USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 532 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 NoAdj-H: A 33 HIS HD1 : A 33 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= -0.731 USER MOD Set 2.1: A 27 SER OG : rot -122:sc= -0.986 USER MOD Set 2.2: A 51 HIS : no HE2:sc= -2.27! C(o=-3.3!,f=-8.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 37:sc= 0.29 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00487 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= -0.355 (180deg=-1.34) USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= 0.109 (180deg=-0.0474) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -139:sc= -1.24 (180deg=-4.13!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -130:sc= 0.459 (180deg=-0.21) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HE2:sc= 0.0506 K(o=0.051,f=-3.9!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 76:sc= 0.22 USER MOD Single : A 71 SER OG : rot 10:sc= 0.357 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.274 -13.928 -24.243 1.00 0.00 N ATOM 2 CA GLY A 1 -27.785 -13.976 -22.886 1.00 0.00 C ATOM 3 C GLY A 1 -26.695 -13.788 -21.849 1.00 0.00 C ATOM 4 O GLY A 1 -25.949 -14.719 -21.546 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.057 -14.061 -24.914 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.826 -13.005 -24.413 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.572 -14.683 -24.376 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.541 -13.202 -22.758 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.278 -14.934 -22.720 1.00 0.00 H new ATOM 8 N SER A 2 -26.601 -12.579 -21.304 1.00 0.00 N ATOM 9 CA SER A 2 -25.590 -12.270 -20.300 1.00 0.00 C ATOM 10 C SER A 2 -26.232 -12.051 -18.933 1.00 0.00 C ATOM 11 O SER A 2 -27.409 -11.702 -18.836 1.00 0.00 O ATOM 12 CB SER A 2 -24.798 -11.027 -20.709 1.00 0.00 C ATOM 13 OG SER A 2 -23.890 -11.323 -21.756 1.00 0.00 O ATOM 0 H SER A 2 -27.213 -11.798 -21.541 1.00 0.00 H new ATOM 0 HA SER A 2 -24.910 -13.119 -20.231 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.485 -10.243 -21.029 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.252 -10.640 -19.848 1.00 0.00 H new ATOM 0 HG SER A 2 -23.397 -10.512 -22.001 1.00 0.00 H new ATOM 19 N SER A 3 -25.450 -12.258 -17.879 1.00 0.00 N ATOM 20 CA SER A 3 -25.942 -12.088 -16.517 1.00 0.00 C ATOM 21 C SER A 3 -26.296 -10.629 -16.246 1.00 0.00 C ATOM 22 O SER A 3 -27.379 -10.323 -15.749 1.00 0.00 O ATOM 23 CB SER A 3 -24.894 -12.566 -15.510 1.00 0.00 C ATOM 24 OG SER A 3 -24.475 -13.888 -15.799 1.00 0.00 O ATOM 0 H SER A 3 -24.473 -12.544 -17.942 1.00 0.00 H new ATOM 0 HA SER A 3 -26.844 -12.690 -16.405 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.034 -11.896 -15.530 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.308 -12.524 -14.502 1.00 0.00 H new ATOM 0 HG SER A 3 -23.804 -14.169 -15.142 1.00 0.00 H new ATOM 30 N GLY A 4 -25.372 -9.731 -16.576 1.00 0.00 N ATOM 31 CA GLY A 4 -25.604 -8.315 -16.362 1.00 0.00 C ATOM 32 C GLY A 4 -24.896 -7.792 -15.127 1.00 0.00 C ATOM 33 O GLY A 4 -25.501 -7.667 -14.063 1.00 0.00 O ATOM 0 H GLY A 4 -24.467 -9.960 -16.988 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.264 -7.758 -17.235 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.675 -8.136 -16.267 1.00 0.00 H new ATOM 37 N SER A 5 -23.610 -7.486 -15.270 1.00 0.00 N ATOM 38 CA SER A 5 -22.817 -6.979 -14.156 1.00 0.00 C ATOM 39 C SER A 5 -22.449 -5.515 -14.374 1.00 0.00 C ATOM 40 O SER A 5 -21.772 -5.171 -15.343 1.00 0.00 O ATOM 41 CB SER A 5 -21.548 -7.816 -13.983 1.00 0.00 C ATOM 42 OG SER A 5 -20.827 -7.905 -15.199 1.00 0.00 O ATOM 0 H SER A 5 -23.096 -7.580 -16.146 1.00 0.00 H new ATOM 0 HA SER A 5 -23.418 -7.053 -13.250 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.917 -7.371 -13.214 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.812 -8.816 -13.639 1.00 0.00 H new ATOM 0 HG SER A 5 -20.894 -7.055 -15.682 1.00 0.00 H new ATOM 48 N SER A 6 -22.900 -4.656 -13.465 1.00 0.00 N ATOM 49 CA SER A 6 -22.621 -3.228 -13.558 1.00 0.00 C ATOM 50 C SER A 6 -22.018 -2.705 -12.258 1.00 0.00 C ATOM 51 O SER A 6 -22.265 -3.251 -11.183 1.00 0.00 O ATOM 52 CB SER A 6 -23.902 -2.457 -13.885 1.00 0.00 C ATOM 53 OG SER A 6 -23.681 -1.058 -13.844 1.00 0.00 O ATOM 0 H SER A 6 -23.460 -4.924 -12.656 1.00 0.00 H new ATOM 0 HA SER A 6 -21.898 -3.076 -14.360 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.259 -2.743 -14.874 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.683 -2.726 -13.174 1.00 0.00 H new ATOM 0 HG SER A 6 -24.514 -0.589 -14.058 1.00 0.00 H new ATOM 59 N GLY A 7 -21.225 -1.644 -12.365 1.00 0.00 N ATOM 60 CA GLY A 7 -20.598 -1.064 -11.192 1.00 0.00 C ATOM 61 C GLY A 7 -19.698 0.107 -11.533 1.00 0.00 C ATOM 62 O GLY A 7 -19.034 0.106 -12.569 1.00 0.00 O ATOM 0 H GLY A 7 -21.005 -1.175 -13.244 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.370 -0.734 -10.497 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.015 -1.829 -10.680 1.00 0.00 H new ATOM 66 N MET A 8 -19.677 1.109 -10.661 1.00 0.00 N ATOM 67 CA MET A 8 -18.853 2.292 -10.876 1.00 0.00 C ATOM 68 C MET A 8 -17.951 2.552 -9.674 1.00 0.00 C ATOM 69 O MET A 8 -18.382 3.128 -8.676 1.00 0.00 O ATOM 70 CB MET A 8 -19.735 3.514 -11.141 1.00 0.00 C ATOM 71 CG MET A 8 -20.457 3.464 -12.478 1.00 0.00 C ATOM 72 SD MET A 8 -22.034 4.338 -12.449 1.00 0.00 S ATOM 73 CE MET A 8 -23.138 3.026 -11.931 1.00 0.00 C ATOM 0 H MET A 8 -20.221 1.125 -9.799 1.00 0.00 H new ATOM 0 HA MET A 8 -18.224 2.112 -11.748 1.00 0.00 H new ATOM 0 HB2 MET A 8 -20.472 3.600 -10.342 1.00 0.00 H new ATOM 0 HB3 MET A 8 -19.118 4.412 -11.104 1.00 0.00 H new ATOM 0 HG2 MET A 8 -19.819 3.899 -13.247 1.00 0.00 H new ATOM 0 HG3 MET A 8 -20.628 2.424 -12.756 1.00 0.00 H new ATOM 0 HE1 MET A 8 -24.156 3.411 -11.866 1.00 0.00 H new ATOM 0 HE2 MET A 8 -23.103 2.213 -12.657 1.00 0.00 H new ATOM 0 HE3 MET A 8 -22.828 2.654 -10.955 1.00 0.00 H new ATOM 83 N ALA A 9 -16.697 2.124 -9.777 1.00 0.00 N ATOM 84 CA ALA A 9 -15.734 2.313 -8.698 1.00 0.00 C ATOM 85 C ALA A 9 -14.306 2.118 -9.197 1.00 0.00 C ATOM 86 O ALA A 9 -14.049 1.276 -10.057 1.00 0.00 O ATOM 87 CB ALA A 9 -16.031 1.357 -7.553 1.00 0.00 C ATOM 0 H ALA A 9 -16.324 1.644 -10.596 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.827 3.337 -8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.305 1.509 -6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.034 1.547 -7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.967 0.329 -7.911 1.00 0.00 H new ATOM 93 N SER A 10 -13.382 2.902 -8.651 1.00 0.00 N ATOM 94 CA SER A 10 -11.980 2.818 -9.044 1.00 0.00 C ATOM 95 C SER A 10 -11.554 1.365 -9.230 1.00 0.00 C ATOM 96 O SER A 10 -11.916 0.492 -8.440 1.00 0.00 O ATOM 97 CB SER A 10 -11.093 3.490 -7.994 1.00 0.00 C ATOM 98 OG SER A 10 -11.277 4.895 -7.995 1.00 0.00 O ATOM 0 H SER A 10 -13.579 3.602 -7.936 1.00 0.00 H new ATOM 0 HA SER A 10 -11.863 3.338 -9.995 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.326 3.090 -7.007 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.047 3.257 -8.194 1.00 0.00 H new ATOM 0 HG SER A 10 -10.701 5.301 -7.314 1.00 0.00 H new ATOM 104 N LYS A 11 -10.783 1.111 -10.282 1.00 0.00 N ATOM 105 CA LYS A 11 -10.305 -0.235 -10.575 1.00 0.00 C ATOM 106 C LYS A 11 -8.939 -0.478 -9.940 1.00 0.00 C ATOM 107 O LYS A 11 -8.365 0.416 -9.317 1.00 0.00 O ATOM 108 CB LYS A 11 -10.222 -0.452 -12.087 1.00 0.00 C ATOM 109 CG LYS A 11 -11.521 -0.941 -12.704 1.00 0.00 C ATOM 110 CD LYS A 11 -12.407 0.218 -13.128 1.00 0.00 C ATOM 111 CE LYS A 11 -12.072 0.691 -14.534 1.00 0.00 C ATOM 112 NZ LYS A 11 -10.956 1.678 -14.536 1.00 0.00 N ATOM 0 H LYS A 11 -10.475 1.821 -10.947 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.015 -0.945 -10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.933 0.484 -12.565 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.434 -1.175 -12.299 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.301 -1.567 -13.568 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.054 -1.564 -11.986 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.452 -0.087 -13.085 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.287 1.044 -12.427 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.800 -0.166 -15.150 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.956 1.141 -14.