USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 716 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 69 HIS : no HE2:sc= 0.238 K(o=0.24,f=-1.1) USER MOD Set 1.2: A 106 HIS : no HD1:sc= 0 X(o=0.24,f=0.24) USER MOD Set 2.1: A 25 HIS : no HE2:sc= -1.48 K(o=-2,f=-6.6!) USER MOD Set 2.2: A 83 HIS : no HE2:sc= -0.529! C(o=-2!,f=-7.4!) USER MOD Set 3.1: A 35 HIS : no HD1:sc= -4.05! C(o=-7.3!,f=-4.8!) USER MOD Set 3.2: A 52 HIS : no HE2:sc= 0 K(o=-7.3,f=-5.7) USER MOD Set 3.3: A 76 HIS : no HD1:sc= -3.25! K(o=-7.3!,f=-4.8) USER MOD Set 4.1: A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Set 4.2: A 34 HIS : no HE2:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.486 USER MOD Single : A 15 GLN : amide:sc= -0.367 K(o=-0.37,f=-2.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.0761 USER MOD Single : A 32 THR OG1 : rot -138:sc= -1.51 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0.0965 USER MOD Single : A 48 SER OG : rot -160:sc= -0.427 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 65:sc= -2.36! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -170:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 78 SER OG : rot 138:sc= -4.29! USER MOD Single : A 79 CYS SG : rot 180:sc= 0.0435 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -108:sc= 0.814 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 71:sc= 0.437 USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -150:sc= 2.16 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ALA A 3 3.112 10.107 -15.161 1.00 1.00 N ATOM 26 CA ALA A 3 2.012 9.386 -15.778 1.00 1.00 C ATOM 27 C ALA A 3 1.765 8.086 -15.010 1.00 1.00 C ATOM 28 O ALA A 3 2.666 7.258 -14.879 1.00 1.00 O ATOM 29 CB ALA A 3 2.328 9.140 -17.255 1.00 1.00 C ATOM 0 HA ALA A 3 1.095 9.974 -15.734 1.00 1.00 H new ATOM 0 HB1 ALA A 3 1.503 8.599 -17.718 1.00 1.00 H new ATOM 0 HB2 ALA A 3 2.466 10.095 -17.762 1.00 1.00 H new ATOM 0 HB3 ALA A 3 3.241 8.550 -17.338 1.00 1.00 H new ATOM 35 N VAL A 4 0.541 7.947 -14.523 1.00 1.00 N ATOM 36 CA VAL A 4 0.165 6.762 -13.771 1.00 1.00 C ATOM 37 C VAL A 4 0.349 5.525 -14.653 1.00 1.00 C ATOM 38 O VAL A 4 -0.345 5.322 -15.646 1.00 1.00 O ATOM 39 CB VAL A 4 -1.262 6.910 -13.240 1.00 1.00 C ATOM 40 CG1 VAL A 4 -2.285 6.776 -14.370 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.541 5.899 -12.126 1.00 1.00 C ATOM 0 H VAL A 4 -0.203 8.635 -14.634 1.00 1.00 H new ATOM 0 HA VAL A 4 0.810 6.641 -12.901 1.00 1.00 H new ATOM 0 HB VAL A 4 -1.359 7.910 -12.817 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -3.291 6.885 -13.965 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -2.108 7.552 -15.115 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -2.186 5.796 -14.836 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.562 6.026 -11.767 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.416 4.888 -12.513 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.844 6.062 -11.304 1.00 1.00 H new ATOM 51 N PRO A 5 1.315 4.691 -14.260 1.00 1.00 N ATOM 52 CA PRO A 5 1.660 3.463 -14.943 1.00 1.00 C ATOM 53 C PRO A 5 0.395 2.668 -15.235 1.00 1.00 C ATOM 54 O PRO A 5 -0.387 2.436 -14.313 1.00 1.00 O ATOM 55 CB PRO A 5 2.564 2.713 -13.967 1.00 1.00 C ATOM 56 CG PRO A 5 3.190 3.782 -13.154 1.00 1.00 C ATOM 57 CD PRO A 5 2.151 4.899 -13.097 1.00 1.00 C ATOM 0 HA PRO A 5 2.156 3.634 -15.898 1.00 1.00 H new ATOM 0 HB2 PRO A 5 1.993 2.023 -13.346 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.314 2.122 -14.493 1.00 1.00 H new ATOM 0 HG2 PRO A 5 3.438 3.423 -12.155 1.00 1.00 H new ATOM 0 HG3 PRO A 5 4.118 4.130 -13.608 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.568 4.849 -12.177 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.625 5.880 -13.121 1.00 1.00 H new ATOM 65 N ASP A 6 0.216 2.274 -16.487 1.00 1.00 N ATOM 66 CA ASP A 6 -0.959 1.512 -16.871 1.00 1.00 C ATOM 67 C ASP A 6 -0.682 0.020 -16.672 1.00 1.00 C ATOM 68 O ASP A 6 -1.519 -0.820 -17.000 1.00 1.00 O ATOM 69 CB ASP A 6 -1.304 1.736 -18.345 1.00 1.00 C ATOM 70 CG ASP A 6 -0.428 0.968 -19.338 1.00 1.00 C ATOM 71 OD1 ASP A 6 -0.539 -0.260 -19.469 1.00 1.00 O ATOM 72 OD2 ASP A 6 0.407 1.692 -20.002 1.00 1.00 O ATOM 0 H ASP A 6 0.866 2.469 -17.249 1.00 1.00 H new ATOM 0 HA ASP A 6 -1.792 1.843 -16.251 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -2.344 1.453 -18.506 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -1.226 2.801 -18.563 1.00 1.00 H new ATOM 78 N LYS A 7 0.495 -0.264 -16.135 1.00 1.00 N ATOM 79 CA LYS A 7 0.893 -1.639 -15.889 1.00 1.00 C ATOM 80 C LYS A 7 1.228 -1.810 -14.406 1.00 1.00 C ATOM 81 O LYS A 7 2.332 -1.525 -13.948 1.00 1.00 O ATOM 82 CB LYS A 7 2.033 -2.044 -16.826 1.00 1.00 C ATOM 83 CG LYS A 7 3.109 -0.958 -16.882 1.00 1.00 C ATOM 84 CD LYS A 7 4.328 -1.435 -17.675 1.00 1.00 C ATOM 85 CE LYS A 7 5.408 -1.985 -16.742 1.00 1.00 C ATOM 86 NZ LYS A 7 6.294 -0.896 -16.275 1.00 1.00 N ATOM 0 H LYS A 7 1.186 0.435 -15.863 1.00 1.00 H new ATOM 0 HA LYS A 7 0.071 -2.319 -16.113 1.00 1.00 H new ATOM 0 HB2 LYS A 7 2.474 -2.980 -16.484 1.00 1.00 H new ATOM 0 HB3 LYS A 7 1.640 -2.223 -17.827 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.700 -0.059 -17.343 1.00 1.00 H new ATOM 0 HG3 LYS A 7 3.412 -0.688 -15.870 1.00 1.00 H new ATOM 0 HD2 LYS A 7 4.026 -2.207 -18.383 1.00 1.00 H new ATOM 0 HD3 LYS A 7 4.733 -0.608 -18.258 1.00 1.00 H new ATOM 0 HE2 LYS A 7 4.943 -2.475 -15.887 1.00 1.00 H new ATOM 0 HE3 LYS A 7 5.995 -2.742 -17.262 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 7.021 -1.287 -15.643 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 6.752 -0.446 -17.093 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 5.732 -0.188 -15.760 1.00 1.00 H new ATOM 99 N PRO A 8 0.234 -2.291 -13.655 1.00 1.00 N ATOM 100 CA PRO A 8 0.330 -2.533 -12.231 1.00 1.00 C ATOM 101 C PRO A 8 1.707 -3.092 -11.901 1.00 1.00 C ATOM 102 O PRO A 8 2.268 -3.813 -12.723 1.00 1.00 O ATOM 103 CB PRO A 8 -0.763 -3.557 -11.934 1.00 1.00 C ATOM 104 CG PRO A 8 -1.884 -3.031 -12.925 1.00 1.00 C ATOM 105 CD PRO A 8 -1.077 -2.637 -14.160 1.00 1.00 C ATOM 0 HA PRO A 8 0.203 -1.628 -11.636 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.453 -4.578 -12.155 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -1.082 -3.540 -10.892 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -2.620 -3.802 -13.151 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -2.428 -2.183 -12.509 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -1.021 -3.459 -14.874 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.535 -1.795 -14.679 1.00 1.00 H new ATOM 113 N VAL A 9 2.217 -2.755 -10.725 1.00 1.00 N ATOM 114 CA VAL A 9 3.526 -3.234 -10.314 1.00 1.00 C ATOM 115 C VAL A 9 3.357 -4.291 -9.220 1.00 1.00 C ATOM 116 O VAL A 9 2.425 -4.218 -8.421 1.00 1.00 O ATOM 117 CB VAL A 9 4.400 -2.056 -9.877 1.00 1.00 C ATOM 118 CG1 VAL A 9 5.178 -1.482 -11.062 1.00 1.00 C ATOM 119 CG2 VAL A 9 3.561 -0.974 -9.194 1.00 1.00 C ATOM 0 H VAL A 9 1.748 -2.157 -10.045 1.00 1.00 H new ATOM 0 HA VAL A 9 4.039 -3.710 -11.150 1.00 1.00 H new ATOM 0 HB VAL A 9 5.123 -2.426 -9.150 1.00 1.00 H new ATOM 0 HG11 VAL A 9 5.791 -0.646 -10.724 1.00 1.00 H new ATOM 0 HG12 VAL A 9 5.820 -2.255 -11.485 1.00 1.00 H new ATOM 0 HG13 VAL A 9 4.479 -1.135 -11.823 1.00 1.00 H new ATOM 0 HG21 VAL A 9 4.206 -0.149 -8.893 1.00 1.00 H new ATOM 0 HG22 VAL A 9 2.804 -0.609 -9.888 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.074 -1.393 -8.313 1.00 1.00 H new ATOM 129 N GLU A 10 4.272 -5.248 -9.221 1.00 1.00 N ATOM 130 CA GLU A 10 4.236 -6.319 -8.239 1.00 1.00 C ATOM 131 C GLU A 10 5.083 -5.950 -7.019 1.00 1.00 C ATOM 132 O GLU A 10 6.144 -5.343 -7.157 1.00 1.00 O ATOM 133 CB GLU A 10 4.703 -7.641 -8.851 1.00 1.00 C ATOM 134 CG GLU A 10 6.164 -7.552 -9.298 1.00 1.00 C ATOM 135 CD GLU A 10 6.264 -7.147 -10.770 1.00 1.00 C ATOM 136 OE1 GLU A 10 6.953 -6.171 -11.099 1.00 1.00 O ATOM 137 OE2 GLU A 10 5.593 -7.888 -11.586 1.00 1.00 O ATOM 0 H GLU A 10 5.043 -5.305 -9.886 1.00 1.00 H new ATOM 0 HA GLU A 10 3.204 -6.452 -7.914 1.00 1.00 H new ATOM 0 HB2 GLU A 10 4.590 -8.443 -8.122 1.00 1.00 H new ATOM 0 HB3 GLU A 10 4.073 -7.894 -9.704 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.693 -6.826 -8.681 1.00 1.00 H new ATOM 0 HG3 GLU A 10 6.653 -8.515 -9.148 1.00 1.00 H new ATOM 145 N VAL A 11 4.583 -6.331 -5.854 1.00 1.00 N ATOM 146 CA VAL A 11 5.281 -6.048 -4.611 1.00 1.00 C ATOM 147 C VAL A 11 5.649 -7.366 -3.926 1.00 1.00 C ATOM 148 O VAL A 11 4.930 -7.834 -3.045 1.00 1.00 O ATOM 149 CB VAL A 11 4.428 -5.134 -3.729 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.189 -4.725 -2.466 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.957 -3.904 -4.508 1.00 1.00 C ATOM 0 H VAL A 11 3.702 -6.834 -5.744 1.00 1.00 H new ATOM 0 HA VAL A 11 6.210 -5.513 -4.808 1.00 1.00 H new ATOM 0 HB VAL A 11 3.545 -5.694 -3.421 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.560 -4.076 -1.857 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.452 -5.616 -1.895 1.00 1.00 H new ATOM 0 HG13 VAL A 11 6.098 -4.192 -2.745 1.00 1.00 H new ATOM 0 HG21 VAL A 11 3.353 -3.271 -3.858 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.823 -3.342 -4.859 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.360 -4.221 -5.363 1.00 1.00 H new ATOM 161 N LYS A 12 6.769 -7.927 -4.357 1.00 1.00 N ATOM 162 CA LYS A 12 7.242 -9.181 -3.796 1.00 1.00 C ATOM 163 C LYS A 12 7.751 -8.940 -2.374 1.00 1.00 C ATOM 164 O LYS A 12 8.918 -8.607 -2.177 1.00 1.00 O ATOM 165 CB LYS A 12 8.279 -9.824 -4.720 1.00 1.00 C ATOM 166 CG LYS A 12 9.367 -8.820 -5.105 1.00 1.00 C ATOM 167 CD LYS A 12 10.638 -9.538 -5.563 1.00 1.00 C ATOM 168 CE LYS A 12 11.344 -8.751 -6.669 1.00 1.00 C ATOM 169 NZ LYS A 12 11.788 -9.660 -7.749 1.00 1.00 N ATOM 0 H LYS A 12 7.363 -7.536 -5.088 1.00 1.00 H new ATOM 0 HA LYS A 12 6.424 -9.898 -3.724 1.00 1.00 H new ATOM 0 HB2 LYS A 12 8.731 -10.683 -4.224 1.00 1.00 H new ATOM 0 HB3 LYS A 12 7.789 -10.197 -5.619 1.00 1.00 H new ATOM 0 HG2 LYS A 12 9.003 -8.172 -5.903 1.00 1.00 H new ATOM 0 HG3 LYS A 12 9.594 -8.179 -4.253 1.00 1.00 H new ATOM 0 HD2 LYS A 12 11.312 -9.667 -4.716 1.00 1.00 H new ATOM 0 HD3 LYS A 12 10.386 -10.535 -5.925 1.00 1.00 H new ATOM 0 HE2 LYS A 12 10.669 -7.997 -7.075 1.00 1.00 H new ATOM 0 HE3 LYS A 12 12.202 -8.221 -6.256 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 12.265 -9.110 -8.492 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 12.448 -10.364 -7.361 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 10.963 -10.146 -8.155 1.00 1.00 H new ATOM 182 N GLY A 13 6.849 -9.116 -1.419 1.00 1.00 N ATOM 183 CA GLY A 13 7.192 -8.922 -0.021 1.00 1.00 C ATOM 184 C GLY A 13 8.205 -9.969 0.446 1.00 1.00 C ATOM 185 O GLY A 13 9.060 -10.400 -0.327 1.00 1.00 O ATOM 0 H GLY A 13 5.881 -9.391 -1.587 1.00 1.00 H new ATOM 0 HA2 GLY A 13 7.605 -7.923 0.121 1.00 1.00 H new ATOM 0 HA3 GLY A 13 6.292 -8.984 0.590 1.00 1.00 H new ATOM 189 N SER A 14 8.077 -10.348 1.709 1.00 1.00 N ATOM 190 CA SER A 14 8.971 -11.336 2.288 1.00 1.00 C ATOM 191 C SER A 14 8.971 -12.606 1.434 1.00 1.00 C ATOM 192 O SER A 14 9.987 -12.956 0.836 1.00 1.00 O ATOM 193 CB SER A 14 8.570 -11.665 3.728 