USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 521 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 8 MET CE :methyl 149:sc= -0.506 (180deg=-1.08) USER MOD Set 1.2: A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -151:sc= 1.24 (180deg=0.165) USER MOD Single : A 11 THR OG1 : rot 5:sc= 1.21 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -126:sc= -0.363! (180deg=-0.627) USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= 1.14 (180deg=0.986) USER MOD Single : A 30 LYS NZ :NH3+ -114:sc= 1.16 (180deg=-0.817) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -146:sc= 2.1 (180deg=1.19) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.029 X(o=-0.029,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 6 11.220 15.350 3.741 1.00 0.00 N ATOM 37 CA ILE A 6 10.562 15.189 2.459 1.00 0.00 C ATOM 38 C ILE A 6 10.841 13.794 1.898 1.00 0.00 C ATOM 39 O ILE A 6 11.996 13.401 1.704 1.00 0.00 O ATOM 40 CB ILE A 6 10.986 16.292 1.456 1.00 0.00 C ATOM 41 CG1 ILE A 6 10.332 16.071 0.090 1.00 0.00 C ATOM 42 CG2 ILE A 6 12.503 16.372 1.324 1.00 0.00 C ATOM 43 CD1 ILE A 6 8.825 16.208 0.105 1.00 0.00 C ATOM 0 HA ILE A 6 9.488 15.295 2.612 1.00 0.00 H new ATOM 0 HB ILE A 6 10.637 17.246 1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.745 16.787 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.594 15.076 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.766 17.155 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 6 12.941 16.602 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.888 15.416 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.434 16.038 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.400 15.474 0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.554 17.211 0.435 1.00 0.00 H new ATOM 55 N GLY A 7 9.774 13.054 1.651 1.00 0.00 N ATOM 56 CA GLY A 7 9.895 11.669 1.253 1.00 0.00 C ATOM 57 C GLY A 7 9.251 10.765 2.278 1.00 0.00 C ATOM 58 O GLY A 7 8.695 11.255 3.260 1.00 0.00 O ATOM 0 H GLY A 7 8.814 13.393 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.423 11.521 0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.947 11.408 1.139 1.00 0.00 H new ATOM 62 N MET A 8 9.305 9.458 2.064 1.00 0.00 N ATOM 63 CA MET A 8 8.713 8.524 3.010 1.00 0.00 C ATOM 64 C MET A 8 9.271 7.116 2.857 1.00 0.00 C ATOM 65 O MET A 8 9.694 6.709 1.772 1.00 0.00 O ATOM 66 CB MET A 8 7.178 8.524 2.892 1.00 0.00 C ATOM 67 CG MET A 8 6.637 8.436 1.469 1.00 0.00 C ATOM 68 SD MET A 8 6.800 6.797 0.736 1.00 0.00 S ATOM 69 CE MET A 8 5.902 7.031 -0.795 1.00 0.00 C ATOM 0 H MET A 8 9.747 9.024 1.254 1.00 0.00 H new ATOM 0 HA MET A 8 8.983 8.866 4.009 1.00 0.00 H new ATOM 0 HB2 MET A 8 6.785 7.684 3.466 1.00 0.00 H new ATOM 0 HB3 MET A 8 6.794 9.433 3.354 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.585 8.721 1.471 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.162 9.158 0.844 1.00 0.00 H new ATOM 0 HE1 MET A 8 6.330 6.394 -1.569 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.855 6.768 -0.646 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.974 8.074 -1.103 1.00 0.00 H new ATOM 79 N LYS A 9 9.312 6.402 3.974 1.00 0.00 N ATOM 80 CA LYS A 9 9.694 4.998 3.991 1.00 0.00 C ATOM 81 C LYS A 9 8.524 4.169 4.503 1.00 0.00 C ATOM 82 O LYS A 9 7.943 4.494 5.541 1.00 0.00 O ATOM 83 CB LYS A 9 10.892 4.777 4.918 1.00 0.00 C ATOM 84 CG LYS A 9 12.067 5.704 4.668 1.00 0.00 C ATOM 85 CD LYS A 9 13.080 5.610 5.797 1.00 0.00 C ATOM 86 CE LYS A 9 13.749 4.246 5.845 1.00 0.00 C ATOM 87 NZ LYS A 9 14.828 4.120 4.834 1.00 0.00 N ATOM 0 H LYS A 9 9.081 6.780 4.893 1.00 0.00 H new ATOM 0 HA LYS A 9 9.964 4.698 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.563 4.900 5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.231 3.746 4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.545 5.446 3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.713 6.731 4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.839 6.382 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.583 5.805 6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.163 4.080 6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.002 3.470 5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.921 3.125 4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.594 4.699 4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.727 4.448 5.243 1.00 0.00 H new ATOM 101 N PHE A 10 8.178 3.105 3.797 1.00 0.00 N ATOM 102 CA PHE A 10 7.073 2.251 4.218 1.00 0.00 C ATOM 103 C PHE A 10 7.332 0.803 3.832 1.00 0.00 C ATOM 104 O PHE A 10 8.120 0.522 2.929 1.00 0.00 O ATOM 105 