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.064 2.322 -15.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.976 2.226 -13.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.048 1.176 -14.611 1.00 0.00 H new ATOM 126 N CYS A 12 -8.423 -1.691 -10.102 1.00 0.00 N ATOM 127 CA CYS A 12 -7.125 -2.052 -9.546 1.00 0.00 C ATOM 128 C CYS A 12 -6.042 -2.005 -10.620 1.00 0.00 C ATOM 129 O CYS A 12 -6.150 -2.632 -11.674 1.00 0.00 O ATOM 130 CB CYS A 12 -7.183 -3.449 -8.925 1.00 0.00 C ATOM 131 SG CYS A 12 -5.611 -3.999 -8.186 1.00 0.00 S ATOM 0 H CYS A 12 -8.885 -2.442 -10.615 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.875 -1.328 -8.771 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.957 -3.462 -8.158 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.482 -4.164 -9.692 1.00 0.00 H new ATOM 136 N PRO A 13 -4.971 -1.245 -10.348 1.00 0.00 N ATOM 137 CA PRO A 13 -3.846 -1.099 -11.277 1.00 0.00 C ATOM 138 C PRO A 13 -3.028 -2.379 -11.403 1.00 0.00 C ATOM 139 O PRO A 13 -2.012 -2.413 -12.097 1.00 0.00 O ATOM 140 CB PRO A 13 -3.006 0.014 -10.645 1.00 0.00 C ATOM 141 CG PRO A 13 -3.336 -0.041 -9.193 1.00 0.00 C ATOM 142 CD PRO A 13 -4.775 -0.470 -9.111 1.00 0.00 C ATOM 0 HA PRO A 13 -4.180 -0.876 -12.290 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.942 -0.148 -10.816 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.253 0.987 -11.071 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.688 -0.746 -8.672 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.191 0.932 -8.723 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.964 -1.074 -8.224 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.448 0.386 -9.063 1.00 0.00 H new ATOM 150 N LYS A 14 -3.476 -3.431 -10.727 1.00 0.00 N ATOM 151 CA LYS A 14 -2.787 -4.715 -10.763 1.00 0.00 C ATOM 152 C LYS A 14 -3.532 -5.707 -11.651 1.00 0.00 C ATOM 153 O LYS A 14 -2.931 -6.374 -12.494 1.00 0.00 O ATOM 154 CB LYS A 14 -2.648 -5.284 -9.349 1.00 0.00 C ATOM 155 CG LYS A 14 -1.651 -6.425 -9.248 1.00 0.00 C ATOM 156 CD LYS A 14 -0.239 -5.913 -9.018 1.00 0.00 C ATOM 157 CE LYS A 14 0.744 -7.057 -8.823 1.00 0.00 C ATOM 158 NZ LYS A 14 0.561 -7.727 -7.506 1.00 0.00 N ATOM 0 H LYS A 14 -4.315 -3.419 -10.147 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.794 -4.554 -11.181 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.343 -4.485 -8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.623 -5.633 -9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.936 -7.087 -8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.680 -7.017 -10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.072 -5.306 -9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.224 -5.266 -8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.615 -7.787 -9.623 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.763 -6.677 -8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.479 -8.078 -7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.174 -7.047 -6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.098 -8.525 -7.611 1.00 0.00 H new ATOM 172 N CYS A 15 -4.843 -5.799 -11.457 1.00 0.00 N ATOM 173 CA CYS A 15 -5.671 -6.709 -12.240 1.00 0.00 C ATOM 174 C CYS A 15 -6.823 -5.961 -12.903 1.00 0.00 C ATOM 175 O CYS A 15 -7.844 -6.555 -13.252 1.00 0.00 O ATOM 176 CB CYS A 15 -6.218 -7.827 -11.351 1.00 0.00 C ATOM 177 SG CYS A 15 -7.187 -7.236 -9.925 1.00 0.00 S ATOM 0 H CYS A 15 -5.356 -5.254 -10.764 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.049 -7.147 -13.020 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.844 -8.484 -11.955 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.385 -8.428 -10.987 1.00 0.00 H new ATOM 182 N ASP A 16 -6.653 -4.654 -13.075 1.00 0.00 N ATOM 183 CA ASP A 16 -7.677 -3.825 -13.697 1.00 0.00 C ATOM 184 C ASP A 16 -9.073 -4.330 -13.347 1.00 0.00 C ATOM 185 O ASP A 16 -9.894 -4.583 -14.230 1.00 0.00 O ATOM 186 CB ASP A 16 -7.495 -3.805 -15.216 1.00 0.00 C ATOM 187 CG ASP A 16 -8.012 -2.526 -15.844 1.00 0.00 C ATOM 188 OD1 ASP A 16 -7.986 -1.479 -15.165 1.00 0.00 O ATOM 189 OD2 ASP A 16 -8.443 -2.572 -17.016 1.00 0.00 O ATOM 0 H ASP A 16 -5.815 -4.147 -12.792 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.570 -2.811 -13.312 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.438 -3.922 -15.454 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.016 -4.657 -15.653 1.00 0.00 H new ATOM 194 N LYS A 17 -9.336 -4.478 -12.053 1.00 0.00 N ATOM 195 CA LYS A 17 -10.632 -4.954 -11.584 1.00 0.00 C ATOM 196 C LYS A 17 -11.303 -3.914 -10.692 1.00 0.00 C ATOM 197 O LYS A 17 -10.633 -3.097 -10.060 1.00 0.00 O ATOM 198 CB LYS A 17 -10.470 -6.269 -10.820 1.00 0.00 C ATOM 199 CG LYS A 17 -10.422 -7.493 -11.718 1.00 0.00 C ATOM 200 CD LYS A 17 -10.759 -8.761 -10.952 1.00 0.00 C ATOM 201 CE LYS A 17 -12.261 -8.996 -10.897 1.00 0.00 C ATOM 202 NZ LYS A 17 -12.590 -10.418 -10.602 1.00 0.00 N ATOM 0 H LYS A 17 -8.668 -4.275 -11.310 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.266 -5.123 -12.455 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.555 -6.226 -10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.297 -6.376 -10.118 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.124 -7.368 -12.543 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.428 -7.585 -12.156 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.273 -9.614 -11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.363 -8.691 -9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.701 -8.355 -10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.708 -8.710 -11.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.623 -10.537 -10.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.192 -11.028 -11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.185 -10.684 -9.682 1.00 0.00 H new ATOM 216 N THR A 18 -12.631 -3.951 -10.643 1.00 0.00 N ATOM 217 CA THR A 18 -13.393 -3.013 -9.828 1.00 0.00 C ATOM 218 C THR A 18 -13.187 -3.283 -8.342 1.00 0.00 C ATOM 219 O THR A 18 -13.825 -4.165 -7.767 1.00 0.00 O ATOM 220 CB THR A 18 -14.898 -3.085 -10.148 1.00 0.00 C ATOM 221 OG1 THR A 18 -15.097 -3.118 -11.565 1.00 0.00 O ATOM 222 CG2 THR A 18 -15.634 -1.892 -9.555 1.00 0.00 C ATOM 0 H THR A 18 -13.201 -4.621 -11.159 1.00 0.00 H new ATOM 0 HA THR A 18 -13.026 -2.015 -10.067 1.00 0.00 H new ATOM 0 HB THR A 18 -15.298 -3.997 -9.705 1.00 0.00 H new ATOM 0 HG1 THR A 18 -16.056 -3.165 -11.760 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.695 -1.964 -9.794 1.00 0.00 H new ATOM 0 HG22 THR A 18 -15.505 -1.886 -8.473 1.00 0.00 H new ATOM 0 HG23 THR A 18 -15.230 -0.970 -9.974 1.00 0.00 H new ATOM 230 N VAL A 19 -12.292 -2.518 -7.725 1.00 0.00 N ATOM 231 CA VAL A 19 -12.003 -2.674 -6.304 1.00 0.00 C ATOM 232 C VAL A 19 -13.227 -2.347 -5.456 1.00 0.00 C ATOM 233 O VAL A 19 -13.828 -1.282 -5.598 1.00 0.00 O ATOM 234 CB VAL A 19 -10.833 -1.772 -5.867 1.00 0.00 C ATOM 235 CG1 VAL A 19 -10.680 -1.792 -4.354 1.00 0.00 C ATOM 236 CG2 VAL A 19 -9.544 -2.206 -6.548 1.00 0.00 C ATOM 0 H VAL A 19 -11.755 -1.784 -8.187 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.725 -3.717 -6.149 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.051 -0.749 -6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.849 -1.149 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.598 -1.430 -3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.484 -2.811 -4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.728 -1.558 -6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.318 -3.237 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.662 -2.134 -7.629 1.00 0.00 H new ATOM 246 N TYR A 20 -13.590 -3.270 -4.572 1.00 0.00 N ATOM 247 CA TYR A 20 -14.744 -3.081 -3.701 1.00 0.00 C ATOM 248 C TYR A 20 -14.309 -2.921 -2.247 1.00 0.00 C ATOM 249 O TYR A 20 -13.223 -3.354 -1.861 1.00 0.00 O ATOM 250 CB TYR A 20 -15.706 -4.263 -3.830 1.00 0.00 C ATOM 251 CG TYR A 20 -15.749 -4.860 -5.219 1.00 0.00 C ATOM 252 CD1 TYR A 20 -16.301 -4.155 -6.282 1.00 0.00 C ATOM 253 CD2 TYR A 20 -15.240 -6.128 -5.467 1.00 0.00 C ATOM 254 CE1 TYR A 20 -16.343 -4.697 -7.552 1.00 0.00 C ATOM 255 