1.00 1.00 C ATOM 194 OG SER A 14 8.356 -13.061 3.917 1.00 1.00 O ATOM 0 H SER A 14 7.368 -9.989 2.348 1.00 1.00 H new ATOM 0 HA SER A 14 9.977 -10.918 2.306 1.00 1.00 H new ATOM 0 HB2 SER A 14 9.349 -11.322 4.409 1.00 1.00 H new ATOM 0 HB3 SER A 14 7.661 -11.121 3.984 1.00 1.00 H new ATOM 0 HG SER A 14 8.104 -13.230 4.849 1.00 1.00 H new ATOM 200 N GLN A 15 7.820 -13.261 1.405 1.00 1.00 N ATOM 201 CA GLN A 15 7.674 -14.484 0.634 1.00 1.00 C ATOM 202 C GLN A 15 6.257 -14.588 0.065 1.00 1.00 C ATOM 203 O GLN A 15 5.640 -15.651 0.117 1.00 1.00 O ATOM 204 CB GLN A 15 8.015 -15.711 1.482 1.00 1.00 C ATOM 205 CG GLN A 15 8.898 -16.688 0.703 1.00 1.00 C ATOM 206 CD GLN A 15 8.110 -17.934 0.295 1.00 1.00 C ATOM 207 OE1 GLN A 15 6.933 -18.077 0.584 1.00 1.00 O ATOM 208 NE2 GLN A 15 8.821 -18.824 -0.391 1.00 1.00 N ATOM 0 H GLN A 15 6.980 -12.968 1.903 1.00 1.00 H new ATOM 0 HA GLN A 15 8.377 -14.451 -0.198 1.00 1.00 H new ATOM 0 HB2 GLN A 15 8.528 -15.398 2.391 1.00 1.00 H new ATOM 0 HB3 GLN A 15 7.097 -16.211 1.790 1.00 1.00 H new ATOM 0 HG2 GLN A 15 9.294 -16.197 -0.186 1.00 1.00 H new ATOM 0 HG3 GLN A 15 9.753 -16.978 1.314 1.00 1.00 H new ATOM 0 HE21 GLN A 15 9.803 -18.641 -0.599 1.00 1.00 H new ATOM 0 HE22 GLN A 15 8.385 -19.689 -0.709 1.00 1.00 H new ATOM 217 N LYS A 16 5.783 -13.469 -0.464 1.00 1.00 N ATOM 218 CA LYS A 16 4.451 -13.421 -1.042 1.00 1.00 C ATOM 219 C LYS A 16 4.368 -12.251 -2.024 1.00 1.00 C ATOM 220 O LYS A 16 4.648 -11.110 -1.661 1.00 1.00 O ATOM 221 CB LYS A 16 3.390 -13.375 0.060 1.00 1.00 C ATOM 222 CG LYS A 16 2.472 -14.597 -0.011 1.00 1.00 C ATOM 223 CD LYS A 16 1.358 -14.386 -1.039 1.00 1.00 C ATOM 224 CE LYS A 16 1.247 -15.586 -1.981 1.00 1.00 C ATOM 225 NZ LYS A 16 0.097 -16.438 -1.603 1.00 1.00 N ATOM 0 H LYS A 16 6.298 -12.589 -0.504 1.00 1.00 H new ATOM 0 HA LYS A 16 4.249 -14.329 -1.610 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.875 -13.336 1.035 1.00 1.00 H new ATOM 0 HB3 LYS A 16 2.798 -12.465 -0.038 1.00 1.00 H new ATOM 0 HG2 LYS A 16 3.055 -15.479 -0.276 1.00 1.00 H new ATOM 0 HG3 LYS A 16 2.036 -14.786 0.970 1.00 1.00 H new ATOM 0 HD2 LYS A 16 0.409 -14.233 -0.526 1.00 1.00 H new ATOM 0 HD3 LYS A 16 1.557 -13.483 -1.616 1.00 1.00 H new ATOM 0 HE2 LYS A 16 1.129 -15.240 -3.008 1.00 1.00 H new ATOM 0 HE3 LYS A 16 2.167 -16.170 -1.945 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 0.037 -17.248 -2.253 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 0.226 -16.783 -0.630 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 -0.780 -15.882 -1.660 1.00 1.00 H new ATOM 238 N THR A 17 3.981 -12.575 -3.250 1.00 1.00 N ATOM 239 CA THR A 17 3.858 -11.566 -4.287 1.00 1.00 C ATOM 240 C THR A 17 2.441 -10.987 -4.302 1.00 1.00 C ATOM 241 O THR A 17 1.463 -11.731 -4.337 1.00 1.00 O ATOM 242 CB THR A 17 4.268 -12.201 -5.617 1.00 1.00 C ATOM 243 OG1 THR A 17 5.603 -12.646 -5.391 1.00 1.00 O ATOM 244 CG2 THR A 17 4.403 -11.172 -6.741 1.00 1.00 C ATOM 0 H THR A 17 3.749 -13.523 -3.547 1.00 1.00 H new ATOM 0 HA THR A 17 4.520 -10.721 -4.096 1.00 1.00 H new ATOM 0 HB THR A 17 3.533 -12.954 -5.902 1.00 1.00 H new ATOM 0 HG1 THR A 17 5.947 -13.073 -6.203 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.696 -11.676 -7.662 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.448 -10.669 -6.890 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.162 -10.437 -6.472 1.00 1.00 H new ATOM 252 N VAL A 18 2.377 -9.664 -4.274 1.00 1.00 N ATOM 253 CA VAL A 18 1.097 -8.977 -4.284 1.00 1.00 C ATOM 254 C VAL A 18 1.156 -7.812 -5.275 1.00 1.00 C ATOM 255 O VAL A 18 2.036 -6.958 -5.182 1.00 1.00 O ATOM 256 CB VAL A 18 0.728 -8.537 -2.866 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.656 -7.884 -2.837 1.00 1.00 C ATOM 258 CG2 VAL A 18 0.799 -9.714 -1.891 1.00 1.00 C ATOM 0 H VAL A 18 3.191 -9.050 -4.244 1.00 1.00 H new ATOM 0 HA VAL A 18 0.306 -9.648 -4.618 1.00 1.00 H new ATOM 0 HB VAL A 18 1.457 -7.792 -2.546 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.894 -7.581 -1.817 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.659 -7.008 -3.486 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.402 -8.597 -3.187 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.532 -9.374 -0.890 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.104 -10.491 -2.208 1.00 1.00 H new ATOM 0 HG23 VAL A 18 1.812 -10.116 -1.879 1.00 1.00 H new ATOM 268 N MET A 19 0.207 -7.815 -6.200 1.00 1.00 N ATOM 269 CA MET A 19 0.140 -6.770 -7.207 1.00 1.00 C ATOM 270 C MET A 19 -0.854 -5.680 -6.800 1.00 1.00 C ATOM 271 O MET A 19 -1.939 -5.978 -6.303 1.00 1.00 O ATOM 272 CB MET A 19 -0.286 -7.376 -8.545 1.00 1.00 C ATOM 273 CG MET A 19 0.868 -8.147 -9.190 1.00 1.00 C ATOM 274 SD MET A 19 0.632 -8.234 -10.957 1.00 1.00 S ATOM 275 CE MET A 19 -0.594 -9.529 -11.043 1.00 1.00 C ATOM 0 H MET A 19 -0.522 -8.525 -6.273 1.00 1.00 H new ATOM 0 HA MET A 19 1.128 -6.318 -7.301 1.00 1.00 H new ATOM 0 HB2 MET A 19 -1.134 -8.044 -8.392 1.00 1.00 H new ATOM 0 HB3 MET A 19 -0.620 -6.585 -9.217 1.00 1.00 H new ATOM 0 HG2 MET A 19 1.815 -7.656 -8.965 1.00 1.00 H new ATOM 0 HG3 MET A 19 0.923 -9.152 -8.772 1.00 1.00 H new ATOM 0 HE1 MET A 19 -0.857 -9.712 -12.085 1.00 1.00 H new ATOM 0 HE2 MET A 19 -0.190 -10.442 -10.605 1.00 1.00 H new ATOM 0 HE3 MET A 19 -1.484 -9.225 -10.492 1.00 1.00 H new ATOM 285 N PHE A 20 -0.447 -4.439 -7.026 1.00 1.00 N ATOM 286 CA PHE A 20 -1.289 -3.303 -6.689 1.00 1.00 C ATOM 287 C PHE A 20 -1.540 -2.424 -7.916 1.00 1.00 C ATOM 288 O PHE A 20 -0.729 -1.580 -8.291 1.00 1.00 O ATOM 289 CB PHE A 20 -0.537 -2.487 -5.636 1.00 1.00 C ATOM 290 CG PHE A 20 -0.976 -1.023 -5.554 1.00 1.00 C ATOM 291 CD1 PHE A 20 -2.013 -0.668 -4.749 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.329 -0.077 -6.286 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.420 0.690 -4.674 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.736 1.281 -6.211 1.00 1.00 C ATOM 295 CZ PHE A 20 -1.773 1.636 -5.406 1.00 1.00 C ATOM 0 H PHE A 20 0.454 -4.195 -7.438 1.00 1.00 H new ATOM 0 HA PHE A 20 -2.254 -3.651 -6.321 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.678 -2.953 -4.661 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.530 -2.524 -5.856 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.527 -1.419 -4.167 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.495 -0.359 -6.925 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.244 0.972 -4.035 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.222 2.032 -6.793 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.083 2.669 -5.348 1.00 1.00 H new ATOM 305 N PRO A 21 -2.699 -2.644 -8.540 1.00 1.00 N ATOM 306 CA PRO A 21 -3.140 -1.928 -9.718 1.00 1.00 C ATOM 307 C PRO A 21 -3.404 -0.472 -9.361 1.00 1.00 C ATOM 308 O PRO A 21 -3.963 -0.206 -8.299 1.00 1.00 O ATOM 309 CB PRO A 21 -4.429 -2.629 -10.143 1.00 1.00 C ATOM 310 CG PRO A 21 -4.489 -3.929 -9.383 1.00 1.00 C ATOM 311 CD PRO A 21 -3.676 -3.628 -8.127 1.00 1.00 C ATOM 0 HA PRO A 21 -2.400 -1.931 -10.518 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -5.298 -2.010 -9.919 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.435 -2.809 -11.218 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.515 -4.209 -9.143 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -4.059 -4.751 -9.955 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -4.311 -3.243 -7.329 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.193 -4.527 -7.745 1.00 1.00 H new ATOM 319 N HIS A 22 -3.000 0.442 -10.243 1.00 1.00 N ATOM 320 CA HIS A 22 -3.182 1.875 -10.038 1.00 1.00 C ATOM 321 C HIS A 22 -4.591 2.292 -10.500 1.00 1.00 C ATOM 322 O HIS A 22 -5.118 3.303 -10.038 1.00 1.00 O ATOM 323 CB HIS A 22 -2.040 2.626 -10.738 1.00 1.00 C ATOM 324 CG HIS A 22 -0.824 2.947 -9.900 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.296 2.221 -9.949 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.591 3.948 -8.987 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.192 2.747 -9.100 1.00 1.00 C ATOM 328 NE2 HIS A 22 0.696 3.815 -8.479 1.00 1.00 N ATOM 0 H HIS A 22 -2.537 0.207 -11.121 1.00 1.00 H new ATOM 0 HA HIS A 22 -3.127 2.137 -8.981 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.717 2.033 -11.593 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.439 3.561 -11.131 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -1.297 4.717 -8.708 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.186 2.355 -8.941 1.00 1.00 H new ATOM 0 HE2 HIS A 22 1.157 4.404 -7.786 1.00 1.00 H new ATOM 336 N ALA A 23 -5.152 1.495 -11.397 1.00 1.00 N ATOM 337 CA ALA A 23 -6.481 1.772 -11.917 1.00 1.00 C ATOM 338 C ALA A 23 -7.440 2.014 -10.749 1.00 1.00 C ATOM 339 O ALA A 23 -8.106 3.042 -10.654 1.00 1.00 O ATOM 340 CB ALA A 23 -6.930 0.616 -12.811 1.00 1.00 C ATOM 0 H ALA A 23 -4.711 0.657 -11.777 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.474 2.673 -12.530 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.926 0.823 -13.201 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -6.232 0.505 -13.640 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.953 -0.306 -12.230 1.00 1.00 H new ATOM 346 N PRO A 24 -7.495 1.028 -9.851 1.00 1.00 N ATOM 347 CA PRO A 24 -8.331 1.046 -8.670 1.00 1.00 C ATOM 348 C PRO A 24 -7.903 2.187 -7.759 1.00 1.00 C ATOM 349 O PRO A 24 -8.578 2.446 -6.765 1.00 1.00 O ATOM 350 CB PRO A 24 -8.094 -0.307 -8.002 1.00 1.00 C ATOM 351 CG PRO A 24 -7.480 -1.195 -9.059 1.00 1.00 C ATOM 352 CD PRO A 24 -6.725 -0.195 -9.932 1.00 1.00 C ATOM 0 HA PRO A 24 -9.386 1.200 -8.899 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.430 -0.207 -7.144 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -9.029 -0.729 -7.634 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.813 -1.940 -8.626 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -8.238 -1.736 -9.625 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.707 -0.045 -9.571 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.650 -0.547 -10.961 1.00 1.00 H new ATOM 360 N HIS A 25 -6.797 2.845 -8.105 1.00 1.00 N ATOM 361 CA HIS A 25 -6.263 3.960 -7.329 1.00 1.00 C ATOM 362 C HIS A 25 -5.920 5.131 -8.269 1.00 1.00 C ATOM 363 O HIS A 25 -4.895 5.786 -8.091 1.00 1.00 O ATOM 364 CB HIS A 25 -5.080 3.458 -6.488 1.00 1.00 C ATOM 365 CG HIS A 25 -5.333 2.253 -5.610 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.092 1.004 -6.017 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.816 2.152 -4.328 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.412 0.156 -5.027 1.00 1.00 C ATOM 369 NE2 HIS A 25 -5.865 0.812 -3.960 1.00 1.00 N ATOM 0 H HIS A 25 -6.246 2.618 -8.933 1.00 1.00 H new ATOM 0 HA HIS A 25 -7.002 4.349 -6.629 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.259 3.220 -7.164 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.743 4.277 -5.853 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -4.725 0.738 -6.931 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -6.111 2.983 -3.704 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.315 -0.918 -5.088 1.00 1.00 H new ATOM 377 N GLU A 26 -6.795 5.354 -9.238 1.00 1.00 N ATOM 378 CA GLU A 26 -6.594 6.429 -10.194 1.00 1.00 C ATOM 379 C GLU A 26 -7.448 7.642 -9.817 1.00 1.00 C ATOM 380 O GLU A 26 -7.495 8.625 -10.554 1.00 1.00 O ATOM 381 CB GLU A 26 -6.903 5.962 -11.618 1.00 1.00 C ATOM 382 CG GLU A 26 -5.695 6.164 -12.536 1.00 1.00 C ATOM 383 CD GLU A 26 -6.110 6.832 -13.849 1.00 1.00 C ATOM 384 OE1 GLU A 26 -6.245 8.063 -13.902 1.00 1.00 O ATOM 385 OE2 GLU A 26 -6.292 6.024 -14.838 1.00 1.00 O ATOM 0 H GLU A 26 -7.645 4.809 -9.382 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.545 6.724 -10.163 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -7.183 4.909 -11.606 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.757 6.515 -12.008 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.949 6.778 -12.031 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -5.228 5.202 -12.745 1.00 1.00 H new ATOM 393 N LYS A 27 -8.102 7.531 -8.670 1.00 1.00 N ATOM 394 CA LYS A 27 -8.952 8.605 -8.187 1.00 1.00 C ATOM 395 C LYS A 27 -8.410 9.116 -6.850 1.00 1.00 C ATOM 396 O LYS A 27 -8.750 10.216 -6.418 1.00 1.00 O ATOM 397 CB LYS A 27 -10.411 8.148 -8.125 1.00 1.00 C ATOM 398 CG LYS A 27 -11.247 8.836 -9.206 1.00 1.00 C ATOM 399 CD LYS A 27 -12.679 9.074 -8.723 1.00 1.00 C ATOM 400 CE LYS A 27 -13.401 10.079 -9.623 1.00 1.00 C ATOM 401 NZ LYS A 27 -13.160 11.462 -9.153 1.00 1.00 N ATOM 0 H LYS A 27 -8.060 6.714 -8.061 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.935 9.445 -8.881 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.463 7.067 -8.253 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.825 8.373 -7.142 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -10.788 9.787 -9.476 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -11.260 8.222 -10.106 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -13.225 8.131 -8.714 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -12.664 9.444 -7.698 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -13.053 9.972 -10.650 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -14.471 9.871 -9.626 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -13.657 12.131 -9.775 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -13.514 11.565 -8.180 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -12.140 11.663 -9.173 1.00 1.00 H new ATOM 414 N VAL A 28 -7.577 8.291 -6.232 1.00 1.00 N ATOM 415 CA VAL A 28 -6.985 8.646 -4.953 1.00 1.00 C ATOM 416 C VAL A 28 -5.726 9.480 -5.192 1.00 1.00 C ATOM 417 O VAL A 28 -4.853 9.086 -5.965 1.00 1.00 O ATOM 418 CB VAL A 28 -6.718 7.382 -4.132 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.298 7.735 -2.704 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.938 6.459 -4.133 1.00 1.00 C ATOM 0 H VAL A 28 -7.298 7.379 -6.593 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.674 9.258 -4.370 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.893 6.846 -4.601 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -6.114 6.819 -2.142 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.387 8.334 -2.730 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -7.093 8.304 -2.221 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.721 5.569 -3.543 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.791 6.982 -3.701 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.173 6.167 -5.157 1.00 1.00 H new ATOM 430 N GLU A 29 -5.671 10.618 -4.516 1.00 1.00 N ATOM 431 CA GLU A 29 -4.533 11.512 -4.645 1.00 1.00 C ATOM 432 C GLU A 29 -3.226 10.740 -4.449 1.00 1.00 C ATOM 433 O GLU A 29 -3.122 9.909 -3.548 1.00 1.00 O ATOM 434 CB GLU A 29 -4.635 12.677 -3.658 1.00 1.00 C ATOM 435 CG GLU A 29 -5.214 13.920 -4.336 1.00 1.00 C ATOM 436 CD GLU A 29 -4.591 15.196 -3.766 1.00 1.00 C ATOM 437 OE1 GLU A 29 -3.695 15.120 -2.913 1.00 1.00 O ATOM 438 OE2 GLU A 29 -5.068 16.295 -4.242 1.00 1.00 O ATOM 0 H GLU A 29 -6.397 10.942 -3.877 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.538 11.931 -5.651 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.265 12.391 -2.816 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.648 12.904 -3.255 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -5.033 13.871 -5.410 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -6.295 13.945 -4.196 1.00 1.00 H new ATOM 446 N CYS A 30 -2.263 11.042 -5.306 1.00 1.00 N ATOM 447 CA CYS A 30 -0.968 10.387 -5.238 1.00 1.00 C ATOM 448 C CYS A 30 -0.419 10.554 -3.820 1.00 1.00 C ATOM 449 O CYS A 30 -0.230 9.572 -3.103 1.00 1.00 O ATOM 450 CB CYS A 30 -0.002 10.932 -6.292 1.00 1.00 C ATOM 451 SG CYS A 30 -0.735 11.179 -7.950 1.00 1.00 S ATOM 0 H CYS A 30 -2.353 11.732 -6.052 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.082 9.326 -5.460 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.397 11.884 -5.941 1.00 1.00 H new ATOM 0 HB3 CYS A 30 0.841 10.246 -6.381 1.00 1.00 H new ATOM 0 HG CYS A 30 0.170 11.644 -8.759 1.00 1.00 H new ATOM 456 N VAL A 31 -0.177 11.805 -3.457 1.00 1.00 N ATOM 457 CA VAL A 31 0.346 12.113 -2.137 1.00 1.00 C ATOM 458 C VAL A 31 -0.314 11.197 -1.104 1.00 1.00 C ATOM 459 O VAL A 31 0.373 10.498 -0.361 1.00 1.00 O ATOM 460 CB VAL A 31 0.150 13.599 -1.830 1.00 1.00 C ATOM 461 CG1 VAL A 31 -1.324 13.994 -1.952 1.00 1.00 C ATOM 462 CG2 VAL A 31 0.699 13.951 -0.446 1.00 1.00 C ATOM 0 H VAL A 31 -0.333 12.617 -4.054 1.00 1.00 H new ATOM 0 HA VAL A 31 1.419 11.925 -2.099 1.00 1.00 H new ATOM 0 HB VAL A 31 0.713 14.170 -2.568 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -1.436 15.055 -1.729 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -1.670 13.798 -2.967 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -1.917 13.410 -1.247 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.547 15.013 -0.253 1.00 1.00 H new ATOM 0 HG22 VAL A 31 0.177 13.366 0.312 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.765 13.725 -0.409 1.00 1.00 H new ATOM 472 N THR A 32 -1.638 11.231 -1.092 1.00 1.00 N ATOM 473 CA THR A 32 -2.399 10.412 -0.162 1.00 1.00 C ATOM 474 C THR A 32 -1.700 9.069 0.060 1.00 1.00 C ATOM 475 O THR A 32 -1.732 8.525 1.163 1.00 1.00 O ATOM 476 CB THR A 32 -3.821 10.274 -0.709 1.00 1.00 C ATOM 477 OG1 THR A 32 -4.183 11.602 -1.076 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.832 9.899 0.377 1.00 1.00 C ATOM 0 H THR A 32 -2.204 11.812 -1.711 1.00 1.00 H new ATOM 0 HA THR A 32 -2.457 10.879 0.821 1.00 1.00 H new ATOM 0 HB THR A 32 -3.835 9.519 -1.495 1.00 1.00 H new ATOM 0 HG1 THR A 32 -5.108 11.776 -0.803 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.825 9.814 -0.064 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.550 8.945 0.823 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.842 10.671 1.147 1.00 1.00 H new ATOM 486 N CYS A 33 -1.086 8.575 -1.004 1.00 1.00 N ATOM 487 CA CYS A 33 -0.381 7.306 -0.939 1.00 1.00 C ATOM 488 C CYS A 33 1.122 7.592 -0.925 1.00 1.00 C ATOM 489 O CYS A 33 1.840 7.152 -0.030 1.00 1.00 O ATOM 490 CB CYS A 33 -0.775 6.379 -2.091 1.00 1.00 C ATOM 491 SG CYS A 33 -1.916 5.082 -1.488 1.00 1.00 S ATOM 0 H CYS A 33 -1.062 9.030 -1.916 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.659 6.780 -0.026 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.252 6.954 -2.885 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.116 5.920 -2.521 1.00 1.00 H new ATOM 0 HG CYS A 33 -2.246 4.302 -2.474 1.00 1.00 H new ATOM 496 N HIS A 34 1.563 8.336 -1.940 1.00 1.00 N ATOM 497 CA HIS A 34 2.964 8.711 -2.096 1.00 1.00 C ATOM 498 C HIS A 34 3.278 9.930 -1.209 1.00 1.00 C ATOM 499 O HIS A 34 3.387 11.050 -1.703 1.00 1.00 O ATOM 500 CB HIS A 34 3.259 8.924 -3.589 1.00 1.00 C ATOM 501 CG HIS A 34 3.198 7.701 -4.474 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.204 6.826 -4.563 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.211 7.235 -5.310 1.00 1.00 C ATOM 504 CE1 HIS A 34 3.859 5.853 -5.421 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.637 6.057 -5.911 1.00 1.00 N ATOM 0 H HIS A 34 0.956 8.695 -2.677 1.00 1.00 H new ATOM 0 HA HIS A 34 3.629 7.918 -1.756 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.552 9.658 -3.974 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.253 9.361 -3.680 1.00 1.00 H new ATOM 0 HD1 HIS A 34 5.090 6.887 -4.061 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.255 7.710 -5.474 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.489 5.015 -5.680 1.00 1.00 H new ATOM 513 N HIS A 35 3.416 9.669 0.091 1.00 1.00 N ATOM 514 CA HIS A 35 3.716 10.700 1.079 1.00 1.00 C ATOM 515 C HIS A 35 4.946 11.510 0.629 1.00 1.00 C ATOM 516 O HIS A 35 5.734 11.034 -0.186 1.00 1.00 O ATOM 517 CB HIS A 35 3.864 10.039 2.457 1.00 1.00 C ATOM 518 CG HIS A 35 5.113 9.221 2.688 1.00 1.00 C ATOM 519 ND1 HIS A 35 6.342 9.728 2.548 1.00 1.00 N ATOM 520 CD2 HIS A 35 5.281 7.907 3.056 1.00 1.00 C ATOM 521 CE1 HIS A 35 7.240 8.768 2.818 1.00 1.00 C ATOM 522 NE2 HIS A 35 6.639 7.623 3.138 1.00 1.00 N ATOM 0 H HIS A 35 3.322 8.734 0.487 1.00 1.00 H new ATOM 0 HA HIS A 35 2.903 11.421 1.164 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.825 10.821 3.215 1.00 1.00 H new ATOM 0 HB3 HIS A 35 3.000 9.394 2.619 1.00 1.00 H new ATOM 0 HD2 HIS A 35 4.483 7.206 3.251 1.00 1.00 H new ATOM 0 HE1 HIS A 35 8.311 8.906 2.781 1.00 1.00 H new ATOM 0 HE2 HIS A 35 7.077 6.736 3.387 1.00 1.00 H new ATOM 530 N LEU A 36 5.067 12.709 1.179 1.00 1.00 N ATOM 531 CA LEU A 36 6.182 13.577 0.844 1.00 1.00 C ATOM 532 C LEU A 36 7.374 13.238 1.741 1.00 1.00 C ATOM 533 O LEU A 36 7.197 12.781 2.869 1.00 1.00 O ATOM 534 CB LEU A 36 5.758 15.045 0.913 1.00 1.00 C ATOM 535 CG LEU A 36 4.318 15.348 0.493 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.492 15.839 1.683 1.00 1.00 C ATOM 537 CD2 LEU A 36 4.284 16.336 -0.675 1.00 1.00 C ATOM 0 H LEU A 36 4.411 13.100 1.855 1.00 1.00 H new ATOM 0 HA LEU A 36 6.499 13.409 -0.185 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.899 15.395 1.936 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.430 15.627 0.282 1.00 1.00 H new ATOM 0 HG LEU A 36 3.862 14.422 0.144 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.473 16.047 1.357 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.476 15.071 2.456 1.00 1.00 H new ATOM 0 HD13 LEU A 36 3.938 16.749 2.084 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.249 16.534 -0.954 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.765 17.268 -0.377 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.814 15.910 -1.527 1.00 1.00 H new ATOM 549 N VAL A 37 8.563 13.476 1.206 1.00 1.00 N ATOM 550 CA VAL A 37 9.784 13.202 1.944 1.00 1.00 C ATOM 551 C VAL A 37 10.531 14.514 2.192 1.00 1.00 C ATOM 552 O VAL A 37 11.055 15.120 1.258 1.00 1.00 O ATOM 553 CB VAL A 37 10.627 12.166 1.196 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.981 11.965 1.878 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.876 10.840 1.065 1.00 1.00 C ATOM 0 H VAL A 37 8.706 13.856 0.270 1.00 1.00 H new ATOM 0 HA VAL A 37 9.552 12.771 2.918 1.00 1.00 H new ATOM 0 HB VAL A 37 10.812 12.547 0.191 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.560 11.224 1.326 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.524 12.910 1.895 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.826 11.617 2.899 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.497 10.122 0.530 