USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 39 THR OG1 : rot 25:sc= 0.0876 USER MOD Single : A 1 HIS : no HD1:sc= 0.399 K(o=0.4,f=-2.8!) USER MOD Single : A 1 HIS N :NH3+ 150:sc= 1.12 (180deg=0.58) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.397 K(o=-0.4,f=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ 143:sc= -3.66! (180deg=-5.91!) USER MOD Single : A 12 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.0033) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.71 USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= -0.0155 (180deg=-0.193) USER MOD Single : A 30 LYS NZ :NH3+ -106:sc= -2.06! (180deg=-4.52!) USER MOD Single : A 31 MET CE :methyl -158:sc= -0.186 (180deg=-0.787) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.324 K(o=-0.32,f=1.1) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -160:sc= -0.239 (180deg=-0.856) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -134:sc= -0.319 (180deg=-0.931) USER MOD Single : A 72 LYS NZ :NH3+ -165:sc= -0.0432 (180deg=-0.275) USER MOD Single : A 75 THR OG1 : rot 30:sc= 0.0926 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -15:sc= 0.765 USER MOD Single : A 87 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 32.248 -8.166 7.386 1.00 0.00 N ATOM 2 CA HIS A 1 33.161 -7.494 6.425 1.00 0.00 C ATOM 3 C HIS A 1 32.784 -7.825 4.985 1.00 0.00 C ATOM 4 O HIS A 1 31.941 -8.688 4.736 1.00 0.00 O ATOM 5 CB HIS A 1 34.593 -7.948 6.714 1.00 0.00 C ATOM 6 CG HIS A 1 35.071 -7.585 8.086 1.00 0.00 C ATOM 7 ND1 HIS A 1 34.455 -8.024 9.239 1.00 0.00 N ATOM 8 CD2 HIS A 1 36.114 -6.820 8.488 1.00 0.00 C ATOM 9 CE1 HIS A 1 35.096 -7.544 10.290 1.00 0.00 C ATOM 10 NE2 HIS A 1 36.107 -6.811 9.861 1.00 0.00 N ATOM 0 H1 HIS A 1 32.760 -8.366 8.269 1.00 0.00 H new ATOM 0 H2 HIS A 1 31.438 -7.545 7.588 1.00 0.00 H new ATOM 0 H3 HIS A 1 31.906 -9.058 6.975 1.00 0.00 H new ATOM 0 HA HIS A 1 33.078 -6.414 6.547 1.00 0.00 H new ATOM 0 HB2 HIS A 1 34.654 -9.029 6.591 1.00 0.00 H new ATOM 0 HB3 HIS A 1 35.262 -7.505 5.976 1.00 0.00 H new ATOM 0 HD2 HIS A 1 36.820 -6.312 7.848 1.00 0.00 H new ATOM 0 HE1 HIS A 1 34.837 -7.721 11.323 1.00 0.00 H new ATOM 0 HE2 HIS A 1 36.775 -6.318 10.454 1.00 0.00 H new ATOM 21 N SER A 2 33.414 -7.134 4.040 1.00 0.00 N ATOM 22 CA SER A 2 33.147 -7.352 2.624 1.00 0.00 C ATOM 23 C SER A 2 34.383 -7.047 1.784 1.00 0.00 C ATOM 24 O SER A 2 35.469 -6.822 2.319 1.00 0.00 O ATOM 25 CB SER A 2 31.975 -6.483 2.164 1.00 0.00 C ATOM 26 OG SER A 2 30.797 -6.792 2.887 1.00 0.00 O ATOM 0 H SER A 2 34.114 -6.417 4.231 1.00 0.00 H new ATOM 0 HA SER A 2 32.887 -8.402 2.487 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.223 -5.430 2.300 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.802 -6.635 1.099 1.00 0.00 H new ATOM 0 HG SER A 2 30.063 -6.222 2.576 1.00 0.00 H new ATOM 32 N SER A 3 34.210 -7.041 0.466 1.00 0.00 N ATOM 33 CA SER A 3 35.311 -6.764 -0.449 1.00 0.00 C ATOM 34 C SER A 3 35.310 -5.299 -0.875 1.00 0.00 C ATOM 35 O SER A 3 35.931 -4.932 -1.873 1.00 0.00 O ATOM 36 CB SER A 3 35.217 -7.666 -1.681 1.00 0.00 C ATOM 37 OG SER A 3 33.998 -7.458 -2.374 1.00 0.00 O ATOM 0 H SER A 3 33.317 -7.225 0.008 1.00 0.00 H new ATOM 0 HA SER A 3 36.245 -6.970 0.073 1.00 0.00 H new ATOM 0 HB2 SER A 3 36.056 -7.466 -2.347 1.00 0.00 H new ATOM 0 HB3 SER A 3 35.293 -8.710 -1.378 1.00 0.00 H new ATOM 0 HG SER A 3 33.963 -8.045 -3.158 1.00 0.00 H new ATOM 43 N GLY A 4 34.607 -4.468 -0.112 1.00 0.00 N ATOM 44 CA GLY A 4 34.537 -3.052 -0.424 1.00 0.00 C ATOM 45 C GLY A 4 33.142 -2.488 -0.239 1.00 0.00 C ATOM 46 O GLY A 4 32.154 -3.218 -0.324 1.00 0.00 O ATOM 0 H GLY A 4 34.084 -4.750 0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 4 35.234 -2.507 0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 4 34.857 -2.893 -1.454 1.00 0.00 H new ATOM 50 N HIS A 5 33.062 -1.186 0.015 1.00 0.00 N ATOM 51 CA HIS A 5 31.778 -0.524 0.213 1.00 0.00 C ATOM 52 C HIS A 5 31.313 0.156 -1.072 1.00 0.00 C ATOM 53 O HIS A 5 31.482 1.364 -1.244 1.00 0.00 O ATOM 54 CB HIS A 5 31.879 0.503 1.343 1.00 0.00 C ATOM 55 CG HIS A 5 32.262 -0.093 2.662 1.00 0.00 C ATOM 56 ND1 HIS A 5 33.444 -0.774 2.867 1.00 0.00 N ATOM 57 CD2 HIS A 5 31.612 -0.107 3.850 1.00 0.00 C ATOM 58 CE1 HIS A 5 33.503 -1.181 4.123 1.00 0.00 C ATOM 59 NE2 HIS A 5 32.405 -0.788 4.740 1.00 0.00 N ATOM 0 H HIS A 5 33.871 -0.569 0.089 1.00 0.00 H new ATOM 0 HA HIS A 5 31.044 -1.282 0.487 1.00 0.00 H new ATOM 0 HB2 HIS A 5 32.613 1.261 1.069 1.00 0.00 H new ATOM 0 HB3 HIS A 5 30.920 1.011 1.448 1.00 0.00 H new ATOM 0 HD2 HIS A 5 30.649 0.335 4.058 1.00 0.00 H new ATOM 0 HE1 HIS A 5 34.312 -1.740 4.569 1.00 0.00 H new ATOM 0 HE2 HIS A 5 32.181 -0.962 5.720 1.00 0.00 H new ATOM 68 N ILE A 6 30.728 -0.629 -1.972 1.00 0.00 N ATOM 69 CA ILE A 6 30.240 -0.105 -3.243 1.00 0.00 C ATOM 70 C ILE A 6 28.717 -0.020 -3.250 1.00 0.00 C ATOM 71 O ILE A 6 28.028 -1.019 -3.042 1.00 0.00 O ATOM 72 CB ILE A 6 30.702 -0.980 -4.426 1.00 0.00 C ATOM 73 CG1 ILE A 6 32.230 -1.080 -4.447 1.00 0.00 C ATOM 74 CG2 ILE A 6 30.183 -0.410 -5.740 1.00 0.00 C ATOM 75 CD1 ILE A 6 32.768 -1.980 -5.540 1.00 0.00 C ATOM 0 H ILE A 6 30.581 -1.630 -1.844 1.00 0.00 H new ATOM 0 HA ILE A 6 30.658 0.895 -3.357 1.00 0.00 H new ATOM 0 HB ILE A 6 30.293 -1.983 -4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 6 32.649 -0.081 -4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 6 32.574 -1.451 -3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 6 30.517 -1.038 -6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 6 29.093 -0.385 -5.721 1.00 0.00 H new ATOM 0 HG23 ILE A 6 30.567 0.601 -5.875 1.00 0.00 H new ATOM 0 HD11 ILE A 6 33.857 -2.001 -5.491 1.00 0.00 H new ATOM 0 HD12 ILE A 6 32.380 -2.989 -5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 6 32.455 -1.599 -6.512 1.00 0.00 H new ATOM 87 N ASP A 7 28.198 1.181 -3.491 1.00 0.00 N ATOM 88 CA ASP A 7 26.756 1.399 -3.524 1.00 0.00 C ATOM 89 C ASP A 7 26.189 1.103 -4.910 1.00 0.00 C ATOM 90 O ASP A 7 25.275 1.784 -5.375 1.00 0.00 O ATOM 91 CB ASP A 7 26.427 2.838 -3.118 1.00 0.00 C ATOM 92 CG ASP A 7 27.087 3.867 -4.019 1.00 0.00 C ATOM 93 OD1 ASP A 7 27.816 3.465 -4.951 1.00 0.00 O ATOM 94 OD2 ASP A 7 26.874 5.077 -3.791 1.00 0.00 O ATOM 0 H ASP A 7 28.755 2.017 -3.666 1.00 0.00 H new ATOM 0 HA ASP A 7 26.295 0.714 -2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 7 25.347 2.980 -3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 7 26.747 3.003 -2.089 1.00 0.00 H new ATOM 99 N ASP A 8 26.738 0.084 -5.565 1.00 0.00 N ATOM 100 CA ASP A 8 26.288 -0.298 -6.899 1.00 0.00 C ATOM 101 C ASP A 8 25.886 -1.769 -6.950 1.00 0.00 C ATOM 102 O ASP A 8 25.753 -2.343 -8.032 1.00 0.00 O ATOM 103 CB ASP A 8 27.390 -0.030 -7.929 1.00 0.00 C ATOM 104 CG ASP A 8 27.737 1.443 -8.051 1.00 0.00 C ATOM 105 OD1 ASP A 8 27.098 2.265 -7.362 1.00 0.00 O ATOM 106 OD2 ASP A 8 28.646 1.774 -8.841 1.00 0.00 O ATOM 0 H ASP A 8 27.494 -0.491 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 8 25.413 0.306 -7.138 1.00 0.00 H new ATOM 0 HB2 ASP A 8 28.284 -0.587 -7.650 1.00 0.00 H new ATOM 0 HB3 ASP A 8 27.071 -0.405 -8.901 1.00 0.00 H new ATOM 111 N ASP A 9 25.695 -2.381 -5.783 1.00 0.00 N ATOM 112 CA ASP A 9 25.312 -3.788 -5.725 1.00 0.00 C ATOM 113 C ASP A 9 24.617 -4.133 -4.408 1.00 0.00 C ATOM 114 O ASP A 9 23.389 -4.130 -4.326 1.00 0.00 O ATOM 115 CB ASP A 9 26.546 -4.676 -5.917 1.00 0.00 C ATOM 116 CG ASP A 9 26.200 -6.152 -5.978 1.00 0.00 C ATOM 117 OD1 ASP A 9 25.668 -6.681 -4.979 1.00 0.00 O ATOM 118 OD2 ASP A 9 26.460 -6.779 -7.026 1.00 0.00 O ATOM 0 H ASP A 9 25.798 -1.930 -4.874 1.00 0.00 H new ATOM 0 HA ASP A 9 24.602 -3.972 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.056 -4.388 -6.836 1.00 0.00 H new ATOM 0 HB3 ASP A 9 27.244 -4.504 -5.097 1.00 0.00 H new ATOM 123 N ASP A 10 25.409 -4.449 -3.386 1.00 0.00 N ATOM 124 CA ASP A 10 24.876 -4.817 -2.081 1.00 0.00 C ATOM 125 C ASP A 10 24.418 -3.590 -1.300 1.00 0.00 C ATOM 126 O ASP A 10 23.462 -3.653 -0.527 1.00 0.00 O ATOM 127 CB ASP A 10 25.949 -5.575 -1.299 1.00 0.00 C ATOM 128 CG ASP A 10 25.488 -6.018 0.078 1.00 0.00 C ATOM 129 OD1 ASP A 10 24.292 -5.851 0.393 1.00 0.00 O ATOM 130 OD2 ASP A 10 26.326 -6.548 0.839 1.00 0.00 O ATOM 0 H ASP A 10 26.428 -4.457 -3.440 1.00 0.00 H new ATOM 0 HA ASP A 10 24.004 -5.455 -2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 10 26.255 -6.451 -1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 10 26.828 -4.940 -1.193 1.00 0.00 H new ATOM 135 N LYS A 11 25.104 -2.478 -1.509 1.00 0.00 N ATOM 136 CA LYS A 11 24.770 -1.236 -0.824 1.00 0.00 C ATOM 137 C LYS A 11 23.704 -0.466 -1.592 1.00 0.00 C ATOM 138 O LYS A 11 23.146 0.512 -1.093 1.00 0.00 O ATOM 139 CB LYS A 11 26.021 -0.372 -0.655 1.00 0.00 C ATOM 140 CG LYS A 11 27.154 -1.069 0.084 1.00 0.00 C ATOM 141 CD LYS A 11 26.750 -1.495 1.492 1.00 0.00 C ATOM 142 CE LYS A 11 26.528 -0.301 2.413 1.00 0.00 C ATOM 143 NZ LYS A 11 25.342 0.509 2.015 1.00 0.00 N ATOM 0 H LYS A 11 25.896 -2.408 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 11 24.374 -1.485 0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 11 26.376 -0.066 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 11 25.753 0.537 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 11 27.469 -1.945 -0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.013 -0.401 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 11 25.837 -2.088 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 11 27.525 -2.137 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 11 26.397 -0.654 3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 11 27.416 0.331 2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 24.856 0.854 2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 25.652 1.319 1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 