USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 611 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 57 THR OG1 : rot 180:sc= 0.28 USER MOD Set 1.2: A 60 SER OG : rot 106:sc= 0.303 USER MOD Set 2.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= 1.01 (180deg=0.781) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0029 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 76:sc= 0.972 USER MOD Single : A 31 LYS NZ :NH3+ -111:sc= 0.124 (180deg=0) USER MOD Single : A 33 CYS SG : rot 81:sc= 0.0515 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00715) USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= 0.81 (180deg=0.31) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0363) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0199) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.012 7.039 12.410 1.00 0.00 N ATOM 2 CA MET A 1 -6.349 6.430 12.569 1.00 0.00 C ATOM 3 C MET A 1 -6.790 5.753 11.269 1.00 0.00 C ATOM 4 O MET A 1 -6.363 4.621 10.977 1.00 0.00 O ATOM 5 CB MET A 1 -7.407 7.397 13.156 1.00 0.00 C ATOM 6 CG MET A 1 -7.212 7.743 14.638 1.00 0.00 C ATOM 7 SD MET A 1 -5.792 8.802 15.029 1.00 0.00 S ATOM 8 CE MET A 1 -6.150 9.181 16.766 1.00 0.00 C ATOM 0 H1 MET A 1 -4.466 6.912 13.286 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.513 6.580 11.622 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.115 8.054 12.210 1.00 0.00 H new ATOM 0 HA MET A 1 -6.262 5.651 13.327 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.395 8.321 12.577 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.394 6.954 13.028 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.116 8.234 14.998 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.111 6.813 15.197 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.369 9.828 17.166 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.113 9.687 16.837 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.184 8.256 17.341 1.00 0.00 H new ATOM 17 N LYS A 2 -7.641 6.388 10.444 1.00 0.00 N ATOM 18 CA LYS A 2 -8.128 5.851 9.163 1.00 0.00 C ATOM 19 C LYS A 2 -7.184 6.151 7.991 1.00 0.00 C ATOM 20 O LYS A 2 -6.588 7.229 7.913 1.00 0.00 O ATOM 21 CB LYS A 2 -9.543 6.377 8.858 1.00 0.00 C ATOM 22 CG LYS A 2 -10.608 5.872 9.848 1.00 0.00 C ATOM 23 CD LYS A 2 -11.995 6.352 9.402 1.00 0.00 C ATOM 24 CE LYS A 2 -13.085 5.823 10.339 1.00 0.00 C ATOM 25 NZ LYS A 2 -14.429 6.220 9.853 1.00 0.00 N ATOM 0 H LYS A 2 -8.018 7.312 10.656 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.161 4.767 9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.529 7.467 8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.824 6.077 7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.587 4.783 9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.390 6.240 10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.020 7.442 9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.191 6.015 8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.022 4.737 10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.927 6.211 11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.155 5.853 10.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.492 7.257 9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.584 5.829 8.902 1.00 0.00 H new ATOM 39 N ILE A 3 -7.119 5.198 7.061 1.00 0.00 N ATOM 40 CA ILE A 3 -6.386 5.228 5.790 1.00 0.00 C ATOM 41 C ILE A 3 -7.290 4.654 4.688 1.00 0.00 C ATOM 42 O ILE A 3 -8.005 3.675 4.918 1.00 0.00 O ATOM 43 CB ILE A 3 -5.072 4.414 5.915 1.00 0.00 C ATOM 44 CG1 ILE A 3 -4.089 4.984 6.966 1.00 0.00 C ATOM 45 CG2 ILE A 3 -4.347 4.263 4.565 1.00 0.00 C ATOM 46 CD1 ILE A 3 -3.491 6.360 6.661 1.00 0.00 C ATOM 0 H ILE A 3 -7.615 4.315 7.184 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.118 6.253 5.534 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.392 3.431 6.259 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.607 5.041 7.923 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.270 4.275 7.088 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.433 3.686 4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.997 3.747 3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.097 5.249 4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.819 6.652 7.468 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.935 6.316 5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.292 7.094 6.573 1.00 0.00 H new ATOM 58 N LYS A 4 -7.267 5.252 3.491 1.00 0.00 N ATOM 59 CA LYS A 4 -7.868 4.659 2.280 1.00 0.00 C ATOM 60 C LYS A 4 -6.833 3.833 1.515 1.00 0.00 C ATOM 61 O LYS A 4 -5.686 4.254 1.368 1.00 0.00 O ATOM 62 CB LYS A 4 -8.519 5.744 1.394 1.00 0.00 C ATOM 63 CG LYS A 4 -10.024 5.501 1.219 1.00 0.00 C ATOM 64 CD LYS A 4 -10.683 6.652 0.444 1.00 0.00 C ATOM 65 CE LYS A 4 -12.210 6.491 0.427 1.00 0.00 C ATOM 66 NZ LYS A 4 -12.878 7.605 -0.300 1.00 0.00 N ATOM 0 H LYS A 4 -6.832 6.161 3.330 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.665 3.981 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.358 6.725 1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.036 5.755 0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.185 4.562 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.495 5.400 2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.418 7.605 0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.303 6.674 -0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.470 5.543 -0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.582 6.451 1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.908 7.459 -0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.651 8.508 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.542 7.628 -1.284 1.00 0.00 H new ATOM 80 N ILE A 5 -7.241 2.685 0.982 1.00 0.00 N ATOM 81 CA ILE A 5 -6.448 1.897 0.025 1.00 0.00 C ATOM 82 C ILE A 5 -7.193 1.772 -1.307 1.00 0.00 C ATOM 83 O ILE A 5 -8.414 1.612 -1.322 1.00 0.00 O ATOM 84 CB ILE A 5 -6.005 0.538 0.613 1.00 0.00 C ATOM 85 CG1 ILE A 5 -7.176 -0.430 0.905 1.00 0.00 C ATOM 86 CG2 ILE A 5 -5.129 0.768 1.860 1.00 0.00 C ATOM 87 CD1 ILE A 5 -6.727 -1.853 1.267 1.00 0.00 C ATOM 0 H ILE A 5 -8.144 2.264 1.202 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.520 2.432 -0.177 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.415 0.037 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.772 -0.028 1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.825 -0.475 0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.820 -0.194 2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.247 1.345 1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.700 1.315 2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.603 -2.473 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.156 -2.276 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.103 -1.821 2.160 1.00 0.00 H new ATOM 99 N VAL A 6 -6.460 1.875 -2.419 1.00 0.00 N ATOM 100 CA VAL A 6 -7.011 1.885 -3.788 1.00 0.00 C ATOM 101 C VAL A 6 -6.266 0.869 -4.673 1.00 0.00 C ATOM 102 O VAL A 6 -5.415 1.255 -5.483 1.00 0.00 O ATOM 103 CB VAL A 6 -7.024 3.316 -4.380 1.00 0.00 C ATOM 104 CG1 VAL A 6 -7.951 3.370 -5.601 1.00 0.00 C ATOM 105 CG2 VAL A 6 -7.494 4.385 -3.380 1.00 0.00 C ATOM 0 H VAL A 6 -5.443 1.956 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.054 1.569 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.992 3.538 -4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.954 4.380 -6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.596 2.672 -6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.963 3.097 -5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.479 5.364 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.508 4.157 -3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.828 4.394 -2.517 1.00 0.00 H new ATOM 115 N PRO A 7 -6.511 -0.446 -4.489 1.00 0.00 N ATOM 116 CA PRO A 7 -5.898 -1.501 -5.293 1.00 0.00 C ATOM 117 C PRO A 7 -6.582 -1.652 -6.667 1.00 0.00 C ATOM 118 O PRO A 7 -7.807 -1.723 -6.761 1.00 0.00 O ATOM 119 CB PRO A 7 -6.025 -2.761 -4.432 1.00 0.00 C ATOM 120 CG PRO A 7 -7.334 -2.542 -3.672 1.00 0.00 C ATOM 121 CD PRO A 7 -7.349 -1.031 -3.445 1.00 0.00 C ATOM 0 HA PRO A 7 -4.858 -1.283 -5.537 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.061 -3.663 -5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.180 -2.870 -3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.197 -2.872 -4.250 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.352 -3.092 -2.731 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.365 -0.641 -3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.965 -0.784 -2.455 1.00 0.00 H new ATOM 129 N ALA A 8 -5.789 -1.759 -7.732 1.00 0.00 N ATOM 130 CA ALA A 8 -6.240 -1.903 -9.124 1.00 0.00 C ATOM 131 C ALA A 8 -6.712 -3.331 -9.504 1.00 0.00 C ATOM 132 O ALA A 8 -6.482 -3.792 -10.627 1.00 0.00 O ATOM 133 CB ALA A 8 -5.117 -1.375 -10.031 1.00 0.00 C ATOM 0 H ALA A 8 -4.772 -1.748 -7.650 