USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 473 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 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -28:sc= 0.0783 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.0024) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00675 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 61 SER OG : rot 180:sc= 0.00277 USER MOD Single : A 63 ASN : amide:sc= -0.87 K(o=-0.87,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.11) USER MOD Single : A 66 SER OG : rot 29:sc= 0.136 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.274 7.020 -19.180 1.00 0.00 N ATOM 2 CA GLY A 1 -1.570 5.897 -19.773 1.00 0.00 C ATOM 3 C GLY A 1 -2.123 4.561 -19.318 1.00 0.00 C ATOM 4 O GLY A 1 -1.371 3.682 -18.898 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.859 7.910 -19.522 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.278 6.981 -19.448 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.190 6.975 -18.144 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.636 5.963 -20.859 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.513 5.957 -19.514 1.00 0.00 H new ATOM 8 N SER A 2 -3.441 4.409 -19.401 1.00 0.00 N ATOM 9 CA SER A 2 -4.094 3.172 -18.989 1.00 0.00 C ATOM 10 C SER A 2 -4.128 2.167 -20.137 1.00 0.00 C ATOM 11 O SER A 2 -4.346 2.534 -21.292 1.00 0.00 O ATOM 12 CB SER A 2 -5.517 3.458 -18.505 1.00 0.00 C ATOM 13 OG SER A 2 -5.523 3.849 -17.143 1.00 0.00 O ATOM 0 H SER A 2 -4.077 5.126 -19.749 1.00 0.00 H new ATOM 0 HA SER A 2 -3.518 2.742 -18.169 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.961 4.245 -19.115 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.134 2.569 -18.634 1.00 0.00 H new ATOM 0 HG SER A 2 -6.443 4.028 -16.858 1.00 0.00 H new ATOM 19 N SER A 3 -3.911 0.897 -19.810 1.00 0.00 N ATOM 20 CA SER A 3 -3.913 -0.162 -20.813 1.00 0.00 C ATOM 21 C SER A 3 -4.443 -1.466 -20.225 1.00 0.00 C ATOM 22 O SER A 3 -4.419 -1.668 -19.012 1.00 0.00 O ATOM 23 CB SER A 3 -2.502 -0.373 -21.364 1.00 0.00 C ATOM 24 OG SER A 3 -1.622 -0.829 -20.351 1.00 0.00 O ATOM 0 H SER A 3 -3.732 0.576 -18.858 1.00 0.00 H new ATOM 0 HA SER A 3 -4.571 0.143 -21.627 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.531 -1.097 -22.178 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.128 0.562 -21.782 1.00 0.00 H new ATOM 0 HG SER A 3 -0.727 -0.958 -20.729 1.00 0.00 H new ATOM 30 N GLY A 4 -4.921 -2.350 -21.096 1.00 0.00 N ATOM 31 CA GLY A 4 -5.450 -3.623 -20.646 1.00 0.00 C ATOM 32 C GLY A 4 -6.807 -3.932 -21.246 1.00 0.00 C ATOM 33 O GLY A 4 -7.788 -3.242 -20.967 1.00 0.00 O ATOM 0 H GLY A 4 -4.951 -2.206 -22.105 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.751 -4.417 -20.909 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.530 -3.616 -19.559 1.00 0.00 H new ATOM 37 N SER A 5 -6.865 -4.970 -22.074 1.00 0.00 N ATOM 38 CA SER A 5 -8.111 -5.365 -22.719 1.00 0.00 C ATOM 39 C SER A 5 -9.010 -6.123 -21.747 1.00 0.00 C ATOM 40 O SER A 5 -9.517 -7.200 -22.063 1.00 0.00 O ATOM 41 CB SER A 5 -7.822 -6.232 -23.946 1.00 0.00 C ATOM 42 OG SER A 5 -7.006 -5.543 -24.877 1.00 0.00 O ATOM 0 H SER A 5 -6.063 -5.553 -22.314 1.00 0.00 H new ATOM 0 HA SER A 5 -8.630 -4.460 -23.036 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.328 -7.153 -23.636 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.760 -6.518 -24.422 1.00 0.00 H new ATOM 0 HG SER A 5 -6.835 -6.119 -25.651 1.00 0.00 H new ATOM 48 N SER A 6 -9.203 -5.553 -20.562 1.00 0.00 N ATOM 49 CA SER A 6 -10.037 -6.176 -19.541 1.00 0.00 C ATOM 50 C SER A 6 -11.110 -5.207 -19.051 1.00 0.00 C ATOM 51 O SER A 6 -11.017 -4.000 -19.267 1.00 0.00 O ATOM 52 CB SER A 6 -9.178 -6.641 -18.364 1.00 0.00 C ATOM 53 OG SER A 6 -9.807 -7.697 -17.659 1.00 0.00 O ATOM 0 H SER A 6 -8.793 -4.661 -20.285 1.00 0.00 H new ATOM 0 HA SER A 6 -10.528 -7.041 -19.986 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.205 -6.971 -18.728 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.998 -5.805 -17.688 1.00 0.00 H new ATOM 0 HG SER A 6 -9.237 -7.977 -16.913 1.00 0.00 H new ATOM 59 N GLY A 7 -12.128 -5.748 -18.389 1.00 0.00 N ATOM 60 CA GLY A 7 -13.204 -4.919 -17.878 1.00 0.00 C ATOM 61 C GLY A 7 -12.883 -4.322 -16.522 1.00 0.00 C ATOM 62 O GLY A 7 -12.774 -5.042 -15.531 1.00 0.00 O ATOM 0 H GLY A 7 -12.227 -6.745 -18.197 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.407 -4.116 -18.586 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.113 -5.515 -17.803 1.00 0.00 H new ATOM 66 N GLU A 8 -12.730 -3.002 -16.480 1.00 0.00 N ATOM 67 CA GLU A 8 -12.417 -2.310 -15.235 1.00 0.00 C ATOM 68 C GLU A 8 -13.592 -2.377 -14.264 1.00 0.00 C ATOM 69 O GLU A 8 -14.311 -1.395 -14.075 1.00 0.00 O ATOM 70 CB GLU A 8 -12.054 -0.850 -15.514 1.00 0.00 C ATOM 71 CG GLU A 8 -10.580 -0.636 -15.816 1.00 0.00 C ATOM 72 CD GLU A 8 -10.194 -1.109 -17.204 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.106 -1.341 -18.026 1.00 0.00 O ATOM 74 OE2 GLU A 8 -8.982 -1.246 -17.469 1.00 0.00 O ATOM 0 H GLU A 8 -12.818 -2.391 -17.292 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.562 -2.808 -14.778 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.645 -0.492 -16.357 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.331 -0.244 -14.651 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.343 0.423 -15.718 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.981 -1.166 -15.076 1.00 0.00 H new ATOM 81 N ILE A 9 -13.782 -3.541 -13.653 1.00 0.00 N ATOM 82 CA ILE A 9 -14.869 -3.736 -12.702 1.00 0.00 C ATOM 83 C ILE A 9 -14.332 -3.998 -11.299 1.00 0.00 C ATOM 84 O ILE A 9 -13.563 -4.934 -11.083 1.00 0.00 O ATOM 85 CB ILE A 9 -15.778 -4.908 -13.119 1.00 0.00 C ATOM 86 CG1 ILE A 9 -16.619 -4.522 -14.337 1.00 0.00 C ATOM 87 CG2 ILE A 9 -16.673 -5.322 -11.960 1.00 0.00 C ATOM 88 CD1 ILE A 9 -17.630 -5.575 -14.732 1.00 0.00 C ATOM 0 H ILE A 9 -13.197 -4.364 -13.800 1.00 0.00 H new ATOM 0 HA ILE A 9 -15.454 -2.816 -12.698 1.00 0.00 H new ATOM 0 HB ILE A 9 -15.150 -5.757 -13.389 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -17.142 -3.589 -14.126 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.956 -4.332 -15.181 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -17.309 -6.151 -12.270 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -16.056 -5.634 -11.117 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -17.296 -4.478 -11.662 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -18.190 -5.233 -15.603 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.113 -6.503 -14.975 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.317 -5.748 -13.904 1.00 0.00 H new ATOM 100 N GLU A 10 -14.745 -3.165 -10.349 1.00 0.00 N ATOM 101 CA GLU A 10 -14.306 -3.307 -8.965 1.00 0.00 C ATOM 102 C GLU A 10 -15.502 -3.404 -8.022 1.00 0.00 C ATOM 103 O GLU A 10 -16.596 -2.938 -8.338 1.00 0.00 O ATOM 104 CB GLU A 10 -13.421 -2.126 -8.564 1.00 0.00 C ATOM 105 CG GLU A 10 -14.158 -0.798 -8.525 1.00 0.00 C ATOM 106 CD GLU A 10 -14.289 -0.162 -9.895 1.00 0.00 C ATOM 107 OE1 GLU A 10 -13.365 -0.331 -10.719 1.00 0.00 O ATOM 108 OE2 GLU A 10 -15.315 0.504 -10.144 1.00 0.00 O ATOM 0 H GLU A 10 -15.382 -2.385 -10.512 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.728 -4.228 -8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.991 -2.322 -7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.591 -2.050 -9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.151 -0.951 -8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.631 -0.114 -7.860 1.00 0.00 H new ATOM 115 N LYS A 11 -15.284 -4.015 -6.862 1.00 0.00 N ATOM 116 CA LYS A 11 -16.342 -4.174 -5.871 1.00 0.00 C ATOM 117 C LYS A 11 -16.478 -2.919 -5.014 1.00 0.00 C ATOM 118 O LYS A 11 -17.579 -2.407 -4.817 1.00 0.00 O ATOM 119 CB LYS A 11 -16.055 -5.384 -4.979 1.00 0.00 C ATOM 120 CG LYS A 11 -16.574 -6.694 -5.547 1.00 0.00 C ATOM 121 CD LYS A 11 -15.601 -7.293 -6.548 1.00 0.00 C ATOM 122 CE LYS A 11 -14.245 -7.565 -5.914 1.00 0.00 C ATOM 123 NZ LYS A 11 -13.547 -8.708 -6.566 1.00 0.00 N ATOM 0 H LYS A 11 -14.384 -4.408 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.281 -4.335 -6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.979 -5.465 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.505 -5.218 -4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.744 -7.401 -4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.537 -6.526 -6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.011 -8.222 -6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.480 -6.613 -7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.625 -6.672 -5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.376 -7.777 -4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.627 -8.861 -6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.127 -9.566 -6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.399 -8.495 -7.573 1.00 0.00 H new ATOM 137 N GLY A 12 -15.351 -2.428 -4.509 1.00 0.00 N ATOM 138 CA GLY A 12 -15.367 -1.236 -3.680 1.00 0.00 C ATOM 139 C GLY A 12 -13.981 -0.835 -3.215 1.00 0.00 C ATOM 140 O GLY A 12 -13.368 -1.523 -2.400 1.00 0.00 O ATOM 0 H GLY A 12 -14.427 -2.834 -4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.811 -0.413 -4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.002 -1.410 -2.811 1.00 0.00 H new ATOM 144 N GLY A 13 -13.484 0.283 -3.736 1.00 0.00 N ATOM 145 CA GLY A 13 -12.164 0.754 -3.359 1.00 0.00 C ATOM 146 C GLY A 13 -11.432 1.411 -4.512 1.00 0.00 C ATOM 147 O GLY A 13 -12.046 1.805 -5.504 1.00 0.00 O ATOM 0 H GLY A 13 -13.972 0.871 -4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.256 1.466 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.574 -0.085 -2.989 1.00 0.00 H new ATOM 151 N CYS A 14 -10.115 1.532 -4.383 1.00 0.00 N ATOM 152 CA CYS A 14 -9.297 2.148 -5.421 1.00 0.00 C ATOM 153 C CYS A 14 -8.850 1.111 -6.448 1.00 0.00 C ATOM 154 O CYS A 14 -7.729 1.164 -6.951 1.00 0.00 O ATOM 155 CB CYS A 14 -8.074 2.827 -4.800 1.00 0.00 C ATOM 156 SG CYS A 14 -8.465 4.321 -3.833 1.00 0.00 S ATOM 0 H CYS A 14 -9.591 1.211 -3.569 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.903 2.899 -5.928 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.564 2.112 -4.154 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.377 3.093 -5.594 1.00 0.00 H new ATOM 161 N GLY A 15 -9.737 0.169 -6.754 1.00 0.00 N ATOM 162 CA GLY A 15 -9.416 -0.866 -7.719 1.00 0.00 C ATOM 163 C GLY A 15 -8.194 -1.670 -7.322 1.00 0.00 C ATOM 164 O GLY A 15 -8.267 -2.533 -6.446 1.00 0.00 O ATOM 0 H GLY A 15 -10.672 0.104 -6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.269 -1.536 -7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.246 -0.409 -8.694 1.00 0.00 H new ATOM 168 N ASP A 16 -7.067 -1.389 -7.967 1.00 0.00 N ATOM 169 CA ASP A 16 -5.823 -2.093 -7.677 1.00 0.00 C ATOM 170 C ASP A 16 -4.621 -1.175 -7.871 1.00 0.00 C ATOM 171 O ASP A 16 -4.595 -0.326 -8.763 1.00 0.00 O ATOM 172 CB ASP A 16 -5.689 -3.326 -8.573 1.00 0.00 C ATOM 173 CG ASP A 16 -5.647 -2.969 -10.046 1.00 0.00 C ATOM 174 OD1 ASP A 16 -4.589 -2.495 -10.511 1.00 0.00 O ATOM 175 OD2 ASP A 16 -6.671 -3.164 -10.734 1.00 0.00 O ATOM 0 H ASP A 16 -6.989 -0.678 -8.694 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.849 -2.412 -6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.781 -3.868 -8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.527 -3.998 -8.389 1.00 0.00 H new ATOM 180 N PRO A 17 -3.601 -1.346 -7.018 1.00 0.00 N ATOM 181 CA PRO A 17 -2.377 -0.542 -7.075 1.00 0.00 C ATOM 182 C PRO A 17 -1.531 -0.860 -8.303 1.00 0.00 C ATOM 183 O PRO A 17 -1.122 0.039 -9.037 1.00 0.00 O ATOM 184 CB PRO A 17 -1.633 -0.936 -5.796 1.00 0.00 C ATOM 185 CG PRO A 17 -2.131 -2.303 -5.474 1.00 0.00 C ATOM 186 CD PRO A 17 -3.564 -2.339 -5.931 1.00 0.00 C ATOM 0 HA PRO A 17 -2.593 0.524 -7.147 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.554 -0.934 -5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.842 -0.238 -4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.540 -3.064 -5.983 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.057 -2.504 -4.405 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.849 -3.331 -6.283 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.250 -2.078 -5.125 1.00 0.00 H new ATOM 194 N GLY A 18 -1.272 -2.146 -8.521 1.00 0.00 N ATOM 195 CA GLY A 18 -0.476 -2.559 -9.661 1.00 0.00 C ATOM 196 C GLY A 18 0.829 -3.213 -9.251 1.00 0.00 C ATOM 197 O GLY A 18 1.699 -2.564 -8.669 1.00 0.00 O ATOM 0 H GLY A 18 -1.600 -2.909 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.053 -3.256 -10.269 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.263 -1.691 -10.285 1.00 0.00 H new ATOM 201 N ILE A 19 0.965 -4.499 -9.554 1.00 0.00 N ATOM 202 CA ILE A 19 2.174 -5.240 -9.213 1.00 0.00 C ATOM 203 C ILE A 19 3.261 -5.032 -10.261 1.00 0.00 C ATOM 204 O ILE A 19 3.003 -5.022 -11.465 1.00 0.00 O ATOM 205 CB ILE A 19 1.890 -6.747 -9.076 1.00 0.00 C ATOM 206 CG1 ILE A 19 0.867 -6.998 -7.966 1.00 0.00 C ATOM 207 CG2 ILE A 19 3.179 -7.506 -8.797 1.00 0.00 C ATOM 208 CD1 ILE A 19 0.337 -8.414 -7.940 1.00 0.00 C ATOM 0 H ILE A 19 0.254 -5.050 -10.035 1.00 0.00 H new ATOM 0 HA ILE A 19 2.520 -4.855 -8.254 1.00 0.00 H new ATOM 0 HB ILE A 19 1.474 -7.109 -10.016 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.326 -6.773 -7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.032 -6.309 -8.090 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.962 -8.570 -8.703 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.878 -7.350 -9.618 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.622 -7.143 -7.870 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.383 -8.518 -7.128 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.151 -8.637 -8.889 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.162 -9.109 -7.784 1.00 0.00 H new ATOM 220 N PRO A 20 4.507 -4.863 -9.795 1.00 0.00 N ATOM 221 CA PRO A 20 5.660 -4.654 -10.677 1.00 0.00 C ATOM 222 C PRO A 20 6.020 -5.908 -11.467 1.00 0.00 C ATOM 223 O PRO A 20 5.380 -6.949 -11.323 1.00 0.00 O ATOM 224 CB PRO A 20 6.787 -4.292 -9.706 1.00 0.00 C ATOM 225 CG PRO A 20 6.390 -4.916 -8.414 1.00 0.00 C ATOM 226 CD PRO A 20 4.887 -4.863 -8.373 1.00 0.00 C ATOM 0 HA PRO A 20 5.465 -3.890 -11.430 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.746 -4.676 -10.053 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.893 -3.212 -9.608 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.746 -5.944 -8.352 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.823 -4.377 -7.571 1.00 0.00 H new ATOM 0 HD2 PRO A 20 4.469 -5.720 -7.845 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.530 -3.969 -7.862 1.00 0.00 H new ATOM 234 N ALA A 21 7.049 -5.800 -12.301 1.00 0.00 N ATOM 235 CA ALA A 21 7.495 -6.926 -13.112 1.00 0.00 C ATOM 236 C ALA A 21 8.563 -7.737 -12.385 1.00 0.00 C ATOM 237 O ALA A 21 9.317 -8.486 -13.006 1.00 0.00 O ATOM 238 CB ALA A 21 8.024 -6.435 -14.452 1.00 0.00 C ATOM 0 H ALA A 21 7.589 -4.945 -12.433 1.00 0.00 H new ATOM 0 HA ALA A 21 6.638 -7.577 -13.288 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.354 -7.287 -15.047 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.233 -5.905 -14.983 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.865 -5.761 -14.286 1.00 0.00 H new ATOM 244 N TYR A 22 8.621 -7.583 -11.067 1.00 0.00 N ATOM 245 CA TYR A 22 9.598 -8.299 -10.256 1.00 0.00 C ATOM 246 C TYR A 22 9.367 -8.041 -8.770 1.00 0.00 C ATOM 247 O TYR A 22 9.642 -6.953 -8.267 1.00 0.00 O ATOM 248 CB TYR A 22 11.018 -7.880 -10.643 1.00 0.00 C ATOM 249 CG TYR A 22 11.127 -6.435 -11.072 1.00 0.00 C ATOM 250 CD1 TYR A 22 11.238 -5.417 -10.133 1.00 0.00 C ATOM 251 CD2 TYR A 22 11.120 -6.087 -12.417 1.00 0.00 C ATOM 252 CE1 TYR A 22 11.338 -4.095 -10.520 1.00 0.00 C ATOM 253 CE2 TYR A 22 11.220 -4.767 -12.814 1.00 0.00 C ATOM 254 CZ TYR A 22 11.328 -3.775 -11.862 1.00 0.00 C ATOM 255 OH TYR A 22 11.428 -2.459 -12.252 1.00 0.00 O ATOM 0 H TYR A 22 8.003 -6.968 -10.537 1.00 0.00 H new ATOM 0 HA TYR A 22 9.477 -9.366 -10.444 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.682 -8.050 -9.795 1.00 0.00 H new ATOM 0 HB3 TYR A 22 11.368 -8.518 -11.454 1.00 0.00 H new ATOM 0 HD1 TYR A 22 11.246 -5.664 -9.082 1.00 0.00 H new ATOM 0 HD2 TYR A 22 11.035 -6.861 -13.165 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.424 -3.316 -9.777 1.00 0.00 H new ATOM 0 HE2 TYR A 22 11.214 -4.514 -13.864 1.00 0.00 H new ATOM 0 HH TYR A 22 11.407 -2.405 -13.230 1.00 0.00 H new ATOM 265 N GLY A 23 8.858 -9.053 -8.073 1.00 0.00 N ATOM 266 CA GLY A 23 8.598 -8.918 -6.652 1.00 0.00 C ATOM 267 C GLY A 23 7.285 -9.553 -6.240 1.00 0.00 C ATOM 268 O GLY A 23 6.638 -10.233 -7.037 1.00 0.00 O ATOM 0 H GLY A 23 8.621 -9.963 -8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.412 -9.378 -6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.586 -7.861 -6.387 1.00 0.00 H new ATOM 272 N LYS A 24 6.890 -9.334 -4.990 1.00 0.00 N ATOM 273 CA LYS A 24 5.646 -9.890 -4.472 1.00 0.00 C ATOM 274 C LYS A 24 4.800 -8.807 -3.810 1.00 0.00 C ATOM 275 O LYS A 24 5.319 -7.777 -3.381 1.00 0.00 O ATOM 276 CB LYS A 24 5.942 -11.006 -3.467 1.00 0.00 C ATOM 277 CG LYS A 24 4.785 -11.301 -2.527 1.00 0.00 C ATOM 278 CD LYS A 24 5.075 -12.505 -1.647 1.00 0.00 C ATOM 279 CE LYS A 24 3.876 -12.865 -0.783 1.00 0.00 C ATOM 280 NZ LYS A 24 2.879 -13.680 -1.531 1.00 0.00 N ATOM 0 H LYS A 24 7.414 -8.775 -4.317 1.00 0.00 H new ATOM 0 HA LYS A 24 5.085 -10.303 -5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.198 -11.915 -4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.817 -10.730 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.592 -10.430 -1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.881 -11.483 -3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.344 -13.357 -2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.934 -12.293 -1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.213 -13.418 0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.402 -11.953 -0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.077 -13.905 -0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.538 -13.143 -2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.324 -14.562 -1.854 1.00 0.00 H new ATOM 294 N ARG A 25 3.495 -9.049 -3.729 1.00 0.00 N ATOM 295 CA ARG A 25 2.578 -8.094 -3.119 1.00 0.00 C ATOM 296 C ARG A 25 1.710 -8.772 -2.064 1.00 0.00 C ATOM 297 O ARG A 25 0.936 -9.680 -2.370 1.00 0.00 O ATOM 298 CB ARG A 25 1.692 -7.451 -4.188 1.00 0.00 C ATOM 299 CG ARG A 25 0.819 -6.325 -3.659 1.00 0.00 C ATOM 300 CD ARG A 25 -0.391 -6.093 -4.549 1.00 0.00 C ATOM 301 NE ARG A 25 -1.193 -7.303 -4.709 1.00 0.00 N ATOM 302 CZ ARG A 25 -2.244 -7.387 -5.517 1.00 0.00 C ATOM 303 NH1 ARG A 25 -2.617 -6.337 -6.237 1.00 0.00 N ATOM 304 NH2 ARG A 25 -2.924 -8.523 -5.608 1.00 0.00 N ATOM 0 H ARG A 25 3.050 -9.898 -4.078 1.00 0.00 H new ATOM 0 HA ARG A 25 3.170 -7.319 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.324 -7.064 -4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.054 -8.217 -4.628 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.488 -6.564 -2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.405 -5.408 -3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.009 -5.303 -4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.060 -5.746 -5.528 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.932 -8.129 -4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.096 -5.462 -6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.424 -6.404 -6.857 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.640 -9.333 -5.057 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.731 -8.586 -6.229 1.00 0.00 H new ATOM 318 N THR A 26 1.844 -8.326 -0.818 1.00 0.00 N ATOM 319 CA THR A 26 1.074 -8.890 0.283 1.00 0.00 C ATOM 320 C THR A 26 -0.277 -8.199 0.420 1.00 0.00 C ATOM 321 O THR A 26 -0.351 -7.025 0.781 1.00 0.00 O ATOM 322 CB THR A 26 1.835 -8.775 1.617 1.00 0.00 C ATOM 323 OG1 THR A 26 3.001 -9.606 1.590 1.00 0.00 O ATOM 324 CG2 THR A 26 0.945 -9.178 2.784 1.00 0.00 C ATOM 0 H THR A 26 2.479 -7.575 -0.547 1.00 0.00 H new ATOM 0 HA THR A 26 0.918 -9.944 0.052 1.00 0.00 H new ATOM 0 HB THR A 26 2.134 -7.735 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.480 -9.526 2.441 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.504 -9.089 3.716 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.074 -8.524 2.820 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.619 -10.210 2.654 1.00 0.00 H new ATOM 332 N GLY A 27 -1.346 -8.935 0.129 1.00 0.00 N ATOM 333 CA GLY A 27 -2.681 -8.375 0.226 1.00 0.00 C ATOM 334 C GLY A 27 -3.361 -8.259 -1.123 1.00 0.00 C ATOM 335 O GLY A 27 -2.728 -7.899 -2.116 1.00 0.00 O ATOM 0 H GLY A 27 -1.311 -9.909 -0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.287 -9.000 0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.625 -7.389 0.687 1.00 0.00 H new ATOM 339 N SER A 28 -4.654 -8.564 -1.161 1.00 0.00 N ATOM 340 CA SER A 28 -5.419 -8.497 -2.401 1.00 0.00 C ATOM 341 C SER A 28 -6.643 -7.602 -2.236 1.00 0.00 C ATOM 342 O SER A 28 -7.293 -7.233 -3.214 1.00 0.00 O ATOM 343 CB SER A 28 -5.853 -9.899 -2.833 1.00 0.00 C ATOM 344 OG SER A 28 -6.346 -9.893 -4.162 1.00 0.00 O ATOM 0 H SER A 28 -5.194 -8.860 -0.348 1.00 0.00 H new ATOM 0 HA SER A 28 -4.778 -8.069 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.008 -10.584 -2.758 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.624 -10.269 -2.157 1.00 0.00 H new ATOM 0 HG SER A 28 -6.721 -9.011 -4.368 1.00 0.00 H new ATOM 350 N SER A 29 -6.952 -7.256 -0.990 1.00 0.00 N ATOM 351 CA SER A 29 -8.100 -6.407 -0.695 1.00 0.00 C ATOM 352 C SER A 29 -7.712 -4.932 -0.741 1.00 0.00 C ATOM 353 O SER A 29 -6.682 -4.532 -0.197 1.00 0.00 O ATOM 354 CB SER A 29 -8.676 -6.751 0.680 1.00 0.00 C ATOM 355 OG SER A 29 -9.971 -6.200 0.844 1.00 0.00 O ATOM 0 H SER A 29 -6.423 -7.551 -0.169 1.00 0.00 H new ATOM 0 HA SER A 29 -8.859 -6.589 -1.456 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.721 -7.834 0.798 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.015 -6.372 1.460 1.00 0.00 H new ATOM 0 HG SER A 29 -10.317 -6.436 1.730 1.00 0.00 H new ATOM 361 N PHE A 30 -8.543 -4.128 -1.396 1.00 0.00 N ATOM 362 