24.690 -0.080 1.459 1.00 0.00 H new ATOM 157 N HIS A 12 23.428 -0.916 -2.811 1.00 0.00 N ATOM 158 CA HIS A 12 22.428 -0.275 -3.657 1.00 0.00 C ATOM 159 C HIS A 12 21.040 -0.843 -3.372 1.00 0.00 C ATOM 160 O HIS A 12 20.062 -0.102 -3.280 1.00 0.00 O ATOM 161 CB HIS A 12 22.784 -0.472 -5.135 1.00 0.00 C ATOM 162 CG HIS A 12 21.921 0.306 -6.085 1.00 0.00 C ATOM 163 ND1 HIS A 12 22.038 0.206 -7.456 1.00 0.00 N ATOM 164 CD2 HIS A 12 20.929 1.204 -5.861 1.00 0.00 C ATOM 165 CE1 HIS A 12 21.160 1.008 -8.032 1.00 0.00 C ATOM 166 NE2 HIS A 12 20.475 1.623 -7.087 1.00 0.00 N ATOM 0 H HIS A 12 23.884 -1.724 -3.236 1.00 0.00 H new ATOM 0 HA HIS A 12 22.418 0.792 -3.433 1.00 0.00 H new ATOM 0 HB2 HIS A 12 23.824 -0.184 -5.288 1.00 0.00 H new ATOM 0 HB3 HIS A 12 22.708 -1.532 -5.377 1.00 0.00 H new ATOM 0 HD2 HIS A 12 20.564 1.529 -4.898 1.00 0.00 H new ATOM 0 HE1 HIS A 12 21.026 1.138 -9.096 1.00 0.00 H new ATOM 0 HE2 HIS A 12 19.728 2.301 -7.242 1.00 0.00 H new ATOM 175 N MET A 13 20.965 -2.163 -3.233 1.00 0.00 N ATOM 176 CA MET A 13 19.700 -2.836 -2.959 1.00 0.00 C ATOM 177 C MET A 13 19.124 -2.392 -1.615 1.00 0.00 C ATOM 178 O MET A 13 17.936 -2.572 -1.347 1.00 0.00 O ATOM 179 CB MET A 13 19.899 -4.353 -2.971 1.00 0.00 C ATOM 180 CG MET A 13 18.614 -5.143 -2.785 1.00 0.00 C ATOM 181 SD MET A 13 18.884 -6.925 -2.832 1.00 0.00 S ATOM 182 CE MET A 13 17.210 -7.527 -2.633 1.00 0.00 C ATOM 0 H MET A 13 21.767 -2.789 -3.306 1.00 0.00 H new ATOM 0 HA MET A 13 18.991 -2.562 -3.740 1.00 0.00 H new ATOM 0 HB2 MET A 13 20.358 -4.642 -3.916 1.00 0.00 H new ATOM 0 HB3 MET A 13 20.599 -4.624 -2.180 1.00 0.00 H new ATOM 0 HG2 MET A 13 18.160 -4.873 -1.831 1.00 0.00 H new ATOM 0 HG3 MET A 13 17.905 -4.866 -3.565 1.00 0.00 H new ATOM 0 HE1 MET A 13 17.212 -8.617 -2.642 1.00 0.00 H new ATOM 0 HE2 MET A 13 16.806 -7.173 -1.685 1.00 0.00 H new ATOM 0 HE3 MET A 13 16.591 -7.159 -3.451 1.00 0.00 H new ATOM 192 N ALA A 14 19.973 -1.810 -0.775 1.00 0.00 N ATOM 193 CA ALA A 14 19.547 -1.338 0.538 1.00 0.00 C ATOM 194 C ALA A 14 18.995 0.081 0.458 1.00 0.00 C ATOM 195 O ALA A 14 18.267 0.526 1.346 1.00 0.00 O ATOM 196 CB ALA A 14 20.705 -1.401 1.522 1.00 0.00 C ATOM 0 H ALA A 14 20.960 -1.654 -0.980 1.00 0.00 H new ATOM 0 HA ALA A 14 18.749 -1.991 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.373 -1.046 2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.053 -2.430 1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 14 21.520 -0.772 1.165 1.00 0.00 H new ATOM 202 N GLU A 15 19.348 0.786 -0.612 1.00 0.00 N ATOM 203 CA GLU A 15 18.891 2.157 -0.813 1.00 0.00 C ATOM 204 C GLU A 15 18.124 2.287 -2.124 1.00 0.00 C ATOM 205 O GLU A 15 17.884 3.395 -2.606 1.00 0.00 O ATOM 206 CB GLU A 15 20.081 3.115 -0.813 1.00 0.00 C ATOM 207 CG GLU A 15 20.868 3.108 0.488 1.00 0.00 C ATOM 208 CD GLU A 15 22.039 4.072 0.470 1.00 0.00 C ATOM 209 OE1 GLU A 15 22.239 4.748 -0.561 1.00 0.00 O ATOM 210 OE2 GLU A 15 22.757 4.152 1.489 1.00 0.00 O ATOM 0 H GLU A 15 19.950 0.430 -1.354 1.00 0.00 H new ATOM 0 HA GLU A 15 18.222 2.415 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 15 20.749 2.852 -1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.723 4.126 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 15 20.203 3.367 1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 15 21.236 2.100 0.680 1.00 0.00 H new ATOM 217 N ARG A 16 17.748 1.148 -2.698 1.00 0.00 N ATOM 218 CA ARG A 16 17.011 1.128 -3.958 1.00 0.00 C ATOM 219 C ARG A 16 15.764 2.005 -3.890 1.00 0.00 C ATOM 220 O ARG A 16 15.307 2.371 -2.807 1.00 0.00 O ATOM 221 CB ARG A 16 16.640 -0.312 -4.339 1.00 0.00 C ATOM 222 CG ARG A 16 16.024 -1.125 -3.206 1.00 0.00 C ATOM 223 CD ARG A 16 14.616 -0.662 -2.863 1.00 0.00 C ATOM 224 NE ARG A 16 14.013 -1.483 -1.815 1.00 0.00 N ATOM 225 CZ ARG A 16 12.776 -1.308 -1.358 1.00 0.00 C ATOM 226 NH1 ARG A 16 12.010 -0.347 -1.855 1.00 0.00 N ATOM 227 NH2 ARG A 16 12.304 -2.097 -0.402 1.00 0.00 N ATOM 0 H ARG A 16 17.942 0.225 -2.310 1.00 0.00 H new ATOM 0 HA ARG A 16 17.661 1.538 -4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.939 -0.285 -5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 16 17.535 -0.824 -4.692 1.00 0.00 H new ATOM 0 HG2 ARG A 16 15.999 -2.177 -3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 16 16.655 -1.047 -2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 16 14.645 0.378 -2.538 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.994 -0.700 -3.757 1.00 0.00 H new ATOM 0 HE ARG A 16 14.573 -2.234 -1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.368 0.262 -2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.062 -0.216 -1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.890 -2.838 -0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.355 -1.963 -0.052 1.00 0.00 H new ATOM 241 N LEU A 17 15.227 2.343 -5.057 1.00 0.00 N ATOM 242 CA LEU A 17 14.039 3.184 -5.144 1.00 0.00 C ATOM 243 C LEU A 17 12.861 2.554 -4.405 1.00 0.00 C ATOM 244 O LEU A 17 12.570 1.369 -4.573 1.00 0.00 O ATOM 245 CB LEU A 17 13.671 3.425 -6.609 1.00 0.00 C ATOM 246 CG LEU A 17 14.793 4.007 -7.473 1.00 0.00 C ATOM 247 CD1 LEU A 17 14.315 4.210 -8.902 1.00 0.00 C ATOM 248 CD2 LEU A 17 15.297 5.319 -6.886 1.00 0.00 C ATOM 0 H LEU A 17 15.598 2.046 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 17 14.266 4.139 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.349 2.480 -7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.817 4.101 -6.646 1.00 0.00 H new ATOM 0 HG LEU A 17 15.620 3.297 -7.484 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.126 4.624 -9.501 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.006 3.253 -9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.470 4.899 -8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.094 5.716 -7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.478 6.036 -6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.681 5.144 -5.881 1.00 0.00 H new ATOM 260 N SER A 18 12.187 3.359 -3.588 1.00 0.00 N ATOM 261 CA SER A 18 11.039 2.890 -2.819 1.00 0.00 C ATOM 262 C SER A 18 9.891 3.891 -2.896 1.00 0.00 C ATOM 263 O SER A 18 9.788 4.796 -2.069 1.00 0.00 O ATOM 264 CB SER A 18 11.436 2.664 -1.359 1.00 0.00 C ATOM 265 OG SER A 18 10.335 2.204 -0.595 1.00 0.00 O ATOM 0 H SER A 18 12.417 4.342 -3.442 1.00 0.00 H new ATOM 0 HA SER A 18 10.705 1.945 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.247 1.937 -1.308 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.814 3.594 -0.934 1.00 0.00 H new ATOM 0 HG SER A 18 10.616 2.066 0.334 1.00 0.00 H new ATOM 271 N GLU A 19 9.033 3.725 -3.899 1.00 0.00 N ATOM 272 CA GLU A 19 7.895 4.618 -4.090 1.00 0.00 C ATOM 273 C GLU A 19 6.736 4.243 -3.169 1.00 0.00 C ATOM 274 O GLU A 19 5.755 4.978 -3.062 1.00 0.00 O ATOM 275 CB GLU A 19 7.434 4.578 -5.548 1.00 0.00 C ATOM 276 CG GLU A 19 8.517 4.971 -6.539 1.00 0.00 C ATOM 277 CD GLU A 19 9.008 6.391 -6.335 1.00 0.00 C ATOM 278 OE1 GLU A 19 8.186 7.324 -6.446 1.00 0.00 O ATOM 279 OE2 GLU A 19 10.214 6.569 -6.062 1.00 0.00 O ATOM 0 H GLU A 19 9.105 2.980 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 19 8.216 5.629 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.086 3.572 -5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.582 5.247 -5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.357 4.283 -6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.131 4.866 -7.553 1.00 0.00 H new ATOM 286 N GLU A 20 6.856 3.096 -2.508 1.00 0.00 N ATOM 287 CA GLU A 20 5.817 2.623 -1.598 1.00 0.00 C ATOM 288 C GLU A 20 5.698 3.532 -0.378 1.00 0.00 C ATOM 289 O GLU A 20 4.719 3.462 0.366 1.00 0.00 O ATOM 290 CB GLU A 20 6.116 1.191 -1.151 1.00 0.00 C ATOM 291 CG GLU A 20 7.437 1.046 -0.412 1.00 0.00 C ATOM 292 CD GLU A 20 7.707 -0.381 0.026 1.00 0.00 C ATOM 293 OE1 GLU A 20 7.781 -1.267 -0.851 1.00 0.00 O ATOM 294 OE2 GLU A 20 7.846 -0.612 1.245 1.00 0.00 O ATOM 0 H GLU A 20 7.662 2.476 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 20 4.868 2.642 -2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.309 0.845 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.126 0.541 -2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.249 1.384 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.433 1.696 0.463 1.00 0.00 H new ATOM 301 N GLU A 21 6.703 4.376 -0.173 1.00 0.00 N ATOM 302 CA GLU A 21 6.715 5.292 0.964 1.00 0.00 C ATOM 303 C GLU A 21 6.842 6.744 0.499 1.00 0.00 C ATOM 304 O GLU A 21 6.880 7.667 1.312 1.00 0.00 O ATOM 305 CB GLU A 21 7.871 4.935 1.904 1.00 0.00 C ATOM 306 CG GLU A 21 7.888 5.736 3.196 1.00 0.00 C ATOM 307 CD GLU A 21 9.045 5.357 4.099 1.00 0.00 C ATOM 308 OE1 GLU A 21 10.208 5.504 3.668 1.00 0.00 O ATOM 309 OE2 GLU A 21 8.789 4.912 5.238 1.00 0.00 O ATOM 0 H GLU A 21 7.521 4.446 -0.779 1.00 0.00 H new ATOM 0 HA GLU A 21 5.770 5.191 1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.813 3.874 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.814 5.091 1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.948 6.798 2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.950 5.580 3.728 1.00 0.00 H new ATOM 316 N ILE A 22 6.915 6.940 -0.812 1.00 0.00 N ATOM 317 CA ILE A 22 7.046 8.279 -1.375 1.00 0.00 C ATOM 318 C ILE A 22 5.695 8.862 -1.793 1.00 0.00 C ATOM 319 O ILE A 22 5.464 10.064 -1.655 1.00 0.00 O ATOM 320 CB ILE A 22 7.995 8.282 -2.591 1.00 0.00 C ATOM 321 CG1 ILE A 22 9.387 7.784 -2.186 1.00 0.00 C ATOM 322 CG2 ILE A 22 8.082 9.676 -3.200 1.00 0.00 C ATOM 323 CD1 ILE A 22 10.064 8.641 -1.135 1.00 0.00 C ATOM 0 H ILE A 22 6.886 6.191 -1.504 1.00 0.00 H new ATOM 0 HA ILE A 22 7.464 8.904 -0.586 1.00 0.00 H new ATOM 0 HB ILE A 22 7.592 7.604 -3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.302 6.764 -1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.020 