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.145 -1.311 -9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.419 -1.467 -11.074 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.925 -0.327 -9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.210 -1.956 -9.863 1.00 0.00 H new ATOM 139 N VAL A 9 -7.347 -4.057 -8.574 1.00 0.00 N ATOM 140 CA VAL A 9 -7.787 -5.461 -8.716 1.00 0.00 C ATOM 141 C VAL A 9 -9.179 -5.689 -8.107 1.00 0.00 C ATOM 142 O VAL A 9 -9.657 -4.887 -7.300 1.00 0.00 O ATOM 143 CB VAL A 9 -6.772 -6.452 -8.103 1.00 0.00 C ATOM 144 CG1 VAL A 9 -5.470 -6.519 -8.906 1.00 0.00 C ATOM 145 CG2 VAL A 9 -6.428 -6.136 -6.645 1.00 0.00 C ATOM 0 H VAL A 9 -7.581 -3.669 -7.660 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.845 -5.654 -9.787 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.275 -7.418 -8.141 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.789 -7.228 -8.436 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.687 -6.844 -9.924 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.007 -5.533 -8.931 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.711 -6.868 -6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.994 -5.138 -6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.334 -6.176 -6.040 1.00 0.00 H new ATOM 155 N GLY A 10 -9.841 -6.784 -8.492 1.00 0.00 N ATOM 156 CA GLY A 10 -11.195 -7.123 -8.030 1.00 0.00 C ATOM 157 C GLY A 10 -12.221 -6.083 -8.490 1.00 0.00 C ATOM 158 O GLY A 10 -12.371 -5.839 -9.692 1.00 0.00 O ATOM 0 H GLY A 10 -9.450 -7.468 -9.140 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.475 -8.105 -8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.204 -7.188 -6.942 1.00 0.00 H new ATOM 162 N GLY A 11 -12.902 -5.435 -7.539 1.00 0.00 N ATOM 163 CA GLY A 11 -13.804 -4.305 -7.808 1.00 0.00 C ATOM 164 C GLY A 11 -13.098 -3.008 -8.242 1.00 0.00 C ATOM 165 O GLY A 11 -13.743 -2.121 -8.804 1.00 0.00 O ATOM 0 H GLY A 11 -12.843 -5.681 -6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.508 -4.597 -8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.388 -4.102 -6.910 1.00 0.00 H new ATOM 169 N GLY A 12 -11.785 -2.879 -7.997 1.00 0.00 N ATOM 170 CA GLY A 12 -10.963 -1.709 -8.360 1.00 0.00 C ATOM 171 C GLY A 12 -11.259 -0.426 -7.562 1.00 0.00 C ATOM 172 O GLY A 12 -10.683 0.626 -7.848 1.00 0.00 O ATOM 0 H GLY A 12 -11.247 -3.607 -7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.913 -1.967 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.106 -1.499 -9.420 1.00 0.00 H new ATOM 176 N SER A 13 -12.178 -0.490 -6.594 1.00 0.00 N ATOM 177 CA SER A 13 -12.696 0.637 -5.809 1.00 0.00 C ATOM 178 C SER A 13 -11.831 0.982 -4.579 1.00 0.00 C ATOM 179 O SER A 13 -11.120 0.112 -4.062 1.00 0.00 O ATOM 180 CB SER A 13 -14.140 0.314 -5.386 1.00 0.00 C ATOM 181 OG SER A 13 -14.225 -0.919 -4.679 1.00 0.00 O ATOM 0 H SER A 13 -12.604 -1.376 -6.322 1.00 0.00 H new ATOM 0 HA SER A 13 -12.667 1.524 -6.441 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.523 1.119 -4.759 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.776 0.270 -6.270 1.00 0.00 H new ATOM 0 HG SER A 13 -15.157 -1.088 -4.426 1.00 0.00 H new ATOM 187 N PRO A 14 -11.897 2.229 -4.067 1.00 0.00 N ATOM 188 CA PRO A 14 -11.286 2.601 -2.790 1.00 0.00 C ATOM 189 C PRO A 14 -11.958 1.900 -1.590 1.00 0.00 C ATOM 190 O PRO A 14 -13.152 1.585 -1.631 1.00 0.00 O ATOM 191 CB PRO A 14 -11.437 4.124 -2.702 1.00 0.00 C ATOM 192 CG PRO A 14 -12.711 4.397 -3.498 1.00 0.00 C ATOM 193 CD PRO A 14 -12.615 3.370 -4.626 1.00 0.00 C ATOM 0 HA PRO A 14 -10.243 2.288 -2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.528 4.460 -1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.577 4.639 -3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.607 4.255 -2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.742 5.418 -3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.606 3.076 -4.973 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.086 3.782 -5.485 1.00 0.00 H new ATOM 201 N LEU A 15 -11.207 1.703 -0.500 1.00 0.00 N ATOM 202 CA LEU A 15 -11.674 1.085 0.751 1.00 0.00 C ATOM 203 C LEU A 15 -11.039 1.751 1.986 1.00 0.00 C ATOM 204 O LEU A 15 -9.819 1.894 2.051 1.00 0.00 O ATOM 205 CB LEU A 15 -11.359 -0.425 0.688 1.00 0.00 C ATOM 206 CG LEU A 15 -11.849 -1.244 1.899 1.00 0.00 C ATOM 207 CD1 LEU A 15 -13.375 -1.365 1.920 1.00 0.00 C ATOM 208 CD2 LEU A 15 -11.258 -2.654 1.849 1.00 0.00 C ATOM 0 H LEU A 15 -10.225 1.978 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.749 1.230 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.808 -0.837 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.280 -0.552 0.595 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.522 -0.720 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.682 -1.949 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.818 -0.371 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.713 -1.862 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.609 -3.226 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.573 -3.148 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.170 -2.594 1.873 1.00 0.00 H new ATOM 220 N GLU A 16 -11.851 2.136 2.975 1.00 0.00 N ATOM 221 CA GLU A 16 -11.391 2.637 4.284 1.00 0.00 C ATOM 222 C GLU A 16 -10.991 1.490 5.232 1.00 0.00 C ATOM 223 O GLU A 16 -11.741 0.523 5.397 1.00 0.00 O ATOM 224 CB GLU A 16 -12.491 3.493 4.951 1.00 0.00 C ATOM 225 CG GLU A 16 -12.184 4.994 4.883 1.00 0.00 C ATOM 226 CD GLU A 16 -13.342 5.866 5.413 1.00 0.00 C ATOM 227 OE1 GLU A 16 -13.970 5.519 6.445 1.00 0.00 O ATOM 228 OE2 GLU A 16 -13.620 6.929 4.805 1.00 0.00 O ATOM 0 H GLU A 16 -12.867 2.110 2.892 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.508 3.249 4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.446 3.298 4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.599 3.194 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.284 5.203 5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.970 5.270 3.850 1.00 0.00 H new ATOM 235 N LEU A 17 -9.847 1.636 5.911 1.00 0.00 N ATOM 236 CA LEU A 17 -9.340 0.737 6.959 1.00 0.00 C ATOM 237 C LEU A 17 -8.638 1.523 8.083 1.00 0.00 C ATOM 238 O LEU A 17 -8.034 2.571 7.851 1.00 0.00 O ATOM 239 CB LEU A 17 -8.373 -0.297 6.339 1.00 0.00 C ATOM 240 CG LEU A 17 -9.059 -1.549 5.760 1.00 0.00 C ATOM 241 CD1 LEU A 17 -8.089 -2.318 4.864 1.00 0.00 C ATOM 242 CD2 LEU A 17 -9.528 -2.494 6.872 1.00 0.00 C ATOM 0 H LEU A 17 -9.219 2.421 5.738 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.189 0.216 7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.802 0.188 5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.659 -0.609 7.101 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.921 -1.207 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.587 -3.200 4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.766 -1.678 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.221 -2.626 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.008 -3.367 6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.670 -2.813 7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.240 -1.975 7.514 1.00 0.00 H new ATOM 254 N GLU A 18 -8.692 0.999 9.307 1.00 0.00 N ATOM 255 CA GLU A 18 -7.907 1.480 10.455 1.00 0.00 C ATOM 256 C GLU A 18 -6.560 0.737 10.547 1.00 0.00 C ATOM 257 O GLU A 18 -6.525 -0.493 10.453 1.00 0.00 O ATOM 258 CB GLU A 18 -8.738 1.313 11.739 1.00 0.00 C ATOM 259 CG GLU A 18 -7.994 1.765 13.006 1.00 0.00 C ATOM 260 CD GLU A 18 -8.890 1.741 14.263 1.00 0.00 C ATOM 261 OE1 GLU A 18 -9.733 0.823 14.417 1.00 0.00 O ATOM 262 OE2 GLU A 18 -8.739 2.639 15.127 1.00 0.00 O ATOM 0 H GLU A 18 -9.295 0.210 9.539 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.677 2.537 10.323 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.661 1.886 11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.022 0.266 11.846 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.132 1.118 13.167 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.611 2.775 12.857 1.00 0.00 H new ATOM 269 N VAL A 19 -5.457 1.466 10.764 1.00 0.00 N ATOM 270 CA VAL A 19 -4.095 0.905 10.921 1.00 0.00 C ATOM 271 C VAL A 19 -3.280 1.645 11.991 1.00 0.00 C ATOM 272 O VAL A 19 -3.519 2.822 12.278 1.00 0.00 O ATOM 273 CB VAL A 19 -3.310 0.864 9.588 1.00 0.00 C ATOM 274 CG1 VAL A 19 -3.987 -0.002 8.518 1.00 0.00 C ATOM 275 CG2 VAL A 19 -3.061 2.254 8.994 1.00 0.00 C ATOM 0 H VAL A 19 -5.480 2.483 10.838 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.241 -0.123 11.254 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.355 0.415 9.860 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.388 0.010 7.607 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.075 -1.026 8.881 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.980 0.394 8.304 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.506 2.157 8.061 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.016 