CE2 TYR A 20 -15.276 -6.677 -6.735 1.00 0.00 C ATOM 256 CZ TYR A 20 -15.829 -5.957 -7.774 1.00 0.00 C ATOM 257 OH TYR A 20 -15.869 -6.501 -9.037 1.00 0.00 O ATOM 0 H TYR A 20 -13.102 -4.156 -4.440 1.00 0.00 H new ATOM 0 HA TYR A 20 -15.255 -2.170 -4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -15.415 -5.037 -3.120 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -16.708 -3.937 -3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -16.704 -3.167 -6.112 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -14.809 -6.695 -4.655 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -16.776 -4.136 -8.367 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.874 -7.664 -6.911 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.465 -7.394 -9.022 1.00 0.00 H new ATOM 267 N PHE A 21 -15.165 -2.296 -1.446 1.00 0.00 N ATOM 268 CA PHE A 21 -14.871 -2.078 -0.034 1.00 0.00 C ATOM 269 C PHE A 21 -14.281 -3.335 0.599 1.00 0.00 C ATOM 270 O PHE A 21 -13.362 -3.259 1.414 1.00 0.00 O ATOM 271 CB PHE A 21 -16.139 -1.663 0.715 1.00 0.00 C ATOM 272 CG PHE A 21 -15.994 -1.707 2.209 1.00 0.00 C ATOM 273 CD1 PHE A 21 -15.452 -0.634 2.898 1.00 0.00 C ATOM 274 CD2 PHE A 21 -16.400 -2.822 2.925 1.00 0.00 C ATOM 275 CE1 PHE A 21 -15.317 -0.672 4.273 1.00 0.00 C ATOM 276 CE2 PHE A 21 -16.268 -2.866 4.300 1.00 0.00 C ATOM 277 CZ PHE A 21 -15.726 -1.789 4.975 1.00 0.00 C ATOM 0 H PHE A 21 -16.068 -1.931 -1.750 1.00 0.00 H new ATOM 0 HA PHE A 21 -14.136 -1.276 0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -16.415 -0.652 0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -16.958 -2.318 0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -15.131 0.242 2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -16.825 -3.666 2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.892 0.171 4.798 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -16.588 -3.741 4.846 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.622 -1.821 6.050 1.00 0.00 H new ATOM 287 N ALA A 22 -14.817 -4.489 0.218 1.00 0.00 N ATOM 288 CA ALA A 22 -14.343 -5.763 0.746 1.00 0.00 C ATOM 289 C ALA A 22 -12.822 -5.782 0.852 1.00 0.00 C ATOM 290 O ALA A 22 -12.269 -6.085 1.909 1.00 0.00 O ATOM 291 CB ALA A 22 -14.827 -6.910 -0.128 1.00 0.00 C ATOM 0 H ALA A 22 -15.580 -4.569 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.753 -5.887 1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.466 -7.855 0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.917 -6.917 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.446 -6.781 -1.141 1.00 0.00 H new ATOM 297 N GLU A 23 -12.152 -5.456 -0.249 1.00 0.00 N ATOM 298 CA GLU A 23 -10.695 -5.438 -0.278 1.00 0.00 C ATOM 299 C GLU A 23 -10.176 -4.063 -0.691 1.00 0.00 C ATOM 300 O GLU A 23 -9.020 -3.916 -1.087 1.00 0.00 O ATOM 301 CB GLU A 23 -10.169 -6.503 -1.242 1.00 0.00 C ATOM 302 CG GLU A 23 -10.404 -7.926 -0.764 1.00 0.00 C ATOM 303 CD GLU A 23 -9.576 -8.943 -1.526 1.00 0.00 C ATOM 304 OE1 GLU A 23 -9.479 -8.821 -2.765 1.00 0.00 O ATOM 305 OE2 GLU A 23 -9.025 -9.860 -0.882 1.00 0.00 O ATOM 0 H GLU A 23 -12.595 -5.201 -1.132 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.335 -5.657 0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.648 -6.371 -2.212 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.100 -6.350 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.167 -7.992 0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.461 -8.171 -0.870 1.00 0.00 H new ATOM 312 N LYS A 24 -11.040 -3.058 -0.594 1.00 0.00 N ATOM 313 CA LYS A 24 -10.672 -1.694 -0.956 1.00 0.00 C ATOM 314 C LYS A 24 -9.608 -1.149 -0.008 1.00 0.00 C ATOM 315 O LYS A 24 -9.922 -0.656 1.075 1.00 0.00 O ATOM 316 CB LYS A 24 -11.905 -0.788 -0.932 1.00 0.00 C ATOM 317 CG LYS A 24 -11.649 0.601 -1.490 1.00 0.00 C ATOM 318 CD LYS A 24 -12.914 1.212 -2.068 1.00 0.00 C ATOM 319 CE LYS A 24 -13.884 1.626 -0.973 1.00 0.00 C ATOM 320 NZ LYS A 24 -14.984 2.480 -1.500 1.00 0.00 N ATOM 0 H LYS A 24 -12.001 -3.163 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.261 -1.710 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.703 -1.259 -1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.260 -0.698 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.261 1.245 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.883 0.548 -2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.656 2.080 -2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.397 0.493 -2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.307 0.736 -0.507 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.345 2.167 -0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.624 2.741 -0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.583 3.342 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.515 1.955 -2.224 1.00 0.00 H new ATOM 334 N VAL A 25 -8.349 -1.240 -0.424 1.00 0.00 N ATOM 335 CA VAL A 25 -7.239 -0.753 0.386 1.00 0.00 C ATOM 336 C VAL A 25 -6.550 0.432 -0.281 1.00 0.00 C ATOM 337 O VAL A 25 -5.989 0.305 -1.369 1.00 0.00 O ATOM 338 CB VAL A 25 -6.200 -1.861 0.639 1.00 0.00 C ATOM 339 CG1 VAL A 25 -5.478 -2.221 -0.651 1.00 0.00 C ATOM 340 CG2 VAL A 25 -5.210 -1.429 1.710 1.00 0.00 C ATOM 0 H VAL A 25 -8.072 -1.647 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.659 -0.435 1.340 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.722 -2.749 0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.748 -3.005 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.201 -2.576 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.967 -1.340 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.483 -2.224 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.693 -0.527 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.744 -1.226 2.638 1.00 0.00 H new ATOM 350 N SER A 26 -6.596 1.585 0.379 1.00 0.00 N ATOM 351 CA SER A 26 -5.979 2.795 -0.151 1.00 0.00 C ATOM 352 C SER A 26 -4.458 2.719 -0.049 1.00 0.00 C ATOM 353 O SER A 26 -3.916 2.148 0.897 1.00 0.00 O ATOM 354 CB SER A 26 -6.490 4.026 0.600 1.00 0.00 C ATOM 355 OG SER A 26 -6.021 4.038 1.938 1.00 0.00 O ATOM 0 H SER A 26 -7.054 1.706 1.282 1.00 0.00 H new ATOM 0 HA SER A 26 -6.252 2.881 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.162 4.931 0.088 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.580 4.034 0.593 1.00 0.00 H new ATOM 0 HG SER A 26 -6.360 4.835 2.396 1.00 0.00 H new ATOM 361 N SER A 27 -3.776 3.298 -1.032 1.00 0.00 N ATOM 362 CA SER A 27 -2.318 3.292 -1.057 1.00 0.00 C ATOM 363 C SER A 27 -1.791 4.142 -2.209 1.00 0.00 C ATOM 364 O SER A 27 -2.131 3.914 -3.371 1.00 0.00 O ATOM 365 CB SER A 27 -1.794 1.861 -1.183 1.00 0.00 C ATOM 366 OG SER A 27 -0.500 1.739 -0.617 1.00 0.00 O ATOM 0 H SER A 27 -4.210 3.777 -1.821 1.00 0.00 H new ATOM 0 HA SER A 27 -1.962 3.720 -0.120 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.478 1.175 -0.684 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.763 1.573 -2.234 1.00 0.00 H new ATOM 0 HG SER A 27 0.125 1.410 -1.297 1.00 0.00 H new ATOM 372 N LEU A 28 -0.958 5.123 -1.880 1.00 0.00 N ATOM 373 CA LEU A 28 -0.383 6.009 -2.886 1.00 0.00 C ATOM 374 C LEU A 28 -1.477 6.692 -3.699 1.00 0.00 C ATOM 375 O LEU A 28 -1.291 6.998 -4.877 1.00 0.00 O ATOM 376 CB LEU A 28 0.544 5.223 -3.815 1.00 0.00 C ATOM 377 CG LEU A 28 1.972 5.005 -3.312 1.00 0.00 C ATOM 378 CD1 LEU A 28 1.975 4.092 -2.096 1.00 0.00 C ATOM 379 CD2 LEU A 28 2.844 4.428 -4.417 1.00 0.00 C ATOM 0 H LEU A 28 -0.666 5.325 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 28 0.194 6.777 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.094 4.248 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.593 5.743 -4.772 1.00 0.00 H new ATOM 0 HG LEU A 28 2.385 5.970 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.999 3.948 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.385 4.545 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.543 3.128 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.856 4.279 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.434 3.472 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.867 5.119 -5.260 1.00 0.00 H new ATOM 391 N GLY A 29 -2.619 6.932 -3.062 1.00 0.00 N ATOM 392 CA GLY A 29 -3.726 7.580 -3.742 1.00 0.00 C ATOM 393 