CA PHE A 30 -8.287 -2.698 -1.515 1.00 0.00 C ATOM 363 C PHE A 30 -9.528 -1.891 -1.145 1.00 0.00 C ATOM 364 O PHE A 30 -10.496 -1.834 -1.905 1.00 0.00 O ATOM 365 CB PHE A 30 -7.848 -2.354 -2.940 1.00 0.00 C ATOM 366 CG PHE A 30 -7.094 -3.462 -3.619 1.00 0.00 C ATOM 367 CD1 PHE A 30 -5.761 -3.693 -3.322 1.00 0.00 C ATOM 368 CD2 PHE A 30 -7.719 -4.271 -4.553 1.00 0.00 C ATOM 369 CE1 PHE A 30 -5.065 -4.712 -3.946 1.00 0.00 C ATOM 370 CE2 PHE A 30 -7.029 -5.292 -5.180 1.00 0.00 C ATOM 371 CZ PHE A 30 -5.700 -5.512 -4.875 1.00 0.00 C ATOM 0 H PHE A 30 -9.399 -4.443 -1.852 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.486 -2.439 -0.823 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.729 -2.108 -3.533 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.222 -1.462 -2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.260 -3.071 -2.595 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.758 -4.102 -4.795 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.026 -4.882 -3.707 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.528 -5.916 -5.907 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.158 -6.309 -5.363 1.00 0.00 H new ATOM 381 N LEU A 31 -9.493 -1.268 0.028 1.00 0.00 N ATOM 382 CA LEU A 31 -10.615 -0.464 0.501 1.00 0.00 C ATOM 383 C LEU A 31 -10.220 1.005 0.620 1.00 0.00 C ATOM 384 O LEU A 31 -9.049 1.357 0.474 1.00 0.00 O ATOM 385 CB LEU A 31 -11.105 -0.983 1.854 1.00 0.00 C ATOM 386 CG LEU A 31 -12.086 -2.155 1.808 1.00 0.00 C ATOM 387 CD1 LEU A 31 -12.346 -2.689 3.208 1.00 0.00 C ATOM 388 CD2 LEU A 31 -13.390 -1.734 1.145 1.00 0.00 C ATOM 0 H LEU A 31 -8.700 -1.304 0.669 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.422 -0.547 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.237 -1.284 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.579 -0.159 2.387 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.641 -2.953 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.046 -3.523 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.409 -3.030 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.770 -1.898 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.076 -2.581 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.840 -0.919 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.189 -1.401 0.127 1.00 0.00 H new ATOM 400 N HIS A 32 -11.204 1.857 0.888 1.00 0.00 N ATOM 401 CA HIS A 32 -10.959 3.288 1.029 1.00 0.00 C ATOM 402 C HIS A 32 -10.148 3.578 2.289 1.00 0.00 C ATOM 403 O HIS A 32 -10.704 3.919 3.332 1.00 0.00 O ATOM 404 CB HIS A 32 -12.283 4.052 1.074 1.00 0.00 C ATOM 405 CG HIS A 32 -13.070 3.960 -0.197 1.00 0.00 C ATOM 406 ND1 HIS A 32 -14.445 3.860 -0.225 1.00 0.00 N ATOM 407 CD2 HIS A 32 -12.668 3.956 -1.489 1.00 0.00 C ATOM 408 CE1 HIS A 32 -14.854 3.796 -1.479 1.00 0.00 C ATOM 409 NE2 HIS A 32 -13.795 3.853 -2.267 1.00 0.00 N ATOM 0 H HIS A 32 -12.178 1.582 1.012 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.386 3.621 0.164 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.888 3.667 1.895 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.081 5.101 1.292 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.650 4.022 -1.843 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -15.880 3.711 -1.805 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -13.812 3.825 -3.286 1.00 0.00 H new ATOM 417 N GLY A 33 -8.830 3.440 2.183 1.00 0.00 N ATOM 418 CA GLY A 33 -7.964 3.691 3.321 1.00 0.00 C ATOM 419 C GLY A 33 -7.101 2.494 3.667 1.00 0.00 C ATOM 420 O GLY A 33 -6.342 2.527 4.636 1.00 0.00 O ATOM 0 H GLY A 33 -8.346 3.159 1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.324 4.546 3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.573 3.958 4.185 1.00 0.00 H new ATOM 424 N ASP A 34 -7.216 1.434 2.874 1.00 0.00 N ATOM 425 CA ASP A 34 -6.439 0.221 3.101 1.00 0.00 C ATOM 426 C ASP A 34 -4.961 0.460 2.812 1.00 0.00 C ATOM 427 O ASP A 34 -4.608 1.246 1.932 1.00 0.00 O ATOM 428 CB ASP A 34 -6.966 -0.918 2.227 1.00 0.00 C ATOM 429 CG ASP A 34 -6.135 -2.179 2.357 1.00 0.00 C ATOM 430 OD1 ASP A 34 -6.323 -2.913 3.350 1.00 0.00 O ATOM 431 OD2 ASP A 34 -5.296 -2.433 1.467 1.00 0.00 O ATOM 0 H ASP A 34 -7.840 1.390 2.068 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.544 -0.058 4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.998 -1.136 2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.975 -0.598 1.185 1.00 0.00 H new ATOM 436 N THR A 35 -4.099 -0.224 3.559 1.00 0.00 N ATOM 437 CA THR A 35 -2.659 -0.085 3.384 1.00 0.00 C ATOM 438 C THR A 35 -2.020 -1.415 3.004 1.00 0.00 C ATOM 439 O THR A 35 -2.329 -2.454 3.589 1.00 0.00 O ATOM 440 CB THR A 35 -1.987 0.447 4.665 1.00 0.00 C ATOM 441 OG1 THR A 35 -2.670 -0.052 5.820 1.00 0.00 O ATOM 442 CG2 THR A 35 -1.989 1.968 4.685 1.00 0.00 C ATOM 0 H THR A 35 -4.374 -0.879 4.291 1.00 0.00 H new ATOM 0 HA THR A 35 -2.506 0.632 2.577 1.00 0.00 H new ATOM 0 HB THR A 35 -0.953 0.101 4.678 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.236 0.289 6.630 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.510 2.320 5.598 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.443 2.344 3.820 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.016 2.331 4.651 1.00 0.00 H new ATOM 450 N LEU A 36 -1.128 -1.378 2.020 1.00 0.00 N ATOM 451 CA LEU A 36 -0.444 -2.582 1.562 1.00 0.00 C ATOM 452 C LEU A 36 1.023 -2.568 1.980 1.00 0.00 C ATOM 453 O LEU A 36 1.518 -1.576 2.515 1.00 0.00 O ATOM 454 CB LEU A 36 -0.551 -2.705 0.041 1.00 0.00 C ATOM 455 CG LEU A 36 -1.968 -2.785 -0.528 1.00 0.00 C ATOM 456 CD1 LEU A 36 -1.976 -2.398 -1.999 1.00 0.00 C ATOM 457 CD2 LEU A 36 -2.541 -4.182 -0.339 1.00 0.00 C ATOM 0 H LEU A 36 -0.862 -0.527 1.524 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.926 -3.443 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.048 -1.849 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.005 -3.595 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.597 -2.080 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.993 -2.461 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.608 -1.378 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.332 -3.078 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.550 -4.220 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.911 -4.906 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.573 -4.421 0.724 1.00 0.00 H new ATOM 469 N THR A 37 1.715 -3.676 1.731 1.00 0.00 N ATOM 470 CA THR A 37 3.125 -3.791 2.080 1.00 0.00 C ATOM 471 C THR A 37 3.883 -4.614 1.044 1.00 0.00 C ATOM 472 O THR A 37 3.523 -5.757 0.761 1.00 0.00 O ATOM 473 CB THR A 37 3.309 -4.436 3.467 1.00 0.00 C ATOM 474 OG1 THR A 37 2.429 -3.822 4.414 1.00 0.00 O ATOM 475 CG2 THR A 37 4.748 -4.299 3.940 1.00 0.00 C ATOM 0 H THR A 37 1.321 -4.506 1.289 1.00 0.00 H new ATOM 0 HA THR A 37 3.529 -2.779 2.101 1.00 0.00 H new ATOM 0 HB THR A 37 3.070 -5.496 3.385 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.551 -4.239 5.292 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.854 -4.762 4.921 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.412 -4.794 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.010 -3.243 4.006 1.00 0.00 H new ATOM 483 N PHE A 38 4.933 -4.026 0.482 1.00 0.00 N ATOM 484 CA PHE A 38 5.742 -4.705 -0.523 1.00 0.00 C ATOM 485 C PHE A 38 7.119 -5.057 0.033 1.00 0.00 C ATOM 486 O PHE A 38 7.536 -4.529 1.063 1.00 0.00 O ATOM 487 CB PHE A 38 