2.743 8.800 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.484 2.853 9.698 1.00 0.00 H new ATOM 285 N ALA A 20 -2.300 0.954 12.578 1.00 0.00 N ATOM 286 CA ALA A 20 -1.353 1.519 13.544 1.00 0.00 C ATOM 287 C ALA A 20 -0.299 2.440 12.876 1.00 0.00 C ATOM 288 O ALA A 20 0.081 2.197 11.724 1.00 0.00 O ATOM 289 CB ALA A 20 -0.685 0.349 14.284 1.00 0.00 C ATOM 0 H ALA A 20 -2.139 -0.036 12.391 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.893 2.156 14.245 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.027 0.738 15.012 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.446 -0.238 14.799 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.162 -0.284 13.567 1.00 0.00 H new ATOM 295 N PRO A 21 0.254 3.444 13.590 1.00 0.00 N ATOM 296 CA PRO A 21 1.346 4.291 13.084 1.00 0.00 C ATOM 297 C PRO A 21 2.670 3.527 12.869 1.00 0.00 C ATOM 298 O PRO A 21 3.543 3.988 12.130 1.00 0.00 O ATOM 299 CB PRO A 21 1.502 5.399 14.135 1.00 0.00 C ATOM 300 CG PRO A 21 1.043 4.731 15.431 1.00 0.00 C ATOM 301 CD PRO A 21 -0.092 3.826 14.955 1.00 0.00 C ATOM 0 HA PRO A 21 1.104 4.679 12.095 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.534 5.743 14.205 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.891 6.269 13.894 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.846 4.162 15.900 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.699 5.461 16.164 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.188 2.949 15.595 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.048 4.348 14.985 1.00 0.00 H new ATOM 309 N ASN A 22 2.812 2.344 13.481 1.00 0.00 N ATOM 310 CA ASN A 22 3.962 1.442 13.338 1.00 0.00 C ATOM 311 C ASN A 22 3.924 0.573 12.054 1.00 0.00 C ATOM 312 O ASN A 22 4.782 -0.297 11.888 1.00 0.00 O ATOM 313 CB ASN A 22 4.075 0.571 14.609 1.00 0.00 C ATOM 314 CG ASN A 22 4.408 1.329 15.888 1.00 0.00 C ATOM 315 OD1 ASN A 22 4.613 2.536 15.921 1.00 0.00 O ATOM 316 ND2 ASN A 22 4.487 0.629 16.998 1.00 0.00 N ATOM 0 H ASN A 22 2.102 1.975 14.113 1.00 0.00 H new ATOM 0 HA ASN A 22 4.853 2.060 13.226 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.132 0.043 14.753 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.842 -0.186 14.444 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.717 1.092 17.877 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.318 -0.377 16.980 1.00 0.00 H new ATOM 323 N ALA A 23 2.948 0.765 11.156 1.00 0.00 N ATOM 324 CA ALA A 23 2.811 -0.017 9.922 1.00 0.00 C ATOM 325 C ALA A 23 4.050 0.101 9.004 1.00 0.00 C ATOM 326 O ALA A 23 4.470 1.204 8.638 1.00 0.00 O ATOM 327 CB ALA A 23 1.528 0.413 9.199 1.00 0.00 C ATOM 0 H ALA A 23 2.225 1.475 11.268 1.00 0.00 H new ATOM 0 HA ALA A 23 2.742 -1.072 10.187 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.418 -0.163 8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.669 0.234 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.585 1.474 8.957 1.00 0.00 H new ATOM 333 N THR A 24 4.622 -1.046 8.623 1.00 0.00 N ATOM 334 CA THR A 24 5.832 -1.152 7.786 1.00 0.00 C ATOM 335 C THR A 24 5.459 -1.312 6.306 1.00 0.00 C ATOM 336 O THR A 24 4.664 -2.187 5.959 1.00 0.00 O ATOM 337 CB THR A 24 6.703 -2.345 8.235 1.00 0.00 C ATOM 338 OG1 THR A 24 6.936 -2.322 9.628 1.00 0.00 O ATOM 339 CG2 THR A 24 8.071 -2.377 7.550 1.00 0.00 C ATOM 0 H THR A 24 4.248 -1.956 8.894 1.00 0.00 H new ATOM 0 HA THR A 24 6.403 -0.231 7.907 1.00 0.00 H new ATOM 0 HB THR A 24 6.133 -3.229 7.950 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.489 -3.091 9.880 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.636 -3.238 7.907 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.936 -2.453 6.471 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.616 -1.463 7.784 1.00 0.00 H new ATOM 347 N VAL A 25 6.067 -0.528 5.408 1.00 0.00 N ATOM 348 CA VAL A 25 5.792 -0.579 3.952 1.00 0.00 C ATOM 349 C VAL A 25 6.110 -1.959 3.355 1.00 0.00 C ATOM 350 O VAL A 25 5.318 -2.503 2.584 1.00 0.00 O ATOM 351 CB VAL A 25 6.560 0.543 3.217 1.00 0.00 C ATOM 352 CG1 VAL A 25 6.410 0.476 1.692 1.00 0.00 C ATOM 353 CG2 VAL A 25 6.067 1.925 3.671 1.00 0.00 C ATOM 0 H VAL A 25 6.769 0.166 5.664 1.00 0.00 H new ATOM 0 HA VAL A 25 4.724 -0.414 3.810 1.00 0.00 H new ATOM 0 HB VAL A 25 7.609 0.394 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.972 1.290 1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.794 -0.478 1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.357 0.568 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.620 2.701 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.004 2.023 3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.226 2.034 4.744 1.00 0.00 H new ATOM 363 N GLY A 26 7.226 -2.570 3.768 1.00 0.00 N ATOM 364 CA GLY A 26 7.610 -3.930 3.367 1.00 0.00 C ATOM 365 C GLY A 26 6.636 -5.014 3.846 1.00 0.00 C ATOM 366 O GLY A 26 6.380 -5.972 3.116 1.00 0.00 O ATOM 0 H GLY A 26 7.897 -2.129 4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.680 -3.972 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.603 -4.148 3.759 1.00 0.00 H new ATOM 370 N ALA A 27 6.025 -4.845 5.027 1.00 0.00 N ATOM 371 CA ALA A 27 4.985 -5.747 5.528 1.00 0.00 C ATOM 372 C ALA A 27 3.691 -5.628 4.703 1.00 0.00 C ATOM 373 O ALA A 27 3.123 -6.652 4.325 1.00 0.00 O ATOM 374 CB ALA A 27 4.736 -5.477 7.017 1.00 0.00 C ATOM 0 H ALA A 27 6.241 -4.076 5.661 1.00 0.00 H new ATOM 0 HA ALA A 27 5.332 -6.775 5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.962 -6.150 7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.657 -5.643 7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.412 -4.445 7.150 1.00 0.00 H new ATOM 380 N VAL A 28 3.267 -4.406 4.350 1.00 0.00 N ATOM 381 CA VAL A 28 2.110 -4.162 3.461 1.00 0.00 C ATOM 382 C VAL A 28 2.329 -4.811 2.088 1.00 0.00 C ATOM 383 O VAL A 28 1.472 -5.565 1.623 1.00 0.00 O ATOM 384 CB VAL A 28 1.806 -2.651 3.333 1.00 0.00 C ATOM 385 CG1 VAL A 28 0.722 -2.343 2.289 1.00 0.00 C ATOM 386 CG2 VAL A 28 1.330 -2.077 4.676 1.00 0.00 C ATOM 0 H VAL A 28 3.717 -3.550 4.673 1.00 0.00 H new ATOM 0 HA VAL A 28 1.235 -4.629 3.913 1.00 0.00 H new ATOM 0 HB VAL A 28 2.742 -2.191 3.016 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.554 -1.267 2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.047 -2.699 1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.205 -2.844 2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.122 -1.013 4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.423 -2.593 4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.107 -2.217 5.427 1.00 0.00 H new ATOM 396 N ARG A 29 3.505 -4.604 1.474 1.00 0.00 N ATOM 397 CA ARG A 29 3.902 -5.266 0.214 1.00 0.00 C ATOM 398 C ARG A 29 3.890 -6.791 0.336 1.00 0.00 C ATOM 399 O ARG A 29 3.298 -7.453 -0.512 1.00 0.00 O ATOM 400 CB ARG A 29 5.285 -4.747 -0.230 1.00 0.00 C ATOM 401 CG ARG A 29 5.194 -3.408 -0.986 1.00 0.00 C ATOM 402 CD ARG A 29 4.762 -3.585 -2.452 1.00 0.00 C ATOM 403 NE ARG A 29 5.851 -4.144 -3.285 1.00 0.00 N ATOM 404 CZ ARG A 29 6.712 -3.476 -4.036 1.00 0.00 C ATOM 405 NH1 ARG A 29 6.688 -2.176 -4.136 1.00 0.00 N ATOM 406 NH2 ARG A 29 7.638 -4.105 -4.698 1.00 0.00 N ATOM 0 H ARG A 29 4.215 -3.968 1.838 1.00 0.00 H new ATOM 0 HA ARG A 29 3.167 -5.014 -0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.922 -4.624 0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.761 -5.491 -0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.484 -2.756 -0.478 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.163 -2.910 -0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.895 -4.244 -2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.452 -2.622 -2.858 1.00 0.00 H new ATOM 0 HE ARG A 29 5.949 -5.159 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.988 -1.638 -3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.369 -1.697 -4.725 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.705 -5.121 -4.641 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.297 -3.582 -5.274 1.00 0.00 H new ATOM 420 N THR A 30 4.453 -7.346 1.411 1.00 0.00 N ATOM 421 CA THR A 30 4.459 -8.801 1.664 1.00 0.00 C ATOM 422 C THR A 30 3.039 -9.368 1.775 1.00 0.00 C ATOM 423 O THR A 30 2.735 -10.382 1.143 1.00 0.00 O ATOM 424 CB THR A 30 5.279 -9.147 2.920 1.00 0.00 C ATOM 425 OG1 THR A 30 6.623 -8.755 2.738 1.00 0.00 O ATOM 426 CG2 THR A 30 5.302 -10.645 3.237 1.00 0.00 C ATOM 0 H THR A 30 4.921 -6.803 2.137 1.00 0.00 H new ATOM 0 HA THR A 30 4.936 -9.270 0.803 1.00 0.00 H new ATOM 0 HB THR A 30 4.796 -8.618 3.741 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.697 -7.783 2.841 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.897 -10.818 4.134 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.284 -10.997 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.741 -11.187 2.400 1.00 0.00 H new ATOM 434 N LYS A 31 2.140 -8.691 2.507 1.00 0.00 N ATOM 435 CA LYS A 31 0.731 -9.094 2.667 1.00 0.00 C ATOM 436 C LYS A 31 -0.006 -9.109 1.325 1.00 0.00 C ATOM 437 O LYS A 31 -0.724 -10.064 1.037 1.00 0.00 O ATOM 438 CB LYS A 31 0.036 -8.168 3.692 1.00 0.00 C ATOM 439 CG LYS A 31 -0.763 -8.927 4.764 1.00 0.00 C ATOM 440 CD LYS A 31 -2.037 -9.639 4.282 1.00 0.00 C ATOM 441 CE LYS A 31 -3.107 -8.643 3.812 1.00 0.00 C ATOM 442 NZ LYS A 31 -4.411 -9.315 3.564 1.00 0.00 N ATOM 0 H LYS A 31 2.373 -7.836 3.012 1.00 0.00 H new ATOM 0 HA LYS A 31 0.701 -10.115 3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.790 -7.551 4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.635 -7.492 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.107 -9.669 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.040 -8.222 5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.787 -10.316 3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.439 -10.250 5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.236 -7.865 4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.771 -8.151 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.614 -9.314 2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.367 -10.296 3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.165 -8.806 4.068 1.00 0.00 H new ATOM 456 N VAL A 32 0.209 -8.096 0.480 1.00 0.00 N ATOM 457 CA VAL A 32 -0.380 -8.035 -0.870 1.00 0.00 C ATOM 458 C VAL A 32 0.191 -9.122 -1.783 1.00 0.00 C ATOM 459 O VAL A 32 -0.593 -9.849 -2.389 1.00 0.00 O ATOM 460 CB VAL A 32 -0.260 -6.628 -1.493 1.00 0.00 C ATOM 461 CG1 VAL A 32 -0.769 -6.601 -2.942 1.00 0.00 C ATOM 462 CG2 VAL A 32 -1.096 -5.619 -0.691 1.00 0.00 C ATOM 0 H VAL A 32 0.795 -7.293 0.708 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.446 -8.235 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 32 0.798 -6.365 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.668 -5.593 -3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.183 -7.294 -3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.818 -6.897 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.003 -4.630 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.142 -5.925 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.737 -5.585 0.338 1.00 0.00 H new ATOM 472 N CYS A 33 1.513 -9.316 -1.847 1.00 0.00 N ATOM 473 CA CYS A 33 2.127 -10.383 -2.654 1.00 0.00 C ATOM 474 C CYS A 33 1.612 -11.778 -2.257 1.00 0.00 C ATOM 475 O CYS A 33 1.271 -12.580 -3.130 1.00 0.00 O ATOM 476 CB CYS A 33 3.657 -10.305 -2.528 1.00 0.00 C ATOM 477 SG CYS A 33 4.283 -8.823 -3.374 1.00 0.00 S ATOM 0 H CYS A 33 2.188 -8.741 -1.343 1.00 0.00 H new ATOM 0 HA CYS A 33 1.842 -10.230 -3.695 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.942 -10.279 -1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.110 -11.197 -2.959 1.00 0.00 H new ATOM 0 HG CYS A 33 4.133 -7.787 -2.603 1.00 0.00 H new ATOM 483 N ALA A 34 1.476 -12.053 -0.954 1.00 0.00 N ATOM 484 CA ALA A 34 0.915 -13.304 -0.440 1.00 0.00 C ATOM 485 C ALA A 34 -0.580 -13.476 -0.786 1.00 0.00 C ATOM 486 O ALA A 34 -1.002 -14.568 -1.170 1.00 0.00 O ATOM 487 CB ALA A 34 1.145 -13.349 1.077 1.00 0.00 C ATOM 0 H ALA A 34 1.757 -11.403 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 34 1.424 -14.138 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.734 -14.274 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.214 -13.306 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.651 -12.498 1.545 1.00 0.00 H new ATOM 493 N MET A 35 -1.378 -12.405 -0.688 1.00 0.00 N ATOM 494 CA MET A 35 -2.820 -12.415 -0.989 1.00 0.00 C ATOM 495 C MET A 35 -3.115 -12.558 -2.494 1.00 0.00 C ATOM 496 O MET A 35 -4.006 -13.316 -2.882 1.00 0.00 O ATOM 497 CB MET A 35 -3.448 -11.138 -0.407 1.00 0.00 C ATOM 498 CG MET A 35 -4.977 -11.119 -0.505 1.00 0.00 C ATOM 499 SD MET A 35 -5.711 -9.610 0.185 1.00 0.00 S ATOM 500 CE MET A 35 -7.456 -10.103 0.204 1.00 0.00 C ATOM 0 H MET A 35 -1.036 -11.490 -0.393 1.00 0.00 H new ATOM 0 HA MET A 35 -3.267 -13.294 -0.524 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.156 -11.041 0.639 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.046 -10.271 -0.932 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.270 -11.214 -1.551 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.380 -11.985 0.019 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.060 -9.288 0.602 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.780 -10.333 -0.811 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.578 -10.985 0.832 1.00 0.00 H new ATOM 510 N LYS A 36 -2.356 -11.860 -3.352 1.00 0.00 N ATOM 511 CA LYS A 36 -2.417 -11.983 -4.823 1.00 0.00 C ATOM 512 C LYS A 36 -1.819 -13.299 -5.330 1.00 0.00 C ATOM 513 O LYS A 36 -2.291 -13.816 -6.342 1.00 0.00 O ATOM 514 CB LYS A 36 -1.698 -10.791 -5.483 1.00 0.00 C ATOM 515 CG LYS A 36 -2.319 -9.406 -5.225 1.00 0.00 C ATOM 516 CD LYS A 36 -3.759 -9.224 -5.738 1.00 0.00 C ATOM 517 CE LYS A 36 -4.856 -9.610 -4.729 1.00 0.00 C ATOM 518 NZ LYS A 36 -4.967 -8.642 -3.601 1.00 0.00 N ATOM 0 H LYS A 36 -1.666 -11.178 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.471 -11.981 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.665 -10.776 -5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.668 -10.960 -6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.306 -9.215 -4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.687 -8.650 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.899 -8.182 -6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.887 -9.823 -6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.814 -9.671 -5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.645 -10.603 -4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.763 -8.912 -2.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.086 -8.651 -3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.129 -7.686 -3.978 1.00 0.00 H new ATOM 532 N LYS A 37 -0.843 -13.867 -4.610 1.00 0.00 N ATOM 533 CA LYS A 37 -0.035 -15.054 -4.974 1.00 0.00 C ATOM 534 C LYS A 37 0.926 -14.797 -6.154 1.00 0.00 C ATOM 535 O LYS A 37 1.195 -15.694 -6.957 1.00 0.00 O ATOM 536 CB LYS A 37 -0.921 -16.309 -5.161 1.00 0.00 C ATOM 537 CG LYS A 37 -1.909 -16.590 -4.010 1.00 0.00 C ATOM 538 CD LYS A 37 -3.100 -17.468 -4.431 1.00 0.00 C ATOM 539 CE LYS A 37 -4.298 -16.668 -4.980 1.00 0.00 C ATOM 540 NZ LYS A 37 -4.078 -16.106 -6.340 1.00 0.00 N ATOM 0 H LYS A 37 -0.574 -13.492 -3.700 1.00 0.00 H new ATOM 0 HA LYS A 37 0.620 -15.262 -4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.487 -16.201 -6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.273 -17.177 -5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.376 -17.079 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.284 -15.643 -3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.768 -18.175 -5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.429 -18.054 -3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.174 -17.316 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.523 -15.852 -4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.989 -15.808 -6.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.442 -15.286 -6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.649 -16.831 -6.950 1.00 0.00 H new ATOM 554 N LEU A 38 1.419 -13.558 -6.276 1.00 0.00 N ATOM 555 CA LEU A 38 2.297 -13.074 -7.354 1.00 0.00 C ATOM 556 C LEU A 38 3.554 -12.364 -6.797 1.00 0.00 C ATOM 557 O LEU A 38 3.513 -11.829 -5.683 1.00 0.00 O ATOM 558 CB LEU A 38 1.510 -12.146 -8.304 1.00 0.00 C ATOM 559 CG LEU A 38 0.802 -12.886 -9.458 1.00 0.00 C ATOM 560 CD1 LEU A 38 -0.617 -13.328 -9.108 1.00 0.00 C ATOM 561 CD2 LEU A 38 0.710 -11.975 -10.680 1.00 0.00 C ATOM 0 H LEU A 38 1.208 -12.829 -5.594 1.00 0.00 H new ATOM 0 HA LEU A 38 2.645 -13.939 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.766 -11.598 -7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.194 -11.408 -8.724 1.00 0.00 H new ATOM 0 HG LEU A 38 1.401 -13.774 -9.658 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.059 -13.842 -9.962 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.587 -14.004 -8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.219 -12.454 -8.859 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.209 -12.504 -11.491 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.142 -11.080 -10.425 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.713 -11.690 -10.998 1.00 0.00 H new ATOM 573 N PRO A 39 4.672 -12.347 -7.554 1.00 0.00 N ATOM 574 CA PRO A 39 5.941 -11.755 -7.122 1.00 0.00 C ATOM 575 C PRO A 39 5.891 -10.215 -7.018 1.00 0.00 C ATOM 576 O PRO A 39 5.060 -9.570 -7.669 1.00 0.00 O ATOM 577 CB PRO A 39 6.973 -12.220 -8.158 1.00 0.00 C ATOM 578 CG PRO A 39 6.146 -12.383 -9.430 1.00 0.00 C ATOM 579 CD PRO A 39 4.817 -12.910 -8.894 1.00 0.00 C ATOM 0 HA PRO A 39 6.194 -12.080 -6.113 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.770 -11.488 -8.288 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.445 -13.157 -7.863 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.024 -11.438 -9.959 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.608 -13.081 -10.128 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.990 -12.607 -9.536 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.814 -14.000 -8.862 1.00 0.00 H new ATOM 587 N PRO A 40 6.817 -9.597 -6.254 1.00 0.00 N ATOM 588 CA PRO A 40 6.879 -8.144 -6.057 1.00 0.00 C ATOM 589 C PRO A 40 7.185 -7.341 -7.335 1.00 0.00 C ATOM 590 O PRO A 40 6.965 -6.133 -7.353 1.00 0.00 O ATOM 591 CB PRO A 40 7.959 -7.929 -4.988 1.00 0.00 C ATOM 592 CG PRO A 40 8.870 -9.143 -5.144 1.00 0.00 C ATOM 593 CD PRO A 40 7.877 -10.247 -5.492 1.00 0.00 C ATOM 0 HA PRO A 40 5.901 -7.771 -5.753 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.502 -6.998 -5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.528 -7.878 -3.988 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.610 -8.998 -5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.418 -9.362 -4.227 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.354 -11.033 -6.077 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.481 -10.716 -4.591 1.00 0.00 H new ATOM 601 N ASP A 41 7.664 -7.973 -8.409 1.00 0.00 N ATOM 602 CA ASP A 41 7.871 -7.324 -9.714 1.00 0.00 C ATOM 603 C ASP A 41 6.544 -6.971 -10.433 1.00 0.00 C ATOM 604 O ASP A 41 6.501 -6.051 -11.253 1.00 0.00 O ATOM 605 CB ASP A 41 8.728 -8.259 -10.585 1.00 0.00 C ATOM 606 CG ASP A 41 9.281 -7.587 -11.857 1.00 0.00 C ATOM 607 OD1 ASP A 41 9.680 -6.398 -11.806 1.00 0.00 O ATOM 608 OD2 ASP A 41 9.373 -8.270 -12.906 1.00 0.00 O ATOM 0 H ASP A 41 7.923 -8.960 -8.401 1.00 0.00 H new ATOM 0 HA ASP A 41 8.380 -6.374 -9.548 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.562 -8.632 -9.990 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.129 -9.123 -10.872 1.00 0.00 H new ATOM 613 N THR A 42 5.454 -7.688 -10.127 1.00 0.00 N ATOM 614 CA THR A 42 4.136 -7.549 -10.784 1.00 0.00 C ATOM 615 C THR A 42 3.191 -6.580 -10.050 1.00 0.00 C ATOM 616 O THR A 42 2.064 -6.350 -10.495 1.00 0.00 O ATOM 617 CB THR A 42 3.485 -8.935 -11.003 1.00 0.00 C ATOM 618 OG1 THR A 42 4.432 -9.859 -11.505 1.00 0.00 O ATOM 619 CG2 THR A 42 2.339 -8.931 -12.021 1.00 0.00 C ATOM 0 H THR A 42 5.459 -8.401 -9.397 1.00 0.00 H new ATOM 0 HA THR A 42 4.316 -7.097 -11.760 1.00 0.00 H new ATOM 0 HB THR A 42 3.101 -9.210 -10.020 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.002 -10.730 -11.635 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.935 -9.939 -12.118 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.553 -8.257 -11.681 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.713 -8.595 -12.988 1.00 0.00 H new ATOM 627 N THR A 43 3.632 -5.969 -8.943 1.00 0.00 N ATOM 628 CA THR A 43 2.837 -5.038 -8.117 1.00 0.00 C ATOM 629 C THR A 43 3.652 -3.815 -7.682 1.00 0.00 C ATOM 630 O THR A 43 4.834 -3.927 -7.352 1.00 0.00 O ATOM 631 CB THR A 43 2.181 -5.766 -6.930 1.00 0.00 C ATOM 632 OG1 THR A 43 1.403 -4.878 -6.154 1.00 0.00 O ATOM 633 CG2 THR A 43 3.159 -6.460 -5.980 1.00 0.00 C ATOM 0 H THR A 43 4.576 -6.109 -8.584 1.00 0.00 H new ATOM 0 HA THR A 43 2.029 -4.654 -8.739 1.00 0.00 H new ATOM 0 HB THR A 43 1.570 -6.535 -7.403 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.996 -5.366 -5.408 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.604 -6.944 -5.177 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.730 -7.208 -6.529 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.840 -5.722 -5.557 1.00 0.00 H new ATOM 641 N ARG A 44 3.027 -2.631 -7.691 1.00 0.00 N ATOM 642 CA ARG A 44 3.652 -1.322 -7.399 1.00 0.00 C ATOM 643 C ARG A 44 2.777 -0.503 -6.447 1.00 0.00 C ATOM 644 O ARG A 44 1.557 -0.510 -6.585 1.00 0.00 O ATOM 645 CB ARG A 44 3.904 -0.557 -8.716 1.00 0.00 C ATOM 646 CG ARG A 44 4.936 -1.248 -9.630 1.00 0.00 C ATOM 647 CD ARG A 44 5.076 -0.560 -10.994 1.00 0.00 C ATOM 648 NE ARG A 44 5.651 0.798 -10.894 1.00 0.00 N ATOM 649 CZ ARG A 44 5.843 1.641 -11.894 1.00 0.00 C ATOM 650 NH1 ARG A 44 5.531 1.343 -13.125 1.00 0.00 N ATOM 651 NH2 ARG A 44 6.360 2.816 -11.672 1.00 0.00 N ATOM 0 H ARG A 44 2.034 -2.549 -7.909 1.00 0.00 H new ATOM 0 HA ARG A 44 4.609 -1.490 -6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.962 -0.454 -9.255 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.250 0.450 -8.484 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.906 -1.259 -9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.643 -2.287 -9.781 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.707 -1.170 -11.641 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.096 -0.501 -11.468 1.00 0.00 H new ATOM 0 HE ARG A 44 5.926 1.115 -9.964 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.124 0.433 -13.342 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.694 2.020 -13.871 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.618 3.089 -10.724 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.506 3.463 -12.447 1.00 0.00 H new ATOM 665 N LEU A 45 3.391 0.209 -5.500 1.00 0.00 N ATOM 666 CA LEU A 45 2.724 0.917 -4.395 1.00 0.00 C ATOM 667 C LEU A 45 3.245 2.358 -4.273 1.00 0.00 C ATOM 668 O LEU A 45 4.459 2.573 -4.214 1.00 0.00 O ATOM 669 CB LEU A 45 2.942 0.097 -3.103 1.00 0.00 C ATOM 670 CG LEU A 45 2.489 0.760 -1.787 1.00 0.00 C ATOM 671 CD1 LEU A 45 0.983 1.012 -1.727 1.00 0.00 C ATOM 672 CD2 LEU A 45 2.858 -0.148 -0.614 1.00 0.00 C ATOM 0 H LEU A 45 4.405 0.315 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 45 1.654 1.002 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.415 -0.851 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.004 -0.136 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 45 2.994 1.724 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.730 1.480 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.692 1.671 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.452 0.065 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.540 0.316 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.360 -1.111 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.938 -0.298 -0.595 1.00 0.00 H new ATOM 684 N THR A 46 2.338 3.338 -4.208 1.00 0.00 N ATOM 685 CA THR A 46 2.665 4.776 -4.132 1.00 0.00 C ATOM 686 C THR A 46 1.758 5.545 -3.164 1.00 0.00 C ATOM 687 O THR A 46 0.600 5.184 -2.930 1.00 0.00 O ATOM 688 CB THR A 46 2.633 5.453 -5.520 1.00 0.00 C ATOM 689 OG1 THR A 46 1.369 5.330 -6.144 1.00 0.00 O ATOM 690 CG2 THR A 46 3.670 4.885 -6.491 1.00 0.00 C ATOM 0 H THR A 46 1.334 3.156 -4.206 1.00 0.00 H new ATOM 0 HA THR A 46 3.682 4.817 -3.743 1.00 0.00 H new ATOM 0 HB THR A 46 2.860 6.499 -5.313 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.391 5.773 -7.018 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.595 5.403 -7.447 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.669 5.026 -6.079 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.485 3.821 -6.639 1.00 0.00 H new ATOM 698 N TYR A 47 2.289 6.649 -2.633 1.00 0.00 N ATOM 699 CA TYR A 47 1.602 7.611 -1.764 1.00 0.00 C ATOM 700 C TYR A 47 2.084 9.041 -2.067 1.00 0.00 C ATOM 701 O TYR A 47 3.277 9.258 -2.279 1.00 0.00 O ATOM 702 CB TYR A 47 1.856 7.244 -0.292 1.00 0.00 C ATOM 703 CG TYR A 47 1.439 8.325 0.694 1.00 0.00 C ATOM 704 CD1 TYR A 47 0.123 8.821 0.672 1.00 0.00 C ATOM 705 CD2 TYR A 47 2.390 8.902 1.559 1.00 0.00 C ATOM 706 CE1 TYR A 47 -0.232 9.926 1.469 1.00 0.00 C ATOM 707 CE2 TYR A 47 2.033 9.992 2.378 1.00 0.00 C ATOM 708 CZ TYR A 47 0.724 10.518 2.318 1.00 0.00 C ATOM 709 OH TYR A 47 0.385 11.622 3.038 1.00 0.00 O ATOM 0 H TYR A 47 3.260 6.911 -2.806 1.00 0.00 H new ATOM 0 HA TYR A 47 0.529 7.572 -1.954 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.317 6.326 -0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.917 7.034 -0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.618 8.352 0.041 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.395 8.508 1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.237 10.320 1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.759 10.424 3.050 1.00 0.00 H new ATOM 0 HH TYR A 47 1.152 11.910 3.576 1.00 0.00 H new ATOM 719 N LYS A 48 1.169 10.024 -2.100 1.00 0.00 N ATOM 720 CA LYS A 48 1.471 11.455 -2.342 1.00 0.00 C ATOM 721 C LYS A 48 2.252 11.715 -3.653 1.00 0.00 C ATOM 722 O LYS A 48 3.068 12.635 -3.738 1.00 0.00 O ATOM 723 CB LYS A 48 2.152 12.036 -1.080 1.00 0.00 C ATOM 724 CG LYS A 48 1.961 13.552 -0.889 1.00 0.00 C ATOM 725 CD LYS A 48 0.849 13.920 0.109 1.00 0.00 C ATOM 726 CE LYS A 48 -0.535 13.411 -0.311 1.00 0.00 C ATOM 727 NZ LYS A 48 -1.575 13.809 0.674 1.00 0.00 N ATOM 0 H LYS A 48 0.175 9.848 -1.957 1.00 0.00 H new ATOM 0 HA LYS A 48 0.535 11.988 -2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.762 11.520 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.219 11.821 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.901 13.986 -0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.733 14.004 -1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.098 13.509 1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.812 15.004 0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.789 13.809 -1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.514 12.325 -0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.501 13.451 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.343 13.408 1.