C GLY A 29 -4.402 6.669 -4.748 1.00 0.00 C ATOM 394 O GLY A 29 -5.098 7.136 -5.650 1.00 0.00 O ATOM 0 H GLY A 29 -2.798 6.689 -2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.458 7.909 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.363 8.473 -4.251 1.00 0.00 H new ATOM 398 N LYS A 30 -4.195 5.366 -4.595 1.00 0.00 N ATOM 399 CA LYS A 30 -4.789 4.386 -5.498 1.00 0.00 C ATOM 400 C LYS A 30 -5.593 3.348 -4.721 1.00 0.00 C ATOM 401 O LYS A 30 -5.624 3.367 -3.491 1.00 0.00 O ATOM 402 CB LYS A 30 -3.700 3.693 -6.319 1.00 0.00 C ATOM 403 CG LYS A 30 -2.967 4.626 -7.268 1.00 0.00 C ATOM 404 CD LYS A 30 -3.845 5.034 -8.439 1.00 0.00 C ATOM 405 CE LYS A 30 -3.855 3.969 -9.525 1.00 0.00 C ATOM 406 NZ LYS A 30 -2.672 4.081 -10.422 1.00 0.00 N ATOM 0 H LYS A 30 -3.621 4.963 -3.855 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.464 4.913 -6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.978 3.239 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.150 2.884 -6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.644 5.516 -6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.068 4.135 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.863 5.208 -8.089 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.485 5.975 -8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.870 2.981 -9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.768 4.060 -10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.716 3.338 -11.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.671 5.014 -10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.801 3.969 -9.864 1.00 0.00 H new ATOM 420 N ASP A 31 -6.239 2.443 -5.448 1.00 0.00 N ATOM 421 CA ASP A 31 -7.041 1.395 -4.826 1.00 0.00 C ATOM 422 C ASP A 31 -6.592 0.015 -5.298 1.00 0.00 C ATOM 423 O ASP A 31 -6.800 -0.354 -6.454 1.00 0.00 O ATOM 424 CB ASP A 31 -8.522 1.600 -5.146 1.00 0.00 C ATOM 425 CG ASP A 31 -9.051 2.920 -4.621 1.00 0.00 C ATOM 426 OD1 ASP A 31 -8.342 3.939 -4.759 1.00 0.00 O ATOM 427 OD2 ASP A 31 -10.172 2.935 -4.072 1.00 0.00 O ATOM 0 H ASP A 31 -6.223 2.414 -6.467 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.899 1.454 -3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.667 1.558 -6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.100 0.783 -4.715 1.00 0.00 H new ATOM 432 N TRP A 32 -5.974 -0.740 -4.398 1.00 0.00 N ATOM 433 CA TRP A 32 -5.494 -2.079 -4.723 1.00 0.00 C ATOM 434 C TRP A 32 -6.222 -3.133 -3.897 1.00 0.00 C ATOM 435 O TRP A 32 -7.157 -2.821 -3.158 1.00 0.00 O ATOM 436 CB TRP A 32 -3.987 -2.175 -4.482 1.00 0.00 C ATOM 437 CG TRP A 32 -3.267 -0.878 -4.697 1.00 0.00 C ATOM 438 CD1 TRP A 32 -3.442 0.282 -3.998 1.00 0.00 C ATOM 439 CD2 TRP A 32 -2.260 -0.610 -5.678 1.00 0.00 C ATOM 440 NE1 TRP A 32 -2.604 1.255 -4.486 1.00 0.00 N ATOM 441 CE2 TRP A 32 -1.868 0.733 -5.516 1.00 0.00 C ATOM 442 CE3 TRP A 32 -1.649 -1.374 -6.676 1.00 0.00 C ATOM 443 CZ2 TRP A 32 -0.895 1.326 -6.316 1.00 0.00 C ATOM 444 CZ3 TRP A 32 -0.684 -0.784 -7.470 1.00 0.00 C ATOM 445 CH2 TRP A 32 -0.314 0.555 -7.286 1.00 0.00 C ATOM 0 H TRP A 32 -5.793 -0.449 -3.437 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.699 -2.266 -5.777 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.810 -2.515 -3.462 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.567 -2.930 -5.147 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.137 0.415 -3.182 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.540 2.212 -4.138 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.926 -2.407 -6.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.609 2.358 -6.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.207 -1.365 -8.246 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.444 0.987 -7.922 1.00 0.00 H new ATOM 456 N HIS A 33 -5.789 -4.383 -4.026 1.00 0.00 N ATOM 457 CA HIS A 33 -6.400 -5.484 -3.290 1.00 0.00 C ATOM 458 C HIS A 33 -5.458 -6.003 -2.208 1.00 0.00 C ATOM 459 O HIS A 33 -4.260 -5.717 -2.222 1.00 0.00 O ATOM 460 CB HIS A 33 -6.773 -6.619 -4.244 1.00 0.00 C ATOM 461 CG HIS A 33 -7.831 -6.244 -5.236 1.00 0.00 C ATOM 462 ND1 HIS A 33 -7.673 -6.393 -6.597 1.00 0.00 N ATOM 463 CD2 HIS A 33 -9.068 -5.725 -5.056 1.00 0.00 C ATOM 464 CE1 HIS A 33 -8.767 -5.980 -7.213 1.00 0.00 C ATOM 465 NE2 HIS A 33 -9.629 -5.570 -6.300 1.00 0.00 N ATOM 0 H HIS A 33 -5.017 -4.659 -4.633 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.305 -5.110 -2.811 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.880 -6.940 -4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.119 -7.473 -3.662 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.528 -5.479 -4.110 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -8.929 -5.978 -8.281 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -10.560 -5.199 -6.488 1.00 0.00 H new ATOM 473 N LYS A 34 -6.006 -6.767 -1.269 1.00 0.00 N ATOM 474 CA LYS A 34 -5.216 -7.327 -0.179 1.00 0.00 C ATOM 475 C LYS A 34 -4.238 -8.376 -0.699 1.00 0.00 C ATOM 476 O LYS A 34 -3.320 -8.789 0.010 1.00 0.00 O ATOM 477 CB LYS A 34 -6.133 -7.948 0.877 1.00 0.00 C ATOM 478 CG LYS A 34 -6.503 -6.994 1.998 1.00 0.00 C ATOM 479 CD LYS A 34 -7.783 -6.236 1.686 1.00 0.00 C ATOM 480 CE LYS A 34 -8.548 -5.888 2.954 1.00 0.00 C ATOM 481 NZ LYS A 34 -9.546 -4.807 2.721 1.00 0.00 N ATOM 0 H LYS A 34 -6.996 -7.013 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.645 -6.517 0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.045 -8.298 0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.642 -8.823 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.627 -7.552 2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.690 -6.286 2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.543 -5.322 1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.414 -6.839 1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.056 -6.777 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.846 -5.574 3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.536 -4.147 3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.305 -4.294 1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.494 -5.224 2.627 1.00 0.00 H new ATOM 495 N PHE A 35 -4.440 -8.802 -1.941 1.00 0.00 N ATOM 496 CA PHE A 35 -3.575 -9.803 -2.556 1.00 0.00 C ATOM 497 C PHE A 35 -2.745 -9.188 -3.679 1.00 0.00 C ATOM 498 O PHE A 35 -1.800 -9.802 -4.176 1.00 0.00 O ATOM 499 CB PHE A 35 -4.410 -10.963 -3.101 1.00 0.00 C ATOM 500 CG PHE A 35 -5.358 -11.546 -2.092 1.00 0.00 C ATOM 501 CD1 PHE A 35 -4.917 -11.884 -0.822 1.00 0.00 C ATOM 502 CD2 PHE A 35 -6.689 -11.757 -2.413 1.00 0.00 C ATOM 503 CE1 PHE A 35 -5.786 -12.420 0.109 1.00 0.00 C ATOM 504 CE2 PHE A 35 -7.563 -12.293 -1.485 1.00 0.00 C ATOM 505 CZ PHE A 35 -7.110 -12.626 -0.223 1.00 0.00 C ATOM 0 H PHE A 35 -5.195 -8.470 -2.542 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.897 -10.180 -1.791 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.979 -10.617 -3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.741 -11.747 -3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.882 -11.727 -0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.048 -11.500 -3.399 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.430 -12.678 1.095 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.599 -12.451 -1.747 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.790 -13.047 0.502 1.00 0.00 H new ATOM 515 N CYS A 36 -3.104 -7.971 -4.074 1.00 0.00 N ATOM 516 CA CYS A 36 -2.394 -7.272 -5.138 1.00 0.00 C ATOM 517 C CYS A 36 -1.393 -6.276 -4.561 1.00 0.00 C ATOM 518 O CYS A 36 -0.626 -5.652 -5.296 1.00 0.00 O ATOM 519 CB CYS A 36 -3.386 -6.545 -6.049 1.00 0.00 C ATOM 520 SG CYS A 36 -4.297 -7.643 -7.182 1.00 0.00 S ATOM 0 H CYS A 36 -3.883 -7.448 -3.673 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.848 -8.012 -5.723 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.102 -6.004 -5.430 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.846 -5.802 -6.636 1.00 0.00 H new ATOM 525 N LEU A 37 -1.405 -6.131 -3.241 1.00 0.00 N ATOM 526 CA LEU A 37 -0.498 -5.211 -2.563 1.00 0.00 C ATOM 527 C LEU A 37 0.801 -5.912 -2.178 1.00 0.00 C ATOM 528 O LEU A 37 1.494 -5.493 -1.251 1.00 0.00 O ATOM 529 CB LEU A 37 -1.167 -4.631 -1.316 1.00 0.00 C ATOM 