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.646 10.453 2.058 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.949 11.000 0.514 1.00 1.00 H new ATOM 565 N ASP A 38 10.556 14.914 3.454 1.00 1.00 N ATOM 566 CA ASP A 38 11.230 16.143 3.836 1.00 1.00 C ATOM 567 C ASP A 38 10.728 17.290 2.956 1.00 1.00 C ATOM 568 O ASP A 38 11.509 18.142 2.535 1.00 1.00 O ATOM 569 CB ASP A 38 12.743 16.025 3.642 1.00 1.00 C ATOM 570 CG ASP A 38 13.312 14.618 3.835 1.00 1.00 C ATOM 571 OD1 ASP A 38 13.816 13.998 2.887 1.00 1.00 O ATOM 572 OD2 ASP A 38 13.221 14.153 5.034 1.00 1.00 O ATOM 0 H ASP A 38 10.120 14.409 4.226 1.00 1.00 H new ATOM 0 HA ASP A 38 11.015 16.332 4.888 1.00 1.00 H new ATOM 0 HB2 ASP A 38 12.993 16.367 2.638 1.00 1.00 H new ATOM 0 HB3 ASP A 38 13.237 16.700 4.341 1.00 1.00 H new ATOM 578 N GLY A 39 9.427 17.274 2.704 1.00 1.00 N ATOM 579 CA GLY A 39 8.812 18.302 1.881 1.00 1.00 C ATOM 580 C GLY A 39 9.400 18.298 0.469 1.00 1.00 C ATOM 581 O GLY A 39 9.482 19.343 -0.176 1.00 1.00 O ATOM 0 H GLY A 39 8.782 16.566 3.055 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.736 18.137 1.831 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.964 19.279 2.339 1.00 1.00 H new ATOM 585 N LYS A 40 9.795 17.112 0.029 1.00 1.00 N ATOM 586 CA LYS A 40 10.372 16.959 -1.295 1.00 1.00 C ATOM 587 C LYS A 40 9.566 15.923 -2.082 1.00 1.00 C ATOM 588 O LYS A 40 9.745 14.721 -1.896 1.00 1.00 O ATOM 589 CB LYS A 40 11.863 16.630 -1.194 1.00 1.00 C ATOM 590 CG LYS A 40 12.683 17.503 -2.147 1.00 1.00 C ATOM 591 CD LYS A 40 13.159 18.778 -1.448 1.00 1.00 C ATOM 592 CE LYS A 40 12.815 20.018 -2.276 1.00 1.00 C ATOM 593 NZ LYS A 40 12.512 21.165 -1.391 1.00 1.00 N ATOM 0 H LYS A 40 9.727 16.248 0.567 1.00 1.00 H new ATOM 0 HA LYS A 40 10.312 17.897 -1.847 1.00 1.00 H new ATOM 0 HB2 LYS A 40 12.204 16.783 -0.170 1.00 1.00 H new ATOM 0 HB3 LYS A 40 12.024 15.578 -1.430 1.00 1.00 H new ATOM 0 HG2 LYS A 40 13.543 16.941 -2.512 1.00 1.00 H new ATOM 0 HG3 LYS A 40 12.080 17.764 -3.017 1.00 1.00 H new ATOM 0 HD2 LYS A 40 12.695 18.853 -0.465 1.00 1.00 H new ATOM 0 HD3 LYS A 40 14.236 18.730 -1.289 1.00 1.00 H new ATOM 0 HE2 LYS A 40 13.649 20.268 -2.932 1.00 1.00 H new ATOM 0 HE3 LYS A 40 11.958 19.809 -2.916 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 12.281 21.998 -1.969 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 11.702 20.930 -0.783 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 13.340 21.374 -0.798 1.00 1.00 H new ATOM 606 N GLU A 41 8.696 16.428 -2.944 1.00 1.00 N ATOM 607 CA GLU A 41 7.861 15.562 -3.759 1.00 1.00 C ATOM 608 C GLU A 41 8.717 14.501 -4.453 1.00 1.00 C ATOM 609 O GLU A 41 9.617 14.830 -5.225 1.00 1.00 O ATOM 610 CB GLU A 41 7.061 16.374 -4.780 1.00 1.00 C ATOM 611 CG GLU A 41 7.992 17.138 -5.724 1.00 1.00 C ATOM 612 CD GLU A 41 7.210 18.147 -6.567 1.00 1.00 C ATOM 613 OE1 GLU A 41 6.168 18.652 -6.122 1.00 1.00 O ATOM 614 OE2 GLU A 41 7.720 18.404 -7.723 1.00 1.00 O ATOM 0 H GLU A 41 8.551 17.426 -3.096 1.00 1.00 H new ATOM 0 HA GLU A 41 7.148 15.057 -3.106 1.00 1.00 H new ATOM 0 HB2 GLU A 41 6.419 15.708 -5.357 1.00 1.00 H new ATOM 0 HB3 GLU A 41 6.408 17.076 -4.261 1.00 1.00 H new ATOM 0 HG2 GLU A 41 8.756 17.657 -5.146 1.00 1.00 H new ATOM 0 HG3 GLU A 41 8.509 16.436 -6.378 1.00 1.00 H new ATOM 622 N SER A 42 8.408 13.248 -4.153 1.00 1.00 N ATOM 623 CA SER A 42 9.137 12.136 -4.739 1.00 1.00 C ATOM 624 C SER A 42 8.184 10.971 -5.012 1.00 1.00 C ATOM 625 O SER A 42 7.102 10.863 -4.438 1.00 1.00 O ATOM 626 CB SER A 42 10.279 11.685 -3.825 1.00 1.00 C ATOM 627 OG SER A 42 11.152 10.767 -4.477 1.00 1.00 O ATOM 0 H SER A 42 7.662 12.978 -3.511 1.00 1.00 H new ATOM 0 HA SER A 42 9.571 12.470 -5.681 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.847 12.556 -3.498 1.00 1.00 H new ATOM 0 HB3 SER A 42 9.865 11.219 -2.930 1.00 1.00 H new ATOM 0 HG SER A 42 11.868 10.504 -3.862 1.00 1.00 H new ATOM 633 N TYR A 43 8.617 10.088 -5.915 1.00 1.00 N ATOM 634 CA TYR A 43 7.830 8.929 -6.287 1.00 1.00 C ATOM 635 C TYR A 43 8.736 7.715 -6.432 1.00 1.00 C ATOM 636 O TYR A 43 8.723 7.086 -7.489 1.00 1.00 O ATOM 637 CB TYR A 43 7.094 9.214 -7.594 1.00 1.00 C ATOM 638 CG TYR A 43 6.049 10.297 -7.473 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.440 11.635 -7.342 1.00 1.00 C ATOM 640 CD2 TYR A 43 4.690 9.964 -7.493 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.472 12.640 -7.231 1.00 1.00 C ATOM 642 CE2 TYR A 43 3.721 10.969 -7.382 1.00 1.00 C ATOM 643 CZ TYR A 43 4.112 12.306 -7.251 1.00 1.00 C ATOM 644 OH TYR A 43 3.168 13.285 -7.143 1.00 1.00 O ATOM 0 H TYR A 43 9.512 10.161 -6.399 1.00 1.00 H new ATOM 0 HA TYR A 43 7.096 8.718 -5.510 1.00 1.00 H new ATOM 0 HB2 TYR A 43 7.819 9.503 -8.355 1.00 1.00 H new ATOM 0 HB3 TYR A 43 6.617 8.297 -7.941 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.489 11.892 -7.327 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.388 8.932 -7.594 1.00 1.00 H new ATOM 0 HE1 TYR A 43 5.774 13.672 -7.130 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.672 10.712 -7.398 1.00 1.00 H new ATOM 0 HH TYR A 43 2.275 12.883 -7.176 1.00 1.00 H new ATOM 654 N ALA A 44 9.494 7.413 -5.388 1.00 1.00 N ATOM 655 CA ALA A 44 10.395 6.273 -5.422 1.00 1.00 C ATOM 656 C ALA A 44 9.730 5.082 -4.729 1.00 1.00 C ATOM 657 O ALA A 44 8.958 5.259 -3.787 1.00 1.00 O ATOM 658 CB ALA A 44 11.727 6.655 -4.774 1.00 1.00 C ATOM 0 H ALA A 44 9.503 7.938 -4.513 1.00 1.00 H new ATOM 0 HA ALA A 44 10.605 5.981 -6.451 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.403 5.800 -4.800 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.173 7.486 -5.321 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.556 6.952 -3.739 1.00 1.00 H new ATOM 664 N LYS A 45 10.054 3.895 -5.220 1.00 1.00 N ATOM 665 CA LYS A 45 9.497 2.676 -4.660 1.00 1.00 C ATOM 666 C LYS A 45 9.772 2.640 -3.155 1.00 1.00 C ATOM 667 O LYS A 45 10.773 3.183 -2.690 1.00 1.00 O ATOM 668 CB LYS A 45 10.025 1.452 -5.411 1.00 1.00 C ATOM 669 CG LYS A 45 11.520 1.251 -5.151 1.00 1.00 C ATOM 670 CD LYS A 45 12.167 0.439 -6.274 1.00 1.00 C ATOM 671 CE LYS A 45 12.871 1.354 -7.278 1.00 1.00 C ATOM 672 NZ LYS A 45 13.056 0.660 -8.572 1.00 1.00 N ATOM 0 H LYS A 45 10.696 3.752 -6.000 1.00 1.00 H new ATOM 0 HA LYS A 45 8.415 2.657 -4.788 1.00 1.00 H new ATOM 0 HB2 LYS A 45 9.475 0.564 -5.098 1.00 1.00 H new ATOM 0 HB3 LYS A 45 9.851 1.574 -6.480 1.00 1.00 H new ATOM 0 HG2 LYS A 45 12.012 2.220 -5.068 1.00 1.00 H new ATOM 0 HG3 LYS A 45 11.662 0.739 -4.199 1.00 1.00 H new ATOM 0 HD2 LYS A 45 12.885 -0.264 -5.852 1.00 1.00 H new ATOM 0 HD3 LYS A 45 11.406 -0.151 -6.786 1.00 1.00 H new ATOM 0 HE2 LYS A 45 12.284 2.261 -7.426 1.00 1.00 H new ATOM 0 HE3 LYS A 45 13.839 1.661 -6.882 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 13.535 1.296 -9.241 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 13.635 -0.192 -8.429 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 12.128 0.388 -8.956 1.00 1.00 H new ATOM 685 N CYS A 46 8.865 1.995 -2.436 1.00 1.00 N ATOM 686 CA CYS A 46 8.997 1.881 -0.993 1.00 1.00 C ATOM 687 C CYS A 46 10.399 1.355 -0.679 1.00 1.00 C ATOM 688 O CYS A 46 10.976 1.693 0.354 1.00 1.00 O ATOM 689 CB CYS A 46 7.907 0.991 -0.394 1.00 1.00 C ATOM 690 SG CYS A 46 6.229 1.273 -1.069 1.00 1.00 S ATOM 0 H CYS A 46 8.036 1.546 -2.825 1.00 1.00 H new ATOM 0 HA CYS A 46 8.866 2.861 -0.535 1.00 1.00 H new ATOM 0 HB2 CYS A 46 8.179 -0.052 -0.557 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.881 1.148 0.684 1.00 1.00 H new ATOM 0 HG CYS A 46 5.388 0.466 -0.493 1.00 1.00 H new ATOM 695 N GLY A 47 10.908 0.537 -1.589 1.00 1.00 N ATOM 696 CA GLY A 47 12.231 -0.038 -1.422 1.00 1.00 C ATOM 697 C GLY A 47 13.288 0.796 -2.150 1.00 1.00 C ATOM 698 O GLY A 47 14.032 0.275 -2.979 1.00 1.00 O ATOM 0 H GLY A 47 10.427 0.259 -2.445 1.00 1.00 H new ATOM 0 HA2 GLY A 47 12.475 -0.095 -0.361 1.00 1.00 H new ATOM 0 HA3 GLY A 47 12.239 -1.058 -1.807 1.00 1.00 H new ATOM 702 N SER A 48 13.319 2.077 -1.814 1.00 1.00 N ATOM 703 CA SER A 48 14.272 2.988 -2.425 1.00 1.00 C ATOM 704 C SER A 48 15.359 3.363 -1.416 1.00 1.00 C ATOM 705 O SER A 48 15.228 3.085 -0.225 1.00 1.00 O ATOM 706 CB SER A 48 13.575 4.246 -2.946 1.00 1.00 C ATOM 707 OG SER A 48 14.507 5.246 -3.348 1.00 1.00 O ATOM 0 H SER A 48 12.699 2.506 -1.126 1.00 1.00 H new ATOM 0 HA SER A 48 14.732 2.482 -3.274 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.938 3.984 -3.791 1.00 1.00 H new ATOM 0 HB3 SER A 48 12.925 4.648 -2.169 1.00 1.00 H new ATOM 0 HG SER A 48 14.062 6.119 -3.369 1.00 1.00 H new ATOM 713 N SER A 49 16.409 3.988 -1.929 1.00 1.00 N ATOM 714 CA SER A 49 17.518 4.404 -1.088 1.00 1.00 C ATOM 715 C SER A 49 16.991 5.139 0.146 1.00 1.00 C ATOM 716 O SER A 49 16.228 6.096 0.024 1.00 1.00 O ATOM 717 CB SER A 49 18.492 5.294 -1.861 1.00 1.00 C ATOM 718 OG SER A 49 19.482 4.533 -2.547 1.00 1.00 O ATOM 0 H SER A 49 16.515 4.216 -2.917 1.00 1.00 H new ATOM 0 HA SER A 49 18.059 3.513 -0.769 1.00 1.00 H new ATOM 0 HB2 SER A 49 17.938 5.899 -2.579 1.00 1.00 H new ATOM 0 HB3 SER A 49 18.979 5.983 -1.171 1.00 1.00 H new ATOM 0 HG SER A 49 20.083 5.138 -3.030 1.00 1.00 H new ATOM 724 N GLY A 50 17.420 4.664 1.306 1.00 1.00 N ATOM 725 CA GLY A 50 17.002 5.265 2.562 1.00 1.00 C ATOM 726 C GLY A 50 15.476 5.313 2.665 1.00 1.00 C ATOM 727 O GLY A 50 14.897 6.378 2.874 1.00 1.00 O ATOM 0 H GLY A 50 18.053 3.870 1.403 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.409 4.693 3.396 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.407 6.274 2.639 1.00 1.00 H new ATOM 731 N CYS A 51 14.868 4.145 2.513 1.00 1.00 N ATOM 732 CA CYS A 51 13.420 4.040 2.586 1.00 1.00 C ATOM 733 C CYS A 51 13.068 2.695 3.225 1.00 1.00 C ATOM 734 O CYS A 51 13.778 2.209 4.102 1.00 1.00 O ATOM 735 CB CYS A 51 12.771 4.207 1.211 1.00 1.00 C ATOM 736 SG CYS A 51 13.494 5.649 0.347 1.00 1.00 S ATOM 0 H CYS A 51 15.351 3.264 2.340 1.00 1.00 H new ATOM 0 HA CYS A 51 13.024 4.848 3.202 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.920 3.305 0.618 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.695 4.341 1.322 1.00 1.00 H new ATOM 0 HG CYS A 51 14.752 5.426 0.109 1.00 1.00 H new ATOM 741 N HIS A 52 11.959 2.122 2.756 1.00 1.00 N ATOM 742 CA HIS A 52 11.464 0.840 3.243 1.00 1.00 C ATOM 743 C HIS A 52 11.971 -0.293 2.332 1.00 1.00 C ATOM 744 O HIS A 52 11.287 -0.678 1.385 1.00 1.00 O ATOM 745 CB HIS A 52 9.935 0.912 3.370 1.00 1.00 C ATOM 746 CG HIS A 52 9.354 2.226 3.838 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.352 2.595 5.122 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.752 3.249 3.145 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.773 3.802 5.226 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.384 4.252 4.034 1.00 1.00 N ATOM 0 H HIS A 52 11.380 2.537 2.026 1.00 1.00 H new ATOM 0 HA HIS A 52 11.849 0.615 4.238 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.501 0.675 2.398 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.614 0.133 4.061 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.729 2.049 5.897 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.590 3.270 2.077 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.640 