CB PHE A 10 5.751 2.726 3.600 1.00 0.00 C ATOM 106 CG PHE A 10 5.656 2.534 2.107 1.00 0.00 C ATOM 107 CD1 PHE A 10 6.327 3.380 1.238 1.00 0.00 C ATOM 108 CD2 PHE A 10 4.888 1.508 1.579 1.00 0.00 C ATOM 109 CE1 PHE A 10 6.234 3.205 -0.131 1.00 0.00 C ATOM 110 CE2 PHE A 10 4.790 1.329 0.212 1.00 0.00 C ATOM 111 CZ PHE A 10 5.463 2.179 -0.643 1.00 0.00 C ATOM 0 H PHE A 10 8.640 2.811 2.936 1.00 0.00 H new ATOM 0 HA PHE A 10 6.997 2.317 5.303 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.929 2.191 4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.617 3.784 3.827 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.929 4.185 1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.360 0.840 2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.763 3.869 -0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.188 0.526 -0.187 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.387 2.042 -1.712 1.00 0.00 H new ATOM 121 N THR A 11 6.672 -0.112 4.520 1.00 0.00 N ATOM 122 CA THR A 11 6.767 -1.515 4.180 1.00 0.00 C ATOM 123 C THR A 11 5.394 -2.013 3.743 1.00 0.00 C ATOM 124 O THR A 11 4.371 -1.602 4.294 1.00 0.00 O ATOM 125 CB THR A 11 7.318 -2.360 5.360 1.00 0.00 C ATOM 126 OG1 THR A 11 7.958 -3.541 4.863 1.00 0.00 O ATOM 127 CG2 THR A 11 6.223 -2.772 6.328 1.00 0.00 C ATOM 0 H THR A 11 6.067 0.093 5.315 1.00 0.00 H new ATOM 0 HA THR A 11 7.475 -1.629 3.359 1.00 0.00 H new ATOM 0 HB THR A 11 8.033 -1.733 5.893 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.976 -3.516 3.883 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.655 -3.361 7.137 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.749 -1.882 6.741 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.478 -3.369 5.802 1.00 0.00 H new ATOM 135 N VAL A 12 5.371 -2.851 2.724 1.00 0.00 N ATOM 136 CA VAL A 12 4.125 -3.366 2.196 1.00 0.00 C ATOM 137 C VAL A 12 4.172 -4.886 2.086 1.00 0.00 C ATOM 138 O VAL A 12 5.129 -5.457 1.555 1.00 0.00 O ATOM 139 CB VAL A 12 3.796 -2.735 0.819 1.00 0.00 C ATOM 140 CG1 VAL A 12 4.939 -2.937 -0.167 1.00 0.00 C ATOM 141 CG2 VAL A 12 2.499 -3.297 0.254 1.00 0.00 C ATOM 0 H VAL A 12 6.205 -3.190 2.245 1.00 0.00 H new ATOM 0 HA VAL A 12 3.332 -3.093 2.892 1.00 0.00 H new ATOM 0 HB VAL A 12 3.665 -1.664 0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.679 -2.484 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.843 -2.469 0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.115 -4.004 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.293 -2.836 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.594 -4.376 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.680 -3.082 0.940 1.00 0.00 H new ATOM 151 N ILE A 13 3.161 -5.543 2.627 1.00 0.00 N ATOM 152 CA ILE A 13 3.015 -6.975 2.446 1.00 0.00 C ATOM 153 C ILE A 13 2.131 -7.209 1.225 1.00 0.00 C ATOM 154 O ILE A 13 1.005 -6.724 1.154 1.00 0.00 O ATOM 155 CB ILE A 13 2.457 -7.657 3.734 1.00 0.00 C ATOM 156 CG1 ILE A 13 2.502 -9.193 3.653 1.00 0.00 C ATOM 157 CG2 ILE A 13 1.050 -7.187 4.043 1.00 0.00 C ATOM 158 CD1 ILE A 13 1.416 -9.827 2.803 1.00 0.00 C ATOM 0 H ILE A 13 2.432 -5.109 3.193 1.00 0.00 H new ATOM 0 HA ILE A 13 3.987 -7.436 2.272 1.00 0.00 H new ATOM 0 HB ILE A 13 3.113 -7.353 4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.472 -9.492 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.433 -9.596 4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.691 -7.681 4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.052 -6.108 4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.393 -7.433 3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.535 -10.911 2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.438 -9.566 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.494 -9.460 1.780 1.00 0.00 H new ATOM 170 N THR A 14 2.674 -7.892 0.234 1.00 0.00 N ATOM 171 CA THR A 14 1.987 -8.073 -1.029 1.00 0.00 C ATOM 172 C THR A 14 1.963 -9.553 -1.426 1.00 0.00 C ATOM 173 O THR A 14 2.124 -10.430 -0.576 1.00 0.00 O ATOM 174 CB THR A 14 2.671 -7.240 -2.131 1.00 0.00 C ATOM 175 OG1 THR A 14 3.412 -6.170 -1.529 1.00 0.00 O ATOM 176 CG2 THR A 14 1.641 -6.654 -3.091 1.00 0.00 C ATOM 0 H THR A 14 3.593 -8.332 0.281 1.00 0.00 H new ATOM 0 HA THR A 14 0.959 -7.731 -0.912 1.00 0.00 H new ATOM 0 HB THR A 14 3.339 -7.894 -2.691 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.849 -5.641 -2.228 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.150 -6.071 -3.859 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.080 -7.462 -3.561 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.956 -6.010 -2.540 1.00 0.00 H new ATOM 184 N ASP A 15 1.792 -9.815 -2.719 1.00 0.00 N ATOM 185 CA ASP A 15 1.573 -11.168 -3.234 1.00 0.00 C ATOM 186 C ASP A 15 2.719 -12.108 -2.870 1.00 0.00 C ATOM 187 O ASP A 15 2.492 -13.237 -2.431 1.00 0.00 O ATOM 188 CB ASP A 15 1.400 -11.114 -4.757 1.00 0.00 C ATOM 189 CG ASP A 15 1.051 -12.459 -5.369 1.00 0.00 C ATOM 190 OD1 ASP A 15 1.978 -13.242 -5.664 1.00 0.00 O ATOM 191 OD2 ASP A 15 -0.150 -12.725 -5.582 1.00 0.00 O ATOM 0 H ASP A 15 1.801 -9.096 -3.442 1.00 0.00 H new ATOM 0 HA ASP A 15 0.668 -11.562 -2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.616 -10.397 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.321 -10.745 -5.208 1.00 0.00 H new ATOM 196 N ASP A 16 3.946 -11.633 -3.034 1.00 0.00 N ATOM 197 CA ASP A 16 5.126 -12.473 -2.828 1.00 0.00 C ATOM 198 C ASP A 16 5.645 -12.400 -1.394 1.00 0.00 C ATOM 199 O ASP A 16 6.493 -13.202 -0.997 1.00 0.00 O ATOM 200 CB ASP A 16 6.241 -12.071 -3.797 1.00 0.00 C ATOM 201 CG ASP A 16 6.608 -10.604 -3.694 1.00 0.00 C ATOM 202 OD1 ASP A 16 7.323 -10.223 -2.747 1.00 0.00 O ATOM 203 OD2 ASP A 16 6.181 -9.825 -4.572 1.00 0.00 O ATOM 0 H ASP A 16 4.154 -10.673 -3.309 1.00 0.00 H new ATOM 0 HA ASP A 16 4.822 -13.502 -3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.125 -12.677 -3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.927 -12.291 -4.817 1.00 0.00 H new ATOM 208 N GLY A 17 5.133 -11.464 -0.613 1.00 0.00 N ATOM 209 CA GLY A 17 5.634 -11.291 0.735 1.00 0.00 C ATOM 210 C GLY A 17 5.739 -9.836 1.124 1.00 0.00 C ATOM 211 O GLY A 17 5.156 -8.973 0.469 1.00 0.00 O ATOM 0 H GLY A 17 4.386 -10.825 -0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.975 -11.805 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.615 -11.759 0.819 1.00 0.00 H new ATOM 215 N LYS A 18 6.497 -9.553 2.174 1.00 0.00 N ATOM 216 CA LYS A 18 6.574 -8.202 2.707 1.00 0.00 C ATOM 217 C LYS A 18 7.887 -7.537 2.311 1.00 0.00 C ATOM 218 O LYS A 18 8.970 -8.029 2.633 1.00 0.00 O ATOM 219 CB LYS A 18 6.421 -8.237 4.228 1.00 0.00 C ATOM 220 CG LYS A 18 5.948 -6.924 4.819 1.00 0.00 C ATOM 221 CD LYS A 18 5.383 -7.127 6.212 1.00 0.00 C ATOM 222 CE LYS A 18 4.457 -5.989 6.599 1.00 0.00 C ATOM 223 NZ LYS A 18 3.638 -6.321 7.794 1.00 0.00 N ATOM 0 H LYS A 18 7.065 -10.239 2.672 1.00 0.00 H new ATOM 0 HA LYS A 18 5.762 -7.611 2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.714 -9.022 4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.379 -8.504 4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.778 -6.219 4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.187 -6.484 4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.840 -8.071 6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.199 -7.197 6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.046 -5.094 6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.799 -5.756 5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.631 -6.180 7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.799 -7.313 8.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.910 -5.702 8.584 1.00 0.00 H new ATOM 237 N LYS A 19 7.781 -6.420 1.610 1.00 0.00 N ATOM 238 CA LYS A 19 8.946 -5.681 1.152 1.00 0.00 C ATOM 239 C LYS A 19 8.919 -4.258 1.693 1.00 0.00 C ATOM 240 O LYS A 19 7.880 -3.778 2.145 1.00 0.00 O ATOM 241 CB LYS A 19 8.995 -5.669 -0.378 1.00 0.00 C ATOM 242 CG LYS A 19 9.447 -6.989 -0.979 1.00 0.00 C ATOM 243 CD LYS A 19 9.345 -6.983 -2.495 1.00 0.00 C ATOM 244 CE LYS A 19 10.135 -8.125 -3.117 1.00 0.00 C ATOM 245 NZ LYS A 19 9.775 -9.445 -2.535 1.00 0.00 N ATOM 0 H LYS A 19 6.890 -6.002 1.343 1.00 0.00 H new ATOM 0 HA LYS A 19 9.842 -6.175 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.006 -5.423 -0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.671 -4.879 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.477 -7.188 -0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.838 -7.799 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.299 -7.062 -2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.714 -6.033 -2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.956 -8.144 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.201 -7.946 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.137 -10.204 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.196 -9.533 -1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.740 -9.522 -2.463 1.00 0.00 H new ATOM 259 N ILE A 20 10.060 -3.589 1.657 1.00 0.00 N ATOM 260 CA ILE A 20 10.165 -2.228 2.165 1.00 0.00 C ATOM 261 C ILE A 20 10.568 -1.284 1.032 1.00 0.00 C ATOM 