5.891 -3.827 -1.767 1.00 0.00 C ATOM 488 CG PHE A 38 4.582 -3.485 -2.420 1.00 0.00 C ATOM 489 CD1 PHE A 38 3.683 -2.636 -1.796 1.00 0.00 C ATOM 490 CD2 PHE A 38 4.252 -4.012 -3.658 1.00 0.00 C ATOM 491 CE1 PHE A 38 2.478 -2.321 -2.395 1.00 0.00 C ATOM 492 CE2 PHE A 38 3.048 -3.700 -4.262 1.00 0.00 C ATOM 493 CZ PHE A 38 2.160 -2.852 -3.629 1.00 0.00 C ATOM 0 H PHE A 38 5.244 -3.081 0.705 1.00 0.00 H new ATOM 0 HA PHE A 38 5.234 -5.629 -0.798 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.402 -2.905 -1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.525 -4.340 -2.490 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.926 -2.216 -0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.943 -4.674 -4.157 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.785 -1.659 -1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.802 -4.118 -5.227 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.219 -2.605 -4.098 1.00 0.00 H new ATOM 503 N GLU A 39 7.818 -5.953 -0.657 1.00 0.00 N ATOM 504 CA GLU A 39 9.147 -6.377 -0.231 1.00 0.00 C ATOM 505 C GLU A 39 9.910 -7.017 -1.386 1.00 0.00 C ATOM 506 O GLU A 39 9.314 -7.471 -2.364 1.00 0.00 O ATOM 507 CB GLU A 39 9.043 -7.362 0.935 1.00 0.00 C ATOM 508 CG GLU A 39 8.439 -6.757 2.191 1.00 0.00 C ATOM 509 CD GLU A 39 8.682 -7.608 3.423 1.00 0.00 C ATOM 510 OE1 GLU A 39 9.841 -7.662 3.886 1.00 0.00 O ATOM 511 OE2 GLU A 39 7.715 -8.219 3.923 1.00 0.00 O ATOM 0 H GLU A 39 7.487 -6.399 -1.512 1.00 0.00 H new ATOM 0 HA GLU A 39 9.694 -5.493 0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.439 -8.215 0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.037 -7.743 1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.860 -5.764 2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.366 -6.629 2.048 1.00 0.00 H new ATOM 518 N CYS A 40 11.233 -7.051 -1.267 1.00 0.00 N ATOM 519 CA CYS A 40 12.080 -7.634 -2.301 1.00 0.00 C ATOM 520 C CYS A 40 13.076 -8.619 -1.696 1.00 0.00 C ATOM 521 O CYS A 40 13.443 -8.528 -0.524 1.00 0.00 O ATOM 522 CB CYS A 40 12.828 -6.535 -3.057 1.00 0.00 C ATOM 523 SG CYS A 40 11.921 -4.959 -3.167 1.00 0.00 S ATOM 0 H CYS A 40 11.742 -6.681 -0.464 1.00 0.00 H new ATOM 0 HA CYS A 40 11.440 -8.174 -2.999 1.00 0.00 H new ATOM 0 HB2 CYS A 40 13.785 -6.358 -2.566 1.00 0.00 H new ATOM 0 HB3 CYS A 40 13.047 -6.887 -4.065 1.00 0.00 H new ATOM 528 N PRO A 41 13.525 -9.583 -2.513 1.00 0.00 N ATOM 529 CA PRO A 41 14.486 -10.603 -2.081 1.00 0.00 C ATOM 530 C PRO A 41 15.876 -10.025 -1.839 1.00 0.00 C ATOM 531 O PRO A 41 16.042 -8.811 -1.727 1.00 0.00 O ATOM 532 CB PRO A 41 14.512 -11.586 -3.254 1.00 0.00 C ATOM 533 CG PRO A 41 14.105 -10.775 -4.436 1.00 0.00 C ATOM 534 CD PRO A 41 13.130 -9.752 -3.921 1.00 0.00 C ATOM 0 HA PRO A 41 14.199 -11.057 -1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 41 15.505 -12.014 -3.390 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.827 -12.417 -3.089 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.969 -10.294 -4.895 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.645 -11.402 -5.200 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.201 -8.815 -4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.100 -10.098 -4.011 1.00 0.00 H new ATOM 542 N ALA A 42 16.871 -10.902 -1.760 1.00 0.00 N ATOM 543 CA ALA A 42 18.247 -10.478 -1.534 1.00 0.00 C ATOM 544 C ALA A 42 18.853 -9.883 -2.800 1.00 0.00 C ATOM 545 O ALA A 42 19.594 -8.902 -2.744 1.00 0.00 O ATOM 546 CB ALA A 42 19.087 -11.649 -1.045 1.00 0.00 C ATOM 0 H ALA A 42 16.750 -11.911 -1.849 1.00 0.00 H new ATOM 0 HA ALA A 42 18.241 -9.704 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.112 -11.318 -0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 42 18.674 -12.028 -0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 42 19.078 -12.441 -1.794 1.00 0.00 H new ATOM 552 N ALA A 43 18.533 -10.483 -3.942 1.00 0.00 N ATOM 553 CA ALA A 43 19.045 -10.011 -5.223 1.00 0.00 C ATOM 554 C ALA A 43 18.740 -8.531 -5.424 1.00 0.00 C ATOM 555 O ALA A 43 19.598 -7.763 -5.862 1.00 0.00 O ATOM 556 CB ALA A 43 18.459 -10.833 -6.361 1.00 0.00 C ATOM 0 H ALA A 43 17.922 -11.297 -4.006 1.00 0.00 H new ATOM 0 HA ALA A 43 20.128 -10.135 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 43 18.850 -10.469 -7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 43 18.733 -11.880 -6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.373 -10.739 -6.356 1.00 0.00 H new ATOM 562 N PHE A 44 17.512 -8.136 -5.103 1.00 0.00 N ATOM 563 CA PHE A 44 17.093 -6.747 -5.251 1.00 0.00 C ATOM 564 C PHE A 44 16.425 -6.242 -3.976 1.00 0.00 C ATOM 565 O PHE A 44 15.753 -6.998 -3.274 1.00 0.00 O ATOM 566 CB PHE A 44 16.133 -6.605 -6.434 1.00 0.00 C ATOM 567 CG PHE A 44 15.310 -7.835 -6.689 1.00 0.00 C ATOM 568 CD1 PHE A 44 15.918 -9.033 -7.027 1.00 0.00 C ATOM 569 CD2 PHE A 44 13.929 -7.793 -6.591 1.00 0.00 C ATOM 570 CE1 PHE A 44 15.163 -10.166 -7.263 1.00 0.00 C ATOM 571 CE2 PHE A 44 13.168 -8.923 -6.826 1.00 0.00 C ATOM 572 CZ PHE A 44 13.786 -10.112 -7.161 1.00 0.00 C ATOM 0 H PHE A 44 16.790 -8.758 -4.739 1.00 0.00 H new ATOM 0 HA PHE A 44 17.981 -6.144 -5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.466 -5.763 -6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.706 -6.369 -7.330 1.00 0.00 H new ATOM 0 HD1 PHE A 44 16.994 -9.082 -7.107 1.00 0.00 H new ATOM 0 HD2 PHE A 44 13.441 -6.866 -6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 44 15.649 -11.094 -7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 44 12.092 -8.876 -6.748 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.195 -10.997 -7.343 1.00 0.00 H new ATOM 582 N GLU A 45 16.615 -4.959 -3.683 1.00 0.00 N ATOM 583 CA GLU A 45 16.032 -4.354 -2.491 1.00 0.00 C ATOM 584 C GLU A 45 14.827 -3.490 -2.854 1.00 0.00 C ATOM 585 O GLU A 45 14.438 -3.405 -4.020 1.00 0.00 O ATOM 586 CB GLU A 45 17.076 -3.510 -1.758 1.00 0.00 C ATOM 587 CG GLU A 45 17.455 -2.235 -2.494 1.00 0.00 C ATOM 588 CD GLU A 45 18.034 -1.180 -1.572 1.00 0.00 C ATOM 589 OE1 GLU A 45 18.471 -1.538 -0.459 1.00 0.00 O ATOM 590 OE2 GLU A 45 18.049 0.006 -1.965 1.00 0.00 O ATOM 0 H GLU A 45 17.167 -4.319 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 45 15.698 -5.156 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.693 -3.250 -0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.973 -4.110 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.181 -2.471 -3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.574 -1.832 -2.993 1.00 0.00 H new ATOM 597 N LEU A 46 14.241 -2.851 -1.848 1.00 0.00 N ATOM 598 CA LEU A 46 13.080 -1.993 -2.059 1.00 0.00 C ATOM 599 C LEU A 46 13.509 -0.564 -2.378 1.00 0.00 C ATOM 600 O LEU A 46 14.263 0.051 -1.624 1.00 0.00 O ATOM 601 CB LEU A 46 12.181 -2.004 -0.821 1.00 0.00 C ATOM 602 CG LEU A 46 10.902 -1.172 -0.913 1.00 0.00 C ATOM 603 CD1 LEU A 46 9.786 -1.977 -1.562 1.00 0.00 C ATOM 604 CD2 LEU A 46 10.480 -0.688 0.466 1.00 0.00 C ATOM 0 H LEU A 46 14.550 -2.911 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 46 12.521 -2.383 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.904 -3.036 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.763 -1.647 0.029 1.00 0.00 H new ATOM 0 HG LEU A 46 11.103 -0.301 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.884 -1.368 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.088 -2.273 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.586 -2.868 