4.338 6.154 1.00 1.00 H new ATOM 758 N ASP A 53 13.157 -0.790 2.652 1.00 1.00 N ATOM 759 CA ASP A 53 13.753 -1.865 1.876 1.00 1.00 C ATOM 760 C ASP A 53 14.405 -2.872 2.824 1.00 1.00 C ATOM 761 O ASP A 53 15.588 -3.181 2.689 1.00 1.00 O ATOM 762 CB ASP A 53 14.835 -1.330 0.936 1.00 1.00 C ATOM 763 CG ASP A 53 14.991 -2.102 -0.376 1.00 1.00 C ATOM 764 OD1 ASP A 53 16.109 -2.457 -0.779 1.00 1.00 O ATOM 765 OD2 ASP A 53 13.889 -2.341 -1.002 1.00 1.00 O ATOM 0 H ASP A 53 13.721 -0.468 3.438 1.00 1.00 H new ATOM 0 HA ASP A 53 12.964 -2.334 1.288 1.00 1.00 H new ATOM 0 HB2 ASP A 53 14.611 -0.289 0.703 1.00 1.00 H new ATOM 0 HB3 ASP A 53 15.790 -1.340 1.462 1.00 1.00 H new ATOM 771 N ASP A 54 13.606 -3.357 3.763 1.00 1.00 N ATOM 772 CA ASP A 54 14.091 -4.323 4.733 1.00 1.00 C ATOM 773 C ASP A 54 12.923 -5.187 5.214 1.00 1.00 C ATOM 774 O ASP A 54 12.147 -4.767 6.071 1.00 1.00 O ATOM 775 CB ASP A 54 14.694 -3.623 5.953 1.00 1.00 C ATOM 776 CG ASP A 54 16.149 -3.987 6.253 1.00 1.00 C ATOM 777 OD1 ASP A 54 16.511 -4.280 7.403 1.00 1.00 O ATOM 778 OD2 ASP A 54 16.939 -3.962 5.233 1.00 1.00 O ATOM 0 H ASP A 54 12.625 -3.099 3.872 1.00 1.00 H new ATOM 0 HA ASP A 54 14.856 -4.930 4.250 1.00 1.00 H new ATOM 0 HB2 ASP A 54 14.628 -2.545 5.804 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.088 -3.862 6.827 1.00 1.00 H new ATOM 784 N LEU A 55 12.835 -6.378 4.640 1.00 1.00 N ATOM 785 CA LEU A 55 11.775 -7.305 4.999 1.00 1.00 C ATOM 786 C LEU A 55 12.269 -8.234 6.109 1.00 1.00 C ATOM 787 O LEU A 55 11.684 -9.289 6.348 1.00 1.00 O ATOM 788 CB LEU A 55 11.267 -8.044 3.759 1.00 1.00 C ATOM 789 CG LEU A 55 12.298 -8.289 2.655 1.00 1.00 C ATOM 790 CD1 LEU A 55 11.964 -9.556 1.865 1.00 1.00 C ATOM 791 CD2 LEU A 55 12.430 -7.065 1.747 1.00 1.00 C ATOM 0 H LEU A 55 13.480 -6.722 3.929 1.00 1.00 H new ATOM 0 HA LEU A 55 10.915 -6.765 5.395 1.00 1.00 H new ATOM 0 HB2 LEU A 55 10.865 -9.007 4.074 1.00 1.00 H new ATOM 0 HB3 LEU A 55 10.439 -7.476 3.336 1.00 1.00 H new ATOM 0 HG LEU A 55 13.269 -8.448 3.123 1.00 1.00 H new ATOM 0 HD11 LEU A 55 12.712 -9.707 1.087 1.00 1.00 H new ATOM 0 HD12 LEU A 55 11.961 -10.414 2.537 1.00 1.00 H new ATOM 0 HD13 LEU A 55 10.980 -9.451 1.407 1.00 1.00 H new ATOM 0 HD21 LEU A 55 13.169 -7.266 0.971 1.00 1.00 H new ATOM 0 HD22 LEU A 55 11.467 -6.850 1.284 1.00 1.00 H new ATOM 0 HD23 LEU A 55 12.748 -6.206 2.338 1.00 1.00 H new ATOM 803 N THR A 56 13.343 -7.808 6.759 1.00 1.00 N ATOM 804 CA THR A 56 13.924 -8.589 7.838 1.00 1.00 C ATOM 805 C THR A 56 13.597 -7.953 9.191 1.00 1.00 C ATOM 806 O THR A 56 13.170 -8.641 10.117 1.00 1.00 O ATOM 807 CB THR A 56 15.425 -8.718 7.574 1.00 1.00 C ATOM 808 OG1 THR A 56 15.573 -10.033 7.045 1.00 1.00 O ATOM 809 CG2 THR A 56 16.247 -8.741 8.865 1.00 1.00 C ATOM 0 H THR A 56 13.826 -6.932 6.559 1.00 1.00 H new ATOM 0 HA THR A 56 13.499 -9.592 7.874 1.00 1.00 H new ATOM 0 HB THR A 56 15.756 -7.889 6.948 1.00 1.00 H new ATOM 0 HG1 THR A 56 16.517 -10.200 6.844 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.305 -8.834 8.621 1.00 1.00 H new ATOM 0 HG22 THR A 56 16.082 -7.816 9.418 1.00 1.00 H new ATOM 0 HG23 THR A 56 15.940 -9.589 9.477 1.00 1.00 H new ATOM 817 N ALA A 57 13.811 -6.647 9.262 1.00 1.00 N ATOM 818 CA ALA A 57 13.544 -5.911 10.486 1.00 1.00 C ATOM 819 C ALA A 57 12.262 -6.444 11.128 1.00 1.00 C ATOM 820 O ALA A 57 12.288 -6.952 12.248 1.00 1.00 O ATOM 821 CB ALA A 57 13.463 -4.416 10.175 1.00 1.00 C ATOM 0 H ALA A 57 14.166 -6.080 8.492 1.00 1.00 H new ATOM 0 HA ALA A 57 14.353 -6.051 11.202 1.00 1.00 H new ATOM 0 HB1 ALA A 57 13.263 -3.864 11.093 1.00 1.00 H new ATOM 0 HB2 ALA A 57 14.409 -4.081 9.749 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.660 -4.236 9.461 1.00 1.00 H new ATOM 827 N LYS A 58 11.169 -6.311 10.390 1.00 1.00 N ATOM 828 CA LYS A 58 9.879 -6.772 10.873 1.00 1.00 C ATOM 829 C LYS A 58 9.183 -5.634 11.622 1.00 1.00 C ATOM 830 O LYS A 58 7.956 -5.547 11.623 1.00 1.00 O ATOM 831 CB LYS A 58 10.043 -8.046 11.705 1.00 1.00 C ATOM 832 CG LYS A 58 8.866 -9.000 11.485 1.00 1.00 C ATOM 833 CD LYS A 58 7.620 -8.514 12.228 1.00 1.00 C ATOM 834 CE LYS A 58 6.588 -9.635 12.359 1.00 1.00 C ATOM 835 NZ LYS A 58 6.453 -10.054 13.772 1.00 1.00 N ATOM 0 H LYS A 58 11.151 -5.890 9.461 1.00 1.00 H new ATOM 0 HA LYS A 58 9.235 -7.045 10.037 1.00 1.00 H new ATOM 0 HB2 LYS A 58 10.974 -8.544 11.435 1.00 1.00 H new ATOM 0 HB3 LYS A 58 10.114 -7.788 12.762 1.00 1.00 H new ATOM 0 HG2 LYS A 58 8.651 -9.078 10.419 1.00 1.00 H new ATOM 0 HG3 LYS A 58 9.133 -9.999 11.830 1.00 1.00 H new ATOM 0 HD2 LYS A 58 7.900 -8.155 13.218 1.00 1.00 H new ATOM 0 HD3 LYS A 58 7.180 -7.671 11.695 1.00 1.00 H new ATOM 0 HE2 LYS A 58 5.624 -9.295 11.981 1.00 1.00 H new ATOM 0 HE3 LYS A 58 6.888 -10.487 11.748 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 5.748 -10.816 13.842 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 7.370 -10.398 14.121 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 6.145 -9.244 14.347 1.00 1.00 H new ATOM 848 N LYS A 59 9.996 -4.792 12.241 1.00 1.00 N ATOM 849 CA LYS A 59 9.473 -3.663 12.992 1.00 1.00 C ATOM 850 C LYS A 59 10.411 -2.466 12.824 1.00 1.00 C ATOM 851 O LYS A 59 11.631 -2.622 12.831 1.00 1.00 O ATOM 852 CB LYS A 59 9.233 -4.055 14.452 1.00 1.00 C ATOM 853 CG LYS A 59 7.841 -4.664 14.634 1.00 1.00 C ATOM 854 CD LYS A 59 7.101 -4.002 15.797 1.00 1.00 C ATOM 855 CE LYS A 59 6.284 -5.029 16.583 1.00 1.00 C ATOM 856 NZ LYS A 59 6.197 -4.641 18.009 1.00 1.00 N ATOM 0 H LYS A 59 11.013 -4.868 12.238 1.00 1.00 H new ATOM 0 HA LYS A 59 8.500 -3.364 12.602 1.00 1.00 H new ATOM 0 HB2 LYS A 59 9.991 -4.771 14.770 1.00 1.00 H new ATOM 0 HB3 LYS A 59 9.336 -3.177 15.090 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.265 -4.544 13.716 1.00 1.00 H new ATOM 0 HG3 LYS A 59 7.930 -5.735 14.817 1.00 1.00 H new ATOM 0 HD2 LYS A 59 7.818 -3.518 16.460 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.442 -3.222 15.416 1.00 1.00 H new ATOM 0 HE2 LYS A 59 5.283 -5.107 16.160 1.00 1.00 H new ATOM 0 HE3 LYS A 59 6.745 -6.013 16.495 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 5.639 -5.349 18.528 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 7.154 -4.589 18.414 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 5.737 -3.712 18.088 1.00 1.00 H new ATOM 869 N GLY A 60 9.805 -1.296 12.677 1.00 1.00 N ATOM 870 CA GLY A 60 10.571 -0.073 12.507 1.00 1.00 C ATOM 871 C GLY A 60 10.178 0.645 11.214 1.00 1.00 C ATOM 872 O GLY A 60 9.330 0.162 10.465 1.00 1.00 O ATOM 0 H GLY A 60 8.793 -1.170 12.672 1.00 1.00 H new ATOM 0 HA2 GLY A 60 10.404 0.586 13.359 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.636 -0.306 12.489 1.00 1.00 H new ATOM 876 N GLU A 61 10.813 1.786 10.992 1.00 1.00 N ATOM 877 CA GLU A 61 10.540 2.575 9.803 1.00 1.00 C ATOM 878 C GLU A 61 11.382 2.072 8.628 1.00 1.00 C ATOM 879 O GLU A 61 11.525 2.765 7.621 1.00 1.00 O ATOM 880 CB GLU A 61 10.793 4.062 10.061 1.00 1.00 C ATOM 881 CG GLU A 61 12.066 4.266 10.885 1.00 1.00 C ATOM 882 CD GLU A 61 11.741 4.391 12.375 1.00 1.00 C ATOM 883 OE1 GLU A 61 10.882 5.199 12.757 1.00 1.00 O ATOM 884 OE2 GLU A 61 12.417 3.610 13.148 1.00 1.00 O ATOM 0 H GLU A 61 11.516 2.183 11.615 1.00 1.00 H new ATOM 0 HA GLU A 61 9.487 2.458 9.547 1.00 1.00 H new ATOM 0 HB2 GLU A 61 10.882 4.590 9.111 1.00 1.00 H new ATOM 0 HB3 GLU A 61 9.942 4.494 10.587 1.00 1.00 H new ATOM 0 HG2 GLU A 61 12.744 3.428 10.726 1.00 1.00 H new ATOM 0 HG3 GLU A 61 12.583 5.163 10.545 1.00 1.00 H new ATOM 892 N LYS A 62 11.916 0.872 8.795 1.00 1.00 N ATOM 893 CA LYS A 62 12.739 0.268 7.761 1.00 1.00 C ATOM 894 C LYS A 62 12.165 -1.101 7.392 1.00 1.00 C ATOM 895 O LYS A 62 12.911 -2.026 7.073 1.00 1.00 O ATOM 896 CB LYS A 62 14.204 0.222 8.200 1.00 1.00 C ATOM 897 CG LYS A 62 14.666 1.589 8.710 1.00 1.00 C ATOM 898 CD LYS A 62 15.825 2.126 7.868 1.00 1.00 C ATOM 899 CE LYS A 62 16.154 3.571 8.246 1.00 1.00 C ATOM 900 NZ LYS A 62 16.110 4.442 7.050 1.00 1.00 N ATOM 0 H LYS A 62 11.795 0.301 9.631 1.00 1.00 H new ATOM 0 HA LYS A 62 12.720 0.876 6.857 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.329 -0.524 8.985 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.829 -0.088 7.362 1.00 1.00 H new ATOM 0 HG2 LYS A 62 13.834 2.292 8.680 1.00 1.00 H new ATOM 0 HG3 LYS A 62 14.976 1.506 9.752 1.00 1.00 H new ATOM 0 HD2 LYS A 62 16.705 1.499 8.012 1.00 1.00 H new ATOM 0 HD3 LYS A 62 15.566 2.073 6.811 1.00 1.00 H new ATOM 0 HE2 LYS A 62 15.443 3.929 8.991 1.00 1.00 H new ATOM 0 HE3 LYS A 62 17.143 3.618 8.701 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 16.336 5.420 7.324 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 16.805 4.109 6.352 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 15.158 4.411 6.632 1.00 1.00 H new ATOM 913 N SER A 63 10.844 -1.188 7.448 1.00 1.00 N ATOM 914 CA SER A 63 10.161 -2.429 7.124 1.00 1.00 C ATOM 915 C SER A 63 9.002 -2.153 6.164 1.00 1.00 C ATOM 916 O SER A 63 8.293 -1.158 6.310 1.00 1.00 O ATOM 917 CB SER A 63 9.649 -3.122 8.388 1.00 1.00 C ATOM 918 OG SER A 63 9.505 -4.528 8.205 1.00 1.00 O ATOM 0 H SER A 63 10.228 -0.419 7.713 1.00 1.00 H new ATOM 0 HA SER A 63 10.875 -3.096 6.640 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.339 -2.932 9.210 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.688 -2.693 8.673 1.00 1.00 H new ATOM 0 HG SER A 63 9.031 -4.911 8.973 1.00 1.00 H new ATOM 924 N LEU A 64 8.845 -3.052 5.203 1.00 1.00 N ATOM 925 CA LEU A 64 7.784 -2.917 4.219 1.00 1.00 C ATOM 926 C LEU A 64 6.606 -3.807 4.621 1.00 1.00 C ATOM 927 O LEU A 64 5.926 -4.406 3.790 1.00 1.00 O ATOM 928 CB LEU A 64 8.318 -3.201 2.814 1.00 1.00 C ATOM 929 CG LEU A 64 7.336 -2.966 1.664 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.918 -1.497 1.591 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.916 -3.463 0.338 1.00 1.00 C ATOM 0 H LEU A 64 9.434 -3.876 5.085 1.00 1.00 H new ATOM 0 HA LEU A 64 7.415 -1.892 4.194 1.00 1.00 H new ATOM 0 HB2 LEU A 64 9.197 -2.578 2.648 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.650 -4.238 2.776 1.00 1.00 H new ATOM 0 HG LEU A 64 6.435 -3.547 1.860 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.220 -1.358 0.765 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.437 -1.209 2.525 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.799 -0.876 1.430 1.00 1.00 H new ATOM 0 HD21 LEU A 64 7.198 -3.284 -0.463 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.841 -2.928 0.122 1.00 1.00 H new ATOM 0 HD23 LEU A 64 8.122 -4.531 0.409 1.00 1.00 H new ATOM 943 N TYR A 65 6.377 -3.881 5.934 1.00 1.00 N ATOM 944 CA TYR A 65 5.299 -4.684 6.477 1.00 1.00 C ATOM 945 C TYR A 65 4.482 -3.855 7.458 1.00 1.00 C ATOM 946 O TYR A 65 3.269 -4.025 7.559 1.00 1.00 O ATOM 947 CB TYR A 65 5.881 -5.916 7.163 1.00 1.00 C ATOM 948 CG TYR A 65 4.992 -6.478 8.247 1.00 1.00 C ATOM 949 CD1 TYR A 65 3.997 -7.409 7.924 1.00 1.00 C ATOM 950 CD2 TYR A 65 5.163 -6.069 9.575 1.00 1.00 C ATOM 951 CE1 TYR A 65 3.173 -7.930 8.929 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.339 -6.589 10.580 1.00 1.00 C ATOM 953 CZ TYR A 65 3.344 -7.520 10.256 1.00 1.00 C ATOM 954 OH TYR A 65 2.540 -8.027 11.235 1.00 1.00 O ATOM 0 H TYR A 65 6.930 -3.390 6.636 1.00 1.00 H new ATOM 0 HA TYR A 65 4.641 -5.010 5.672 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.061 -6.688 6.415 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.848 -5.659 7.594 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.865 -7.725 6.900 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.931 -5.352 9.824 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.406 -8.648 8.680 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.470 -6.273 11.604 1.00 1.00 H new ATOM 0 HH TYR A 65 2.792 -7.639 12.099 1.00 1.00 H new ATOM 964 N TYR A 66 5.151 -2.955 8.182 1.00 1.00 N ATOM 965 CA TYR A 66 4.485 -2.108 9.150 1.00 1.00 C ATOM 966 C TYR A 66 3.957 -0.856 8.464 1.00 1.00 C ATOM 967 O TYR A 66 3.313 -0.042 9.125 1.00 1.00 O ATOM 968 CB TYR A 66 5.463 -1.742 10.263 1.00 1.00 C ATOM 969 CG TYR A 66 4.844 -0.910 11.361 1.00 1.00 C ATOM 970 CD1 TYR A 66 4.127 -1.532 12.390 1.00 1.00 C ATOM 971 CD2 TYR A 66 4.988 0.482 11.349 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.554 -0.761 13.408 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.415 1.253 12.368 1.00 1.00 C ATOM 974 CZ TYR A 66 3.698 0.632 13.397 1.00 1.00 C ATOM 975 OH TYR A 66 3.139 1.383 14.389 1.00 1.00 O ATOM 0 H TYR A 66 6.157 -2.800 8.109 1.00 1.00 H new ATOM 0 HA TYR A 66 3.641 -2.643 9.586 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.867 -2.657 10.696 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.302 -1.195 9.833 1.00 1.00 H new ATOM 0 HD1 TYR A 66 4.016 -2.606 12.398 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.541 0.961 10.554 1.00 1.00 H new ATOM 0 HE1 TYR A 66 3.001 -1.240 14.202 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.526 2.327 12.360 1.00 1.00 H new ATOM 0 HH TYR A 66 3.334 2.330 14.231 1.00 1.00 H new ATOM 985 N VAL A 67 4.231 -0.726 7.175 1.00 1.00 N ATOM 986 CA VAL A 67 3.773 0.432 6.425 1.00 1.00 C ATOM 987 C VAL A 67 2.830 -0.027 5.311 1.00 1.00 C ATOM 988 O VAL A 67 2.367 0.784 4.512 1.00 1.00 O ATOM 989 CB VAL A 67 4.973 1.225 5.904 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.950 1.550 7.036 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.676 0.475 4.771 1.00 1.00 C ATOM 0 H VAL A 67 4.765 -1.403 6.630 1.00 1.00 H new ATOM 0 HA VAL A 67 3.209 1.106 7.070 1.00 1.00 H new ATOM 0 HB VAL A 67 4.602 2.168 5.502 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.794 2.114 6.638 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.442 2.144 7.796 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.311 0.623 7.482 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.525 1.061 4.419 1.00 1.00 H new ATOM 0 HG22 VAL A 67 6.027 -0.490 5.136 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.977 0.319 3.949 1.00 1.00 H new ATOM 1001 N VAL A 68 2.575 -1.327 5.295 1.00 1.00 N ATOM 1002 CA VAL A 68 1.695 -1.904 4.292 1.00 1.00 C ATOM 1003 C VAL A 68 0.330 -2.188 4.920 1.00 1.00 C ATOM 1004 O VAL A 68 -0.708 -1.867 4.344 1.00 1.00 O ATOM 1005 CB VAL A 68 2.343 -3.149 3.682 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.281 -4.117 3.156 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.332 -2.767 2.579 1.00 1.00 C ATOM 0 H VAL A 68 2.962 -1.997 5.960 1.00 1.00 H new ATOM 0 HA VAL A 68 1.536 -1.202 3.474 1.00 1.00 H new ATOM 0 HB VAL A 68 2.900 -3.658 4.469 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.768 -4.993 2.728 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.633 -4.426 3.976 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.685 -3.622 2.389 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.779 -3.670 2.162 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.808 -2.225 1.792 1.00 1.00 H new ATOM 0 HG23 VAL A 68 4.115 -2.134 2.996 1.00 1.00 H new ATOM 1017 N HIS A 69 0.370 -2.793 6.108 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.830 -3.143 6.859 1.00 1.00 C ATOM 1019 C HIS A 69 -1.120 -2.059 7.913 1.00 1.00 C ATOM 1020 O HIS A 69 -1.954 -1.184 7.686 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.660 -4.556 7.436 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.198 -5.631 6.479 1.00 1.00 C ATOM 1023 ND1 HIS A 69 1.093 -5.869 6.233 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.905 -6.526 5.712 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.188 -6.873 5.348 1.00 1.00 C ATOM 1026 NE2 HIS A 69 -0.017 -7.316 4.992 1.00 1.00 N ATOM 0 H HIS A 69 1.239 -3.053 6.575 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.709 -3.171 6.216 1.00 1.00 H new ATOM 0 HB2 HIS A 69 0.053 -4.504 8.258 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.614 -4.867 7.861 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.878 -5.369 6.650 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -1.982 -6.603 5.675 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.120 -7.270 4.973 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.418 -2.155 9.032 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.592 -1.196 10.109 1.00 1.00 C ATOM 1036 C ALA A 70 -1.891 -0.418 9.889 1.00 1.00 C ATOM 1037 O ALA A 70 -1.893 0.622 9.232 1.00 1.00 O ATOM 1038 CB ALA A 70 0.631 -0.279 10.180 1.00 1.00 C ATOM 0 H ALA A 70 0.273 -2.883 9.216 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.672 -1.708 11.068 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.500 0.440 10.988 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.523 -0.876 10.367 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.742 0.253 9.235 1.00 1.00 H new ATOM 1044 N ARG A 71 -2.966 -0.953 10.450 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.269 -0.322 10.323 1.00 1.00 C ATOM 1046 C ARG A 71 -4.556 0.554 11.544 1.00 1.00 C ATOM 1047 O ARG A 71 -5.714 0.788 11.887 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.376 -1.369 10.183 1.00 1.00 C ATOM 1049 CG ARG A 71 -6.699 -0.716 9.777 1.00 1.00 C ATOM 1050 CD ARG A 71 -7.773 -0.945 10.842 1.00 1.00 C ATOM 1051 NE ARG A 71 -8.669 0.230 10.918 1.00 1.00 N ATOM 1052 CZ ARG A 71 -9.482 0.496 11.963 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -9.519 -0.331 13.029 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -10.240 1.576 11.925 1.00 1.00 N ATOM 0 H ARG A 71 -2.961 -1.816 10.993 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.253 0.295 9.425 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -5.088 -2.110 9.438 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.502 -1.899 11.127 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -6.550 0.354 9.629 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -7.034 -1.126 8.824 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -8.350 -1.838 10.602 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -7.305 -1.119 11.811 1.00 1.00 H new ATOM 0 HE ARG A 71 -8.673 0.880 10.132 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -8.930 -1.164 13.049 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -10.136 -0.123 13.814 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -10.206 2.195 11.115 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -10.860 1.792 12.706 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.482 1.016 12.167 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.604 1.861 13.343 1.00 1.00 C ATOM 1066 C GLY A 72 -3.227 3.308 13.019 1.00 1.00 C ATOM 1067 O GLY A 72 -3.248 3.714 11.858 1.00 1.00 O ATOM 0 H GLY A 72 -2.523 0.821 11.880 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.627 1.823 13.718 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -2.959 1.482 14.136 1.00 1.00 H new ATOM 1071 N GLU A 73 -2.892 4.048 14.066 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.512 5.441 13.907 1.00 1.00 C ATOM 1073 C GLU A 73 -1.052 5.545 13.462 1.00 1.00 C ATOM 1074 O GLU A 73 -0.140 5.335 14.260 1.00 1.00 O ATOM 1075 CB GLU A 73 -2.748 6.224 15.200 1.00 1.00 C ATOM 1076 CG GLU A 73 -3.753 7.357 14.979 1.00 1.00 C ATOM 1077 CD GLU A 73 -3.282 8.647 15.654 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -2.503 8.593 16.618 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -3.753 9.734 15.143 1.00 1.00 O ATOM 0 H GLU A 73 -2.876 3.709 15.028 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.140 5.883 13.133 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -3.117 5.552 15.974 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -1.804 6.635 15.558 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -3.884 7.528 13.911 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -4.726 7.068 15.377 1.00 1.00 H new ATOM 1087 N LEU A 74 -0.876 5.870 12.190 1.00 1.00 N ATOM 1088 CA LEU A 74 0.457 6.005 11.629 1.00 1.00 C ATOM 1089 C LEU A 74 0.677 7.454 11.188 1.00 1.00 C ATOM 1090 O LEU A 74 -0.258 8.254 11.185 1.00 1.00 O ATOM 1091 CB LEU A 74 0.675 4.983 10.512 1.00 1.00 C ATOM 1092 CG LEU A 74 0.482 3.515 10.899 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.698 2.598 9.693 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.383 3.136 12.076 1.00 1.00 C ATOM 0 H LEU A 74 -1.635 6.044 11.531 1.00 1.00 H new ATOM 0 HA LEU A 74 1.211 5.783 12.384 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -0.008 5.216 9.695 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.687 5.106 10.126 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.549 3.380 11.226 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.555 1.560 9.995 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.018 2.851 8.911 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.711 2.729 9.313 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.227 2.088 12.331 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.426 3.291 11.800 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.139 3.759 12.936 1.00 1.00 H new ATOM 1106 N LYS A 75 1.917 7.748 10.827 1.00 1.00 N ATOM 1107 CA LYS A 75 2.271 9.086 10.386 1.00 1.00 C ATOM 1108 C LYS A 75 1.383 9.480 9.204 1.00 1.00 C ATOM 1109 O LYS A 75 0.778 10.551 9.207 1.00 1.00 O ATOM 1110 CB LYS A 75 3.768 9.173 10.086 1.00 1.00 C ATOM 1111 CG LYS A 75 4.234 10.630 10.036 1.00 1.00 C ATOM 1112 CD LYS A 75 4.896 11.039 11.353 1.00 1.00 C ATOM 1113 CE LYS A 75 5.338 12.503 11.313 1.00 1.00 C ATOM 1114 NZ LYS A 75 6.130 12.839 12.517 1.00 1.00 N ATOM 0 H LYS A 75 2.690 7.082 10.831 1.00 1.00 H new ATOM 0 HA LYS A 75 2.086 9.810 11.180 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.328 8.635 10.851 1.00 1.00 H new ATOM 0 HB3 LYS A 75 3.981 8.687 9.134 1.00 1.00 H new ATOM 0 HG2 LYS A 75 4.938 10.762 9.214 1.00 1.00 H new ATOM 0 HG3 LYS A 75 3.383 11.281 9.835 1.00 1.00 H new ATOM 0 HD2 LYS A 75 4.198 10.888 12.177 1.00 1.00 H new ATOM 0 HD3 LYS A 75 5.758 10.400 11.545 1.00 1.00 H new ATOM 0 HE2 LYS A 75 5.932 12.685 10.417 1.00 1.00 H new ATOM 0 HE3 LYS A 75 4.464 13.151 11.253 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 6.422 13.836 12.473 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 5.552 12.684 13.367 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 6.974 12.233 12.558 1.00 1.00 H new ATOM 1127 N HIS A 76 1.332 8.592 8.221 1.00 1.00 N ATOM 1128 CA HIS A 76 0.529 8.834 7.035 1.00 1.00 C ATOM 1129 C HIS A 76 -0.728 7.962 7.081 1.00 1.00 C ATOM 