262 O ILE A 20 11.510 -1.551 0.281 1.00 0.00 O ATOM 263 CB ILE A 20 11.159 -2.155 3.364 1.00 0.00 C ATOM 264 CG1 ILE A 20 11.146 -0.769 4.044 1.00 0.00 C ATOM 265 CG2 ILE A 20 12.571 -2.537 2.930 1.00 0.00 C ATOM 266 CD1 ILE A 20 11.996 0.288 3.364 1.00 0.00 C ATOM 0 H ILE A 20 10.930 -3.966 1.280 1.00 0.00 H new ATOM 0 HA ILE A 20 9.192 -1.911 2.541 1.00 0.00 H new ATOM 0 HB ILE A 20 10.821 -2.880 4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.117 -0.413 4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.489 -0.883 5.073 1.00 0.00 H new ATOM 0 HG21 ILE A 20 13.243 -2.477 3.786 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.569 -3.555 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 20 12.911 -1.852 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 20 11.921 1.225 3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 20 13.036 -0.039 3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 20 11.643 0.438 2.344 1.00 0.00 H new ATOM 278 N LEU A 21 9.835 -0.190 0.897 1.00 0.00 N ATOM 279 CA LEU A 21 10.069 0.760 -0.179 1.00 0.00 C ATOM 280 C LEU A 21 10.328 2.153 0.379 1.00 0.00 C ATOM 281 O LEU A 21 9.850 2.502 1.461 1.00 0.00 O ATOM 282 CB LEU A 21 8.871 0.797 -1.134 1.00 0.00 C ATOM 283 CG LEU A 21 8.574 -0.515 -1.865 1.00 0.00 C ATOM 284 CD1 LEU A 21 7.327 -0.376 -2.724 1.00 0.00 C ATOM 285 CD2 LEU A 21 9.763 -0.929 -2.720 1.00 0.00 C ATOM 0 H LEU A 21 9.070 0.063 1.522 1.00 0.00 H new ATOM 0 HA LEU A 21 10.951 0.434 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.986 1.087 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.044 1.576 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 21 8.396 -1.291 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.131 -1.318 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.476 -0.123 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.479 0.413 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.535 -1.864 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.970 -0.152 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.637 -1.068 -2.084 1.00 0.00 H new ATOM 297 N GLU A 22 11.091 2.937 -0.364 1.00 0.00 N ATOM 298 CA GLU A 22 11.413 4.299 0.026 1.00 0.00 C ATOM 299 C GLU A 22 11.308 5.215 -1.188 1.00 0.00 C ATOM 300 O GLU A 22 11.865 4.915 -2.245 1.00 0.00 O ATOM 301 CB GLU A 22 12.825 4.356 0.613 1.00 0.00 C ATOM 302 CG GLU A 22 13.260 5.747 1.041 1.00 0.00 C ATOM 303 CD GLU A 22 14.695 5.775 1.512 1.00 0.00 C ATOM 304 OE1 GLU A 22 15.602 5.880 0.662 1.00 0.00 O ATOM 305 OE2 GLU A 22 14.927 5.678 2.732 1.00 0.00 O ATOM 0 H GLU A 22 11.503 2.649 -1.251 1.00 0.00 H new ATOM 0 HA GLU A 22 10.707 4.633 0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.877 3.689 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.530 3.977 -0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.140 6.437 0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.609 6.099 1.841 1.00 0.00 H new ATOM 312 N SER A 23 10.580 6.310 -1.046 1.00 0.00 N ATOM 313 CA SER A 23 10.405 7.251 -2.138 1.00 0.00 C ATOM 314 C SER A 23 10.697 8.674 -1.674 1.00 0.00 C ATOM 315 O SER A 23 10.562 8.990 -0.489 1.00 0.00 O ATOM 316 CB SER A 23 8.986 7.147 -2.690 1.00 0.00 C ATOM 317 OG SER A 23 8.700 5.818 -3.094 1.00 0.00 O ATOM 0 H SER A 23 10.100 6.569 -0.184 1.00 0.00 H new ATOM 0 HA SER A 23 11.110 7.003 -2.931 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.271 7.463 -1.930 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.870 7.823 -3.537 1.00 0.00 H new ATOM 0 HG SER A 23 7.785 5.772 -3.443 1.00 0.00 H new ATOM 323 N GLY A 24 11.087 9.526 -2.611 1.00 0.00 N ATOM 324 CA GLY A 24 11.467 10.883 -2.272 1.00 0.00 C ATOM 325 C GLY A 24 10.286 11.831 -2.240 1.00 0.00 C ATOM 326 O GLY A 24 10.402 12.965 -1.775 1.00 0.00 O ATOM 0 H GLY A 24 11.147 9.301 -3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.956 10.886 -1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.197 11.243 -2.997 1.00 0.00 H new ATOM 330 N ALA A 25 9.146 11.372 -2.729 1.00 0.00 N ATOM 331 CA ALA A 25 7.944 12.186 -2.745 1.00 0.00 C ATOM 332 C ALA A 25 6.807 11.470 -2.026 1.00 0.00 C ATOM 333 O ALA A 25 6.664 10.253 -2.140 1.00 0.00 O ATOM 334 CB ALA A 25 7.548 12.513 -4.177 1.00 0.00 C ATOM 0 H ALA A 25 9.029 10.438 -3.121 1.00 0.00 H new ATOM 0 HA ALA A 25 8.148 13.119 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.645 13.124 -4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.356 13.061 -4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.359 11.588 -4.722 1.00 0.00 H new ATOM 340 N PRO A 26 6.005 12.211 -1.249 1.00 