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.568 -0.097 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.298 -1.546 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.272 -0.073 0.894 1.00 0.00 H new ATOM 616 N VAL A 47 13.021 -0.041 -3.498 1.00 0.00 N ATOM 617 CA VAL A 47 13.351 1.316 -3.915 1.00 0.00 C ATOM 618 C VAL A 47 12.093 2.161 -4.080 1.00 0.00 C ATOM 619 O VAL A 47 11.799 2.649 -5.170 1.00 0.00 O ATOM 620 CB VAL A 47 14.137 1.321 -5.240 1.00 0.00 C ATOM 621 CG1 VAL A 47 14.722 2.699 -5.509 1.00 0.00 C ATOM 622 CG2 VAL A 47 15.231 0.264 -5.214 1.00 0.00 C ATOM 0 H VAL A 47 12.395 -0.537 -4.133 1.00 0.00 H new ATOM 0 HA VAL A 47 13.974 1.746 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 47 13.450 1.080 -6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 47 15.274 2.683 -6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.916 3.430 -5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.396 2.973 -4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 47 15.776 0.281 -6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.918 0.472 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.783 -0.720 -5.072 1.00 0.00 H new ATOM 632 N GLY A 48 11.353 2.331 -2.988 1.00 0.00 N ATOM 633 CA GLY A 48 10.135 3.119 -3.033 1.00 0.00 C ATOM 634 C GLY A 48 9.304 2.972 -1.774 1.00 0.00 C ATOM 635 O GLY A 48 9.775 2.438 -0.771 1.00 0.00 O ATOM 0 H GLY A 48 11.575 1.937 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.390 4.169 -3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.541 2.815 -3.895 1.00 0.00 H new ATOM 639 N GLU A 49 8.064 3.450 -1.826 1.00 0.00 N ATOM 640 CA GLU A 49 7.167 3.372 -0.679 1.00 0.00 C ATOM 641 C GLU A 49 6.788 1.924 -0.383 1.00 0.00 C ATOM 642 O GLU A 49 6.136 1.264 -1.193 1.00 0.00 O ATOM 643 CB GLU A 49 5.906 4.200 -0.932 1.00 0.00 C ATOM 644 CG GLU A 49 6.186 5.666 -1.214 1.00 0.00 C ATOM 645 CD GLU A 49 6.349 6.483 0.054 1.00 0.00 C ATOM 646 OE1 GLU A 49 5.645 6.189 1.042 1.00 0.00 O ATOM 647 OE2 GLU A 49 7.179 7.415 0.057 1.00 0.00 O ATOM 0 H GLU A 49 7.658 3.895 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 49 7.690 3.777 0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.365 3.773 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.252 4.124 -0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.091 5.750 -1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.370 6.080 -1.807 1.00 0.00 H new ATOM 654 N ARG A 50 7.201 1.436 0.782 1.00 0.00 N ATOM 655 CA ARG A 50 6.906 0.066 1.185 1.00 0.00 C ATOM 656 C ARG A 50 5.405 -0.134 1.376 1.00 0.00 C ATOM 657 O ARG A 50 4.902 -1.254 1.290 1.00 0.00 O ATOM 658 CB ARG A 50 7.646 -0.278 2.478 1.00 0.00 C ATOM 659 CG ARG A 50 7.011 0.322 3.722 1.00 0.00 C ATOM 660 CD ARG A 50 7.180 1.833 3.760 1.00 0.00 C ATOM 661 NE ARG A 50 6.909 2.381 5.086 1.00 0.00 N ATOM 662 CZ ARG A 50 7.788 2.366 6.081 1.00 0.00 C ATOM 663 NH1 ARG A 50 8.989 1.834 5.902 1.00 0.00 N ATOM 664 NH2 ARG A 50 7.467 2.885 7.260 1.00 0.00 N ATOM 0 H ARG A 50 7.741 1.969 1.464 1.00 0.00 H new ATOM 0 HA ARG A 50 7.245 -0.600 0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.685 -1.362 2.587 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.676 0.072 2.401 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.950 0.073 3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.463 -0.118 4.611 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.196 2.092 3.462 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.508 2.291 3.034 1.00 0.00 H new ATOM 0 HE ARG A 50 5.994 2.798 5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.240 1.435 4.998 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.662 1.824 6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.544 3.296 7.402 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.143 2.873 8.024 1.00 0.00 H new ATOM 678 N VAL A 51 4.696 0.960 1.636 1.00 0.00 N ATOM 679 CA VAL A 51 3.254 0.906 1.839 1.00 0.00 C ATOM 680 C VAL A 51 2.571 2.142 1.264 1.00 0.00 C ATOM 681 O VAL A 51 3.103 3.249 1.339 1.00 0.00 O ATOM 682 CB VAL A 51 2.901 0.787 3.334 1.00 0.00 C ATOM 683 CG1 VAL A 51 3.858 1.617 4.176 1.00 0.00 C ATOM 684 CG2 VAL A 51 1.460 1.210 3.577 1.00 0.00 C ATOM 0 H VAL A 51 5.098 1.895 1.711 1.00 0.00 H new ATOM 0 HA VAL A 51 2.894 0.019 1.317 1.00 0.00 H new ATOM 0 HB VAL A 51 3.004 -0.256 3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.593 1.521 5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.877 1.262 4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.790 2.664 3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.228 1.119 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.327 2.245 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.791 0.569 3.004 1.00 0.00 H new ATOM 694 N ILE A 52 1.389 1.944 0.690 1.00 0.00 N ATOM 695 CA ILE A 52 0.632 3.043 0.103 1.00 0.00 C ATOM 696 C ILE A 52 -0.762 3.138 0.713 1.00 0.00 C ATOM 697 O ILE A 52 -1.170 2.279 1.495 1.00 0.00 O ATOM 698 CB ILE A 52 0.502 2.885 -1.423 1.00 0.00 C ATOM 699 CG1 ILE A 52 0.128 1.445 -1.779 1.00 0.00 C ATOM 700 CG2 ILE A 52 1.800 3.286 -2.109 1.00 0.00 C ATOM 701 CD1 ILE A 52 0.135 1.169 -3.266 1.00 0.00 C ATOM 0 H ILE A 52 0.935 1.033 0.619 1.00 0.00 H new ATOM 0 HA ILE A 52 1.184 3.957 0.320 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.292 3.544 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.825 0.765 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.863 1.227 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.693 3.169 -3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.027 4.327 -1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.611 2.650 -1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.139 0.129 -3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.582 1.824 -3.761 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.132 1.355 -3.666 1.00 0.00 H new ATOM 713 N THR A 53 -1.491 4.188 0.349 1.00 0.00 N ATOM 714 CA THR A 53 -2.841 4.396 0.860 1.00 0.00 C ATOM 715 C THR A 53 -3.807 4.745 -0.266 1.00 0.00 C ATOM 716 O THR A 53 -3.450 5.455 -1.207 1.00 0.00 O ATOM 717 CB THR A 53 -2.875 5.516 1.917 1.00 0.00 C ATOM 718 OG1 THR A 53 -1.803 5.343 2.850 1.00 0.00 O ATOM 719 CG2 THR A 53 -4.204 5.521 2.658 1.00 0.00 C ATOM 0 H THR A 53 -1.169 4.908 -0.298 1.00 0.00 H new ATOM 0 HA THR A 53 -3.152 3.460 1.324 1.00 0.00 H new ATOM 0 HB THR A 53 -2.759 6.471 1.405 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.831 6.060 3.517 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.204 6.320 3.399 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.015 5.684 1.949 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.346 4.563 3.158 1.00 0.00 H new ATOM 727 N CYS A 54 -5.033 4.242 -0.165 1.00 0.00 N ATOM 728 CA CYS A 54 -6.052 4.501 -1.175 1.00 0.00 C ATOM 729 C CYS A 54 -6.883 5.726 -0.807 1.00 0.00 C ATOM 730 O CYS A 54 -7.401 5.826 0.305 1.00 0.00 O ATOM 731 CB CYS A 54 -6.963 3.282 -1.333 1.00 0.00 C ATOM 732 SG CYS A 54 -8.649 3.682 -1.895 1.00 0.00 S ATOM 0 H CYS A 54 -5.345 3.652 0.607 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.549 4.696 -2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.509 2.592 -2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.024 2.761 -0.378 1.00 0.00 H new ATOM 737 N GLN A 55 -7.005 6.656 -1.749 1.00 0.00 N ATOM 738 CA GLN A 55 -7.773 7.875 -1.525 1.00 0.00 C ATOM 739 C GLN A 55 -9.240 7.669 -1.886 