530 CG LEU A 37 -0.552 -3.346 -0.761 1.00 0.00 C ATOM 531 CD1 LEU A 37 -0.556 -2.252 -1.818 1.00 0.00 C ATOM 532 CD2 LEU A 37 -1.300 -2.890 0.483 1.00 0.00 C ATOM 0 H LEU A 37 -2.033 -6.639 -2.618 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.261 -4.400 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.215 -4.439 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.147 -5.388 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 37 0.482 -3.552 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.115 -1.345 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.025 -2.578 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.581 -2.048 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.848 -1.974 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.344 -2.702 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.245 -3.666 1.246 1.00 0.00 H new ATOM 544 N LYS A 38 1.127 -6.980 -2.898 1.00 0.00 N ATOM 545 CA LYS A 38 2.344 -7.738 -2.636 1.00 0.00 C ATOM 546 C LYS A 38 3.475 -7.287 -3.555 1.00 0.00 C ATOM 547 O LYS A 38 3.233 -6.779 -4.651 1.00 0.00 O ATOM 548 CB LYS A 38 2.088 -9.235 -2.822 1.00 0.00 C ATOM 549 CG LYS A 38 1.493 -9.908 -1.597 1.00 0.00 C ATOM 550 CD LYS A 38 2.576 -10.439 -0.672 1.00 0.00 C ATOM 551 CE LYS A 38 1.979 -11.107 0.557 1.00 0.00 C ATOM 552 NZ LYS A 38 2.849 -12.201 1.071 1.00 0.00 N ATOM 0 H LYS A 38 0.564 -7.340 -3.669 1.00 0.00 H new ATOM 0 HA LYS A 38 2.642 -7.552 -1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.415 -9.377 -3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.027 -9.727 -3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.868 -9.196 -1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.846 -10.728 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.198 -11.154 -1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.226 -9.620 -0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.831 -10.363 1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.997 -11.510 0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.408 -12.631 1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.970 -12.924 0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.778 -11.813 1.330 1.00 0.00 H new ATOM 566 N CYS A 39 4.710 -7.477 -3.104 1.00 0.00 N ATOM 567 CA CYS A 39 5.879 -7.090 -3.886 1.00 0.00 C ATOM 568 C CYS A 39 6.156 -8.109 -4.988 1.00 0.00 C ATOM 569 O CYS A 39 5.903 -9.301 -4.822 1.00 0.00 O ATOM 570 CB CYS A 39 7.104 -6.958 -2.979 1.00 0.00 C ATOM 571 SG CYS A 39 8.508 -6.090 -3.749 1.00 0.00 S ATOM 0 H CYS A 39 4.928 -7.897 -2.200 1.00 0.00 H new ATOM 0 HA CYS A 39 5.673 -6.125 -4.350 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.816 -6.427 -2.072 1.00 0.00 H new ATOM 0 HB3 CYS A 39 7.428 -7.954 -2.676 1.00 0.00 H new ATOM 576 N GLU A 40 6.678 -7.628 -6.112 1.00 0.00 N ATOM 577 CA GLU A 40 6.989 -8.496 -7.242 1.00 0.00 C ATOM 578 C GLU A 40 8.470 -8.864 -7.253 1.00 0.00 C ATOM 579 O GLU A 40 8.945 -9.542 -8.164 1.00 0.00 O ATOM 580 CB GLU A 40 6.612 -7.813 -8.558 1.00 0.00 C ATOM 581 CG GLU A 40 6.653 -8.742 -9.759 1.00 0.00 C ATOM 582 CD GLU A 40 5.914 -10.043 -9.516 1.00 0.00 C ATOM 583 OE1 GLU A 40 4.683 -10.074 -9.728 1.00 0.00 O ATOM 584 OE2 GLU A 40 6.565 -11.030 -9.114 1.00 0.00 O ATOM 0 H GLU A 40 6.894 -6.643 -6.264 1.00 0.00 H new ATOM 0 HA GLU A 40 6.405 -9.411 -7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.609 -7.395 -8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.291 -6.978 -8.732 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.216 -8.236 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.691 -8.960 -10.010 1.00 0.00 H new ATOM 591 N ARG A 41 9.194 -8.413 -6.234 1.00 0.00 N ATOM 592 CA ARG A 41 10.621 -8.693 -6.127 1.00 0.00 C ATOM 593 C ARG A 41 10.890 -9.737 -5.048 1.00 0.00 C ATOM 594 O ARG A 41 11.484 -10.783 -5.315 1.00 0.00 O ATOM 595 CB ARG A 41 11.392 -7.409 -5.813 1.00 0.00 C ATOM 596 CG ARG A 41 12.862 -7.473 -6.194 1.00 0.00 C ATOM 597 CD ARG A 41 13.099 -6.918 -7.590 1.00 0.00 C ATOM 598 NE ARG A 41 13.002 -7.955 -8.615 1.00 0.00 N ATOM 599 CZ ARG A 41 13.596 -7.874 -9.800 1.00 0.00 C ATOM 600 NH1 ARG A 41 14.326 -6.811 -10.109 1.00 0.00 N ATOM 601 NH2 ARG A 41 13.461 -8.858 -10.680 1.00 0.00 N ATOM 0 H ARG A 41 8.816 -7.852 -5.471 1.00 0.00 H new ATOM 0 HA ARG A 41 10.961 -9.088 -7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.925 -6.577 -6.339 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.311 -7.198 -4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.451 -6.908 -5.472 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.206 -8.506 -6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.370 -6.134 -7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.085 -6.456 -7.634 1.00 0.00 H new ATOM 0 HE ARG A 41 12.448 -8.786 -8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.433 -6.052 -9.436 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.781 -6.752 -11.020 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.901 -9.678 -10.447 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.918 -8.795 -11.590 1.00 0.00 H new ATOM 615 N CYS A 42 10.450 -9.448 -3.828 1.00 0.00 N ATOM 616 CA CYS A 42 10.644 -10.360 -2.708 1.00 0.00 C ATOM 617 C CYS A 42 9.319 -10.982 -2.277 1.00 0.00 C ATOM 618 O CYS A 42 9.194 -11.494 -1.164 1.00 0.00 O ATOM 619 CB CYS A 42 11.283 -9.625 -1.528 1.00 0.00 C ATOM 620 SG CYS A 42 10.280 -8.249 -0.879 1.00 0.00 S ATOM 0 H CYS A 42 9.956 -8.588 -3.590 1.00 0.00 H new ATOM 0 HA CYS A 42 11.311 -11.158 -3.034 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.465 -10.339 -0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 42 12.254 -9.239 -1.837 1.00 0.00 H new ATOM 625 N SER A 43 8.332 -10.934 -3.166 1.00 0.00 N ATOM 626 CA SER A 43 7.015 -11.489 -2.877 1.00 0.00 C ATOM 627 C SER A 43 6.669 -11.325 -1.401 1.00 0.00 C ATOM 628 O SER A 43 6.035 -12.193 -0.799 1.00 0.00 O ATOM 629 CB SER A 43 6.966 -12.968 -3.264 1.00 0.00 C ATOM 630 OG SER A 43 6.668 -13.126 -4.640 1.00 0.00 O ATOM 0 H SER A 43 8.420 -10.516 -4.092 1.00 0.00 H new ATOM 0 HA SER A 43 6.279 -10.942 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.924 -13.438 -3.040 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.213 -13.479 -2.665 1.00 0.00 H new ATOM 0 HG SER A 43 6.644 -14.080 -4.862 1.00 0.00 H new ATOM 636 N LYS A 44 7.090 -10.207 -0.821 1.00 0.00 N ATOM 637 CA LYS A 44 6.825 -9.926 0.585 1.00 0.00 C ATOM 638 C LYS A 44 5.646 -8.970 0.736 1.00 0.00 C ATOM 639 O LYS A 44 5.354 -8.180 -0.163 1.00 0.00 O ATOM 640 CB LYS A 44 8.067 -9.329 1.250 1.00 0.00 C ATOM 641 CG LYS A 44 7.937 -9.176 2.756 1.00 0.00 C ATOM 642 CD LYS A 44 8.870 -8.102 3.290 1.00 0.00 C ATOM 643 CE LYS A 44 10.251 -8.663 3.590 1.00 0.00 C ATOM 644 NZ LYS A 44 11.126 -8.657 2.385 1.00 0.00 N ATOM 0 H LYS A 44 7.617 -9.479 -1.304 1.00 0.00 H new ATOM 0 HA LYS A 44 6.573 -10.866 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.926 -9.963 1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.270 -8.353 0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.907 -8.924 3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.160 -10.127 3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.954 -7.296 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.447 -7.669 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.718 -8.075 4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.155 -9.682 3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.557 -9.596 2.