7.745 -3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.756 9.658 -4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.091 9.994 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.461 10.376 -2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.044 8.224 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.183 9.656 -1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.453 8.660 -0.232 1.00 0.00 H new ATOM 335 N GLY A 23 4.814 8.016 -2.320 1.00 0.00 N ATOM 336 CA GLY A 23 3.515 8.486 -2.767 1.00 0.00 C ATOM 337 C GLY A 23 2.420 8.312 -1.735 1.00 0.00 C ATOM 338 O GLY A 23 1.668 9.246 -1.455 1.00 0.00 O ATOM 0 H GLY A 23 4.976 7.017 -2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.590 9.541 -3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.236 7.950 -3.674 1.00 0.00 H new ATOM 342 N GLY A 24 2.318 7.109 -1.185 1.00 0.00 N ATOM 343 CA GLY A 24 1.290 6.820 -0.202 1.00 0.00 C ATOM 344 C GLY A 24 1.339 7.727 1.010 1.00 0.00 C ATOM 345 O GLY A 24 0.426 7.722 1.833 1.00 0.00 O ATOM 0 H GLY A 24 2.932 6.324 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.312 6.911 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.392 5.785 0.125 1.00 0.00 H new ATOM 349 N LEU A 25 2.404 8.495 1.137 1.00 0.00 N ATOM 350 CA LEU A 25 2.544 9.392 2.270 1.00 0.00 C ATOM 351 C LEU A 25 1.915 10.758 2.009 1.00 0.00 C ATOM 352 O LEU A 25 1.046 11.198 2.760 1.00 0.00 O ATOM 353 CB LEU A 25 4.019 9.549 2.649 1.00 0.00 C ATOM 354 CG LEU A 25 4.593 8.420 3.514 1.00 0.00 C ATOM 355 CD1 LEU A 25 3.925 8.404 4.880 1.00 0.00 C ATOM 356 CD2 LEU A 25 4.423 7.072 2.828 1.00 0.00 C ATOM 0 H LEU A 25 3.180 8.517 0.476 1.00 0.00 H new ATOM 0 HA LEU A 25 2.005 8.942 3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.607 9.620 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.143 10.492 3.181 1.00 0.00 H new ATOM 0 HG LEU A 25 5.659 8.604 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.344 7.597 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.098 9.357 5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.853 8.247 4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.838 6.287 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.363 6.881 2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.946 7.082 1.872 1.00 0.00 H new ATOM 368 N LYS A 26 2.395 11.450 0.980 1.00 0.00 N ATOM 369 CA LYS A 26 1.908 12.794 0.679 1.00 0.00 C ATOM 370 C LYS A 26 0.742 12.866 -0.320 1.00 0.00 C ATOM 371 O LYS A 26 -0.354 13.297 0.035 1.00 0.00 O ATOM 372 CB LYS A 26 3.066 13.643 0.159 1.00 0.00 C ATOM 373 CG LYS A 26 4.238 13.725 1.126 1.00 0.00 C ATOM 374 CD LYS A 26 5.368 14.573 0.565 1.00 0.00 C ATOM 375 CE LYS A 26 6.544 14.643 1.528 1.00 0.00 C ATOM 376 NZ LYS A 26 6.172 15.289 2.817 1.00 0.00 N ATOM 0 H LYS A 26 3.115 11.107 0.344 1.00 0.00 H new ATOM 0 HA LYS A 26 1.509 13.174 1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.414 13.229 -0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.704 14.650 -0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.901 14.147 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.606 12.721 1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.700 14.156 -0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.003 15.580 0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.915 13.636 1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.359 15.200 1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.032 15.486 3.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.671 16.180 2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.552 14.653 3.358 1.00 0.00 H new ATOM 390 N GLU A 27 1.007 12.540 -1.585 1.00 0.00 N ATOM 391 CA GLU A 27 -0.007 12.674 -2.643 1.00 0.00 C ATOM 392 C GLU A 27 -0.890 11.448 -2.891 1.00 0.00 C ATOM 393 O GLU A 27 -2.098 11.482 -2.663 1.00 0.00 O ATOM 394 CB GLU A 27 0.698 13.006 -3.952 1.00 0.00 C ATOM 395 CG GLU A 27 1.638 14.197 -3.858 1.00 0.00 C ATOM 396 CD GLU A 27 2.346 14.485 -5.168 1.00 0.00 C ATOM 397 OE1 GLU A 27 3.072 13.595 -5.659 1.00 0.00 O ATOM 398 OE2 GLU A 27 2.176 15.602 -5.702 1.00 0.00 O ATOM 0 H GLU A 27 1.907 12.183 -1.906 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.677 13.459 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.263 12.134 -4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.052 13.207 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.073 15.078 -3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.380 14.009 -3.082 1.00 0.00 H new ATOM 405 N LEU A 28 -0.276 10.403 -3.440 1.00 0.00 N ATOM 406 CA LEU A 28 -0.981 9.179 -3.832 1.00 0.00 C ATOM 407 C LEU A 28 -2.082 8.749 -2.869 1.00 0.00 C ATOM 408 O LEU A 28 -3.252 8.686 -3.249 1.00 0.00 O ATOM 409 CB LEU A 28 0.013 8.029 -4.021 1.00 0.00 C ATOM 410 CG LEU A 28 0.791 8.044 -5.343 1.00 0.00 C ATOM 411 CD1 LEU A 28 1.639 9.301 -5.465 1.00 0.00 C ATOM 412 CD2 LEU A 28 1.659 6.801 -5.461 1.00 0.00 C ATOM 0 H LEU A 28 0.726 10.378 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.476 9.419 -4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.727 8.050 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.530 7.086 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 28 0.070 8.045 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.179 9.285 -6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.995 10.179 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.351 9.341 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.205 6.826 -6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.367 6.772 -4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.028 5.913 -5.431 1.00 0.00 H new ATOM 424 N PHE A 29 -1.710 8.408 -1.649 1.00 0.00 N ATOM 425 CA PHE A 29 -2.687 7.929 -0.671 1.00 0.00 C ATOM 426 C PHE A 29 -3.606 9.040 -0.169 1.00 0.00 C ATOM 427 O PHE A 29 -4.826 8.935 -0.267 1.00 0.00 O ATOM 428 CB PHE A 29 -1.975 7.283 0.510 1.00 0.00 C ATOM 429 CG PHE A 29 -2.715 6.119 1.096 1.00 0.00 C ATOM 430 CD1 PHE A 29 -2.927 4.972 0.348 1.00 0.00 C ATOM 431 CD2 PHE A 29 -3.196 6.169 2.391 1.00 0.00 C ATOM 432 CE1 PHE A 29 -3.605 3.896 0.883 1.00 0.00 C ATOM 433 CE2 PHE A 29 -3.875 5.096 2.933 1.00 0.00 C ATOM 434 CZ PHE A 29 -4.080 3.958 2.178 1.00 0.00 C ATOM 0 H PHE A 29 -0.750 8.451 -1.308 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.309 7.193 -1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.988 6.951 0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.823 8.033 1.286 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.557 4.920 -0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.039 7.057 2.985 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.764 3.007 0.290 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.245 5.147 3.946 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.611 3.118 2.600 1.00 0.00 H new ATOM 444 N LYS A 30 -3.018 10.087 0.393 1.00 0.00 N ATOM 445 CA LYS A 30 -3.786 11.209 0.937 1.00 0.00 C ATOM 446 C LYS A 30 -4.862 11.707 -0.032 1.00 0.00 C ATOM 447 O LYS A 30 -5.853 12.302 0.391 1.00 0.00 O ATOM 448 CB LYS A 30 -2.849 12.369 1.279 1.00 0.00 C ATOM 449 CG LYS A 30 -1.799 12.034 2.326 1.00 0.00 C ATOM 450 CD LYS A 30 -2.405 11.897 3.712 1.00 0.00 C ATOM 451 CE LYS A 30 -1.331 11.658 4.762 1.00 0.00 C ATOM 452 NZ LYS A 30 -1.897 11.619 6.139 1.00 0.00 N ATOM 0 H LYS A 30 -2.007 10.187 0.486 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.285 10.844 1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.347 12.696 0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.445 13.210 1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.299 11.104 2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.037 12.813 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.963 12.800 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.116 11.071 3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.822 10.717 4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.581 12.447 4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.653 12.497 6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.932 11.527 6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.503 10.806 6.654 1.00 0.00 H new ATOM 466 N MET A 31 -4.657 11.489 -1.329 1.00 0.00 N ATOM 467 CA MET A 31 -5.610 11.949 -2.340 1.00 0.00 C ATOM 468 C MET A 31 -6.683 10.906 -2.651 1.00 0.00 C ATOM 469 O MET A 31 -7.758 11.246 -3.147 1.00 0.00 O ATOM 470 CB MET A 31 -4.870 12.336 -3.621 1.00 0.00 C ATOM 471 CG MET A 31 -5.782 12.858 -4.720 1.00 0.00 C ATOM 472 SD MET A 31 -4.877 13.366 -6.194 1.00 0.00 S ATOM 473 CE MET A 31 -3.856 14.677 -5.526 1.00 0.00 C ATOM 0 H MET A 31 -3.845 11.000 -1.705 1.00 0.00 H new ATOM 0 HA MET A 31 -6.118 12.821 -1.929 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.127 13.098 -3.385 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.328 11.467 -3.993 1.00 0.00 H new ATOM 0 HG2 MET A 31 -6.500 12.083 -4.989 1.00 0.00 H new ATOM 0 HG3 MET A 31 -6.354 13.705 -4.340 1.00 0.00 H new ATOM 0 HE1 MET A 31 -3.541 15.340 -6.332 1.00 0.00 H new ATOM 0 HE2 MET A 31 -4.427 15.245 -4.792 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.977 14.245 -5.047 1.00 0.00 H new ATOM 483 N ILE A 32 -6.390 9.640 -2.375 1.00 0.00 N ATOM 484 CA ILE A 32 -7.340 8.568 -2.650 1.00 0.00 C ATOM 485 C ILE A 32 -8.219 8.296 -1.435 1.00 0.00 C ATOM 486 O ILE A 32 -9.422 8.067 -1.571 1.00 0.00 O ATOM 487 CB ILE A 32 -6.608 7.276 -3.100 1.00 0.00 C ATOM 488 CG1 ILE A 32 -7.599 6.222 -3.620 1.00 0.00 C ATOM 489 CG2 ILE A 32 -5.767 6.708 -1.965 1.00 0.00 C ATOM 490 CD1 ILE A 32 -8.398 5.525 -2.539 1.00 0.00 C ATOM 0 H ILE A 32 -5.509 9.332 -1.964 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.983 8.893 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.943 7.542 -3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.290 6.702 -4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.048 5.472 -4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.263 5.803 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.024 7.444 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.411 6.470 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.071 4.799 -2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.719 5.012 -1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.980 6.261 -1.985 1.00 0.00 H new ATOM 502 N ASP A 33 -7.621 8.334 -0.251 1.00 0.00 N ATOM 503 CA ASP A 33 -8.361 8.099 0.980 1.00 0.00 C ATOM 504 C ASP A 33 -9.571 9.024 1.059 1.00 0.00 C ATOM 505 O ASP A 33 -9.445 10.242 0.935 1.00 0.00 O ATOM 506 CB ASP A 33 -7.454 8.303 2.195 1.00 0.00 C ATOM 507 CG ASP A 33 -8.176 8.049 3.502 1.00 0.00 C ATOM 508 OD1 ASP A 33 -8.774 6.962 3.648 1.00 0.00 O ATOM 509 OD2 ASP A 33 -8.137 8.931 4.383 1.00 0.00 O ATOM 0 H ASP A 33 -6.628 8.525 -0.118 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.713 7.068 0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.596 7.635 2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.066 9.322 2.189 1.00 0.00 H new ATOM 514 N THR A 34 -10.744 8.433 1.261 1.00 0.00 N ATOM 515 CA THR A 34 -11.983 9.196 1.353 1.00 0.00 C ATOM 516 C THR A 34 -11.924 10.148 2.537 1.00 0.00 C ATOM 517 O THR A 34 -12.716 11.085 2.643 1.00 0.00 O ATOM 518 CB THR A 34 -13.178 8.249 1.494 1.00 0.00 C ATOM 519 OG1 THR A 34 -13.236 7.352 0.400 1.00 0.00 O ATOM 520 CG2 THR A 34 -14.511 8.964 1.568 1.00 0.00 C ATOM 0 H THR A 34 -10.862 7.425 1.364 1.00 0.00 H new ATOM 0 HA THR A 34 -12.105 9.779 0.440 1.00 0.00 H new ATOM 0 HB THR A 34 -13.016 7.722 2.434 1.00 0.00 H new ATOM 0 HG1 THR A 34 -14.005 6.754 0.508 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.312 8.231 1.667 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.519 9.630 2.431 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.662 9.546 0.659 1.00 0.00 H new ATOM 528 N ASP A 35 -10.971 9.896 3.424 1.00 0.00 N ATOM 529 CA ASP A 35 -10.790 10.718 4.606 1.00 0.00 C ATOM 530 C ASP A 35 -9.593 11.640 4.469 1.00 0.00 C ATOM 531 O ASP A 35 -9.430 12.570 5.259 1.00 0.00 O ATOM 532 CB ASP A 35 -10.630 9.836 5.841 1.00 0.00 C ATOM 533 CG ASP A 35 -11.929 9.178 6.258 1.00 0.00 C ATOM 534 OD1 ASP A 35 -12.955 9.402 5.580 1.00 0.00 O ATOM 535 OD2 ASP A 35 -11.922 8.438 7.265 1.00 0.00 O ATOM 0 H ASP A 35 -10.309 9.124 3.344 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.679 11.339 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.885 9.066 5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.250 10.438 6.666 1.00 0.00 H new ATOM 540 N ASN A 36 -8.748 11.379 3.474 1.00 0.00 N ATOM 541 CA ASN A 36 -7.561 12.192 3.265 1.00 0.00 C ATOM 542 C ASN A 36 -6.757 12.269 4.559 1.00 0.00 C ATOM 543 O ASN A 36 -5.893 13.131 4.720 1.00 0.00 O ATOM 544 CB ASN A 36 -7.950 13.598 2.802 1.00 0.00 C ATOM 545 CG ASN A 36 -8.787 13.580 1.538 1.00 0.00 C ATOM 546 OD1 ASN A 36 -8.352 13.090 0.496 1.00 0.00 O ATOM 547 ND2 ASN A 36 -9.998 14.118 1.623 1.00 0.00 N ATOM 0 H ASN A 36 -8.865 10.616 2.807 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.950 11.731 2.489 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.506 14.098 3.595 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.047 14.183 2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.607 14.136 0.805 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -10.320 14.513 2.507 1.00 0.00 H new ATOM 554 N SER A 37 -7.056 11.353 5.480 1.00 0.00 N ATOM 555 CA SER A 37 -6.373 11.304 6.763 1.00 0.00 C ATOM 556 C SER A 37 -5.031 10.618 6.603 1.00 0.00 C ATOM 557 O SER A 37 -4.136 10.763 7.436 1.00 0.00 O ATOM 558 CB SER A 37 -7.228 10.563 7.793 1.00 0.00 C ATOM 559 OG SER A 37 -7.564 9.262 7.337 1.00 0.00 O ATOM 0 H SER A 37 -7.770 10.635 5.356 1.00 0.00 H new ATOM 0 HA SER A 37 -6.212 12.322 7.118 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.687 10.492 8.736 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.138 11.129 7.989 1.00 0.00 H new ATOM 0 HG SER A 37 -8.109 8.809 8.014 1.00 0.00 H new ATOM 565 N GLY A 38 -4.904 9.873 5.514 1.00 0.00 N ATOM 566 CA GLY A 38 -3.665 9.168 5.238 1.00 0.00 C ATOM 567 C GLY A 38 -3.781 7.676 5.455 1.00 0.00 C ATOM 568 O GLY A 38 -2.815 6.936 5.268 1.00 0.00 O ATOM 0 H GLY A 38 -5.636 9.743 4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.365 9.359 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.876 9.564 5.878 1.00 0.00 H new ATOM 572 N THR A 39 -4.969 7.234 5.844 1.00 0.00 N ATOM 573 CA THR A 39 -5.222 5.821 6.080 1.00 0.00 C ATOM 574 C THR A 39 -6.589 5.442 5.532 1.00 0.00 C ATOM 575 O THR A 39 -7.578 6.127 5.788 1.00 0.00 O ATOM 576 CB THR A 39 -5.148 5.504 7.575 1.00 0.00 C ATOM 577 OG1 THR A 39 -6.090 6.275 8.298 1.00 0.00 O ATOM 578 CG2 THR A 39 -3.783 5.765 8.175 1.00 0.00 C ATOM 0 H THR A 39 -5.776 7.838 6.003 1.00 0.00 H new ATOM 0 HA THR A 39 -4.457 5.239 5.566 1.00 0.00 H new ATOM 0 HB THR A 39 -5.365 4.439 7.656 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.830 6.526 7.707 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.799 5.520 9.237 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.040 5.147 7.671 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.525 6.817 8.049 1.00 0.00 H new ATOM 586 N ILE A 40 -6.642 4.355 4.774 1.00 0.00 N ATOM 587 CA ILE A 40 -7.900 3.907 4.191 1.00 0.00 C ATOM 588 C ILE A 40 -8.450 2.700 4.941 1.00 0.00 C ATOM 589 O ILE A 40 -7.699 1.813 5.341 1.00 0.00 O ATOM 590 CB ILE A 40 -7.728 3.545 2.699 1.00 0.00 C ATOM 591 CG1 ILE A 40 -7.520 4.809 1.868 1.00 0.00 C ATOM 592 CG2 ILE A 40 -8.937 2.770 2.189 1.00 0.00 C ATOM 593 CD1 ILE A 40 -7.025 4.541 0.463 1.00 0.00 C ATOM 0 H ILE A 40 -5.836 3.771 4.550 1.00 0.00 H new ATOM 0 HA ILE A 40 -8.606 4.734 4.275 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.847 2.911 2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.461 5.356 1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.805 5.455 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.795 2.525 1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.048 1.850 2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.834 3.379 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.901 5.486 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.068 4.022 0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.749 3.922 -0.066 1.00 0.00 H new ATOM 605 N THR A 41 -9.765 2.668 5.125 1.00 0.00 N ATOM 606 CA THR A 41 -10.403 1.561 5.823 1.00 0.00 C ATOM 607 C THR A 41 -11.342 0.797 4.908 1.00 0.00 C ATOM 608 O THR A 41 -11.708 1.272 3.842 1.00 0.00 O ATOM 609 CB THR A 41 -11.169 2.056 7.048 1.00 0.00 C ATOM 610 OG1 THR A 41 -11.966 1.020 7.596 1.00 0.00 O ATOM 611 CG2 THR A 41 -12.074 3.235 6.761 1.00 0.00 C ATOM 0 H THR A 41 -10.406 3.392 4.802 1.00 0.00 H new ATOM 0 HA THR A 41 -9.611 0.886 6.148 1.00 0.00 H new ATOM 0 HB THR A 41 -10.402 2.378 7.753 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.447 1.357 8.380 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.586 3.532 7.676 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.478 4.069 6.391 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.811 2.953 6.009 1.00 0.00 H new ATOM 619 N PHE A 42 -11.717 -0.388 5.361 1.00 0.00 N ATOM 620 CA PHE A 42 -12.617 -1.286 4.649 1.00 0.00 C ATOM 621 C PHE A 42 -13.739 -0.541 3.925 1.00 0.00 C ATOM 622 O PHE A 42 -13.856 -0.622 2.702 1.00 0.00 O ATOM 623 CB PHE A 42 -13.207 -2.275 5.656 1.00 0.00 C ATOM 624 CG PHE A 42 -14.286 -3.148 5.099 1.00 0.00 C ATOM 625 CD1 PHE A 42 -14.064 -3.918 3.973 1.00 0.00 C ATOM 626 CD2 PHE A 42 -15.527 -3.196 5.707 1.00 0.00 C ATOM 627 CE1 PHE A 42 -15.060 -4.721 3.462 1.00 0.00 C ATOM 628 CE2 PHE A 42 -16.528 -3.996 5.202 1.00 0.00 C ATOM 629 CZ PHE A 42 -16.296 -4.762 4.076 1.00 0.00 C ATOM 0 H PHE A 42 -11.398 -0.763 6.254 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.045 -1.807 3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -12.406 -2.907 6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.607 -1.718 6.503 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -13.099 -3.890 3.488 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -15.713 -2.599 6.588 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -14.874 -5.318 2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.493 -4.024 5.686 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.079 -5.391 3.677 1.00 0.00 H new ATOM 639 N ASP A 43 -14.569 0.167 4.685 1.00 0.00 N ATOM 640 CA ASP A 43 -15.690 0.911 4.114 1.00 0.00 C ATOM 641 C ASP A 43 -15.229 1.808 2.968 1.00 0.00 C ATOM 642 O ASP A 43 -15.923 1.953 1.961 1.00 0.00 O ATOM 643 CB ASP A 43 -16.370 1.754 5.196 1.00 0.00 C ATOM 644 CG ASP A 43 -17.599 2.483 4.685 1.00 0.00 C ATOM 645 OD1 ASP A 43 -17.456 3.330 3.778 1.00 0.00 O ATOM 646 OD2 ASP A 43 -18.706 2.206 5.193 1.00 0.00 O ATOM 0 H ASP A 43 -14.487 0.242 5.699 1.00 0.00 H new ATOM 0 HA ASP A 43 -16.405 0.191 3.717 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -16.655 1.109 6.028 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -15.657 2.481 5.586 1.00 0.00 H new ATOM 651 N GLU A 44 -14.058 2.408 3.133 1.00 0.00 N ATOM 652 CA GLU A 44 -13.497 3.296 2.119 1.00 0.00 C ATOM 653 C GLU A 44 -12.649 2.515 1.123 1.00 0.00 C ATOM 654 O GLU A 44 -12.296 3.023 0.059 1.00 0.00 O ATOM 655 CB GLU A 44 -12.653 4.378 2.793 1.00 0.00 C ATOM 656 CG GLU A 44 -13.401 5.124 3.884 1.00 0.00 C ATOM 657 CD GLU A 44 -12.516 6.074 4.667 1.00 0.00 C ATOM 658 OE1 GLU A 44 -11.314 6.181 4.340 1.00 0.00 O ATOM 659 OE2 GLU A 44 -13.027 6.709 5.611 1.00 0.00 O ATOM 0 H GLU A 44 -13.475 2.296 3.962 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.317 3.764 1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.761 3.921 3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.317 