1.00 0.00 C ATOM 740 O GLN A 55 -9.633 6.591 -2.332 1.00 0.00 O ATOM 741 CB GLN A 55 -7.190 9.028 -2.344 1.00 0.00 C ATOM 742 CG GLN A 55 -5.743 9.346 -2.003 1.00 0.00 C ATOM 743 CD GLN A 55 -5.321 10.723 -2.478 1.00 0.00 C ATOM 744 OE1 GLN A 55 -4.620 11.448 -1.771 1.00 0.00 O ATOM 745 NE2 GLN A 55 -5.747 11.091 -3.680 1.00 0.00 N ATOM 0 H GLN A 55 -6.582 6.588 -2.675 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.711 8.124 -0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.259 8.781 -3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.797 9.919 -2.184 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.605 9.280 -0.924 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.094 8.595 -2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.326 10.458 -4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.495 12.007 -4.052 1.00 0.00 H new ATOM 754 N GLN A 56 -10.044 8.709 -1.691 1.00 0.00 N ATOM 755 CA GLN A 56 -11.468 8.640 -1.996 1.00 0.00 C ATOM 756 C GLN A 56 -11.717 8.853 -3.486 1.00 0.00 C ATOM 757 O GLN A 56 -12.850 8.760 -3.955 1.00 0.00 O ATOM 758 CB GLN A 56 -12.236 9.685 -1.185 1.00 0.00 C ATOM 759 CG GLN A 56 -11.531 11.030 -1.102 1.00 0.00 C ATOM 760 CD GLN A 56 -12.476 12.164 -0.756 1.00 0.00 C ATOM 761 OE1 GLN A 56 -12.436 12.705 0.349 1.00 0.00 O ATOM 762 NE2 GLN A 56 -13.333 12.530 -1.702 1.00 0.00 N ATOM 0 H GLN A 56 -9.734 9.609 -1.324 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.824 7.646 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.220 9.827 -1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.395 9.305 -0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -10.743 10.977 -0.351 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -11.048 11.242 -2.056 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.331 12.054 -2.604 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.993 13.288 -1.527 1.00 0.00 H new ATOM 771 N ASN A 57 -10.649 9.139 -4.224 1.00 0.00 N ATOM 772 CA ASN A 57 -10.752 9.366 -5.661 1.00 0.00 C ATOM 773 C ASN A 57 -10.363 8.112 -6.439 1.00 0.00 C ATOM 774 O ASN A 57 -9.913 8.193 -7.580 1.00 0.00 O ATOM 775 CB ASN A 57 -9.859 10.536 -6.079 1.00 0.00 C ATOM 776 CG ASN A 57 -10.345 11.861 -5.524 1.00 0.00 C ATOM 777 OD1 ASN A 57 -10.178 12.149 -4.339 1.00 0.00 O ATOM 778 ND2 ASN A 57 -10.951 12.675 -6.381 1.00 0.00 N ATOM 0 H ASN A 57 -9.703 9.219 -3.851 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.789 9.609 -5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.841 10.353 -5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.824 10.592 -7.167 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.300 13.580 -6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.068 12.395 -7.355 1.00 0.00 H new ATOM 785 N ASN A 58 -10.542 6.954 -5.811 1.00 0.00 N ATOM 786 CA ASN A 58 -10.211 5.683 -6.444 1.00 0.00 C ATOM 787 C ASN A 58 -8.810 5.725 -7.048 1.00 0.00 C ATOM 788 O ASN A 58 -8.598 5.288 -8.179 1.00 0.00 O ATOM 789 CB ASN A 58 -11.236 5.347 -7.529 1.00 0.00 C ATOM 790 CG ASN A 58 -12.655 5.319 -6.995 1.00 0.00 C ATOM 791 OD1 ASN A 58 -12.875 5.159 -5.795 1.00 0.00 O ATOM 792 ND2 ASN A 58 -13.626 5.473 -7.888 1.00 0.00 N ATOM 0 H ASN A 58 -10.914 6.870 -4.865 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.235 4.907 -5.679 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -11.167 6.082 -8.331 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -10.995 4.377 -7.965 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.601 5.461 -7.588 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.397 5.603 -8.873 1.00 0.00 H new ATOM 799 N GLN A 59 -7.858 6.253 -6.285 1.00 0.00 N ATOM 800 CA GLN A 59 -6.478 6.351 -6.745 1.00 0.00 C ATOM 801 C GLN A 59 -5.510 6.347 -5.566 1.00 0.00 C ATOM 802 O GLN A 59 -5.797 6.917 -4.513 1.00 0.00 O ATOM 803 CB GLN A 59 -6.285 7.622 -7.575 1.00 0.00 C ATOM 804 CG GLN A 59 -7.081 7.629 -8.870 1.00 0.00 C ATOM 805 CD GLN A 59 -7.044 8.974 -9.569 1.00 0.00 C ATOM 806 OE1 GLN A 59 -6.200 9.819 -9.271 1.00 0.00 O ATOM 807 NE2 GLN A 59 -7.963 9.180 -10.505 1.00 0.00 N ATOM 0 H GLN A 59 -8.017 6.619 -5.346 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.266 5.482 -7.368 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.575 8.485 -6.975 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.226 7.737 -7.808 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.686 6.865 -9.539 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.116 7.362 -8.657 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.644 8.452 -10.720 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.988 10.067 -11.009 1.00 0.00 H new ATOM 816 N TRP A 60 -4.364 5.702 -5.751 1.00 0.00 N ATOM 817 CA TRP A 60 -3.354 5.624 -4.702 1.00 0.00 C ATOM 818 C TRP A 60 -2.518 6.899 -4.655 1.00 0.00 C ATOM 819 O TRP A 60 -2.003 7.353 -5.676 1.00 0.00 O ATOM 820 CB TRP A 60 -2.447 4.414 -4.928 1.00 0.00 C ATOM 821 CG TRP A 60 -3.165 3.103 -4.812 1.00 0.00 C ATOM 822 CD1 TRP A 60 -3.761 2.403 -5.822 1.00 0.00 C ATOM 823 CD2 TRP A 60 -3.364 2.338 -3.618 1.00 0.00 C ATOM 824 NE1 TRP A 60 -4.319 1.248 -5.328 1.00 0.00 N ATOM 825 CE2 TRP A 60 -4.088 1.185 -3.979 1.00 0.00 C ATOM 826 CE3 TRP A 60 -2.999 2.514 -2.281 1.00 0.00 C ATOM 827 CZ2 TRP A 60 -4.454 0.215 -3.049 1.00 0.00 C ATOM 828 CZ3 TRP A 60 -3.364 1.551 -1.359 1.00 0.00 C ATOM 829 CH2 TRP A 60 -4.084 0.413 -1.746 1.00 0.00 C ATOM 0 H TRP A 60 -4.111 5.226 -6.617 1.00 0.00 H new ATOM 0 HA TRP A 60 -3.867 5.512 -3.747 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.996 4.487 -5.918 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.633 4.439 -4.204 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -3.790 2.712 -6.857 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -4.823 0.551 -5.876 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.442 3.387 -1.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -5.010 -0.662 -3.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.089 1.678 -0.322 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.352 -0.322 -1.002 1.00 0.00 H new ATOM 840 N SER A 61 -2.389 7.472 -3.462 1.00 0.00 N ATOM 841 CA SER A 61 -1.618 8.698 -3.283 1.00 0.00 C ATOM 842 C SER A 61 -0.185 8.514 -3.772 1.00 0.00 C ATOM 843 O SER A 61 0.425 9.441 -4.304 1.00 0.00 O ATOM 844 CB SER A 61 -1.618 9.114 -1.811 1.00 0.00 C ATOM 845 OG SER A 61 -1.363 8.005 -0.967 1.00 0.00 O ATOM 0 H SER A 61 -2.808 7.108 -2.606 1.00 0.00 H new ATOM 0 HA SER A 61 -2.087 9.484 -3.875 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.861 9.881 -1.647 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.581 9.556 -1.555 1.00 0.00 H new ATOM 0 HG SER A 61 -1.367 8.298 -0.032 1.00 0.00 H new ATOM 851 N GLY A 62 0.347 7.310 -3.588 1.00 0.00 N ATOM 852 CA GLY A 62 1.705 7.025 -4.015 1.00 0.00 C ATOM 853 C GLY A 62 1.770 5.902 -5.031 1.00 0.00 C ATOM 854 O GLY A 62 1.038 4.919 -4.927 1.00 0.00 O ATOM 0 H GLY A 62 -0.138 6.526 -3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.144 7.925 -4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.308 6.760 -3.146 1.00 0.00 H new ATOM 858 N ASN A 63 2.647 6.050 -6.019 1.00 0.00 N ATOM 859 CA ASN A 63 2.803 5.041 -7.060 1.00 0.00 C ATOM 860 C ASN A 63 3.408 3.761 -6.491 1.00 0.00 C ATOM 861 O ASN A 63 4.202 3.801 -5.551 1.00 0.00 O ATOM 862 CB ASN A 63 3.684 5.576 -8.190 1.00 0.00 C ATOM 863 CG ASN A 63 2.887 6.331 -9.236 1.00 0.00 C ATOM 864 OD1 