0.00 N ATOM 341 CA PRO A 26 4.831 11.659 -0.572 1.00 0.00 C ATOM 342 C PRO A 26 3.740 11.297 -1.573 1.00 0.00 C ATOM 343 O PRO A 26 3.097 12.176 -2.153 1.00 0.00 O ATOM 344 CB PRO A 26 4.365 12.796 0.351 1.00 0.00 C ATOM 345 CG PRO A 26 5.479 13.791 0.357 1.00 0.00 C ATOM 346 CD PRO A 26 6.174 13.640 -0.962 1.00 0.00 C ATOM 0 HA PRO A 26 5.057 10.741 -0.030 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.441 13.244 -0.015 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.164 12.427 1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.097 14.804 0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.165 13.604 1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.722 14.265 -1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.226 13.920 -0.901 1.00 0.00 H new ATOM 354 N ARG A 27 3.547 10.006 -1.791 1.00 0.00 N ATOM 355 CA ARG A 27 2.590 9.542 -2.785 1.00 0.00 C ATOM 356 C ARG A 27 1.390 8.893 -2.111 1.00 0.00 C ATOM 357 O ARG A 27 1.399 8.645 -0.905 1.00 0.00 O ATOM 358 CB ARG A 27 3.244 8.545 -3.747 1.00 0.00 C ATOM 359 CG ARG A 27 4.522 9.060 -4.394 1.00 0.00 C ATOM 360 CD ARG A 27 4.309 10.391 -5.100 1.00 0.00 C ATOM 361 NE ARG A 27 3.324 10.295 -6.172 1.00 0.00 N ATOM 362 CZ ARG A 27 2.678 11.342 -6.690 1.00 0.00 C ATOM 363 NH1 ARG A 27 2.902 12.564 -6.227 1.00 0.00 N ATOM 364 NH2 ARG A 27 1.806 11.164 -7.672 1.00 0.00 N ATOM 0 H ARG A 27 4.038 9.262 -1.295 1.00 0.00 H new ATOM 0 HA ARG A 27 2.252 10.408 -3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.467 7.626 -3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.530 8.288 -4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.293 9.173 -3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.887 8.324 -5.111 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.983 11.137 -4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.257 10.739 -5.510 1.00 0.00 H new ATOM 0 HE ARG A 27 3.116 9.370 -6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.571 12.708 -5.471 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.405 13.360 -6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.628 10.227 -8.032 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.313 11.964 -8.067 1.00 0.00 H new ATOM 378 N ARG A 28 0.363 8.627 -2.898 1.00 0.00 N ATOM 379 CA ARG A 28 -0.840 7.971 -2.414 1.00 0.00 C ATOM 380 C ARG A 28 -0.837 6.511 -2.868 1.00 0.00 C ATOM 381 O ARG A 28 -0.104 6.161 -3.796 1.00 0.00 O ATOM 382 CB ARG A 28 -2.066 8.711 -2.959 1.00 0.00 C ATOM 383 CG ARG A 28 -3.376 8.321 -2.309 1.00 0.00 C ATOM 384 CD ARG A 28 -4.513 9.199 -2.795 1.00 0.00 C ATOM 385 NE ARG A 28 -4.231 10.619 -2.605 1.00 0.00 N ATOM 386 CZ ARG A 28 -5.001 11.450 -1.906 1.00 0.00 C ATOM 387 NH1 ARG A 28 -6.064 10.990 -1.254 1.00 0.00 N ATOM 388 NH2 ARG A 28 -4.686 12.734 -1.840 1.00 0.00 N ATOM 0 H ARG A 28 0.339 8.859 -3.891 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.873 7.994 -1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.915 9.783 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.138 8.528 -4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.599 7.277 -2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.286 8.404 -1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.694 9.004 -3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.426 8.937 -2.261 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.389 10.999 -3.036 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.293 9.997 -1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.651 11.630 -0.720 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.858 13.081 -2.323 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.272 13.376 -1.306 1.00 0.00 H new ATOM 402 N ILE A 29 -1.632 5.658 -2.216 1.00 0.00 N ATOM 403 CA ILE A 29 -1.708 4.246 -2.595 1.00 0.00 C ATOM 404 C ILE A 29 -2.034 4.107 -4.082 1.00 0.00 C ATOM 405 O ILE A 29 -1.353 3.388 -4.809 1.00 0.00 O ATOM 406 CB ILE A 29 -2.771 3.472 -1.772 1.00 0.00 C ATOM 407 CG1 ILE A 29 -2.409 3.432 -0.282 1.00 0.00 C ATOM 408 CG2 ILE A 29 -2.941 2.054 -2.307 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.069 2.795 0.010 1.00 0.00 C ATOM 0 H ILE A 29 -2.227 5.918 -1.430 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.730 3.813 -2.383 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.716 4.005 -1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.408 4.450 0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.184 2.885 0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.691 1.529 -1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.263 2.094 -3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.991 1.524 -2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.888 2.806 1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.070 1.765 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.282 3.354 -0.496 1.00 0.00 H new ATOM 421 N LYS A 30 -3.058 4.831 -4.525 1.00 0.00 N ATOM 422 CA LYS A 30 -3.532 4.766 -5.904 1.00 0.00 C ATOM 423 C LYS A 30 -2.443 5.176 -6.896 1.00 0.00 C ATOM 424 O LYS A 30 -2.471 4.771 -8.057 1.00 0.00 O ATOM 425 CB LYS A 30 -4.751 5.674 -6.074 1.00 0.00 C ATOM 426 CG LYS A 30 -5.559 5.392 -7.329 1.00 0.00 C ATOM 427 CD LYS A 30 -6.693 6.391 -7.496 1.00 0.00 C ATOM 428 CE LYS A 30 -7.737 5.889 -8.480 1.00 0.00 C ATOM 429 NZ LYS A 30 -8.569 4.804 -7.896 1.00 0.00 N ATOM 0 H LYS A 30 -3.583 5.479 -3.938 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.806 3.732 -6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.399 5.563 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.419 6.712 -6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.906 5.432 -8.201 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.966 4.382 -7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.162 6.576 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.292 7.343 -7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.379 6.716 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.242 5.524 -9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.388 3.915 -8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.327 4.683 -6.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.575 5.054 -7.982 1.00 0.00 H new ATOM 443 N ASP A 31 -1.487 5.974 -6.436 1.00 0.00 N ATOM 444 CA ASP A 31 -0.398 6.429 -7.296 1.00 0.00 C ATOM 445 C ASP A 31 0.539 5.274 -7.614 1.00 0.00 C ATOM 446 O ASP A 31 0.825 4.993 -8.777 1.00 0.00 O ATOM 447 CB ASP A 31 0.390 7.562 -6.633 1.00 0.00 C ATOM 448 CG ASP A 31 1.521 8.064 -7.506 1.00 0.00 C ATOM 449 OD1 ASP A 31 1.239 8.727 -8.524 1.00 0.00 O ATOM 450 OD2 ASP A 31 2.697 7.817 -7.172 1.00 0.00 O ATOM 0 H ASP A 31 -1.442 6.319 -5.477 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.836 6.805 -8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.285 8.387 -6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.795 7.212 -5.683 1.00 0.00 H new ATOM 455 N VAL A 32 0.996 4.599 -6.569 1.00 0.00 N ATOM 456 CA VAL A 32 1.899 3.464 -6.721 1.00 0.00 C ATOM 457 C VAL A 32 1.152 2.264 -7.298 1.00 0.00 C ATOM 458 O VAL A 32 1.660 1.559 -8.173 1.00 0.00 O ATOM 459 CB VAL A 32 2.540 3.076 -5.370 1.00 0.00 C ATOM 460 CG1 VAL A 32 3.527 1.929 -5.542 1.00 0.00 C ATOM 461 CG2 VAL A 32 3.220 4.285 -4.739 1.00 0.00 C ATOM 0 H VAL A 32 0.756 4.818 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 32 2.692 3.760 -7.408 1.00 0.00 H new ATOM 0 HB VAL A 32 1.748 2.737 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.963 1.676 -4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.008 1.059 -5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.318 2.229 -6.230 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.667 3.996 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.997 4.655 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.483 5.070 -4.570 1.00 0.00 H new ATOM 471 N LEU A 33 -0.064 2.056 -6.818 1.00 0.00 N ATOM 472 CA LEU A 33 -0.901 0.961 -7.284 1.00 0.00 C ATOM 473 C LEU A 33 -1.231 1.142 -8.762 1.00 0.00 C ATOM 474 O LEU A 33 -1.207 0.187 -9.536 1.00 0.00 O ATOM 475 CB LEU A 33 -2.193 0.906 -6.469 1.00 0.00 C ATOM 476 CG LEU A 33 -3.054 -0.336 -6.689 1.00 0.00 C ATOM 477 CD1 LEU A 33 -2.392 -1.557 -6.072 1.00 0.00 C ATOM 478 CD2 LEU A 33 -4.442 -0.129 -6.109 1.00 0.00 C ATOM 0 H LEU A 33 -0.496 2.637 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.356 0.026 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.938 0.968 -5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.789 1.787 -6.705 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.152 -0.504 -7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.019 -2.433 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.418 -1.715 -6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.264 -1.400 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.043 -1.023 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.364 0.063 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.917 0.722 -6.597 1.00 0.00 H new ATOM 490 N GLY A 34 -1.526 2.380 -9.141 1.00 0.00 N ATOM 491 CA GLY A 34 -1.824 2.695 -10.523 1.00 0.00 C ATOM 492 C GLY A 34 -0.594 2.604 -11.406 1.00 0.00 C ATOM 493 O GLY A 34 -0.691 2.253 -12.582 1.00 