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.558 -8.426 1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.875 -7.945 2.503 1.00 0.00 H new ATOM 658 N THR A 45 4.971 -9.046 1.879 1.00 0.00 N ATOM 659 CA THR A 45 3.824 -8.188 2.148 1.00 0.00 C ATOM 660 C THR A 45 4.246 -6.728 2.269 1.00 0.00 C ATOM 661 O THR A 45 5.238 -6.410 2.925 1.00 0.00 O ATOM 662 CB THR A 45 3.097 -8.609 3.439 1.00 0.00 C ATOM 663 OG1 THR A 45 2.773 -10.003 3.386 1.00 0.00 O ATOM 664 CG2 THR A 45 1.828 -7.795 3.636 1.00 0.00 C ATOM 0 H THR A 45 5.199 -9.693 2.633 1.00 0.00 H new ATOM 0 HA THR A 45 3.143 -8.298 1.304 1.00 0.00 H new ATOM 0 HB THR A 45 3.763 -8.423 4.282 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.313 -10.263 4.211 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.332 -8.110 4.554 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.081 -6.737 3.706 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.159 -7.953 2.790 1.00 0.00 H new ATOM 672 N LEU A 46 3.486 -5.843 1.633 1.00 0.00 N ATOM 673 CA LEU A 46 3.781 -4.415 1.670 1.00 0.00 C ATOM 674 C LEU A 46 2.718 -3.660 2.462 1.00 0.00 C ATOM 675 O LEU A 46 1.567 -4.089 2.544 1.00 0.00 O ATOM 676 CB LEU A 46 3.869 -3.855 0.249 1.00 0.00 C ATOM 677 CG LEU A 46 4.945 -4.467 -0.648 1.00 0.00 C ATOM 678 CD1 LEU A 46 4.765 -4.008 -2.087 1.00 0.00 C ATOM 679 CD2 LEU A 46 6.333 -4.105 -0.140 1.00 0.00 C ATOM 0 H LEU A 46 2.661 -6.089 1.086 1.00 0.00 H new ATOM 0 HA LEU A 46 4.742 -4.280 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.901 -3.991 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.045 -2.781 0.313 1.00 0.00 H new ATOM 0 HG LEU A 46 4.841 -5.552 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.540 -4.454 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.785 -4.319 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.841 -2.922 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.086 -4.549 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.449 -3.021 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.460 -4.485 0.874 1.00 0.00 H new ATOM 691 N THR A 47 3.111 -2.530 3.042 1.00 0.00 N ATOM 692 CA THR A 47 2.193 -1.714 3.826 1.00 0.00 C ATOM 693 C THR A 47 1.529 -0.648 2.961 1.00 0.00 C ATOM 694 O THR A 47 2.192 0.175 2.330 1.00 0.00 O ATOM 695 CB THR A 47 2.914 -1.029 5.002 1.00 0.00 C ATOM 696 OG1 THR A 47 3.290 -2.004 5.981 1.00 0.00 O ATOM 697 CG2 THR A 47 2.022 0.023 5.644 1.00 0.00 C ATOM 0 H THR A 47 4.059 -2.159 2.983 1.00 0.00 H new ATOM 0 HA THR A 47 1.430 -2.386 4.219 1.00 0.00 H new ATOM 0 HB THR A 47 3.808 -0.539 4.616 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.749 -1.561 6.725 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.552 0.493 6.472 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.761 0.779 4.904 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.113 -0.449 6.017 1.00 0.00 H new ATOM 705 N PRO A 48 0.188 -0.660 2.931 1.00 0.00 N ATOM 706 CA PRO A 48 -0.594 0.301 2.147 1.00 0.00 C ATOM 707 C PRO A 48 -0.523 1.711 2.722 1.00 0.00 C ATOM 708 O PRO A 48 -1.310 2.078 3.593 1.00 0.00 O ATOM 709 CB PRO A 48 -2.022 -0.244 2.243 1.00 0.00 C ATOM 710 CG PRO A 48 -2.045 -1.028 3.509 1.00 0.00 C ATOM 711 CD PRO A 48 -0.667 -1.613 3.658 1.00 0.00 C ATOM 0 HA PRO A 48 -0.225 0.392 1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.753 0.564 2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.265 -0.871 1.385 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.293 -0.391 4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.800 -1.813 3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.377 -1.696 4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.607 -2.614 3.231 1.00 0.00 H new ATOM 719 N GLY A 49 0.427 2.500 2.226 1.00 0.00 N ATOM 720 CA GLY A 49 0.583 3.862 2.702 1.00 0.00 C ATOM 721 C GLY A 49 2.030 4.217 2.978 1.00 0.00 C ATOM 722 O GLY A 49 2.320 5.048 3.838 1.00 0.00 O ATOM 0 H GLY A 49 1.090 2.220 1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.178 4.551 1.961 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.001 3.994 3.613 1.00 0.00 H new ATOM 726 N GLY A 50 2.943 3.585 2.247 1.00 0.00 N ATOM 727 CA GLY A 50 4.358 3.851 2.433 1.00 0.00 C ATOM 728 C GLY A 50 5.236 2.859 1.698 1.00 0.00 C ATOM 729 O GLY A 50 5.872 2.004 2.316 1.00 0.00 O ATOM 0 H GLY A 50 2.728 2.893 1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.584 4.859 2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.593 3.821 3.497 1.00 0.00 H new ATOM 733 N HIS A 51 5.272 2.970 0.374 1.00 0.00 N ATOM 734 CA HIS A 51 6.079 2.074 -0.447 1.00 0.00 C ATOM 735 C HIS A 51 6.330 2.679 -1.825 1.00 0.00 C ATOM 736 O HIS A 51 5.746 3.702 -2.181 1.00 0.00 O ATOM 737 CB HIS A 51 5.386 0.718 -0.592 1.00 0.00 C ATOM 738 CG HIS A 51 4.169 0.757 -1.463 1.00 0.00 C ATOM 739 ND1 HIS A 51 4.208 1.109 -2.796 1.00 0.00 N ATOM 740 CD2 HIS A 51 2.873 0.483 -1.186 1.00 0.00 C ATOM 741 CE1 HIS A 51 2.988 1.052 -3.300 1.00 0.00 C ATOM 742 NE2 HIS A 51 2.159 0.674 -2.344 1.00 0.00 N ATOM 0 H HIS A 51 4.752 3.671 -0.153 1.00 0.00 H new ATOM 0 HA HIS A 51 7.039 1.932 0.049 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.095 -0.001 -1.004 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.104 0.356 0.397 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.048 1.372 -3.312 1.00 0.00 H new ATOM 0 HD2 HIS A 51 2.474 0.172 -0.232 1.00 0.00 H new ATOM 0 HE1 HIS A 51 2.715 1.276 -4.321 1.00 0.00 H new ATOM 750 N ALA A 52 7.204 2.040 -2.596 1.00 0.00 N ATOM 751 CA ALA A 52 7.533 2.514 -3.934 1.00 0.00 C ATOM 752 C ALA A 52 6.714 1.782 -4.992 1.00 0.00 C ATOM 753 O ALA A 52 6.132 0.732 -4.723 1.00 0.00 O ATOM 754 CB ALA A 52 9.020 2.345 -4.205 1.00 0.00 C ATOM 0 H ALA A 52 7.697 1.192 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 52 7.284 3.574 -3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.250 2.704 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.590 2.919 -3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.287 1.291 -4.126 1.00 0.00 H new ATOM 760 N GLU A 53 6.673 2.344 -6.196 1.00 0.00 N ATOM 761 CA GLU A 53 5.924 1.744 -7.294 1.00 0.00 C ATOM 762 C GLU A 53 6.718 1.810 -8.595 1.00 0.00 C ATOM 763 O GLU A 53 7.485 2.746 -8.821 1.00 0.00 O ATOM 764 CB GLU A 53 4.578 2.452 -7.469 1.00 0.00 C ATOM 765 CG GLU A 53 4.686 3.805 -8.151 1.00 0.00 C ATOM 766 CD GLU A 53 5.157 4.897 -7.211 1.00 0.00 C ATOM 767 OE1 GLU A 53 6.370 4.942 -6.915 1.00 0.00 O ATOM 768 OE2 GLU A 53 4.314 5.706 -6.770 1.00 0.00 O ATOM 0 H GLU A 53 7.149 3.213 -6.436 1.00 0.00 H new ATOM 0 HA GLU A 53 5.747 0.697 -7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.914 1.813 -8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.116 2.584 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.377 3.730 -8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.714 4.079 -8.562 1.00 0.00 H new ATOM 775 N HIS A 54 6.529 0.808 -9.448 1.00 0.00 N ATOM 776 CA HIS A 54 7.228 0.751 -10.727 1.00 0.00 C ATOM 777 C HIS A 54 6.393 0.013 -11.770 1.00 0.00 C ATOM 778 O HIS A 54 6.133 -1.183 -11.637 1.00 0.00 O ATOM 779 CB HIS A 54 8.583 0.063 -10.562 1.00 0.00 C ATOM 780 CG HIS A 54 9.064 -0.619 -11.805 1.00 0.00 C ATOM 781 ND1 HIS A 54 9.193 -1.988 -11.911 1.00 0.00 N ATOM 782 CD2 HIS A 54 9.447 -0.114 -13.001 1.00 0.00 C ATOM 783 CE1 HIS A 54 9.635 -2.295 -13.117 1.00 0.00 C ATOM 784 NE2 HIS A 54 9.798 -1.175 -13.799 1.00 0.00 N ATOM 0 H HIS A 54 5.898 0.025 -9.277 1.00 0.00 H new ATOM 0 HA HIS A 54 7.388 1.773 -11.071 1.00 0.00 H new ATOM 0 HB2 HIS A 54 9.322 0.803 -10.255 1.00 0.00 H new ATOM 0 HB3 HIS A 54 8.513 -0.671 -9.759 1.00 0.00 H new ATOM 0 HD1 HIS A 54 8.980 -2.659 -11.173 1.00 0.00 H new ATOM 0 HD2 HIS A 54 9.472 0.930 -13.277 1.00 0.00 H new ATOM 0 HE1 HIS A 54 9.830 -3.292 -13.484 1.00 0.00 H new ATOM 792 N ASP A 55 5.976 0.733 -12.805 1.00 0.00 N ATOM 793 CA ASP A 55 5.171 0.147 -13.870 1.00 0.00 C ATOM 794 C ASP A 55 3.854 -0.393 -13.321 1.00 0.00 C ATOM 795 O ASP A 55 3.355 -1.421 -13.776 1.00 0.00 O ATOM 796 CB ASP A 55 5.946 -0.974 -14.566 1.00 0.00 C ATOM 797 CG ASP A 55 5.551 -1.133 -16.021 1.00 0.00 C ATOM 798 OD1 ASP A 55 4.361 -0.929 -16.338 1.00 0.00 O ATOM 799 OD2 ASP A 55 6.432 -1.464 -16.842 1.00 0.00 O ATOM 0 H ASP A 55 6.182 1.724 -12.929 1.00 0.00 H new ATOM 0 HA ASP A 55 4.948 0.929 -14.596 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.014 -0.767 -14.503 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.772 -1.913 -14.040 1.00 0.00 H new ATOM 804 N GLY A 56 3.296 0.309 -12.339 1.00 0.00 N ATOM 805 CA GLY A 56 2.043 -0.116 -11.744 1.00 0.00 C ATOM 806 C GLY A 56 2.241 -1.139 -10.643 1.00 0.00 C ATOM 807 O GLY A 56 1.402 -1.274 -9.752 1.00 0.00 O ATOM 0 H GLY A 56 3.689 1.164 -11.945 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.524 0.753 -11.339 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.402 -0.539 -12.518 1.00 0.00 H new ATOM 811 N LYS A 57 3.354 -1.863 -10.704 1.00 0.00 N ATOM 812 CA LYS A 57 3.661 -2.880 -9.705 1.00 0.00 C ATOM 813 C LYS A 57 4.502 -2.295 -8.574 1.00 0.00 C ATOM 814 O LYS A 57 5.528 -1.654 -8.800 1.00 0.00 O ATOM 815 CB LYS A 57 4.401 -4.052 -10.352 1.00 0.00 C ATOM 816 CG LYS A 57 3.477 -5.108 -10.934 1.00 0.00 C ATOM 817 CD LYS A 57 2.785 -4.611 -12.193 1.00 0.00 C ATOM 818 CE LYS A 57 2.351 -5.765 -13.083 1.00 0.00 C ATOM 819 NZ LYS A 57 1.021 -6.303 -12.683 1.00 0.00 N ATOM 0 H LYS A 57 4.058 -1.764 -11.435 1.00 0.00 H new ATOM 0 HA LYS A 57 2.721 -3.239 -9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.047 -3.671 -11.143 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.048 -4.517 -9.608 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.049 -6.007 -11.163 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.729 -5.387 -10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.915 -4.014 -11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.459 -3.957 -12.746 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.310 -5.429 -14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.094 -6.561 -13.