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.610 14.846 0.742 1.00 0.00 H new ATOM 741 N GLY A 49 2.032 10.876 -4.671 1.00 0.00 N ATOM 742 CA GLY A 49 2.753 10.905 -5.954 1.00 0.00 C ATOM 743 C GLY A 49 4.201 10.386 -5.897 1.00 0.00 C ATOM 744 O GLY A 49 4.994 10.693 -6.792 1.00 0.00 O ATOM 0 H GLY A 49 1.330 10.138 -4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.198 10.310 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.764 11.930 -6.324 1.00 0.00 H new ATOM 748 N ARG A 50 4.564 9.630 -4.849 1.00 0.00 N ATOM 749 CA ARG A 50 5.937 9.209 -4.507 1.00 0.00 C ATOM 750 C ARG A 50 5.986 7.713 -4.151 1.00 0.00 C ATOM 751 O ARG A 50 5.070 7.181 -3.520 1.00 0.00 O ATOM 752 CB ARG A 50 6.432 10.126 -3.356 1.00 0.00 C ATOM 753 CG ARG A 50 7.902 10.572 -3.437 1.00 0.00 C ATOM 754 CD ARG A 50 8.895 9.480 -3.036 1.00 0.00 C ATOM 755 NE ARG A 50 10.289 9.949 -3.108 1.00 0.00 N ATOM 756 CZ ARG A 50 11.363 9.210 -2.902 1.00 0.00 C ATOM 757 NH1 ARG A 50 11.285 7.955 -2.555 1.00 0.00 N ATOM 758 NH2 ARG A 50 12.552 9.724 -3.047 1.00 0.00 N ATOM 0 H ARG A 50 3.877 9.277 -4.183 1.00 0.00 H new ATOM 0 HA ARG A 50 6.605 9.320 -5.361 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.803 11.016 -3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.283 9.603 -2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.120 10.894 -4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.047 11.438 -2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.677 9.146 -2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.769 8.617 -3.690 1.00 0.00 H new ATOM 0 HE ARG A 50 10.438 10.932 -3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.373 7.515 -2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.136 7.414 -2.404 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.655 10.701 -3.321 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.379 9.149 -2.887 1.00 0.00 H new ATOM 772 N ALA A 51 7.056 7.025 -4.547 1.00 0.00 N ATOM 773 CA ALA A 51 7.361 5.663 -4.098 1.00 0.00 C ATOM 774 C ALA A 51 7.917 5.642 -2.661 1.00 0.00 C ATOM 775 O ALA A 51 8.804 6.434 -2.323 1.00 0.00 O ATOM 776 CB ALA A 51 8.355 5.036 -5.084 1.00 0.00 C ATOM 0 H ALA A 51 7.746 7.401 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 51 6.440 5.080 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.593 4.021 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.912 5.009 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.267 5.632 -5.109 1.00 0.00 H new ATOM 782 N LEU A 52 7.431 4.714 -1.832 1.00 0.00 N ATOM 783 CA LEU A 52 7.947 4.453 -0.480 1.00 0.00 C ATOM 784 C LEU A 52 8.799 3.170 -0.458 1.00 0.00 C ATOM 785 O LEU A 52 8.399 2.151 -1.028 1.00 0.00 O ATOM 786 CB LEU A 52 6.786 4.338 0.531 1.00 0.00 C ATOM 787 CG LEU A 52 5.801 5.522 0.594 1.00 0.00 C ATOM 788 CD1 LEU A 52 4.741 5.226 1.660 1.00 0.00 C ATOM 789 CD2 LEU A 52 6.485 6.842 0.954 1.00 0.00 C ATOM 0 H LEU A 52 6.650 4.108 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 52 8.579 5.293 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.220 3.437 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.213 4.198 1.524 1.00 0.00 H new ATOM 0 HG LEU A 52 5.362 5.632 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.038 6.057 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.205 4.314 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.225 5.096 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.743 7.640 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.960 6.751 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.240 7.077 0.204 1.00 0.00 H new ATOM 801 N LYS A 53 9.948 3.205 0.230 1.00 0.00 N ATOM 802 CA LYS A 53 10.802 2.033 0.520 1.00 0.00 C ATOM 803 C LYS A 53 11.730 2.305 1.711 1.00 0.00 C ATOM 804 O LYS A 53 12.143 3.444 1.922 1.00 0.00 O ATOM 805 CB LYS A 53 11.639 1.654 -0.723 1.00 0.00 C ATOM 806 CG LYS A 53 11.863 0.133 -0.840 1.00 0.00 C ATOM 807 CD LYS A 53 10.803 -0.571 -1.708 1.00 0.00 C ATOM 808 CE LYS A 53 10.943 -0.260 -3.210 1.00 0.00 C ATOM 809 NZ LYS A 53 12.179 -0.847 -3.800 1.00 0.00 N ATOM 0 H LYS A 53 10.325 4.072 0.614 1.00 0.00 H new ATOM 0 HA LYS A 53 10.148 1.200 0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.136 2.014 -1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.604 2.158 -0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.850 -0.051 -1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.857 -0.307 0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.878 -1.648 -1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.810 -0.270 -1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.072 -0.645 -3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.952 0.820 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.161 -0.728 -4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.013 -0.364 -3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.227 -1.860 -3.569 1.00 0.00 H new ATOM 823 N ASP A 54 12.073 1.257 2.464 1.00 0.00 N ATOM 824 CA ASP A 54 13.046 1.274 3.578 1.00 0.00 C ATOM 825 C ASP A 54 12.764 2.333 4.674 1.00 0.00 C ATOM 826 O ASP A 54 13.672 2.832 5.342 1.00 0.00 O ATOM 827 CB ASP A 54 14.479 1.337 3.009 1.00 0.00 C ATOM 828 CG ASP A 54 15.583 0.910 4.001 1.00 0.00 C ATOM 829 OD1 ASP A 54 15.317 0.108 4.930 1.00 0.00 O ATOM 830 OD2 ASP A 54 16.750 1.334 3.811 1.00 0.00 O ATOM 0 H ASP A 54 11.669 0.333 2.315 1.00 0.00 H new ATOM 0 HA ASP A 54 12.929 0.337 4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.534 0.699 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.680 2.356 2.678 1.00 0.00 H new ATOM 835 N THR A 55 11.489 2.703 4.850 1.00 0.00 N ATOM 836 CA THR A 55 11.041 3.715 5.830 1.00 0.00 C ATOM 837 C THR A 55 11.043 3.201 7.278 1.00 0.00 C ATOM 838 O THR A 55 11.157 3.994 8.214 1.00 0.00 O ATOM 839 CB THR A 55 9.629 4.237 5.503 1.00 0.00 C ATOM 840 OG1 THR A 55 8.659 3.215 5.625 1.00 0.00 O ATOM 841 CG2 THR A 55 9.508 4.836 4.099 1.00 0.00 C ATOM 0 H THR A 55 10.722 2.304 4.308 1.00 0.00 H new ATOM 0 HA THR A 55 11.768 4.523 5.750 1.00 0.00 H new ATOM 0 HB THR A 55 9.450 5.027 6.232 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.774 3.577 5.413 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.487 5.183 3.938 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.196 5.676 4.001 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.754 4.077 3.357 1.00 0.00 H new ATOM 849 N GLU A 56 10.928 1.879 7.457 1.00 0.00 N ATOM 850 CA GLU A 56 10.699 1.137 8.711 1.00 0.00 C ATOM 851 C GLU A 56 9.385 1.485 9.441 1.00 0.00 C ATOM 852 O GLU A 56 8.557 0.599 9.655 1.00 0.00 O ATOM 853 CB GLU A 56 11.946 1.188 9.613 1.00 0.00 C ATOM 854 CG GLU A 56 11.882 0.140 10.734 1.00 0.00 C ATOM 855 CD GLU A 56 13.155 0.077 11.607 1.00 0.00 C ATOM 856 OE1 GLU A 56 14.141 0.816 11.359 1.00 0.00 O ATOM 857 OE2 GLU A 56 13.182 -0.738 12.563 1.00 0.00 O ATOM 0 H GLU A 56 10.998 1.243 6.662 1.00 0.00 H new ATOM 0 HA GLU A 56 10.544 0.096 8.426 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.838 1.021 9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.038 2.182 10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.026 0.358 11.373 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.708 -0.841 10.291 1.00 0.00 H new ATOM 864 N THR A 57 9.153 2.757 9.770 1.00 0.00 N ATOM 865 CA THR A 57 7.941 3.272 10.433 1.00 0.00 C ATOM 866 C THR A 57 7.612 4.690 9.961 1.00 0.00 C ATOM 867 O THR A 57 8.481 5.564 9.914 1.00 0.00 O ATOM 868 CB THR A 57 8.066 3.255 11.973 1.00 0.00 C ATOM 869 OG1 THR A 57 9.339 3.676 12.428 1.00 0.00 O ATOM 870 CG2 THR A 57 7.832 1.864 12.563 1.00 0.00 C ATOM 0 H THR A 57 9.831 3.493 9.575 1.00 0.00 H new ATOM 0 HA THR A 57 7.128 2.603 10.151 1.00 0.00 H new ATOM 0 HB THR A 57 7.297 3.951 12.308 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.362 3.648 13.407 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.931 1.907 13.648 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.830 1.523 12.304 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.568 1.169 12.159 1.00 0.00 H new ATOM 878 N LEU A 58 6.339 4.941 9.632 1.00 0.00 N ATOM 879 CA LEU A 58 5.866 6.234 9.109 1.00 0.00 C ATOM 880 C LEU A 58 5.982 7.372 10.135 1.00 0.00 C ATOM 881 O LEU A 58 6.260 8.513 9.767 1.00 0.00 O ATOM 882 CB LEU A 58 4.404 6.091 8.638 1.00 0.00 C ATOM 883 CG LEU A 58 4.177 5.111 7.466 1.00 0.00 C ATOM 884 CD1 LEU A 58 2.677 4.961 7.202 1.00 0.00 C ATOM 885 CD2 LEU A 58 4.845 5.588 6.174 1.00 0.00 C ATOM 0 H LEU A 58 5.598 4.246 9.722 1.00 0.00 H new ATOM 0 HA LEU A 58 6.509 