0.00 O ATOM 0 H GLY A 34 -1.564 3.178 -8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.588 2.011 -10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.240 3.701 -10.584 1.00 0.00 H new ATOM 497 N GLU A 35 0.561 2.920 -10.828 1.00 0.00 N ATOM 498 CA GLU A 35 1.836 2.894 -11.543 1.00 0.00 C ATOM 499 C GLU A 35 2.136 1.478 -12.029 1.00 0.00 C ATOM 500 O GLU A 35 2.568 1.274 -13.163 1.00 0.00 O ATOM 501 CB GLU A 35 2.952 3.395 -10.614 1.00 0.00 C ATOM 502 CG GLU A 35 4.081 4.136 -11.317 1.00 0.00 C ATOM 503 CD GLU A 35 5.044 3.227 -12.051 1.00 0.00 C ATOM 504 OE1 GLU A 35 5.956 2.672 -11.403 1.00 0.00 O ATOM 505 OE2 GLU A 35 4.918 3.088 -13.284 1.00 0.00 O ATOM 0 H GLU A 35 0.641 3.201 -9.851 1.00 0.00 H new ATOM 0 HA GLU A 35 1.779 3.548 -12.413 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.514 4.055 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.372 2.542 -10.081 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.652 4.844 -12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.635 4.718 -10.581 1.00 0.00 H new ATOM 512 N LEU A 36 1.880 0.499 -11.170 1.00 0.00 N ATOM 513 CA LEU A 36 2.105 -0.901 -11.520 1.00 0.00 C ATOM 514 C LEU A 36 0.846 -1.517 -12.127 1.00 0.00 C ATOM 515 O LEU A 36 0.888 -2.611 -12.690 1.00 0.00 O ATOM 516 CB LEU A 36 2.533 -1.698 -10.286 1.00 0.00 C ATOM 517 CG LEU A 36 3.797 -1.190 -9.585 1.00 0.00 C ATOM 518 CD1 LEU A 36 4.105 -2.033 -8.354 1.00 0.00 C ATOM 519 CD2 LEU A 36 4.979 -1.199 -10.544 1.00 0.00 C ATOM 0 H LEU A 36 1.517 0.646 -10.228 1.00 0.00 H new ATOM 0 HA LEU A 36 2.903 -0.940 -12.261 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.713 -1.694 -9.568 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.693 -2.735 -10.581 1.00 0.00 H new ATOM 0 HG LEU A 36 3.620 -0.164 -9.263 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.006 -1.656 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.269 -1.978 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.260 -3.070 -8.653 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.868 -0.835 -10.029 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.154 -2.216 -10.896 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.762 -0.553 -11.395 1.00 0.00 H new ATOM 531 N GLU A 37 -0.264 -0.794 -11.995 1.00 0.00 N ATOM 532 CA GLU A 37 -1.565 -1.216 -12.506 1.00 0.00 C ATOM 533 C GLU A 37 -2.002 -2.540 -11.876 1.00 0.00 C ATOM 534 O GLU A 37 -1.892 -3.613 -12.479 1.00 0.00 O ATOM 535 CB GLU A 37 -1.557 -1.303 -14.037 1.00 0.00 C ATOM 536 CG GLU A 37 -2.933 -1.535 -14.639 1.00 0.00 C ATOM 537 CD GLU A 37 -2.939 -1.442 -16.149 1.00 0.00 C ATOM 538 OE1 GLU A 37 -2.441 -2.373 -16.812 1.00 0.00 O ATOM 539 OE2 GLU A 37 -3.453 -0.436 -16.684 1.00 0.00 O ATOM 0 H GLU A 37 -0.285 0.111 -11.525 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.296 -0.458 -12.223 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.143 -0.380 -14.443 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.894 -2.112 -14.343 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.294 -2.519 -14.339 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.630 -0.802 -14.232 1.00 0.00 H new ATOM 546 N ILE A 38 -2.476 -2.449 -10.642 1.00 0.00 N ATOM 547 CA ILE A 38 -2.935 -3.612 -9.896 1.00 0.00 C ATOM 548 C ILE A 38 -4.379 -3.405 -9.442 1.00 0.00 C ATOM 549 O ILE A 38 -4.706 -2.370 -8.861 1.00 0.00 O ATOM 550 CB ILE A 38 -2.038 -3.870 -8.662 1.00 0.00 C ATOM 551 CG1 ILE A 38 -0.575 -4.030 -9.091 1.00 0.00 C ATOM 552 CG2 ILE A 38 -2.508 -5.102 -7.897 1.00 0.00 C ATOM 553 CD1 ILE A 38 0.388 -4.148 -7.928 1.00 0.00 C ATOM 0 H ILE A 38 -2.553 -1.570 -10.131 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.878 -4.479 -10.554 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.115 -3.009 -7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.484 -4.916 -9.719 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.289 -3.175 -9.703 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.862 -5.263 -7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.533 -4.951 -7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.465 -5.974 -8.550 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.404 -4.258 -8.307 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.326 -3.251 -7.312 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.128 -5.020 -7.327 1.00 0.00 H new ATOM 565 N PRO A 39 -5.267 -4.377 -9.716 1.00 0.00 N ATOM 566 CA PRO A 39 -6.679 -4.288 -9.328 1.00 0.00 C ATOM 567 C PRO A 39 -6.884 -4.326 -7.812 1.00 0.00 C ATOM 568 O PRO A 39 -6.612 -5.333 -7.156 1.00 0.00 O ATOM 569 CB PRO