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.760 -7.088 -13.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.066 -6.647 -11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.307 -5.550 -12.754 1.00 0.00 H new ATOM 833 N PRO A 58 4.060 -2.523 -7.328 1.00 0.00 N ATOM 834 CA PRO A 58 4.759 -2.029 -6.138 1.00 0.00 C ATOM 835 C PRO A 58 6.084 -2.746 -5.905 1.00 0.00 C ATOM 836 O PRO A 58 6.250 -3.905 -6.288 1.00 0.00 O ATOM 837 CB PRO A 58 3.780 -2.330 -5.001 1.00 0.00 C ATOM 838 CG PRO A 58 2.961 -3.471 -5.499 1.00 0.00 C ATOM 839 CD PRO A 58 2.844 -3.280 -6.986 1.00 0.00 C ATOM 0 HA PRO A 58 5.019 -0.974 -6.226 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.307 -2.592 -4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.157 -1.464 -4.775 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.436 -4.424 -5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.978 -3.480 -5.028 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.803 -4.234 -7.512 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.941 -2.731 -7.251 1.00 0.00 H new ATOM 847 N PHE A 59 7.024 -2.052 -5.273 1.00 0.00 N ATOM 848 CA PHE A 59 8.335 -2.624 -4.988 1.00 0.00 C ATOM 849 C PHE A 59 8.956 -1.974 -3.754 1.00 0.00 C ATOM 850 O PHE A 59 9.006 -0.749 -3.642 1.00 0.00 O ATOM 851 CB PHE A 59 9.264 -2.448 -6.192 1.00 0.00 C ATOM 852 CG PHE A 59 8.807 -3.191 -7.414 1.00 0.00 C ATOM 853 CD1 PHE A 59 9.215 -4.496 -7.641 1.00 0.00 C ATOM 854 CD2 PHE A 59 7.970 -2.586 -8.337 1.00 0.00 C ATOM 855 CE1 PHE A 59 8.797 -5.182 -8.766 1.00 0.00 C ATOM 856 CE2 PHE A 59 7.548 -3.267 -9.464 1.00 0.00 C ATOM 857 CZ PHE A 59 7.961 -4.567 -9.677 1.00 0.00 C ATOM 0 H PHE A 59 6.903 -1.093 -4.948 1.00 0.00 H new ATOM 0 HA PHE A 59 8.204 -3.688 -4.790 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.341 -1.387 -6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.264 -2.788 -5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.867 -4.983 -6.931 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.643 -1.570 -8.174 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.124 -6.198 -8.932 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.896 -2.783 -10.176 1.00 0.00 H new ATOM 0 HZ PHE A 59 7.631 -5.102 -10.555 1.00 0.00 H new ATOM 867 N CYS A 60 9.427 -2.805 -2.830 1.00 0.00 N ATOM 868 CA CYS A 60 10.043 -2.314 -1.603 1.00 0.00 C ATOM 869 C CYS A 60 11.035 -1.194 -1.903 1.00 0.00 C ATOM 870 O CYS A 60 11.562 -1.097 -3.012 1.00 0.00 O ATOM 871 CB CYS A 60 10.751 -3.456 -0.872 1.00 0.00 C ATOM 872 SG CYS A 60 9.693 -4.903 -0.550 1.00 0.00 S ATOM 0 H CYS A 60 9.394 -3.821 -2.908 1.00 0.00 H new ATOM 0 HA CYS A 60 9.255 -1.915 -0.964 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.611 -3.773 -1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.136 -3.082 0.077 1.00 0.00 H new ATOM 877 N HIS A 61 11.284 -0.349 -0.907 1.00 0.00 N ATOM 878 CA HIS A 61 12.213 0.764 -1.063 1.00 0.00 C ATOM 879 C HIS A 61 13.524 0.294 -1.688 1.00 0.00 C ATOM 880 O HIS A 61 14.051 0.929 -2.602 1.00 0.00 O ATOM 881 CB HIS A 61 12.486 1.422 0.290 1.00 0.00 C ATOM 882 CG HIS A 61 11.476 2.461 0.665 1.00 0.00 C ATOM 883 ND1 HIS A 61 11.313 3.639 -0.033 1.00 0.00 N ATOM 884 CD2 HIS A 61 10.571 2.494 1.672 1.00 0.00 C ATOM 885 CE1 HIS A 61 10.353 4.352 0.530 1.00 0.00 C ATOM 886 NE2 HIS A 61 9.887 3.679 1.566 1.00 0.00 N ATOM 0 H HIS A 61 10.855 -0.414 0.016 1.00 0.00 H new ATOM 0 HA HIS A 61 11.756 1.496 -1.728 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.507 0.652 1.061 1.00 0.00 H new ATOM 0 HB3 HIS A 61 13.475 1.879 0.269 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.416 1.730 2.419 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.008 5.320 0.199 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.140 3.990 2.187 1.00 0.00 H new ATOM 894 N LYS A 62 14.045 -0.821 -1.188 1.00 0.00 N ATOM 895 CA LYS A 62 15.293 -1.377 -1.697 1.00 0.00 C ATOM 896 C LYS A 62 15.677 -2.641 -0.933 1.00 0.00 C ATOM 897 O LYS A 62 15.198 -2.897 0.172 1.00 0.00 O ATOM 898 CB LYS A 62 16.417 -0.343 -1.590 1.00 0.00 C ATOM 899 CG LYS A 62 16.284 0.578 -0.390 1.00 0.00 C ATOM 900 CD LYS A 62 16.980 1.908 -0.628 1.00 0.00 C ATOM 901 CE LYS A 62 16.032 2.933 -1.231 1.00 0.00 C ATOM 902 NZ LYS A 62 16.528 4.325 -1.043 1.00 0.00 N ATOM 0 H LYS A 62 13.622 -1.358 -0.431 1.00 0.00 H new ATOM 0 HA LYS A 62 15.145 -1.637 -2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.373 -0.863 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 62 16.434 0.258 -2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.229 0.751 -0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.710 0.095 0.489 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.375 2.287 0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.830 1.761 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.909 2.732 -2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.049 2.833 -0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.854 4.994 -1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.622 4.526 -0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.455 4.428 -1.503 1.00 0.00 H new ATOM 916 N PRO A 63 16.562 -3.450 -1.533 1.00 0.00 N ATOM 917 CA PRO A 63 17.139 -3.156 -2.849 1.00 0.00 C ATOM 918 C PRO A 63 16.115 -3.282 -3.971 1.00 0.00 C ATOM 919 O PRO A 63 16.326 -2.782 -5.077 1.00 0.00 O ATOM 920 CB PRO A 63 18.233 -4.216 -3.001 1.00 0.00 C ATOM 921 CG PRO A 63 17.792 -5.343 -2.133 1.00 0.00 C ATOM 922 CD PRO A 63 17.069 -4.715 -0.974 1.00 0.00 C ATOM 0 HA PRO A 63 17.507 -2.132 -2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.336 -4.533 -4.039 1.00 0.00 H new ATOM 0 HB3 PRO A 63 19.203 -3.831 -2.687 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.138 -6.023 -2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.645 -5.928 -1.790 1.00 0.00 H new ATOM 0 HD2 PRO A 63 16.258 -5.349 -0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.737 -4.542 -0.130 1.00 0.00 H new ATOM 930 N CYS A 64 15.005 -3.952 -3.681 1.00 0.00 N ATOM 931 CA CYS A 64 13.947 -4.144 -4.666 1.00 0.00 C ATOM 932 C CYS A 64 13.919 -2.991 -5.665 1.00 0.00 C ATOM 933 O CYS A 64 14.388 -3.124 -6.796 1.00 0.00 O ATOM 934 CB CYS A 64 12.590 -4.265 -3.971 1.00 0.00 C ATOM 935 SG CYS A 64 12.421 -5.743 -2.920 1.00 0.00 S ATOM 0 H CYS A 64 14.815 -4.372 -2.771 1.00 0.00 H new ATOM 0 HA CYS A 64 14.153 -5.067 -5.209 1.00 0.00 H new ATOM 0 HB2 CYS A 64 12.427 -3.377 -3.360 1.00 0.00 H new ATOM 0 HB3 CYS A 64 11.806 -4.279 -4.728 1.00 0.00 H new ATOM 940 N TYR A 65 13.365 -1.861 -5.240 1.00 0.00 N ATOM 941 CA TYR A 65 13.273 -0.685 -6.097 1.00 0.00 C ATOM 942 C TYR A 65 14.644 -0.301 -6.644 1.00 0.00 C ATOM 943 O TYR A 65 14.844 -0.230 -7.857 1.00 0.00 O ATOM 944 CB TYR A 65 12.673 0.490 -5.324 1.00 0.00 C ATOM 945 CG TYR A 65 12.275 1.653 -6.204 1.00 0.00 C ATOM 946 CD1 TYR A 65 11.091 1.628 -6.930 1.00 0.00 C ATOM 947 CD2 TYR A 65 13.082 2.780 -6.307 1.00 0.00 C ATOM 948 CE1 TYR A 65 10.724 2.688 -7.736 1.00 0.00 C ATOM 949 CE2 TYR A 65 12.723 3.845 -7.109 1.00 0.00 C ATOM 950 CZ TYR A 65 11.543 3.795 -7.822 1.00 0.00 C ATOM 951 OH TYR A 65 11.180 4.854 -8.622 1.00 0.00 O ATOM 0 H TYR A 65 12.973 -1.735 -4.307 1.00 0.00 H new ATOM 0 HA TYR A 65 12.622 -0.929 -6.937 1.00 0.00 H new ATOM 0 HB2 TYR A 65 11.797 0.144 -4.775 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.396 0.835 -4.585 1.00 0.00 H new ATOM 0 HD1 TYR A 65 10.446 0.764 -6.863 1.00 0.00 H new ATOM 0 HD2 TYR A 65 14.006 2.823 -5.750 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.801 2.650 -8.296 1.00 0.00 H new ATOM 0 HE2 TYR A 65 13.363 4.713 -7.178 1.00 0.00 H new ATOM 0 HH TYR A 65 11.865 5.553 -8.570 1.00 0.00 H new ATOM 961 N ALA A 66 15.587 -0.055 -5.740 1.00 0.00 N ATOM 962 CA ALA A 66 16.941 0.319 -6.131 1.00 0.00 C ATOM 963 C ALA A 66 17.375 -0.426 -7.388 1.00 0.00 C ATOM 964 O ALA A 66 17.601 0.181 -8.436 1.00 0.00 O ATOM 965 CB ALA A 66 17.912 0.048 -4.992 1.00 0.00 C ATOM 0 H ALA A 66 15.438 -0.108 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 66 16.947 1.386 -6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 66 18.919 0.332 -5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 66 17.620 0.631 -4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 66 17.894 -1.013 -4.743 1.00 0.00 H new ATOM 971 N THR A 67 17.491 -1.746 -7.278 1.00 0.00 N ATOM 972 CA THR A 67 17.901 -2.574 -8.406 1.00 0.00 C ATOM 973 C THR A 67 17.266 -2.088 -9.704 1.00 0.00 C ATOM 974 O THR A 67 17.947 -1.540 -10.573 1.00 0.00 O ATOM 975 CB THR A 67 17.523 -4.050 -8.184 1.00 0.00 C ATOM 976 OG1 THR A 67 18.021 -4.499 -6.919 1.00 0.00 O ATOM 977 CG2 THR A 67 18.085 -4.925 -9.295 1.00 0.00 C ATOM 0 H THR A 67 17.307 -2.265 -6.419 1.00 0.00 H new ATOM 0 HA THR A 67 18.985 -2.491 -8.482 1.00 0.00 H new ATOM 0 HB THR A 67 16.436 -4.129 -8.195 1.00 0.00 H new ATOM 0 HG1 THR A 67 17.456 -4.145 -6.201 1.00 0.00 H new ATOM 0 HG21 THR A 67 17.805 -5.963 -9.117 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.681 -4.600 -10.254 1.00 0.00 H new ATOM 0 HG23 THR A 67 19.172 -4.840 -9.311 1.00 0.00 H new ATOM 985 N LEU A 68 15.959 -2.290 -9.830 1.00 0.00 N ATOM 986 CA LEU A 68 15.232 -1.871 -11.023 1.00 0.00 C ATOM 987 C LEU A 68 15.661 -0.473 -11.460 1.00 0.00 C ATOM 988 O LEU A 68 15.721 -0.176 -12.653 1.00 0.00 O ATOM 989 CB LEU A 68 13.725 -1.895 -10.760 1.00 0.00 C ATOM 990 CG LEU A 68 13.115 -3.269 -10.479 1.00 0.00 C ATOM 991 CD1 LEU A 68 11.757 -3.123 -9.811 1.00 0.00 C ATOM 992 CD2 LEU A 68 12.996 -4.073 -11.765 1.00 0.00 C ATOM 0 H LEU A 68 15.381 -2.741 -9.121 1.00 0.00 H new ATOM 0 HA LEU A 68 15.466 -2.570 -11.826 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.514 -1.245 -9.911 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.219 -1.465 -11.624 1.00 0.00 H new ATOM 0 HG LEU A 68 13.776 -3.807 -9.799 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.338 -4.111 -9.619 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.871 -2.587 -8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.087 -2.566 -10.466 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.560 -5.048 -11.546 1.00 0.00 H new ATOM 0 HD22 LEU A 68 12.357 -3.540 -12.470 1.00 0.00 H new ATOM 0 HD23 LEU A 68 13.985 -4.208 -12.202 1.00 0.00 H new ATOM 1004 N PHE A 69 15.960 0.379 -10.485 1.00 0.00 N ATOM 1005 CA PHE A 69 16.385 1.745 -10.769 1.00 0.00 C ATOM 1006 C PHE A 69 17.776 2.011 -10.201 1.00 0.00 C ATOM 1007 O PHE A 69 17.918 2.486 -9.075 1.00 0.00 O ATOM 1008 CB PHE A 69 15.384 2.745 -10.186 1.00 0.00 C ATOM 1009 CG PHE A 69 14.055 2.739 -10.885 1.00 0.00 C ATOM 1010 CD1 PHE A 69 13.115 1.760 -10.607 1.00 0.00 C ATOM 1011 CD2 PHE A 69 13.745 3.713 -11.821 1.00 0.00 C ATOM 1012 CE1 PHE A 69 11.890 1.752 -11.249 1.00 0.00 C ATOM 1013 CE2 PHE A 69 12.522 3.710 -12.465 1.00 0.00 C ATOM 1014 CZ PHE A 69 11.595 2.728 -12.180 1.00 0.00 C ATOM 0 H PHE A 69 15.916 0.148 -9.492 1.00 0.00 H new ATOM 0 HA PHE A 69 16.424 1.869 -11.851 1.00 0.00 H new ATOM 0 HB2 PHE A 69 15.231 2.521 -9.130 1.00 0.00 H new ATOM 0 HB3 PHE A 69 15.810 3.747 -10.241 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.342 0.994 -9.880 1.00 0.00 H new ATOM 0 HD2 PHE A 69 14.467 4.483 -12.050 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.166 0.984 -11.023 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.292 4.476 -13.191 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.640 2.723 -12.685 1.00 0.00 H new ATOM 1024 N GLY A 70 18.800 1.700 -10.989 1.00 0.00 N ATOM 1025 CA GLY A 70 20.167 1.911 -10.548 1.00 0.00 C ATOM 1026 C GLY A 70 21.052 2.464 -11.648 1.00 0.00 C ATOM 1027 O GLY A 70 20.564 3.070 -12.601 1.00 0.00 O ATOM 0 H GLY A 70 18.708 1.306 -11.925 1.00 0.00 H new ATOM 0 HA2 GLY A 70 20.171 2.599 -9.703 1.00 0.00 H new ATOM 0 HA3 GLY A 70 20.581 0.967 -10.193 1.00 0.00 H new ATOM 1031 N SER A 71 22.358 2.256 -11.514 1.00 0.00 N ATOM 1032 CA SER A 71 23.314 2.743 -12.502 1.00 0.00 C ATOM 1033 C SER A 71 24.539 1.837 -12.565 1.00 0.00 C ATOM 1034 O SER A 71 24.748 0.994 -11.692 1.00 0.00 O ATOM 1035 CB SER A 71 23.741 4.174 -12.167 1.00 0.00 C ATOM 1036 OG SER A 71 22.712 5.098 -12.475 1.00 0.00 O ATOM 0 H SER A 71 22.778 1.754 -10.732 1.00 0.00 H new ATOM 0 HA SER A 71 22.827 2.735 -13.477 1.00 0.00 H new ATOM 0 HB2 SER A 71 23.992 4.244 -11.109 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.642 4.428 -12.726 1.00 0.00 H new ATOM 0 HG SER A 71 21.890 4.611 -12.694 1.00 0.00 H new ATOM 1042 N GLY A 72 25.348 2.016 -13.605 1.00 0.00 N ATOM 1043 CA GLY A 72 26.543 1.207 -13.764 1.00 0.00 C ATOM 1044 C GLY A 72 26.795 0.824 -15.209 1.00 0.00 C ATOM 1045 O GLY A 72 26.410 1.534 -16.138 1.00 0.00 O ATOM 0 H GLY A 72 25.197 2.707 -14.340 1.00 0.00 H new ATOM 0 HA2 GLY A 72 27.403 1.756 -13.381 1.00 0.00 H new ATOM 0 HA3 GLY A 72 26.449 0.303 -13.163 1.00 0.00 H new ATOM 1049 N PRO A 73 27.458 -0.324 -15.413 1.00 0.00 N ATOM 1050 CA PRO A 73 27.778 -0.825 -16.753 1.00 0.00 C ATOM 1051 C PRO A 73 26.538 -1.294 -17.507 1.00 0.00 C ATOM 1052 O PRO A 73 25.471 -1.470 -16.919 1.00 0.00 O ATOM 1053 CB PRO A 73 28.713 -2.005 -16.476 1.00 0.00 C ATOM 1054 CG PRO A 73 28.356 -2.458 -15.102 1.00 0.00 C ATOM 1055 CD PRO A 73 27.947 -1.220 -14.352 1.00 0.00 C ATOM 0 HA PRO A 73 28.219 -0.052 -17.383 1.00 0.00 H new ATOM 0 HB2 PRO A 73 28.570 -2.803 -17.205 1.00 0.00 H new ATOM 0 HB3 PRO A 73 29.759 -1.703 -16.534 1.00 0.00 H new ATOM 0 HG2 PRO A 73 27.544 -3.184 -15.129 1.00 0.00 H new ATOM 0 HG3 PRO A 73 29.203 -2.945 -14.619 1.00 0.00 H new ATOM 0 HD2 PRO A 73 27.171 -1.434 -13.617 1.00 0.00 H new ATOM 0 HD3 PRO A 73 28.786 -0.782 -13.811 1.00 0.00 H new ATOM 1063 N SER A 74 26.686 -1.494 -18.813 1.00 0.00 N ATOM 1064 CA SER A 74 25.577 -1.939 -19.649 1.00 0.00 C ATOM 1065 C SER A 74 24.839 -3.105 -18.997 1.00 0.00 C ATOM 1066 O SER A 74 23.609 -3.134 -18.963 1.00 0.00 O ATOM 1067 CB SER A 74 26.086 -2.352 -21.031 1.00 0.00 C ATOM 1068 OG SER A 74 26.652 -1.249 -21.717 1.00 0.00 O ATOM 0 H SER A 74 27.563 -1.355 -19.315 1.00 0.00 H new ATOM 0 HA SER A 74 24.881 -1.107 -19.760 1.00 0.00 H new ATOM 0 HB2 SER A 74 26.831 -3.141 -20.927 1.00 0.00 H new ATOM 0 HB3 SER A 74 25.264 -2.765 -21.616 1.00 0.00 H new ATOM 0 HG SER A 74 26.971 -1.540 -22.597 1.00 0.00 H new ATOM 1074 N SER A 75 25.600 -4.064 -18.480 1.00 0.00 N ATOM 1075 CA SER A 75 25.020 -5.234 -17.832 1.00 0.00 C ATOM 1076 C SER A 75 24.457 -4.873 -16.461 1.00 0.00 C ATOM 1077 O SER A 75 24.999 -4.020 -15.760 1.00 0.00 O ATOM 1078 CB SER A 75 26.070 -6.338 -17.690 1.00 0.00 C ATOM 1079 OG SER A 75 26.959 -6.061 -16.621 1.00 0.00 O ATOM 0 H SER A 75 26.620 -4.054 -18.497 1.00 0.00 H new ATOM 0 HA SER A 75 24.204 -5.597 -18.457 1.00 0.00 H new ATOM 0 HB2 SER A 75 25.576 -7.294 -17.518 1.00 0.00 H new ATOM 0 HB3 SER A 75 26.632 -6.432 -18.619 1.00 0.00 H new ATOM 0 HG SER A 75 27.619 -6.782 -16.550 1.00 0.00 H new ATOM 1085 N GLY A 76 23.363 -5.529 -16.086 1.00 0.00 N ATOM 1086 CA GLY A 76 22.743 -5.264 -14.801 1.00 0.00 C ATOM 1087 C GLY A 76 21.333 -4.723 -14.938 1.00 0.00 C ATOM 1088 O GLY A 76 20.510 -4.965 -14.056 1.00 0.00 O ATOM 0 H GLY A 76 22.895 -6.239 -16.649 1.00 0.00 H new ATOM 0 HA2 GLY A 76 22.721 -6.183 -14.215 1.00 0.00 H new ATOM 0 HA3 GLY A 76 23.351 -4.548 -14.248 1.00 0.00 H new TER 1092 GLY A 76 HETATM 1093 ZN ZN A 201 -5.954 -6.350 -8.169 1.00 0.00 ZN HETATM 1094 ZN ZN A 401 10.288 -6.343 -2.281 1.00 0.00 ZN