1130 O HIS A 76 -1.341 7.806 8.135 1.00 1.00 O ATOM 1131 CB HIS A 76 1.355 8.617 5.766 1.00 1.00 C ATOM 1132 CG HIS A 76 2.783 9.094 5.874 1.00 1.00 C ATOM 1133 ND1 HIS A 76 3.120 10.355 6.335 1.00 1.00 N ATOM 1134 CD2 HIS A 76 3.957 8.467 5.576 1.00 1.00 C ATOM 1135 CE1 HIS A 76 4.440 10.470 6.312 1.00 1.00 C ATOM 1136 NE2 HIS A 76 4.957 9.299 5.840 1.00 1.00 N ATOM 0 H HIS A 76 1.834 7.704 8.222 1.00 1.00 H new ATOM 0 HA HIS A 76 0.207 9.875 7.015 1.00 1.00 H new ATOM 0 HB2 HIS A 76 1.355 7.555 5.522 1.00 1.00 H new ATOM 0 HB3 HIS A 76 0.872 9.134 4.937 1.00 1.00 H new ATOM 0 HD2 HIS A 76 4.056 7.463 5.190 1.00 1.00 H new ATOM 0 HE1 HIS A 76 5.007 11.338 6.614 1.00 1.00 H new ATOM 0 HE2 HIS A 76 5.948 9.096 5.711 1.00 1.00 H new ATOM 1144 N THR A 77 -1.074 7.418 5.923 1.00 1.00 N ATOM 1145 CA THR A 77 -2.247 6.567 5.818 1.00 1.00 C ATOM 1146 C THR A 77 -1.881 5.234 5.162 1.00 1.00 C ATOM 1147 O THR A 77 -1.681 5.168 3.950 1.00 1.00 O ATOM 1148 CB THR A 77 -3.327 7.341 5.059 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.325 8.628 5.670 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.733 6.802 5.329 1.00 1.00 C ATOM 0 H THR A 77 -0.563 7.550 5.050 1.00 1.00 H new ATOM 0 HA THR A 77 -2.640 6.313 6.802 1.00 1.00 H new ATOM 0 HB THR A 77 -3.121 7.297 3.989 1.00 1.00 H new ATOM 0 HG1 THR A 77 -3.996 9.196 5.238 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.461 7.386 4.766 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.788 5.758 5.019 1.00 1.00 H new ATOM 0 HG23 THR A 77 -4.953 6.877 6.394 1.00 1.00 H new ATOM 1158 N SER A 78 -1.803 4.204 5.993 1.00 1.00 N ATOM 1159 CA SER A 78 -1.464 2.877 5.509 1.00 1.00 C ATOM 1160 C SER A 78 -2.583 2.345 4.611 1.00 1.00 C ATOM 1161 O SER A 78 -3.678 2.906 4.579 1.00 1.00 O ATOM 1162 CB SER A 78 -1.215 1.914 6.672 1.00 1.00 C ATOM 1163 OG SER A 78 -1.377 2.550 7.936 1.00 1.00 O ATOM 0 H SER A 78 -1.969 4.262 6.998 1.00 1.00 H new ATOM 0 HA SER A 78 -0.544 2.950 4.928 1.00 1.00 H new ATOM 0 HB2 SER A 78 -1.903 1.072 6.599 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.206 1.508 6.597 1.00 1.00 H new ATOM 0 HG SER A 78 -1.857 1.951 8.545 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.270 1.271 3.902 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.235 0.658 3.006 1.00 1.00 C ATOM 1171 C CYS A 79 -4.433 0.191 3.836 1.00 1.00 C ATOM 1172 O CYS A 79 -5.531 0.728 3.704 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.615 -0.488 2.204 1.00 1.00 C ATOM 1174 SG CYS A 79 -0.973 -0.120 1.484 1.00 1.00 S ATOM 0 H CYS A 79 -1.361 0.809 3.930 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.567 1.390 2.270 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.525 -1.359 2.852 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.297 -0.760 1.398 1.00 1.00 H new ATOM 0 HG CYS A 79 -0.543 -1.158 0.830 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.180 -0.805 4.672 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.223 -1.351 5.523 1.00 1.00 C ATOM 1181 C LEU A 80 -5.962 -0.204 6.215 1.00 1.00 C ATOM 1182 O LEU A 80 -7.111 -0.360 6.626 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.639 -2.381 6.493 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.745 -3.845 6.061 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.106 -4.431 6.439 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.450 -3.998 4.567 1.00 1.00 C ATOM 0 H LEU A 80 -3.267 -1.248 4.778 1.00 1.00 H new ATOM 0 HA LEU A 80 -5.958 -1.891 4.926 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.587 -2.145 6.652 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.140 -2.270 7.455 1.00 1.00 H new ATOM 0 HG LEU A 80 -3.988 -4.416 6.599 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.155 -5.472 6.121 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.239 -4.375 7.519 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -6.896 -3.864 5.947 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.532 -5.048 4.286 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.167 -3.411 3.993 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.441 -3.644 4.357 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.273 0.922 6.322 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.850 2.095 6.957 1.00 1.00 C ATOM 1200 C ALA A 81 -7.046 2.579 6.135 1.00 1.00 C ATOM 1201 O ALA A 81 -8.192 2.442 6.559 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.775 3.172 7.113 1.00 1.00 C ATOM 0 H ALA A 81 -4.320 1.047 5.980 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.214 1.851 7.955 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.208 4.052 7.589 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -3.962 2.788 7.730 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.388 3.444 6.131 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.737 3.136 4.973 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.772 3.641 4.087 1.00 1.00 C ATOM 1210 C CYS A 82 -8.832 2.551 3.915 1.00 1.00 C ATOM 1211 O CYS A 82 -9.999 2.750 4.246 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.195 4.092 2.743 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.534 4.732 1.671 1.00 1.00 S ATOM 0 H CYS A 82 -5.785 3.249 4.625 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.231 4.526 4.527 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.444 4.866 2.902 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.694 3.256 2.254 1.00 1.00 H new ATOM 0 HG CYS A 82 -8.034 5.114 0.533 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.386 1.408 3.393 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.249 0.256 3.156 1.00 1.00 C ATOM 1220 C HIS A 83 -10.229 0.089 4.332 1.00 1.00 C ATOM 1221 O HIS A 83 -11.331 -0.427 4.149 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.372 -0.975 2.884 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.818 -1.120 1.485 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.504 -2.305 0.955 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.532 -0.182 0.522 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.041 -2.114 -0.290 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.037 -0.821 -0.608 1.00 1.00 N ATOM 0 H HIS A 83 -7.414 1.257 3.123 1.00 1.00 H new ATOM 0 HA HIS A 83 -9.870 0.398 2.272 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.534 -0.956 3.581 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -8.957 -1.866 3.112 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.600 -3.208 1.420 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.670 0.884 0.627 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.714 -2.906 -0.948 1.00 1.00 H new ATOM 1235 N SER A 84 -9.792 0.533 5.501 1.00 1.00 N ATOM 1236 CA SER A 84 -10.617 0.438 6.693 1.00 1.00 C ATOM 1237 C SER A 84 -11.932 1.190 6.481 1.00 1.00 C ATOM 1238 O SER A 84 -13.002 0.684 6.818 1.00 1.00 O ATOM 1239 CB SER A 84 -9.882 0.987 7.917 1.00 1.00 C ATOM 1240 OG SER A 84 -10.067 2.393 8.064 1.00 1.00 O ATOM 0 H SER A 84 -8.877 0.960 5.648 1.00 1.00 H new ATOM 0 HA SER A 84 -10.834 -0.614 6.876 1.00 1.00 H new ATOM 0 HB2 SER A 84 -10.239 0.479 8.813 1.00 1.00 H new ATOM 0 HB3 SER A 84 -8.818 0.768 7.829 1.00 1.00 H new ATOM 0 HG SER A 84 -9.234 2.858 7.840 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.810 2.386 5.925 1.00 1.00 N ATOM 1247 CA LYS A 85 -12.976 3.213 5.664 1.00 1.00 C ATOM 1248 C LYS A 85 -13.748 2.639 4.475 1.00 1.00 C ATOM 1249 O LYS A 85 -14.977 2.603 4.487 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.565 4.676 5.482 1.00 1.00 C ATOM 1251 CG LYS A 85 -13.771 5.606 5.630 1.00 1.00 C ATOM 1252 CD LYS A 85 -14.089 5.860 7.105 1.00 1.00 C ATOM 1253 CE LYS A 85 -13.122 6.882 7.707 1.00 1.00 C ATOM 1254 NZ LYS A 85 -13.605 8.259 7.462 1.00 1.00 N ATOM 0 H LYS A 85 -10.921 2.803 5.648 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.652 3.199 6.519 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -11.806 4.939 6.219 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -12.115 4.812 4.499 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -13.568 6.553 5.130 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -14.638 5.165 5.138 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -15.113 6.221 7.203 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -14.027 4.924 7.660 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -13.023 6.710 8.779 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -12.131 6.755 7.271 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -12.937 8.940 7.877 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -13.677 8.425 6.438 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -14.541 8.382 7.899 1.00 1.00 H new ATOM 1267 N VAL A 86 -12.994 2.203 3.476 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.592 1.632 2.281 1.00 1.00 C ATOM 1269 C VAL A 86 -14.588 0.543 2.685 1.00 1.00 C ATOM 1270 O VAL A 86 -15.680 0.458 2.126 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.498 1.123 1.340 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.102 0.372 0.152 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.604 2.270 0.867 1.00 1.00 C ATOM 0 H VAL A 86 -11.974 2.234 3.470 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.147 2.392 1.731 1.00 1.00 H new ATOM 0 HB VAL A 86 -11.876 0.422 1.897 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.303 0.021 -0.501 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.676 -0.481 0.514 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -13.759 1.040 -0.405 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -10.835 1.881 0.200 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.207 3.006 0.335 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.132 2.742 1.728 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.175 -0.262 3.652 1.00 1.00 N ATOM 1284 CA VAL A 87 -15.018 -1.342 4.138 1.00 1.00 C ATOM 1285 C VAL A 87 -16.370 -0.773 4.572 1.00 1.00 C ATOM 1286 O VAL A 87 -17.381 -1.471 4.537 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.302 -2.102 5.256 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -15.247 -3.093 5.938 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.053 -2.810 4.726 1.00 1.00 C ATOM 0 H VAL A 87 -13.268 -0.189 4.113 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.210 -2.064 3.344 1.00 1.00 H new ATOM 0 HB VAL A 87 -13.983 -1.376 6.003 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.713 -3.620 6.729 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -16.091 -2.554 6.367 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.611 -3.812 5.204 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.563 -3.342 5.541 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -13.339 -3.519 3.949 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.366 -2.073 4.310 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.343 0.491 4.971 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.554 1.162 5.412 1.00 1.00 C ATOM 1301 C ALA A 88 -18.273 1.756 4.199 1.00 1.00 C ATOM 1302 O ALA A 88 -19.190 2.562 4.349 1.00 1.00 O ATOM 1303 CB ALA A 88 -17.199 2.222 6.457 1.00 1.00 C ATOM 0 H ALA A 88 -15.502 1.067 4.998 1.00 1.00 H new ATOM 0 HA ALA A 88 -18.235 0.454 