6.503 8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.798 5.766 9.484 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.038 7.074 8.343 1.00 0.00 H new ATOM 0 HG LEU A 58 4.622 4.159 7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.521 4.269 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.187 4.575 8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.253 5.933 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.657 4.866 5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.435 6.557 5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.919 5.681 6.333 1.00 0.00 H new ATOM 897 N GLU A 59 5.818 7.073 11.426 1.00 0.00 N ATOM 898 CA GLU A 59 5.905 8.055 12.519 1.00 0.00 C ATOM 899 C GLU A 59 7.292 8.718 12.637 1.00 0.00 C ATOM 900 O GLU A 59 7.385 9.878 13.044 1.00 0.00 O ATOM 901 CB GLU A 59 5.449 7.365 13.815 1.00 0.00 C ATOM 902 CG GLU A 59 5.300 8.295 15.033 1.00 0.00 C ATOM 903 CD GLU A 59 6.592 8.550 15.842 1.00 0.00 C ATOM 904 OE1 GLU A 59 7.547 7.735 15.791 1.00 0.00 O ATOM 905 OE2 GLU A 59 6.640 9.559 16.590 1.00 0.00 O ATOM 0 H GLU A 59 5.618 6.127 11.751 1.00 0.00 H new ATOM 0 HA GLU A 59 5.241 8.892 12.303 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.492 6.877 13.631 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.165 6.581 14.062 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.913 9.254 14.690 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.552 7.870 15.702 1.00 0.00 H new ATOM 912 N SER A 60 8.356 8.035 12.202 1.00 0.00 N ATOM 913 CA SER A 60 9.727 8.572 12.155 1.00 0.00 C ATOM 914 C SER A 60 9.928 9.640 11.070 1.00 0.00 C ATOM 915 O SER A 60 10.789 10.511 11.218 1.00 0.00 O ATOM 916 CB SER A 60 10.725 7.436 11.894 1.00 0.00 C ATOM 917 OG SER A 60 10.565 6.389 12.839 1.00 0.00 O ATOM 0 H SER A 60 8.291 7.074 11.865 1.00 0.00 H new ATOM 0 HA SER A 60 9.898 9.041 13.124 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.581 7.046 10.886 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.743 7.823 11.944 1.00 0.00 H new ATOM 0 HG SER A 60 10.128 5.624 12.409 1.00 0.00 H new ATOM 923 N LEU A 61 9.153 9.578 9.978 1.00 0.00 N ATOM 924 CA LEU A 61 9.241 10.500 8.833 1.00 0.00 C ATOM 925 C LEU A 61 8.169 11.606 8.868 1.00 0.00 C ATOM 926 O LEU A 61 8.427 12.725 8.418 1.00 0.00 O ATOM 927 CB LEU A 61 9.162 9.693 7.523 1.00 0.00 C ATOM 928 CG LEU A 61 10.229 8.592 7.360 1.00 0.00 C ATOM 929 CD1 LEU A 61 10.071 7.926 5.993 1.00 0.00 C ATOM 930 CD2 LEU A 61 11.661 9.125 7.455 1.00 0.00 C ATOM 0 H LEU A 61 8.429 8.869 9.862 1.00 0.00 H new ATOM 0 HA LEU A 61 10.200 11.014 8.893 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.176 9.232 7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.246 10.384 6.684 1.00 0.00 H new ATOM 0 HG LEU A 61 10.072 7.888 8.177 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.825 7.148 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.078 7.483 5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.197 8.672 5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.365 8.302 7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.827 9.864 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.812 9.590 8.429 1.00 0.00 H new ATOM 942 N GLY A 62 6.983 11.306 9.410 1.00 0.00 N ATOM 943 CA GLY A 62 5.857 12.234 9.564 1.00 0.00 C ATOM 944 C GLY A 62 4.515 11.576 9.225 1.00 0.00 C ATOM 945 O GLY A 62 4.007 11.735 8.113 1.00 0.00 O ATOM 0 H GLY A 62 6.773 10.374 9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.830 12.603 10.589 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.010 13.098 8.918 1.00 0.00 H new ATOM 949 N VAL A 63 3.944 10.832 10.178 1.00 0.00 N ATOM 950 CA VAL A 63 2.616 10.198 10.054 1.00 0.00 C ATOM 951 C VAL A 63 1.484 11.241 10.085 1.00 0.00 C ATOM 952 O VAL A 63 1.591 12.266 10.767 1.00 0.00 O ATOM 953 CB VAL A 63 2.440 9.085 11.113 1.00 0.00 C ATOM 954 CG1 VAL A 63 2.370 9.611 12.554 1.00 0.00 C ATOM 955 CG2 VAL A 63 1.203 8.219 10.856 1.00 0.00 C ATOM 0 H VAL A 63 4.395 10.647 11.074 1.00 0.00 H new ATOM 0 HA VAL A 63 2.554 9.719 9.077 1.00 0.00 H new ATOM 0 HB VAL A 63 3.340 8.480 11.009 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.246 8.774 13.241 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.291 10.143 12.792 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.523 10.290 12.653 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.128 7.454 11.629 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.310 8.844 10.876 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.289 7.742 9.880 1.00 0.00 H new ATOM 965 N ALA A 64 0.394 10.983 9.357 1.00 0.00 N ATOM 966 CA ALA A 64 -0.799 11.832 9.275 1.00 0.00 C ATOM 967 C ALA A 64 -2.091 10.996 9.105 1.00 0.00 C ATOM 968 O ALA A 64 -2.045 9.786 8.863 1.00 0.00 O ATOM 969 CB ALA A 64 -0.593 12.852 8.142 1.00 0.00 C ATOM 0 H ALA A 64 0.315 10.142 8.785 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.933 12.372 10.212 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.471 13.493 8.066 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.284 13.462 8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.446 12.324 7.200 1.00 0.00 H new ATOM 975 N ASP A 65 -3.251 11.639 9.267 1.00 0.00 N ATOM 976 CA ASP A 65 -4.584 11.015 9.229 1.00 0.00 C ATOM 977 C ASP A 65 -5.370 11.331 7.949 1.00 0.00 C ATOM 978 O ASP A 65 -5.284 12.437 7.407 1.00 0.00 O ATOM 979 CB ASP A 65 -5.378 11.441 10.470 1.00 0.00 C ATOM 980 CG ASP A 65 -4.723 10.941 11.763 1.00 0.00 C ATOM 981 OD1 ASP A 65 -4.477 9.713 11.866 1.00 0.00 O ATOM 982 OD2 ASP A 65 -4.486 11.766 12.677 1.00 0.00 O ATOM 0 H ASP A 65 -3.293 12.644 9.434 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.436 9.935 9.228 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.454 12.528 10.498 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.394 11.052 10.403 1.00 0.00 H new ATOM 987 N GLY A 66 -6.169 10.365 7.482 1.00 0.00 N ATOM 988 CA GLY A 66 -6.965 10.486 6.255 1.00 0.00 C ATOM 989 C GLY A 66 -6.154 10.356 4.954 1.00 0.00 C ATOM 990 O GLY A 66 -6.660 10.691 3.879 1.00 0.00 O ATOM 0 H GLY A 66 -6.282 9.466 7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.741 9.720 6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.470 11.452 6.258 1.00 0.00 H new ATOM 994 N ASP A 67 -4.906 9.884 5.034 1.00 0.00 N ATOM 995 CA ASP A 67 -4.057 9.581 3.874 1.00 0.00 C ATOM 996 C ASP A 67 -4.629 8.422 3.033 1.00 0.00 C ATOM 997 O ASP A 67 -5.426 7.611 3.522 1.00 0.00 O ATOM 998 CB ASP A 67 -2.619 9.252 4.317 1.00 0.00 C ATOM 999 CG ASP A 67 -1.890 10.348 5.118 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -2.330 11.523 5.125 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -0.846 10.020 5.731 1.00 0.00 O ATOM 0 H ASP A 67 -4.447 9.697 5.925 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.039 10.474 3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.645 8.345 4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.029 9.026 3.429 1.00 0.00 H new ATOM 1006 N LYS A 68 -4.205 8.318 1.766 1.00 0.00 N ATOM 1007 CA LYS A 68 -4.647 7.258 0.847 1.00 0.00 C ATOM 1008 C LYS A 68 -3.521 6.688 -0.014 1.00 0.00 C ATOM 1009 O LYS A 68 -2.759 7.435 -0.624 1.00 0.00 O ATOM 1010 CB LYS A 68 -5.885 7.706 0.047 1.00 0.00 C ATOM 1011 CG LYS A 68 -5.708 8.925 -0.878 1.00 0.00 C ATOM 1012 CD LYS A 68 -5.477 8.540 -2.349 1.00 0.00 C ATOM 1013 CE LYS A 68 -5.324 9.772 -3.252 1.00 0.00 C ATOM 1014 NZ LYS A 68 -6.589 10.549 -3.381 1.00 0.00 N ATOM 0 H LYS A 68 -3.542 8.970 1.347 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.958 6.409 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.221 6.865 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.684 7.929 0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.593 9.557 -0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.864 9.519 -0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.582 7.922 -2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.313 7.935 -2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.544 10.419 -2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.995 9.454 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.445 11.340 -4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.342 9.929 -3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.865 10.921 -2.450 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.424 5.361 -0.055 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.417 4.609 -0.811 1.00 0.00 C ATOM 1030 C PHE A 69 -3.006 4.054 -2.115 1.00 0.00 C ATOM 1031 O PHE A 69 -4.122 3.528 -2.121 1.00 0.00 O ATOM 1032 CB PHE A 69 -1.862 3.466 0.057 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.295 3.826 1.426 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -0.743 5.097 1.692 1.00 0.00 C ATOM 1035 CD2 PHE A 69 -1.298 2.853 2.444 1.00 0.00 C ATOM 1036 CE1 PHE A 69 -0.214 5.392 2.962 1.00 0.00 C ATOM 1037 CE2 PHE A 69 -0.765 3.146 3.714 1.00 0.00 C ATOM 1038 CZ PHE A 69 -0.225 4.417 3.975 1.00 0.00 C ATOM 0 H PHE A 69 -4.067 4.755 0.455 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.605 5.286 -1.074 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.661 2.740 0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.077 2.965 -0.510 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.726 5.848 0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.712 1.875 2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.201 6.369 3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.771 2.393 4.488 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.180 4.644 4.950 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.248 4.125 -3.212 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.632 3.571 -4.524 1.00 0.00 C ATOM 1050 C VAL A 70 -1.727 2.389 -4.865 1.00 0.00 C ATOM 1051 O VAL A 70 -0.507 2.475 -4.702 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.602 4.655 -5.621 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -3.005 4.094 -6.991 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -3.552 5.816 -5.290 1.00 0.00 C ATOM 0 H VAL A 70 -1.333 4.576 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.660 3.212 -4.471 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.573 5.012 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.971 4.890 -7.735 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.314 3.301 -7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.017 3.692 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.506 6.562 -6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.571 5.439 -5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.254 6.272 -4.346 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.316 1.286 -5.340 1.00 0.00 N ATOM 1065 CA LEU A 71 -1.593 0.056 -5.673 1.00 0.00 C ATOM 1066 C LEU A 71 -1.974 -0.461 -7.067 1.00 0.00 C ATOM 1067 O LEU A 71 -3.151 -0.666 -7.367 1.00 0.00 O ATOM 1068 CB LEU A 71 -1.778 -0.967 -4.537 1.00 0.00 C ATOM 1069 CG LEU A 71 -0.977 -2.267 -4.760 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -0.375 -2.738 -3.439 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -1.861 -3.389 -5.310 1.00 0.00 C ATOM 0 H LEU A 71 -3.320 1.223 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.524 0.257 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.470 -0.514 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.836 -1.210 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.194 -2.045 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.189 -3.656 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.290 -1.968 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.174 -2.926 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.261 -4.288 -5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.665 -3.598 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.288 -3.081 -6.265 1.00 0.00 H new ATOM 1083 N ILE A 72 -0.967 -0.665 -7.915 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.089 -0.974 -9.347 1.00 0.00 C ATOM 1085 C ILE A 72 -0.589 -2.398 -9.634 1.00 0.00 C ATOM 1086 O ILE A 72 0.476 -2.790 -9.154 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.320 0.081 -10.180 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -0.751 1.538 -9.887 1.00 0.00 C ATOM 1089 CG2 ILE A 72 -0.412 -0.208 -11.690 1.00 0.00 C ATOM 1090 CD1 ILE A 72 -2.228 1.867 -10.154 1.00 0.00 C ATOM 0 H ILE A 72 0.006 -0.618 -7.611 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.139 -0.933 -9.636 1.00 0.00 H new ATOM 0 HB ILE A 72 0.719 -0.010 -9.865 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.533 1.758 -8.842 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.135 2.207 -10.489 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.140 0.554 -12.241 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.016 -1.188 -11.900 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.457 -0.194 -12.000 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.417 2.913 -9.914 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.456 1.688 -11.205 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.860 1.233 -9.533 1.00 0.00 H new ATOM 1102 N THR A 73 -1.334 -3.154 -10.446 1.00 0.00 N ATOM 1103 CA THR A 73 -0.943 -4.484 -10.953 1.00 0.00 C ATOM 1104 C THR A 73 -0.451 -4.406 -12.406 1.00 0.00 C ATOM 1105 O THR A 73 -0.973 -3.621 -13.205 1.00 0.00 O ATOM 1106 CB THR A 73 -2.093 -5.495 -10.788 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.654 -6.796 -11.118 1.00 0.00 O ATOM 1108 CG2 THR A 73 -3.311 -5.205 -11.672 1.00 0.00 C ATOM 0 H THR A 73 -2.250 -2.855 -10.781 1.00 0.00 H new ATOM 0 HA THR A 73 -0.106 -4.842 -10.353 1.00 0.00 H new ATOM 0 HB THR A 73 -2.392 -5.409 -9.743 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.394 -7.429 -11.007 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.076 -5.961 -11.497 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.711 -4.221 -11.428 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.013 -5.226 -12.720 1.00 0.00 H new ATOM 1116 N ARG A 74 0.560 -5.210 -12.764 1.00 0.00 N ATOM 1117 CA ARG A 74 1.105 -5.314 -14.132 1.00 0.00 C ATOM 1118 C ARG A 74 0.392 -6.415 -14.927 1.00 0.00 C ATOM 1119 O ARG A 74 0.497 -7.598 -14.599 1.00 0.00 O ATOM 1120 CB ARG A 74 2.641 -5.505 -14.065 1.00 0.00 C ATOM 1121 CG ARG A 74 3.398 -4.357 -14.755 1.00 0.00 C ATOM 1122 CD ARG A 74 3.469 -4.528 -16.279 1.00 0.00 C ATOM 1123 NE ARG A 74 4.615 -5.378 -16.668 1.00 0.00 N ATOM 1124 CZ ARG A 74 4.785 -6.027 -17.806 1.00 0.00 C ATOM 1125 NH1 ARG A 74 3.838 -6.157 -18.691 1.00 0.00 N ATOM 1126 NH2 ARG A 74 5.938 -6.569 -18.082 1.00 0.00 N ATOM 0 H ARG A 74 1.034 -5.821 -12.099 1.00 0.00 H new ATOM 0 HA ARG A 74 0.916 -4.388 -14.675 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.953 -5.569 -13.022 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.909 -6.450 -14.537 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.908 -3.412 -14.522 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.409 -4.300 -14.352 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.543 -4.974 -16.641 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.560 -3.551 -16.754 1.00 0.00 H new ATOM 0 HE ARG A 74 5.360 -5.474 -15.978 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.919 -5.749 -18.519 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.015 -6.667 -19.556 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.709 -6.492 -17.419 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.069 -7.070 -18.961 1.00 0.00 H new ATOM 1140 N THR A 75 -0.332 -6.025 -15.978 1.00 0.00 N ATOM 1141 CA THR A 75 -1.023 -6.954 -16.896 1.00 0.00 C ATOM 1142 C THR A 75 -0.042 -7.715 -17.806 1.00 0.00 C ATOM 1143 O THR A 75 1.081 -7.254 -18.040 1.00 0.00 O ATOM 1144 CB THR A 75 -2.113 -6.222 -17.705 1.00 0.00 C ATOM 1145 OG1 THR A 75 -2.952 -7.159 -18.348 1.00 0.00 O ATOM 1146 CG2 THR A 75 -1.565 -5.301 -18.797 1.00 0.00 C ATOM 0 H THR A 75 -0.461 -5.044 -16.225 1.00 0.00 H new ATOM 0 HA THR A 75 -1.516 -7.709 -16.283 1.00 0.00 H new ATOM 0 HB THR A 75 -2.647 -5.614 -16.974 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.642 -6.685 -18.858 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.394 -4.824 -19.320 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.933 -4.537 -18.345 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.978 -5.886 -19.505 1.00 0.00 H new ATOM 1154 N VAL A 76 -0.466 -8.875 -18.322 1.00 0.00 N ATOM 1155 CA VAL A 76 0.342 -9.790 -19.159 1.00 0.00 C ATOM 1156 C VAL A 76 -0.334 -10.092 -20.507 1.00 0.00 C ATOM 1157 O VAL A 76 0.320 -10.019 -21.552 1.00 0.00 O ATOM 1158 CB VAL A 76 0.658 -11.096 -18.392 1.00 0.00 C ATOM 1159 CG1 VAL A 76 1.502 -12.075 -19.220 1.00 0.00 C ATOM 1160 CG2 VAL A 76 1.417 -10.819 -17.087 1.00 0.00 C ATOM 0 H VAL A 76 -1.413 -9.220 -18.167 1.00 0.00 H new ATOM 0 HA VAL A 76 1.281 -9.283 -19.381 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.313 -11.543 -18.178 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.695 -12.974 -18.635 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.962 -12.342 -20.129 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.449 -11.605 -19.485 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.620 -11.761 -16.577 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.358 -10.318 -17.313 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.812 -10.181 -16.443 1.00 0.00 H new ATOM 1170 N GLY A 77 -1.637 -10.404 -20.502 1.00 0.00 N ATOM 1171 CA GLY A 77 -2.439 -10.752 -21.691 1.00 0.00 C ATOM 1172 C GLY A 77 -3.861 -11.223 -21.367 1.00 0.00 C ATOM 1173 O GLY A 77 -4.730 -11.114 -22.259 1.00 0.00 O ATOM 1174 OXT GLY A 77 -4.097 -11.707 -20.237 1.00 0.00 O ATOM 0 H GLY A 77 -2.184 -10.423 -19.641 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.496 -9.882 -22.346 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.925 -11.536 -22.247 1.00 0.00 H new TER 1178 GLY A 77