ASN A 63 3.234 6.331 -10.418 1.00 0.00 O ATOM 865 ND2 ASN A 63 1.812 6.981 -8.805 1.00 0.00 N ATOM 0 H ASN A 63 3.260 6.859 -6.120 1.00 0.00 H new ATOM 0 HA ASN A 63 1.815 4.809 -7.457 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.446 6.234 -7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.206 4.745 -8.665 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.237 7.508 -9.462 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.562 6.954 -7.817 1.00 0.00 H new ATOM 872 N LYS A 64 3.028 2.626 -7.067 1.00 0.00 N ATOM 873 CA LYS A 64 3.533 1.333 -6.620 1.00 0.00 C ATOM 874 C LYS A 64 5.052 1.361 -6.481 1.00 0.00 C ATOM 875 O LYS A 64 5.756 2.038 -7.231 1.00 0.00 O ATOM 876 CB LYS A 64 3.121 0.234 -7.602 1.00 0.00 C ATOM 877 CG LYS A 64 3.031 0.707 -9.042 1.00 0.00 C ATOM 878 CD LYS A 64 3.228 -0.440 -10.019 1.00 0.00 C ATOM 879 CE LYS A 64 3.838 0.040 -11.327 1.00 0.00 C ATOM 880 NZ LYS A 64 3.048 1.147 -11.934 1.00 0.00 N ATOM 0 H LYS A 64 2.371 2.575 -7.846 1.00 0.00 H new ATOM 0 HA LYS A 64 3.100 1.120 -5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.839 -0.584 -7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.154 -0.168 -7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.059 1.170 -9.214 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.785 1.473 -9.222 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.874 -1.194 -9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.269 -0.919 -10.218 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.859 0.378 -11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.895 -0.793 -12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.393 1.332 -12.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.044 0.877 -11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.155 2.006 -11.358 1.00 0.00 H new ATOM 894 N PRO A 65 5.571 0.609 -5.500 1.00 0.00 N ATOM 895 CA PRO A 65 7.012 0.529 -5.241 1.00 0.00 C ATOM 896 C PRO A 65 7.758 -0.217 -6.342 1.00 0.00 C ATOM 897 O PRO A 65 7.145 -0.784 -7.246 1.00 0.00 O ATOM 898 CB PRO A 65 7.093 -0.243 -3.922 1.00 0.00 C ATOM 899 CG PRO A 65 5.842 -1.049 -3.877 1.00 0.00 C ATOM 900 CD PRO A 65 4.792 -0.223 -4.568 1.00 0.00 C ATOM 0 HA PRO A 65 7.475 1.515 -5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.976 -0.881 -3.890 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.158 0.434 -3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.977 -2.007 -4.378 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.554 -1.265 -2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.071 -0.848 -5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.229 0.386 -3.860 1.00 0.00 H new ATOM 908 N SER A 66 9.085 -0.212 -6.259 1.00 0.00 N ATOM 909 CA SER A 66 9.915 -0.886 -7.251 1.00 0.00 C ATOM 910 C SER A 66 11.215 -1.381 -6.625 1.00 0.00 C ATOM 911 O SER A 66 11.796 -0.718 -5.765 1.00 0.00 O ATOM 912 CB SER A 66 10.224 0.058 -8.415 1.00 0.00 C ATOM 913 OG SER A 66 9.220 -0.017 -9.412 1.00 0.00 O ATOM 0 H SER A 66 9.608 0.251 -5.516 1.00 0.00 H new ATOM 0 HA SER A 66 9.362 -1.747 -7.627 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.300 1.081 -8.047 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.191 -0.198 -8.848 1.00 0.00 H new ATOM 0 HG SER A 66 8.367 -0.265 -8.999 1.00 0.00 H new ATOM 919 N CYS A 67 11.666 -2.552 -7.062 1.00 0.00 N ATOM 920 CA CYS A 67 12.897 -3.139 -6.545 1.00 0.00 C ATOM 921 C CYS A 67 14.004 -3.092 -7.594 1.00 0.00 C ATOM 922 O CYS A 67 13.784 -3.425 -8.759 1.00 0.00 O ATOM 923 CB CYS A 67 12.653 -4.586 -6.110 1.00 0.00 C ATOM 924 SG CYS A 67 11.193 -4.804 -5.042 1.00 0.00 S ATOM 0 H CYS A 67 11.197 -3.113 -7.773 1.00 0.00 H new ATOM 0 HA CYS A 67 13.214 -2.555 -5.681 1.00 0.00 H new ATOM 0 HB2 CYS A 67 12.536 -5.207 -6.998 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.534 -4.949 -5.581 1.00 0.00 H new ATOM 929 N SER A 68 15.194 -2.677 -7.173 1.00 0.00 N ATOM 930 CA SER A 68 16.335 -2.583 -8.076 1.00 0.00 C ATOM 931 C SER A 68 16.356 -3.758 -9.049 1.00 0.00 C ATOM 932 O SER A 68 15.811 -4.824 -8.765 1.00 0.00 O ATOM 933 CB SER A 68 17.640 -2.543 -7.279 1.00 0.00 C ATOM 934 OG SER A 68 18.074 -3.850 -6.944 1.00 0.00 O ATOM 0 H SER A 68 15.393 -2.400 -6.212 1.00 0.00 H new ATOM 0 HA SER A 68 16.239 -1.661 -8.649 1.00 0.00 H new ATOM 0 HB2 SER A 68 18.411 -2.039 -7.862 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.496 -1.960 -6.369 1.00 0.00 H new ATOM 0 HG SER A 68 18.911 -3.797 -6.436 1.00 0.00 H new ATOM 940 N GLY A 69 16.989 -3.554 -10.200 1.00 0.00 N ATOM 941 CA GLY A 69 17.070 -4.603 -11.199 1.00 0.00 C ATOM 942 C GLY A 69 17.535 -4.087 -12.546 1.00 0.00 C ATOM 943 O GLY A 69 17.965 -2.941 -12.681 1.00 0.00 O ATOM 0 H GLY A 69 17.447 -2.680 -10.458 1.00 0.00 H new ATOM 0 HA2 GLY A 69 17.755 -5.377 -10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.092 -5.070 -11.311 1.00 0.00 H new ATOM 947 N PRO A 70 17.452 -4.945 -13.574 1.00 0.00 N ATOM 948 CA PRO A 70 17.864 -4.592 -14.935 1.00 0.00 C ATOM 949 C PRO A 70 16.926 -3.577 -15.580 1.00 0.00 C ATOM 950 O PRO A 70 15.753 -3.484 -15.218 1.00 0.00 O ATOM 951 CB PRO A 70 17.803 -5.927 -15.682 1.00 0.00 C ATOM 952 CG PRO A 70 16.810 -6.740 -14.924 1.00 0.00 C ATOM 953 CD PRO A 70 16.949 -6.327 -13.485 1.00 0.00 C ATOM 0 HA PRO A 70 18.847 -4.122 -14.954 1.00 0.00 H new ATOM 0 HB2 PRO A 70 17.493 -5.787 -16.718 1.00 0.00 H new ATOM 0 HB3 PRO A 70 18.778 -6.413 -15.704 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.798 -6.558 -15.286 1.00 0.00 H new ATOM 0 HG3 PRO A 70 17.005 -7.806 -15.045 1.00 0.00 H new ATOM 0 HD2 PRO A 70 15.995 -6.375 -12.959 1.00 0.00 H new ATOM 0 HD3 PRO A 70 17.642 -6.973 -12.947 1.00 0.00 H new ATOM 961 N SER A 71 17.450 -2.819 -16.538 1.00 0.00 N ATOM 962 CA SER A 71 16.659 -1.808 -17.231 1.00 0.00 C ATOM 963 C SER A 71 15.772 -2.448 -18.294 1.00 0.00 C ATOM 964 O SER A 71 16.005 -2.286 -19.492 1.00 0.00 O ATOM 965 CB SER A 71 17.576 -0.766 -17.874 1.00 0.00 C ATOM 966 OG SER A 71 18.403 -0.146 -16.905 1.00 0.00 O ATOM 0 H SER A 71 18.418 -2.886 -16.852 1.00 0.00 H new ATOM 0 HA SER A 71 16.020 -1.316 -16.498 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.195 -1.242 -18.634 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.975 -0.011 -18.380 1.00 0.00 H new ATOM 0 HG SER A 71 18.980 0.514 -17.342 1.00 0.00 H new ATOM 972 N SER A 72 14.753 -3.175 -17.847 1.00 0.00 N ATOM 973 CA SER A 72 13.832 -3.843 -18.759 1.00 0.00 C ATOM 974 C SER A 72 12.699 -2.907 -19.169 1.00 0.00 C ATOM 975 O SER A 72 11.820 -2.591 -18.368 1.00 0.00 O ATOM 976 CB SER A 72 13.258 -5.102 -18.107 1.00 0.00 C ATOM 977 OG SER A 72 12.298 -5.719 -18.946 1.00 0.00 O ATOM 0 H SER A 72 14.544 -3.316 -16.859 1.00 0.00 H new ATOM 0 HA SER A 72 14.387 -4.127 -19.653 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.064 -5.804 -17.894 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.799 -4.844 -17.153 1.00 0.00 H new ATOM 0 HG SER A 72 11.948 -6.522 -18.507 1.00 0.00 H new ATOM 983 N GLY A 73 12.728 -2.466 -20.423 1.00 0.00 N ATOM 984 CA GLY A 73 11.699 -1.571 -20.918 1.00 0.00 C ATOM 985 C GLY A 73 10.623 -2.299 -21.700 1.00 0.00 C ATOM 986 O GLY A 73 9.436 -2.174 -21.400 1.00 0.00 O ATOM 0 H GLY A 73 13.446 -2.713 -21.105 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.242 -1.048 -20.078 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.156 -0.813 -21.554 1.00 0.00 H new TER 990 GLY A 73