5.885 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -18.107 2.725 6.788 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.717 1.745 7.310 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.519 2.952 6.018 1.00 1.00 H new ATOM 1437 N ASP A 96 -12.077 -8.662 1.238 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.735 -8.284 -0.123 1.00 1.00 C ATOM 1439 C ASP A 96 -10.601 -7.258 -0.093 1.00 1.00 C ATOM 1440 O ASP A 96 -9.598 -7.415 -0.789 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.930 -7.647 -0.835 1.00 1.00 C ATOM 1442 CG ASP A 96 -14.018 -8.628 -1.276 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -14.177 -9.711 -0.692 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -14.730 -8.238 -2.279 1.00 1.00 O ATOM 0 HA ASP A 96 -11.435 -9.185 -0.658 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.377 -6.907 -0.171 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.568 -7.111 -1.712 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.797 -6.230 0.720 1.00 1.00 N ATOM 1451 CA LEU A 97 -9.803 -5.178 0.849 1.00 1.00 C ATOM 1452 C LEU A 97 -9.094 -5.315 2.198 1.00 1.00 C ATOM 1453 O LEU A 97 -8.096 -4.643 2.450 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.442 -3.806 0.627 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.141 -3.602 -0.719 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -11.299 -2.113 -1.034 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -10.408 -4.349 -1.836 1.00 1.00 C ATOM 0 H LEU A 97 -11.629 -6.103 1.296 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.041 -5.278 0.076 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.168 -3.633 1.421 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -9.668 -3.046 0.731 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.143 -4.026 -0.652 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -11.798 -1.996 -1.996 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -11.895 -1.638 -0.255 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -10.316 -1.644 -1.076 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -10.925 -4.188 -2.782 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -9.386 -3.977 -1.913 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.390 -5.415 -1.610 1.00 1.00 H new ATOM 1469 N THR A 98 -9.639 -6.191 3.030 1.00 1.00 N ATOM 1470 CA THR A 98 -9.072 -6.425 4.347 1.00 1.00 C ATOM 1471 C THR A 98 -9.079 -7.920 4.674 1.00 1.00 C ATOM 1472 O THR A 98 -9.327 -8.309 5.813 1.00 1.00 O ATOM 1473 CB THR A 98 -9.852 -5.579 5.356 1.00 1.00 C ATOM 1474 OG1 THR A 98 -11.055 -6.314 5.567 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.326 -4.251 4.763 1.00 1.00 C ATOM 0 H THR A 98 -10.467 -6.747 2.817 1.00 1.00 H new ATOM 0 HA THR A 98 -8.026 -6.121 4.386 1.00 1.00 H new ATOM 0 HB THR A 98 -9.227 -5.385 6.228 1.00 1.00 H new ATOM 0 HG1 THR A 98 -10.857 -7.125 6.081 1.00 1.00 H new ATOM 0 HG21 THR A 98 -10.874 -3.689 5.520 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.464 -3.671 4.434 1.00 1.00 H new ATOM 0 HG23 THR A 98 -10.979 -4.445 3.912 1.00 1.00 H new ATOM 1483 N GLY A 99 -8.803 -8.717 3.652 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.774 -10.160 3.815 1.00 1.00 C ATOM 1485 C GLY A 99 -7.336 -10.680 3.851 1.00 1.00 C ATOM 1486 O GLY A 99 -6.542 -10.381 2.960 1.00 1.00 O ATOM 0 H GLY A 99 -8.597 -8.390 2.708 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -9.287 -10.436 4.736 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -9.315 -10.633 2.995 1.00 1.00 H new ATOM 1490 N CYS A 100 -7.043 -11.449 4.889 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.714 -12.013 5.052 1.00 1.00 C ATOM 1492 C CYS A 100 -5.505 -13.072 3.968 1.00 1.00 C ATOM 1493 O CYS A 100 -4.379 -13.305 3.531 1.00 1.00 O ATOM 1494 CB CYS A 100 -5.511 -12.586 6.456 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.649 -11.364 7.811 1.00 1.00 S ATOM 0 H CYS A 100 -7.704 -11.695 5.626 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.967 -11.227 4.940 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -6.245 -13.375 6.621 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -4.527 -13.052 6.504 1.00 1.00 H new ATOM 0 HG CYS A 100 -5.462 -11.958 8.952 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.608 -13.685 3.563 1.00 1.00 N ATOM 1501 CA ALA A 101 -6.560 -14.714 2.539 1.00 1.00 C ATOM 1502 C ALA A 101 -7.804 -14.604 1.653 1.00 1.00 C ATOM 1503 O ALA A 101 -8.713 -13.830 1.948 1.00 1.00 O ATOM 1504 CB ALA A 101 -6.435 -16.088 3.200 1.00 1.00 C ATOM 0 H ALA A 101 -7.541 -13.488 3.926 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.687 -14.579 1.901 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.399 -16.860 2.431 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -5.522 -16.124 3.794 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -7.295 -16.260 3.847 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.803 -15.390 0.587 1.00 1.00 N ATOM 1511 CA LYS A 102 -8.919 -15.391 -0.343 1.00 1.00 C ATOM 1512 C LYS A 102 -9.381 -13.952 -0.580 1.00 1.00 C ATOM 1513 O LYS A 102 -10.576 -13.696 -0.726 1.00 1.00 O ATOM 1514 CB LYS A 102 -10.029 -16.320 0.154 1.00 1.00 C ATOM 1515 CG LYS A 102 -10.667 -15.776 1.434 1.00 1.00 C ATOM 1516 CD LYS A 102 -11.768 -16.711 1.937 1.00 1.00 C ATOM 1517 CE LYS A 102 -12.854 -15.930 2.680 1.00 1.00 C ATOM 1518 NZ LYS A 102 -13.771 -16.855 3.381 1.00 1.00 N ATOM 0 H LYS A 102 -7.047 -16.031 0.346 1.00 1.00 H new ATOM 0 HA LYS A 102 -8.610 -15.790 -1.309 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -10.790 -16.428 -0.618 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -9.621 -17.313 0.341 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -9.904 -15.659 2.204 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -11.083 -14.786 1.245 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -12.210 -17.244 1.095 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -11.338 -17.462 2.599 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -12.395 -15.251 3.398 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -13.416 -15.317 1.975 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -14.501 -16.308 3.880 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -14.223 -17.486 2.689 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -13.234 -17.422 4.068 1.00 1.00 H new ATOM 1531 N SER A 103 -8.411 -13.050 -0.610 1.00 1.00 N ATOM 1532 CA SER A 103 -8.704 -11.643 -0.827 1.00 1.00 C ATOM 1533 C SER A 103 -8.111 -11.185 -2.161 1.00 1.00 C ATOM 1534 O SER A 103 -7.646 -12.004 -2.952 1.00 1.00 O ATOM 1535 CB SER A 103 -8.161 -10.785 0.318 1.00 1.00 C ATOM 1536 OG SER A 103 -6.739 -10.704 0.296 1.00 1.00 O ATOM 0 H SER A 103 -7.422 -13.266 -0.488 1.00 1.00 H new ATOM 0 HA SER A 103 -9.787 -11.519 -0.856 1.00 1.00 H new ATOM 0 HB2 SER A 103 -8.582 -9.782 0.251 1.00 1.00 H new ATOM 0 HB3 SER A 103 -8.486 -11.204 1.270 1.00 1.00 H new ATOM 0 HG SER A 103 -6.404 -10.593 1.210 1.00 1.00 H new ATOM 1542 N LYS A 104 -8.146 -9.877 -2.369 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.619 -9.300 -3.594 1.00 1.00 C ATOM 1544 C LYS A 104 -6.137 -8.972 -3.400 1.00 1.00 C ATOM 1545 O LYS A 104 -5.510 -8.377 -4.275 1.00 1.00 O ATOM 1546 CB LYS A 104 -8.463 -8.100 -4.028 1.00 1.00 C ATOM 1547 CG LYS A 104 -9.944 -8.332 -3.722 1.00 1.00 C ATOM 1548 CD LYS A 104 -10.816 -7.970 -4.926 1.00 1.00 C ATOM 1549 CE LYS A 104 -12.216 -8.572 -4.790 1.00 1.00 C ATOM 1550 NZ LYS A 104 -12.812 -8.805 -6.124 1.00 1.00 N ATOM 0 H LYS A 104 -8.531 -9.200 -1.710 1.00 1.00 H new ATOM 0 HA LYS A 104 -7.684 -10.017 -4.412 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -8.118 -7.203 -3.514 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -8.332 -7.926 -5.096 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -10.104 -9.376 -3.453 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -10.239 -7.732 -2.861 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -10.889 -6.886 -5.014 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -10.348 -8.333 -5.841 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -12.162 -9.512 -4.240 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -12.852 -7.901 -4.213 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -13.762 -9.214 -6.013 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -12.881 -7.902 -6.636 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -12.213 -9.463 -6.662 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.620 -9.373 -2.248 1.00 1.00 N ATOM 1564 CA CYS A 105 -4.224 -9.129 -1.928 1.00 1.00 C ATOM 1565 C CYS A 105 -3.532 -10.480 -1.735 1.00 1.00 C ATOM 1566 O CYS A 105 -2.515 -10.762 -2.365 1.00 1.00 O ATOM 1567 CB CYS A 105 -4.074 -8.230 -0.699 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.610 -6.537 -1.215 1.00 1.00 S ATOM 0 H CYS A 105 -6.143 -9.866 -1.524 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.749 -8.592 -2.749 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -5.009 -8.205 -0.140 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.314 -8.637 -0.031 1.00 1.00 H new ATOM 0 HG CYS A 105 -3.487 -5.781 -0.164 1.00 1.00 H new ATOM 1573 N HIS A 106 -4.115 -11.290 -0.852 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.600 -12.618 -0.535 1.00 1.00 C ATOM 1575 C HIS A 106 -4.587 -13.691 -1.031 1.00 1.00 C ATOM 1576 O HIS A 106 -5.189 -14.425 -0.252 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.295 -12.687 0.968 1.00 1.00 C ATOM 1578 CG HIS A 106 -2.221 -11.759 1.487 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.966 -11.784 1.029 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.259 -10.774 2.445 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.250 -10.851 1.676 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -1.000 -10.198 2.562 1.00 1.00 N ATOM 0 H HIS A 106 -4.959 -11.042 -0.336 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.662 -12.817 -1.054 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -4.216 -12.479 1.512 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -3.007 -13.710 1.210 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -3.131 -10.492 3.017 1.00 1.00 H new ATOM 0 HE1 HIS A 106 0.798 -10.655 1.501 1.00 1.00 H new ATOM 0 HE2 HIS A 106 -0.714 -9.444 3.187 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.735 -13.762 -2.356 1.00 1.00 N ATOM 1591 CA PRO A 107 -5.608 -14.698 -3.031 1.00 1.00 C ATOM 1592 C PRO A 107 -5.097 -16.116 -2.818 1.00 1.00 C ATOM 1593 O PRO A 107 -3.935 -16.407 -3.090 1.00 1.00 O ATOM 1594 CB PRO A 107 -5.538 -14.307 -4.505 1.00 1.00 C ATOM 1595 CG PRO A 107 -4.190 -13.620 -4.647 1.00 1.00 C ATOM 1596 CD PRO A 107 -4.043 -12.913 -3.302 1.00 1.00 C ATOM 0 HA PRO A 107 -6.632 -14.668 -2.658 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -5.609 -15.181 -5.152 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -6.355 -13.640 -4.779 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -3.386 -14.335 -4.821 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -4.177 -12.917 -5.480 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.994 -12.793 -3.031 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -4.481 -11.915 -3.331 1.00 1.00 H new