90 -1.336 4.461 -8.267 1.00 0.00 O ATOM 0 H TYR A 90 -2.091 -1.676 -7.060 1.00 0.00 H new ATOM 0 HA TYR A 90 0.112 -1.224 -7.266 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.440 -0.256 -4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.170 -0.168 -5.146 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.558 1.171 -7.229 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.196 1.245 -5.219 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.935 3.189 -8.473 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.832 3.252 -6.483 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.235 4.748 -8.003 1.00 0.00 H new ATOM 1321 N GLU A 91 0.353 -3.772 -6.474 1.00 0.00 N ATOM 1322 CA GLU A 91 1.029 -5.047 -6.244 1.00 0.00 C ATOM 1323 C GLU A 91 0.581 -5.701 -4.939 1.00 0.00 C ATOM 1324 O GLU A 91 0.475 -6.924 -4.841 1.00 0.00 O ATOM 1325 CB GLU A 91 2.534 -4.829 -6.259 1.00 0.00 C ATOM 1326 CG GLU A 91 2.996 -3.965 -7.421 1.00 0.00 C ATOM 1327 CD GLU A 91 3.227 -4.757 -8.685 1.00 0.00 C ATOM 1328 OE1 GLU A 91 4.167 -5.581 -8.713 1.00 0.00 O ATOM 1329 OE2 GLU A 91 2.471 -4.559 -9.659 1.00 0.00 O ATOM 0 H GLU A 91 -0.350 -3.815 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 91 0.756 -5.733 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.837 -4.361 -5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.035 -5.796 -6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.250 -3.193 -7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.919 -3.455 -7.144 1.00 0.00 H new ATOM 1336 N GLY A 92 0.314 -4.872 -3.954 1.00 0.00 N ATOM 1337 CA GLY A 92 -0.112 -5.338 -2.652 1.00 0.00 C ATOM 1338 C GLY A 92 0.127 -4.299 -1.581 1.00 0.00 C ATOM 1339 O GLY A 92 0.464 -4.631 -0.447 1.00 0.00 O ATOM 0 H GLY A 92 0.386 -3.858 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.172 -5.590 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.425 -6.252 -2.399 1.00 0.00 H new ATOM 1343 N VAL A 93 -0.022 -3.032 -1.945 1.00 0.00 N ATOM 1344 CA VAL A 93 0.071 -1.953 -0.977 1.00 0.00 C ATOM 1345 C VAL A 93 -1.252 -1.852 -0.234 1.00 0.00 C ATOM 1346 O VAL A 93 -1.318 -1.381 0.899 1.00 0.00 O ATOM 1347 CB VAL A 93 0.418 -0.602 -1.646 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.622 0.494 -0.614 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.662 -0.742 -2.505 1.00 0.00 C ATOM 0 H VAL A 93 -0.207 -2.729 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 93 0.880 -2.177 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.425 -0.320 -2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.864 1.429 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.292 0.621 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.440 0.219 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.893 0.217 -2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.500 -1.056 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.487 -1.488 -3.281 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.309 -2.300 -0.906 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.640 -2.413 -0.295 1.00 0.00 C ATOM 1361 C PHE A 94 -4.367 -3.588 -0.894 1.00 0.00 C ATOM 1362 O PHE A 94 -3.809 -4.334 -1.700 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.519 -1.178 -0.551 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.783 0.104 -0.597 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -3.022 0.407 -1.695 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.848 1.002 0.444 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.331 1.574 -1.770 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -3.161 2.184 0.380 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.400 2.472 -0.729 1.00 0.00 C ATOM 0 H PHE A 94 -2.273 -2.594 -1.882 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.478 -2.522 0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.046 -1.313 -1.496 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.276 -1.119 0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.971 -0.294 -2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.444 0.773 1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.731 1.796 -2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.216 2.888 1.197 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.856 3.403 -0.783 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.621 -3.726 -0.520 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.480 -4.696 -1.137 1.00 0.00 C ATOM 1381 C CYS A 95 -7.893 -4.126 -1.319 1.00 0.00 C ATOM 1382 O CYS A 95 -8.586 -3.856 -0.356 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.487 -5.942 -0.263 1.00 0.00 C ATOM 1384 SG CYS A 95 -6.762 -5.617 1.495 1.00 0.00 S ATOM 0 H CYS A 95 -6.064 -3.172 0.213 1.00 0.00 H new ATOM 0 HA CYS A 95 -6.113 -4.953 -2.131 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.263 -6.618 -0.621 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.535 -6.459 -0.380 1.00 0.00 H new ATOM 0 HG CYS A 95 -5.874 -6.255 2.198 1.00 0.00 H new ATOM 1390 N SER A 96 -8.320 -4.056 -2.573 1.00 0.00 N ATOM 1391 CA SER A 96 -9.566 -3.394 -3.004 1.00 0.00 C ATOM 1392 C SER A 96 -10.620 -4.369 -3.560 1.00 0.00 C ATOM 1393 O SER A 96 -10.421 -5.571 -3.554 1.00 0.00 O ATOM 1394 CB SER A 96 -9.253 -2.345 -4.056 1.00 0.00 C ATOM 1395 OG SER A 96 -9.322 -1.041 -3.504 1.00 0.00 O ATOM 0 H SER A 96 -7.801 -4.467 -3.349 1.00 0.00 H new ATOM 0 HA SER A 96 -9.995 -2.936 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.258 -2.519 -4.465 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.957 -2.432 -4.883 1.00 0.00 H new ATOM 0 HG SER A 96 -8.706 -0.449 -3.985 1.00 0.00 H new ATOM 1401 N SER A 97 -11.776 -3.839 -3.962 1.00 0.00 N ATOM 1402 CA SER A 97 -12.906 -4.652 -4.455 1.00 0.00 C ATOM 1403 C SER A 97 -12.477 -5.793 -5.373 1.00 0.00 C ATOM 1404 O SER A 97 -13.068 -6.872 -5.352 1.00 0.00 O ATOM 1405 CB SER A 97 -13.871 -3.757 -5.213 1.00 0.00 C ATOM 1406 OG SER A 97 -13.165 -2.826 -6.021 1.00 0.00 O ATOM 0 H SER A 97 -11.963 -2.836 -3.958 1.00 0.00 H new ATOM 0 HA SER A 97 -13.375 -5.100 -3.579 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.525 -4.366 -5.838 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.509 -3.224 -4.509 1.00 0.00 H new ATOM 0 HG SER A 97 -13.804 -2.260 -6.502 1.00 0.00 H new ATOM 1412 N SER A 98 -11.416 -5.545 -6.119 1.00 0.00 N ATOM 1413 CA SER A 98 -10.970 -6.398 -7.221 1.00 0.00 C ATOM 1414 C SER A 98 -9.837 -5.702 -7.960 1.00 0.00 C ATOM 1415 O SER A 98 -8.724 -6.217 -8.043 1.00 0.00 O ATOM 1416 CB SER A 98 -12.104 -6.688 -8.213 1.00 0.00 C ATOM 1417 OG SER A 98 -13.009 -7.665 -7.721 1.00 0.00 O ATOM 0 H SER A 98 -10.822 -4.728 -5.977 1.00 0.00 H new ATOM 0 HA SER A 98 -10.637 -7.346 -6.799 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.646 -5.766 -8.423 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.680 -7.030 -9.157 1.00 0.00 H new ATOM 0 HG SER A 98 -12.913 -7.740 -6.749 1.00 0.00 H new ATOM 1423 N SER A 99 -10.133 -4.510 -8.471 1.00 0.00 N ATOM 1424 CA SER A 99 -9.154 -3.685 -9.158 1.00 0.00 C ATOM 1425 C SER A 99 -9.828 -2.380 -9.580 1.00 0.00 C ATOM 1426 O SER A 99 -9.829 -2.055 -10.784 1.00 0.00 O ATOM 1427 CB SER A 99 -8.585 -4.425 -10.379 1.00 0.00 C ATOM 1428 OG SER A 99 -7.308 -3.926 -10.739 1.00 0.00 O ATOM 1429 OXT SER A 99 -10.407 -1.711 -8.699 1.00 0.00 O ATOM 0 H SER A 99 -11.062 -4.092 -8.418 1.00 0.00 H new ATOM 0 HA SER A 99 -8.321 -3.467 -8.490 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.512 -5.490 -10.159 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.269 -4.320 -11.221 1.00 0.00 H new ATOM 0 HG SER A 99 -6.972 -4.418 -11.517 1.00 0.00 H new TER 1435 SER A 99