5.090 2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.220 5.686 3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.846 4.403 4.570 1.00 0.00 H new ATOM 666 N LEU A 45 -12.323 1.280 1.481 1.00 0.00 N ATOM 667 CA LEU A 45 -11.514 0.425 0.629 1.00 0.00 C ATOM 668 C LEU A 45 -12.320 -0.048 -0.576 1.00 0.00 C ATOM 669 O LEU A 45 -11.869 0.047 -1.718 1.00 0.00 O ATOM 670 CB LEU A 45 -10.996 -0.784 1.406 1.00 0.00 C ATOM 671 CG LEU A 45 -10.023 -1.669 0.624 1.00 0.00 C ATOM 672 CD1 LEU A 45 -8.748 -0.905 0.302 1.00 0.00 C ATOM 673 CD2 LEU A 45 -9.706 -2.933 1.402 1.00 0.00 C ATOM 0 H LEU A 45 -12.609 0.848 2.360 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.663 1.010 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.501 -0.434 2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.846 -1.389 1.721 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.498 -1.955 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.068 -1.550 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.991 -0.029 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.270 -0.587 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.013 -3.549 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.252 -2.668 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.625 -3.491 1.580 1.00 0.00 H new ATOM 685 N LYS A 46 -13.516 -0.563 -0.302 1.00 0.00 N ATOM 686 CA LYS A 46 -14.405 -1.061 -1.342 1.00 0.00 C ATOM 687 C LYS A 46 -14.770 0.040 -2.327 1.00 0.00 C ATOM 688 O LYS A 46 -15.147 -0.241 -3.458 1.00 0.00 O ATOM 689 CB LYS A 46 -15.673 -1.642 -0.715 1.00 0.00 C ATOM 690 CG LYS A 46 -16.413 -0.659 0.176 1.00 0.00 C ATOM 691 CD LYS A 46 -17.647 -1.290 0.799 1.00 0.00 C ATOM 692 CE LYS A 46 -18.355 -0.322 1.733 1.00 0.00 C ATOM 693 NZ LYS A 46 -19.562 -0.934 2.355 1.00 0.00 N ATOM 0 H LYS A 46 -13.892 -0.646 0.642 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.881 -1.845 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.342 -1.975 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.409 -2.523 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.746 -0.307 0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.705 0.214 -0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.332 -1.606 0.012 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -17.360 -2.186 1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -17.666 -0.002 2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -18.645 0.571 1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.017 -0.242 2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.231 -1.216 1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -19.282 -1.771 2.905 1.00 0.00 H new ATOM 707 N ASP A 47 -14.649 1.293 -1.892 1.00 0.00 N ATOM 708 CA ASP A 47 -14.960 2.438 -2.741 1.00 0.00 C ATOM 709 C ASP A 47 -14.135 2.390 -4.020 1.00 0.00 C ATOM 710 O ASP A 47 -14.460 3.046 -5.010 1.00 0.00 O ATOM 711 CB ASP A 47 -14.688 3.744 -1.991 1.00 0.00 C ATOM 712 CG ASP A 47 -14.983 4.969 -2.834 1.00 0.00 C ATOM 713 OD1 ASP A 47 -16.144 5.127 -3.268 1.00 0.00 O ATOM 714 OD2 ASP A 47 -14.053 5.772 -3.060 1.00 0.00 O ATOM 0 H ASP A 47 -14.337 1.540 -0.953 1.00 0.00 H new ATOM 0 HA ASP A 47 -16.017 2.396 -3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.296 3.774 -1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.645 3.767 -1.674 1.00 0.00 H new ATOM 719 N GLY A 48 -13.074 1.592 -3.992 1.00 0.00 N ATOM 720 CA GLY A 48 -12.222 1.449 -5.156 1.00 0.00 C ATOM 721 C GLY A 48 -12.925 0.687 -6.254 1.00 0.00 C ATOM 722 O GLY A 48 -12.958 1.121 -7.406 1.00 0.00 O ATOM 0 H GLY A 48 -12.789 1.041 -3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.932 2.434 -5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.305 0.929 -4.878 1.00 0.00 H new ATOM 726 N LEU A 49 -13.512 -0.445 -5.884 1.00 0.00 N ATOM 727 CA LEU A 49 -14.251 -1.268 -6.827 1.00 0.00 C ATOM 728 C LEU A 49 -15.708 -0.832 -6.848 1.00 0.00 C ATOM 729 O LEU A 49 -16.469 -1.199 -7.742 1.00 0.00 O ATOM 730 CB LEU A 49 -14.153 -2.753 -6.455 1.00 0.00 C ATOM 731 CG LEU A 49 -12.756 -3.376 -6.559 1.00 0.00 C ATOM 732 CD1 LEU A 49 -12.178 -3.166 -7.950 1.00 0.00 C ATOM 733 CD2 LEU A 49 -11.825 -2.808 -5.497 1.00 0.00 C ATOM 0 H LEU A 49 -13.489 -0.813 -4.933 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.816 -1.138 -7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -14.510 -2.876 -5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -14.830 -3.315 -7.099 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.850 -4.448 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.186 -3.615 -8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -12.829 -3.634 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -12.104 -2.098 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.841 -3.267 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.737 -1.730 -5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.229 -3.020 -4.507 1.00 0.00 H new ATOM 745 N LYS A 50 -16.086 -0.037 -5.848 1.00 0.00 N ATOM 746 CA LYS A 50 -17.448 0.462 -5.738 1.00 0.00 C ATOM 747 C LYS A 50 -17.691 1.577 -6.744 1.00 0.00 C ATOM 748 O LYS A 50 -18.768 1.672 -7.332 1.00 0.00 O ATOM 749 CB LYS A 50 -17.726 0.968 -4.320 1.00 0.00 C ATOM 750 CG LYS A 50 -19.131 1.522 -4.136 1.00 0.00 C ATOM 751 CD LYS A 50 -19.362 1.998 -2.711 1.00 0.00 C ATOM 752 CE LYS A 50 -20.762 2.565 -2.535 1.00 0.00 C ATOM 753 NZ LYS A 50 -21.009 3.013 -1.136 1.00 0.00 N ATOM 0 H LYS A 50 -15.463 0.274 -5.102 1.00 0.00 H new ATOM 0 HA LYS A 50 -18.128 -0.362 -5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.571 0.151 -3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -17.003 1.745 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.290 2.350 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.862 0.753 -4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -19.215 1.168 -2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.625 2.759 -2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.901 3.405 -3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -21.497 1.808 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -21.974 3.393 -1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.901 2.206 -0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.324 3.754 -0.883 1.00 0.00 H new ATOM 767 N ARG A 51 -16.679 2.421 -6.929 1.00 0.00 N ATOM 768 CA ARG A 51 -16.771 3.541 -7.864 1.00 0.00 C ATOM 769 C ARG A 51 -17.394 3.107 -9.191 1.00 0.00 C ATOM 770 O ARG A 51 -18.169 3.849 -9.793 1.00 0.00 O ATOM 771 CB ARG A 51 -15.387 4.145 -8.112 1.00 0.00 C ATOM 772 CG ARG A 51 -15.408 5.346 -9.045 1.00 0.00 C ATOM 773 CD ARG A 51 -14.015 5.921 -9.251 1.00 0.00 C ATOM 774 NE ARG A 51 -13.112 4.958 -9.876 1.00 0.00 N ATOM 775 CZ ARG A 51 -11.846 5.226 -10.184 1.00 0.00 C ATOM 776 NH1 ARG A 51 -11.336 6.423 -9.926 1.00 0.00 N ATOM 777 NH2 ARG A 51 -11.088 4.296 -10.751 1.00 0.00 N ATOM 0 H ARG A 51 -15.785 2.351 -6.444 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.416 4.296 -7.414 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -14.953 4.444 -7.158 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.735 3.379 -8.533 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.827 5.052 -10.008 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.062 6.115 -8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.080 6.814 -9.873 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.605 6.231 -8.290 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.472 4.028 -10.088 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.915 7.141 -9.490 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.365 6.626 -10.163 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.476 3.374 -10.951 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.117 4.503 -10.987 1.00 0.00 H new ATOM 791 N VAL A 52 -17.052 1.901 -9.640 1.00 0.00 N ATOM 792 CA VAL A 52 -17.585 1.377 -10.894 1.00 0.00 C ATOM 793 C VAL A 52 -18.886 0.613 -10.663 1.00 0.00 C ATOM 794 O VAL A 52 -19.761 0.584 -11.530 1.00 0.00 O ATOM 795 CB VAL A 52 -16.570 0.458 -11.606 1.00 0.00 C ATOM 796 CG1 VAL A 52 -15.315 1.235 -11.973 1.00 0.00 C ATOM 797 CG2 VAL A 52 -16.222 -0.743 -10.738 1.00 0.00 C ATOM 0 H VAL A 52 -16.411 1.272 -9.156 1.00 0.00 H new ATOM 0 HA VAL A 52 -17.784 2.237 -11.534 1.00 0.00 H new ATOM 0 HB VAL A 52 -17.030 0.090 -12.523 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.610 0.572 -12.474 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -15.578 2.056 -12.640 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.857 1.635 -11.068 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -15.505 -1.375 -11.262 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -15.785 -0.400 -9.800 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.126 -1.315 -10.529 1.00 0.00 H new ATOM 807 N GLY A 53 -19.009 0.006 -9.483 1.00 0.00 N ATOM 808 CA GLY A 53 -20.207 -0.744 -9.140 1.00 0.00 C ATOM 809 C GLY A 53 -20.680 -1.661 -10.253 1.00 0.00 C ATOM 810 O GLY A 53 -21.862 -1.668 -10.596 1.00 0.00 O ATOM 0 H GLY A 53 -18.295 0.021 -8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -20.012 -1.338 -8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -21.006 -0.045 -8.890 1.00 0.00 H new ATOM 814 N SER A 54 -19.760 -2.438 -10.818 1.00 0.00 N ATOM 815 CA SER A 54 -20.102 -3.360 -11.897 1.00 0.00 C ATOM 816 C SER A 54 -20.742 -4.629 -11.341 1.00 0.00 C ATOM 817 O SER A 54 -21.965 -4.762 -11.320 1.00 0.00 O ATOM 818 CB SER A 54 -18.855 -3.712 -12.711 1.00 0.00 C ATOM 819 OG SER A 54 -19.170 -4.597 -13.773 1.00 0.00 O ATOM 0 H SER A 54 -18.776 -2.448 -10.548 1.00 0.00 H new ATOM 0 HA SER A 54 -20.822 -2.868 -12.551 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.410 -2.801 -13.112 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.110 -4.171 -12.061 1.00 0.00 H new ATOM 0 HG SER A 54 -18.356 -4.804 -14.278 1.00 0.00 H new ATOM 825 N GLU A 55 -19.905 -5.554 -10.884 1.00 0.00 N ATOM 826 CA GLU A 55 -20.380 -6.810 -10.317 1.00 0.00 C ATOM 827 C GLU A 55 -19.391 -7.310 -9.268 1.00 0.00 C ATOM 828 O GLU A 55 -19.102 -8.504 -9.176 1.00 0.00 O ATOM 829 CB GLU A 55 -20.570 -7.857 -11.420 1.00 0.00 C ATOM 830 CG GLU A 55 -21.266 -9.125 -10.947 1.00 0.00 C ATOM 831 CD GLU A 55 -21.455 -10.143 -12.056 1.00 0.00 C ATOM 832 OE1 GLU A 55 -21.038 -9.861 -13.199 1.00 0.00 O ATOM 833 OE2 GLU A 55 -22.021 -11.222 -11.781 1.00 0.00 O ATOM 0 H GLU A 55 -18.890 -5.456 -10.896 1.00 0.00 H new ATOM 0 HA GLU A 55 -21.345 -6.641 -9.839 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -21.149 -7.416 -12.231 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -19.595 -8.120 -11.831 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -20.684 -9.575 -10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -22.239 -8.865 -10.529 1.00 0.00 H new ATOM 840 N LEU A 56 -18.867 -6.374 -8.485 1.00 0.00 N ATOM 841 CA LEU A 56 -17.900 -6.692 -7.443 1.00 0.00 C ATOM 842 C LEU A 56 -18.473 -7.644 -6.407 1.00 0.00 C ATOM 843 O LEU A 56 -19.643 -8.024 -6.462 1.00 0.00 O ATOM 844 CB LEU A 56 -17.426 -5.412 -6.746 1.00 0.00 C ATOM 845 CG LEU A 56 -18.533 -4.434 -6.332 1.00 0.00 C ATOM 846 CD1 LEU A 56 -19.375 -5.002 -5.198 1.00 0.00 C ATOM 847 CD2 LEU A 56 -17.934 -3.097 -5.928 1.00 0.00 C ATOM 0 H LEU A 56 -19.098 -5.383 -8.554 1.00 0.00 H new ATOM 0 HA LEU A 56 -17.057 -7.184 -7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -16.862 -5.692 -5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -16.736 -4.892 -7.411 1.00 0.00 H new ATOM 0 HG LEU A 56 -19.186 -4.282 -7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -20.151 -4.286 -4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.838 -5.934 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -18.739 -5.193 -4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.732 -2.414 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.255 -3.241 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -17.384 -2.675 -6.770 1.00 0.00 H new ATOM 859 N MET A 57 -17.632 -8.000 -5.448 1.00 0.00 N ATOM 860 CA MET A 57 -18.022 -8.882 -4.365 1.00 0.00 C ATOM 861 C MET A 57 -17.704 -8.222 -3.030 1.00 0.00 C ATOM 862 O MET A 57 -16.540 -8.115 -2.646 1.00 0.00 O ATOM 863 CB MET A 57 -17.293 -10.224 -4.481 1.00 0.00 C ATOM 864 CG MET A 57 -17.667 -11.219 -3.394 1.00 0.00 C ATOM 865 SD MET A 57 -16.792 -12.788 -3.556 1.00 0.00 S ATOM 866 CE MET A 57 -17.320 -13.308 -5.187 1.00 0.00 C ATOM 0 H MET A 57 -16.663 -7.685 -5.401 1.00 0.00 H new ATOM 0 HA MET A 57 -19.094 -9.068 -4.426 1.00 0.00 H new ATOM 0 HB2 MET A 57 -17.512 -10.663 -5.454 1.00 0.00 H new ATOM 0 HB3 MET A 57 -16.218 -10.048 -4.445 1.00 0.00 H new ATOM 0 HG2 MET A 57 -17.448 -10.785 -2.419 1.00 0.00 H new ATOM 0 HG3 MET A 57 -18.741 -11.401 -3.428 1.00 0.00 H new ATOM 0 HE1 MET A 57 -17.169 -14.382 -5.293 1.00 0.00 H new ATOM 0 HE2 MET A 57 -18.377 -13.075 -5.319 1.00 0.00 H new ATOM 0 HE3 MET A 57 -16.736 -12.783 -5.943 1.00 0.00 H new ATOM 876 N GLU A 58 -18.741 -7.773 -2.328 1.00 0.00 N ATOM 877 CA GLU A 58 -18.558 -7.120 -1.037 1.00 0.00 C ATOM 878 C GLU A 58 -17.834 -8.053 -0.072 1.00 0.00 C ATOM 879 O GLU A 58 -17.358 -7.633 0.983 1.00 0.00 O ATOM 880 CB GLU A 58 -19.913 -6.701 -0.456 1.00 0.00 C ATOM 881 CG GLU A 58 -19.808 -5.917 0.842 1.00 0.00 C ATOM 882 CD GLU A 58 -21.163 -5.499 1.381 1.00 0.00 C ATOM 883 OE1 GLU A 58 -21.993 -6.391 1.655 1.00 0.00 O ATOM 884 OE2 GLU A 58 -21.393 -4.280 1.530 1.00 0.00 O ATOM 0 H GLU A 58 -19.712 -7.849 -2.630 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.950 -6.227 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -20.442 -6.097 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -20.515 -7.593 -0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.295 -6.524 1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.197 -5.030 0.678 1.00 0.00 H new ATOM 891 N SER A 59 -17.747 -9.322 -0.457 1.00 0.00 N ATOM 892 CA SER A 59 -17.073 -10.330 0.353 1.00 0.00 C ATOM 893 C SER A 59 -15.583 -10.377 0.027 1.00 0.00 C ATOM 894 O SER A 59 -14.761 -10.735 0.870 1.00 0.00 O ATOM 895 CB SER A 59 -17.703 -11.705 0.122 1.00 0.00 C ATOM 896 OG SER A 59 -17.061 -12.698 0.903 1.00 0.00 O ATOM 0 H SER A 59 -18.137 -9.678 -1.330 1.00 0.00 H new ATOM 0 HA SER A 59 -17.190 -10.058 1.402 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.763 -11.670 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.634 -11.967 -0.934 1.00 0.00 H new ATOM 0 HG SER A 59 -17.483 -13.567 0.739 1.00 0.00 H new ATOM 902 N GLU A 60 -15.246 -10.011 -1.206 1.00 0.00 N ATOM 903 CA GLU A 60 -13.861 -10.005 -1.657 1.00 0.00 C ATOM 904 C GLU A 60 -13.078 -8.888 -0.977 1.00 0.00 C ATOM 905 O GLU A 60 -11.886 -9.031 -0.707 1.00 0.00 O ATOM 906 CB GLU A 60 -13.802 -9.837 -3.177 1.00 0.00 C ATOM 907 CG GLU A 60 -12.389 -9.819 -3.736 1.00 0.00 C ATOM 908 CD GLU A 60 -12.361 -9.661 -5.244 1.00 0.00 C ATOM 909 OE1 GLU A 60 -12.871 -8.635 -5.743 1.00 0.00 O ATOM 910 OE2 GLU A 60 -11.830 -10.562 -5.926 1.00 0.00 O ATOM 0 H GLU A 60 -15.918 -9.713 -1.913 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.408 -10.959 -1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.358 -10.649 -3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.303 -8.909 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.831 -9.002 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.882 -10.744 -3.462 1.00 0.00 H new ATOM 917 N ILE A 61 -13.758 -7.779 -0.700 1.00 0.00 N ATOM 918 CA ILE A 61 -13.127 -6.637 -0.048 1.00 0.00 C ATOM 919 C ILE A 61 -12.573 -7.033 1.319 1.00 0.00 C ATOM 920 O ILE A 61 -11.715 -6.348 1.872 1.00 0.00 O ATOM 921 CB ILE A 61 -14.113 -5.463 0.117 1.00 0.00 C ATOM 922 CG1 ILE A 61 -14.801 -5.150 -1.216 1.00 0.00 C ATOM 923 CG2 ILE A 61 -13.387 -4.231 0.639 1.00 0.00 C ATOM 924 CD1 ILE A 61 -13.843 -4.759 -2.323 1.00 0.00 C ATOM 0 H ILE A 61 -14.746 -7.647 -0.917 1.00 0.00 H new ATOM 0 HA ILE A 61 -12.308 -6.312 -0.689 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.875 -5.751 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -15.371 -6.023 -1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -15.515 -4.341 -1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.096 -3.411 0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.938 -4.456 1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.607 -3.943 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.405 -4.553 -3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -13.290 -3.867 -2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -13.144 -5.575 -2.504 1.00 0.00 H new ATOM 936 N LYS A 62 -13.062 -8.150 1.852 1.00 0.00 N ATOM 937 CA LYS A 62 -12.607 -8.649 3.149 1.00 0.00 C ATOM 938 C LYS A 62 -11.223 -9.244 3.009 1.00 0.00 C ATOM 939 O LYS A 62 -10.252 -8.719 3.547 1.00 0.00 O ATOM 940 CB LYS A 62 -13.569 -9.709 3.664 1.00 0.00 C ATOM 941 CG LYS A 62 -15.013 -9.309 3.486 1.00 0.00 C ATOM 942 CD LYS A 62 -15.391 -8.147 4.392 1.00 0.00 C ATOM 943 CE LYS A 62 -15.337 -8.540 5.860 1.00 0.00 C ATOM 944 NZ LYS A 62 -15.713 -7.407 6.752 1.00 0.00 N ATOM 0 H LYS A 62 -13.774 -8.728 1.406 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.575 -7.821 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.387 -10.647 3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.373 -9.892 4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.188 -9.032 2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.656 -10.162 3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.715 -7.311 4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -16.395 -7.803 4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.009 -9.380 6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.331 -8.880 6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.664 -7.715 7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.056 -6.615 6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.682 -7.099 6.533 1.00 0.00 H new ATOM 958 N ASP A 63 -11.133 -10.326 2.245 1.00 0.00 N ATOM 959 CA ASP A 63 -9.855 -10.966 1.996 1.00 0.00 C ATOM 960 C ASP A 63 -8.917 -9.946 1.374 1.00 0.00 C ATOM 961 O ASP A 63 -7.699 -10.122 1.355 1.00 0.00 O ATOM 962 CB ASP A 63 -10.025 -12.174 1.070 1.00 0.00 C ATOM 963 CG ASP A 63 -10.630 -11.801 -0.270 1.00 0.00 C ATOM 964 OD1 ASP A 63 -10.001 -11.016 -1.010 1.00 0.00 O ATOM 965 OD2 ASP A 63 -11.735 -12.294 -0.580 1.00 0.00 O ATOM 0 H ASP A 63 -11.929 -10.774 1.790 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.437 -11.327 2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.054 -12.643 0.908 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.659 -12.914 1.557 1.00 0.00 H new ATOM 970 N LEU A 64 -9.515 -8.867 0.869 1.00 0.00 N ATOM 971 CA LEU A 64 -8.759 -7.791 0.241 1.00 0.00 C ATOM 972 C LEU A 64 -8.286 -6.785 1.293 1.00 0.00 C ATOM 973 O LEU A 64 -7.201 -6.221 1.178 1.00 0.00 O ATOM 974 CB LEU A 64 -9.628 -7.091 -0.814 1.00 0.00 C ATOM 975 CG LEU A 64 -8.869 -6.282 -1.874 1.00 0.00 C ATOM 976 CD1 LEU A 64 -9.807 -5.874 -2.998 1.00 0.00 C ATOM 977 CD2 LEU A 64 -8.223 -5.047 -1.263 1.00 0.00 C ATOM 0 H LEU A 64 -10.524 -8.718 0.884 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.881 -8.215 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.229 -7.846 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.321 -6.423 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.080 -6.916 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.255 -5.301 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.226 -6.766 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.614 -5.262 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.692 -4.493 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.994 -4.412 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.520 -5.350 -0.487 1.00 0.00 H new ATOM 989 N MET A 65 -9.114 -6.564 2.315 1.00 0.00 N ATOM 990 CA MET A 65 -8.788 -5.619 3.384 1.00 0.00 C ATOM 991 C MET A 65 -7.992 -6.296 4.495 1.00 0.00 C ATOM 992 O MET A 65 -6.887 -5.868 4.827 1.00 0.00 O ATOM 993 CB MET A 65 -10.073 -5.010 3.957 1.00 0.00 C ATOM 994 CG MET A 65 -9.847 -3.797 4.850 1.00 0.00 C ATOM 995 SD MET A 65 -9.060 -4.203 6.422 1.00 0.00 S ATOM 996 CE MET A 65 -10.291 -5.282 7.149 1.00 0.00 C ATOM 0 H MET A 65 -10.016 -7.027 2.425 1.00 0.00 H new ATOM 0 HA MET A 65 -8.171 -4.827 2.959 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.725 -4.723 3.132 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.600 -5.774 4.528 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.229 -3.074 4.318 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.805 -3.315 5.045 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.456 -4.998 8.188 1.00 0.00 H new ATOM 0 HE2 MET A 65 -11.226 -5.192 6.596 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.942 -6.314 7.106 1.00 0.00 H new ATOM 1006 N ASP A 66 -8.569 -7.342 5.078 1.00 0.00 N ATOM 1007 CA ASP A 66 -7.920 -8.074 6.163 1.00 0.00 C ATOM 1008 C ASP A 66 -6.476 -8.431 5.807 1.00 0.00 C ATOM 1009 O ASP A 66 -5.594 -8.413 6.666 1.00 0.00 O ATOM 1010 CB ASP A 66 -8.708 -9.347 6.483 1.00 0.00 C ATOM 1011 CG ASP A 66 -8.167 -10.084 7.695 1.00 0.00 C ATOM 1012 OD1 ASP A 66 -7.219 -9.576 8.330 1.00 0.00 O ATOM 1013 OD2 ASP A 66 -8.699 -11.168 8.014 1.00 0.00 O ATOM 0 H ASP A 66 -9.487 -7.703 4.817 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.903 -7.428 7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.752 -9.088 6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.684 -10.011 5.619 1.00 0.00 H new ATOM 1018 N ALA A 67 -6.241 -8.759 4.539 1.00 0.00 N ATOM 1019 CA ALA A 67 -4.904 -9.124 4.080 1.00 0.00 C ATOM 1020 C ALA A 67 -4.148 -7.914 3.536 1.00 0.00 C ATOM 1021 O ALA A 67 -2.939 -7.976 3.313 1.00 0.00 O ATOM 1022 CB ALA A 67 -4.991 -10.212 3.020 1.00 0.00 C ATOM 0 H ALA A 67 -6.957 -8.779 3.813 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.349 -9.504 4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.988 -10.475 2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.476 -11.093 3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.572 -9.849 2.172 1.00 0.00 H new ATOM 1028 N ALA A 68 -4.869 -6.819 3.320 1.00 0.00 N ATOM 1029 CA ALA A 68 -4.269 -5.596 2.796 1.00 0.00 C ATOM 1030 C ALA A 68 -3.173 -5.066 3.714 1.00 0.00 C ATOM 1031 O ALA A 68 -2.028 -4.897 3.292 1.00 0.00 O ATOM 1032 CB ALA A 68 -5.334 -4.531 2.591 1.00 0.00 C ATOM 0 H ALA A 68 -5.871 -6.753 3.500 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.813 -5.840 1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.872 -3.625 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.079 -4.893 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.816 -4.310 3.543 1.00 0.00 H new ATOM 1038 N ASP A 69 -3.528 -4.795 4.966 1.00 0.00 N ATOM 1039 CA ASP A 69 -2.568 -4.273 5.928 1.00 0.00 C ATOM 1040 C ASP A 69 -2.151 -5.344 6.928 1.00 0.00 C ATOM 1041 O ASP A 69 -2.988 -6.007 7.541 1.00 0.00 O ATOM 1042 CB ASP A 69 -3.146 -3.058 6.660 1.00 0.00 C ATOM 1043 CG ASP A 69 -4.361 -3.401 7.500 1.00 0.00 C ATOM 1044 OD1 ASP A 69 -5.350 -3.914 6.935 1.00 0.00 O ATOM 1045 OD2 ASP A 69 -4.324 -3.150 8.724 1.00 0.00 O ATOM 0 H ASP A 69 -4.469 -4.928 5.335 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.681 -3.961 5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.377 -2.626 7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.418 -2.295 5.930 1.00 0.00 H new ATOM 1050 N ILE A 70 -0.843 -5.494 7.085 1.00 0.00 N ATOM 1051 CA ILE A 70 -0.277 -6.468 8.008 1.00 0.00 C ATOM 1052 C ILE A 70 -0.244 -5.866 9.409 1.00 0.00 C ATOM 1053 O ILE A 70 -0.041 -6.556 10.406 1.00 0.00 O ATOM 1054 CB ILE A 70 1.145 -6.878 7.552 1.00 0.00 C ATOM 1055 CG1 ILE A 70 1.492 -8.308 8.001 1.00 0.00 C ATOM 1056 CG2 ILE A 70 2.184 -5.885 8.061 1.00 0.00 C ATOM 1057 CD1 ILE A 70 1.727 -8.468 9.489 1.00 0.00 C ATOM 0 H ILE A 70 -0.147 -4.947 6.579 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.896 -7.365 8.019 1.00 0.00 H new ATOM 0 HB ILE A 70 1.158 -6.862 6.462 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.683 -8.974 7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.386 -8.634 7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.175 -6.193 7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.962 -4.893 7.668 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.159 -5.858 9.150 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.965 -9.508 9.710 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.557 -7.833 9.797 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.828 -8.178 10.033 1.00 0.00 H new ATOM 1069 N ASP A 71 -0.463 -4.560 9.461 1.00 0.00 N ATOM 1070 CA ASP A 71 -0.480 -3.824 10.715 1.00 0.00 C ATOM 1071 C ASP A 71 -1.702 -4.212 11.546 1.00 0.00 C ATOM 1072 O ASP A 71 -1.795 -3.870 12.724 1.00 0.00 O ATOM 1073 CB ASP A 71 -0.500 -2.322 10.418 1.00 0.00 C ATOM 1074 CG ASP A 71 -0.458 -1.461 11.666 1.00 0.00 C ATOM 1075 OD1 ASP A 71 -0.168 -1.997 12.756 1.00 0.00 O ATOM 1076 OD2 ASP A 71 -0.699 -0.242 11.546 1.00 0.00 O ATOM 0 H ASP A 71 -0.633 -3.983 8.637 1.00 0.00 H new ATOM 0 HA ASP A 71 0.414 -4.071 11.287 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.352 -2.073 9.785 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.400 -2.083 9.851 1.00 0.00 H new ATOM 1081 N LYS A 72 -2.633 -4.938 10.921 1.00 0.00 N ATOM 1082 CA LYS A 72 -3.850 -5.379 11.593 1.00 0.00 C ATOM 1083 C LYS A 72 -4.450 -4.267 12.441 1.00 0.00 C ATOM 1084 O LYS A 72 -5.087 -4.520 13.464 1.00 0.00 O ATOM 1085 CB LYS A 72 -3.551 -6.604 12.450 1.00 0.00 C ATOM 1086 CG LYS A 72 -3.514 -7.907 11.665 1.00 0.00 C ATOM 1087 CD LYS A 72 -2.766 -7.779 10.347 1.00 0.00 C ATOM 1088 CE LYS A 72 -2.752 -9.095 9.586 1.00 0.00 C ATOM 1089 NZ LYS A 72 -2.093 -10.178 10.366 1.00 0.00 N ATOM 0 H LYS A 72 -2.563 -5.232 9.947 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.585 -5.644 10.833 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.591 -6.463 12.947 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.307 -6.683 13.232 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.041 -8.679 12.273 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.534 -8.237 11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.234 -7.008 9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.742 -7.457 10.538 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.775 -9.389 9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.231 -8.961 8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.874 -10.976 9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.213 -9.817 10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.731 -10.499 11.122 1.00 0.00 H new ATOM 1103 N SER A 73 -4.237 -3.033 12.004 1.00 0.00 N ATOM 1104 CA SER A 73 -4.753 -1.871 12.720 1.00 0.00 C ATOM 1105 C SER A 73 -6.109 -1.448 12.166 1.00 0.00 C ATOM 1106 O SER A 73 -6.714 -0.488 12.645 1.00 0.00 O ATOM 1107 CB SER A 73 -3.768 -0.704 12.631 1.00 0.00 C ATOM 1108 OG SER A 73 -3.599 -0.280 11.291 1.00 0.00 O ATOM 0 H SER A 73 -3.712 -2.810 11.159 1.00 0.00 H new ATOM 0 HA SER A 73 -4.877 -2.151 13.766 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.129 0.128 13.236 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.805 -1.004 13.045 1.00 0.00 H new ATOM 1114 N GLY A 74 -6.581 -2.171 11.155 1.00 0.00 N ATOM 1115 CA GLY A 74 -7.864 -1.856 10.552 1.00 0.00 C ATOM 1116 C GLY A 74 -7.748 -0.825 9.446 1.00 0.00 C ATOM 1117 O GLY A 74 -8.718 -0.554 8.737 1.00 0.00 O ATOM 0 H GLY A 74 -6.098 -2.969 10.742 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.306 -2.767 10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.542 -1.485 11.321 1.00 0.00 H new ATOM 1121 N THR A 75 -6.558 -0.250 9.300 1.00 0.00 N ATOM 1122 CA THR A 75 -6.315 0.758 8.273 1.00 0.00 C ATOM 1123 C THR A 75 -5.151 0.350 7.375 1.00 0.00 C ATOM 1124 O THR A 75 -4.086 -0.035 7.858 1.00 0.00 O ATOM 1125 CB THR A 75 -6.028 2.114 8.918 1.00 0.00 C ATOM 1126 OG1 THR A 75 -4.913 2.029 9.787 1.00 0.00 O ATOM 1127 CG2 THR A 75 -7.194 2.655 9.718 1.00 0.00 C ATOM 0 H THR A 75 -5.747 -0.465 9.880 1.00 0.00 H new ATOM 0 HA THR A 75 -7.212 0.839 7.659 1.00 0.00 H new ATOM 0 HB THR A 75 -5.832 2.793 8.088 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.300 1.335 9.466 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.924 3.619 10.149 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.057 2.779 9.064 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.441 1.957 10.518 1.00 0.00 H new ATOM 1135 N ILE A 76 -5.365 0.434 6.067 1.00 0.00 N ATOM 1136 CA ILE A 76 -4.342 0.071 5.096 1.00 0.00 C ATOM 1137 C ILE A 76 -3.475 1.269 4.724 1.00 0.00 C ATOM 1138 O ILE A 76 -3.944 2.411 4.705 1.00 0.00 O ATOM 1139 CB ILE A 76 -4.972 -0.504 3.810 1.00 0.00 C ATOM 1140 CG1 ILE A 76 -3.880 -0.889 2.805 1.00 0.00 C ATOM 1141 CG2 ILE A 76 -5.937 0.505 3.201 1.00 0.00 C ATOM 1142 CD1 ILE A 76 -4.412 -1.448 1.502 1.00 0.00 C ATOM 0 H ILE A 76 -6.242 0.752 5.654 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.720 -0.689 5.567 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.531 -1.404 4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.272 -0.010 2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.222 -1.627 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.375 0.088 2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.728 0.729 3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.399 1.421 2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.578 -1.696 0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.995 -2.347 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.046 -0.704 1.019 1.00 0.00 H new ATOM 1154 N ASP A 77 -2.211 0.988 4.414 1.00 0.00 N ATOM 1155 CA ASP A 77 -1.256 2.017 4.019 1.00 0.00 C ATOM 1156 C ASP A 77 -0.535 1.583 2.743 1.00 0.00 C ATOM 1157 O ASP A 77 -0.354 0.389 2.507 1.00 0.00 O ATOM 1158 CB ASP A 77 -0.248 2.265 5.145 1.00 0.00 C ATOM 1159 CG ASP A 77 0.637 3.471 4.888 1.00 0.00 C ATOM 1160 OD1 ASP A 77 1.375 3.466 3.882 1.00 0.00 O ATOM 1161 OD2 ASP A 77 0.591 4.421 5.697 1.00 0.00 O ATOM 0 H ASP A 77 -1.823 0.045 4.430 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.790 2.947 3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.785 2.408 6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.377 1.381 5.268 1.00 0.00 H new ATOM 1166 N TYR A 78 -0.141 2.549 1.919 1.00 0.00 N ATOM 1167 CA TYR A 78 0.544 2.252 0.660 1.00 0.00 C ATOM 1168 C TYR A 78 1.734 1.318 0.875 1.00 0.00 C ATOM 1169 O TYR A 78 1.973 0.409 0.079 1.00 0.00 O ATOM 1170 CB TYR A 78 1.029 3.546 0.003 1.00 0.00 C ATOM 1171 CG TYR A 78 1.412 3.396 -1.454 1.00 0.00 C ATOM 1172 CD1 TYR A 78 0.631 2.648 -2.327 1.00 0.00 C ATOM 1173 CD2 TYR A 78 2.550 4.013 -1.957 1.00 0.00 C ATOM 1174 CE1 TYR A 78 0.975 2.517 -3.658 1.00 0.00 C ATOM 1175 CE2 TYR A 78 2.900 3.888 -3.287 1.00 0.00 C ATOM 1176 CZ TYR A 78 2.110 3.139 -4.134 1.00 0.00 C ATOM 1177 OH TYR A 78 2.456 3.011 -5.459 1.00 0.00 O ATOM 0 H TYR A 78 -0.283 3.543 2.098 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.173 1.753 0.008 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.245 4.298 0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.890 3.921 0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.260 2.161 -1.958 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.171 4.600 -1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.358 1.930 -4.323 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.788 4.374 -3.662 1.00 0.00 H new ATOM 0 HH TYR A 78 3.281 3.511 -5.631 1.00 0.00 H new ATOM 1187 N GLY A 79 2.481 1.557 1.947 1.00 0.00 N ATOM 1188 CA GLY A 79 3.646 0.740 2.244 1.00 0.00 C ATOM 1189 C GLY A 79 3.289 -0.649 2.738 1.00 0.00 C ATOM 1190 O GLY A 79 4.073 -1.587 2.587 1.00 0.00 O ATOM 0 H GLY A 79 2.301 2.304 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.260 0.654 1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.252 1.243 2.998 1.00 0.00 H new ATOM 1194 N GLU A 80 2.110 -0.784 3.336 1.00 0.00 N ATOM 1195 CA GLU A 80 1.660 -2.071 3.857 1.00 0.00 C ATOM 1196 C GLU A 80 0.929 -2.871 2.785 1.00 0.00 C ATOM 1197 O GLU A 80 0.840 -4.097 2.861 1.00 0.00 O ATOM 1198 CB GLU A 80 0.750 -1.861 5.067 1.00 0.00 C ATOM 1199 CG GLU A 80 1.427 -1.122 6.210 1.00 0.00 C ATOM 1200 CD GLU A 80 0.508 -0.912 7.398 1.00 0.00 C ATOM 1201 OE1 GLU A 80 -0.663 -1.341 7.328 1.00 0.00 O ATOM 1202 OE2 GLU A 80 0.959 -0.317 8.398 1.00 0.00 O ATOM 0 H GLU A 80 1.449 -0.019 3.472 1.00 0.00 H new ATOM 0 HA GLU A 80 2.539 -2.638 4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.133 -1.303 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.404 -2.831 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.305 -1.683 6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.779 -0.154 5.853 1.00 0.00 H new ATOM 1209 N PHE A 81 0.406 -2.167 1.789 1.00 0.00 N ATOM 1210 CA PHE A 81 -0.321 -2.803 0.697 1.00 0.00 C ATOM 1211 C PHE A 81 0.609 -3.677 -0.140 1.00 0.00 C ATOM 1212 O PHE A 81 0.199 -4.714 -0.661 1.00 0.00 O ATOM 1213 CB PHE A 81 -0.981 -1.739 -0.185 1.00 0.00 C ATOM 1214 CG PHE A 81 -1.789 -2.305 -1.319 1.00 0.00 C ATOM 1215 CD1 PHE A 81 -2.734 -3.294 -1.092 1.00 0.00 C ATOM 1216 CD2 PHE A 81 -1.604 -1.846 -2.613 1.00 0.00 C ATOM 1217 CE1 PHE A 81 -3.478 -3.814 -2.135 1.00 0.00 C ATOM 1218 CE2 PHE A 81 -2.344 -2.362 -3.659 1.00 0.00 C ATOM 1219 CZ PHE A 81 -3.282 -3.347 -3.420 1.00 0.00 C ATOM 0 H PHE A 81 0.472 -1.152 1.715 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.094 -3.441 1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.628 -1.117 0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.208 -1.088 -0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.891 -3.662 -0.089 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.872 -1.075 -2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.211 -4.584 -1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.189 -1.995 -4.663 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.861 -3.752 -4.237 1.00 0.00 H new ATOM 1229 N ILE A 82 1.864 -3.251 -0.264 1.00 0.00 N ATOM 1230 CA ILE A 82 2.851 -3.996 -1.038 1.00 0.00 C ATOM 1231 C ILE A 82 3.491 -5.097 -0.196 1.00 0.00 C ATOM 1232 O ILE A 82 3.926 -6.121 -0.724 1.00 0.00 O ATOM 1233 CB ILE A 82 3.956 -3.067 -1.584 1.00 0.00 C ATOM 1234 CG1 ILE A 82 4.946 -3.861 -2.444 1.00 0.00 C ATOM 1235 CG2 ILE A 82 4.676 -2.371 -0.437 1.00 0.00 C ATOM 1236 CD1 ILE A 82 6.029 -3.008 -3.072 1.00 0.00 C ATOM 0 H ILE A 82 2.220 -2.395 0.161 1.00 0.00 H new ATOM 0 HA ILE A 82 2.322 -4.447 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 82 3.493 -2.305 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.413 -4.630 -1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.397 -4.375 -3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.453 -1.719 -0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.962 -1.777 0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.129 -3.118 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.691 -3.639 -3.665 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.572 -2.256 -3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.604 -2.515 -2.288 1.00 0.00 H new ATOM 1248 N ALA A 83 3.544 -4.878 1.116 1.00 0.00 N ATOM 1249 CA ALA A 83 4.129 -5.851 2.032 1.00 0.00 C ATOM 1250 C ALA A 83 3.481 -7.220 1.861 1.00 0.00 C ATOM 1251 O ALA A 83 4.102 -8.250 2.122 1.00 0.00 O ATOM 1252 CB ALA A 83 3.989 -5.375 3.471 1.00 0.00 C ATOM 0 H ALA A 83 3.189 -4.035 1.567 1.00 0.00 H new ATOM 0 HA ALA A 83 5.189 -5.945 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.430 -6.112 4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.503 -4.421 3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.933 -5.251 3.712 1.00 0.00 H new ATOM 1258 N ALA A 84 2.228 -7.222 1.415 1.00 0.00 N ATOM 1259 CA ALA A 84 1.494 -8.462 1.202 1.00 0.00 C ATOM 1260 C ALA A 84 1.726 -8.998 -0.208 1.00 0.00 C ATOM 1261 O ALA A 84 2.647 -9.783 -0.439 1.00 0.00 O ATOM 1262 CB ALA A 84 0.009 -8.245 1.454 1.00 0.00 C ATOM 0 H ALA A 84 1.701 -6.377 1.194 1.00 0.00 H new ATOM 0 HA ALA A 84 1.864 -9.205 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.528 -9.179 1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.141 -7.914 2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.369 -7.485 0.770 1.00 0.00 H new ATOM 1268 N THR A 85 0.889 -8.566 -1.148 1.00 0.00 N ATOM 1269 CA THR A 85 1.003 -8.998 -2.536 1.00 0.00 C ATOM 1270 C THR A 85 0.314 -8.007 -3.470 1.00 0.00 C ATOM 1271 O THR A 85 -0.724 -7.439 -3.129 1.00 0.00 O ATOM 1272 CB THR A 85 0.393 -10.391 -2.714 1.00 0.00 C ATOM 1273 OG1 THR A 85 1.054 -11.340 -1.897 1.00 0.00 O ATOM 1274 CG2 THR A 85 0.454 -10.895 -4.141 1.00 0.00 C ATOM 0 H THR A 85 0.123 -7.916 -0.972 1.00 0.00 H new ATOM 0 HA THR A 85 2.062 -9.039 -2.791 1.00 0.00 H new ATOM 0 HB THR A 85 -0.653 -10.283 -2.426 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.904 -10.967 -1.584 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.005 -11.887 -4.196 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.093 -10.212 -4.792 1.00 0.00 H new ATOM 0 HG23 THR A 85 1.494 -10.949 -4.464 1.00 0.00 H new ATOM 1282 N VAL A 86 0.894 -7.809 -4.649 1.00 0.00 N ATOM 1283 CA VAL A 86 0.334 -6.891 -5.634 1.00 0.00 C ATOM 1284 C VAL A 86 -0.558 -7.633 -6.626 1.00 0.00 C ATOM 1285 O VAL A 86 -0.879 -8.805 -6.430 1.00 0.00 O ATOM 1286 CB VAL A 86 1.442 -6.152 -6.409 1.00 0.00 C ATOM 1287 CG1 VAL A 86 2.284 -5.306 -5.467 1.00 0.00 C ATOM 1288 CG2 VAL A 86 2.314 -7.143 -7.166 1.00 0.00 C ATOM 0 H VAL A 86 1.753 -8.273 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.262 -6.161 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 86 0.970 -5.487 -7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.060 -4.793 -6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.649 -4.570 -4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.747 -5.948 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.091 -6.604 -7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.776 -7.834 -6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.700 -7.702 -7.873 1.00 0.00 H new ATOM 1298 N HIS A 87 -0.951 -6.944 -7.694 1.00 0.00 N ATOM 1299 CA HIS A 87 -1.802 -7.542 -8.718 1.00 0.00 C ATOM 1300 C HIS A 87 -0.961 -8.260 -9.768 1.00 0.00 C ATOM 1301 O HIS A 87 0.243 -8.477 -9.515 1.00 0.00 O ATOM 1302 CB HIS A 87 -2.668 -6.472 -9.388 1.00 0.00 C ATOM 1303 CG HIS A 87 -3.620 -5.787 -8.453 1.00 0.00 C ATOM 1304 ND1 HIS A 87 -4.480 -4.788 -8.858 1.00 0.00 N ATOM 1305 CD2 HIS A 87 -3.851 -5.965 -7.130 1.00 0.00 C ATOM 1306 CE1 HIS A 87 -5.196 -4.380 -7.825 1.00 0.00 C ATOM 1307 NE2 HIS A 87 -4.835 -5.079 -6.765 1.00 0.00 N ATOM 1308 OXT HIS A 87 -1.514 -8.600 -10.836 1.00 0.00 O ATOM 0 H HIS A 87 -0.694 -5.973 -7.873 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.452 -8.270 -8.233 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.018 -5.724 -9.841 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.236 -6.932 -10.196 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -3.354 -6.672 -6.483 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.949 -3.606 -7.845 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -5.224 -4.978 -5.827 1.00 0.00 H new TER 1317 HIS A 87 HETATM 1318 CA CA A 88 -9.468 7.432 6.281 1.00 0.00 CA HETATM 1319 CA CA A 89 -2.570 -1.001 9.437 1.00 0.00 CA