A 39 -7.313 -5.519 -9.983 1.00 0.00 C ATOM 570 CG PRO A 39 -6.185 -6.471 -10.187 1.00 0.00 C ATOM 571 CD PRO A 39 -4.967 -5.629 -10.435 1.00 0.00 C ATOM 0 HA PRO A 39 -7.120 -3.343 -9.645 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.084 -5.952 -9.346 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.788 -5.262 -10.929 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.048 -7.106 -9.312 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.381 -7.131 -11.032 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.064 -6.106 -10.053 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.809 -5.454 -11.499 1.00 0.00 H new ATOM 579 N ILE A 40 -7.382 -3.221 -7.272 1.00 0.00 N ATOM 580 CA ILE A 40 -7.617 -3.085 -5.836 1.00 0.00 C ATOM 581 C ILE A 40 -8.926 -3.776 -5.430 1.00 0.00 C ATOM 582 O ILE A 40 -9.250 -3.893 -4.249 1.00 0.00 O ATOM 583 CB ILE A 40 -7.675 -1.585 -5.438 1.00 0.00 C ATOM 584 CG1 ILE A 40 -7.605 -1.412 -3.920 1.00 0.00 C ATOM 585 CG2 ILE A 40 -8.935 -0.926 -5.984 1.00 0.00 C ATOM 586 CD1 ILE A 40 -6.316 -1.920 -3.320 1.00 0.00 C ATOM 0 H ILE A 40 -7.635 -2.394 -7.814 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.790 -3.564 -5.312 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.807 -1.095 -5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.720 -0.356 -3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.443 -1.938 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.952 0.124 -5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -8.942 -1.000 -7.071 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.813 -1.430 -5.580 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.332 -1.767 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.209 -2.983 -3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.475 -1.377 -3.751 1.00 0.00 H new ATOM 598 N GLU A 41 -9.658 -4.248 -6.425 1.00 0.00 N ATOM 599 CA GLU A 41 -11.008 -4.761 -6.222 1.00 0.00 C ATOM 600 C GLU A 41 -11.032 -6.051 -5.397 1.00 0.00 C ATOM 601 O GLU A 41 -11.860 -6.206 -4.499 1.00 0.00 O ATOM 602 CB GLU A 41 -11.657 -5.029 -7.576 1.00 0.00 C ATOM 603 CG GLU A 41 -13.139 -4.699 -7.628 1.00 0.00 C ATOM 604 CD GLU A 41 -13.390 -3.209 -7.561 1.00 0.00 C ATOM 605 OE1 GLU A 41 -13.080 -2.511 -8.548 1.00 0.00 O ATOM 606 OE2 GLU A 41 -13.899 -2.726 -6.529 1.00 0.00 O ATOM 0 H GLU A 41 -9.338 -4.288 -7.393 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.559 -4.003 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.139 -4.446 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.520 -6.080 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.567 -5.098 -8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.649 -5.190 -6.799 1.00 0.00 H new ATOM 613 N THR A 42 -10.122 -6.968 -5.691 1.00 0.00 N ATOM 614 CA THR A 42 -10.247 -8.332 -5.196 1.00 0.00 C ATOM 615 C THR A 42 -9.526 -8.578 -3.862 1.00 0.00 C ATOM 616 O THR A 42 -9.860 -9.529 -3.154 1.00 0.00 O ATOM 617 CB THR A 42 -9.764 -9.349 -6.253 1.00 0.00 C ATOM 618 OG1 THR A 42 -9.949 -10.686 -5.774 1.00 0.00 O ATOM 619 CG2 THR A 42 -8.299 -9.126 -6.603 1.00 0.00 C ATOM 0 H THR A 42 -9.296 -6.796 -6.264 1.00 0.00 H new ATOM 0 HA THR A 42 -11.310 -8.476 -5.005 1.00 0.00 H new ATOM 0 HB THR A 42 -10.358 -9.202 -7.155 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.641 -11.322 -6.453 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.988 -9.857 -7.349 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.170 -8.121 -7.004 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.689 -9.241 -5.707 1.00 0.00 H new ATOM 627 N VAL A 43 -8.558 -7.742 -3.500 1.00 0.00 N ATOM 628 CA VAL A 43 -7.815 -7.970 -2.260 1.00 0.00 C ATOM 629 C VAL A 43 -8.003 -6.818 -1.279 1.00 0.00 C ATOM 630 O VAL A 43 -8.441 -5.733 -1.659 1.00 0.00 O ATOM 631 CB VAL A 43 -6.309 -8.214 -2.505 1.00 0.00 C ATOM 632 CG1 VAL A 43 -6.103 -9.450 -3.364 1.00 0.00 C ATOM 633 CG2 VAL A 43 -5.646 -7.009 -3.145 1.00 0.00 C ATOM 0 H VAL A 43 -8.272 -6.919 -4.031 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.229 -8.878 -1.823 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.839 -8.376 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.037 -9.607 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.525 -10.319 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.600 -9.313 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.588 -7.217 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.121 -6.799 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.752 -6.144 -2.490 1.00 0.00 H new ATOM 643 N VAL A 44 -7.667 -7.061 -0.017 1.00 0.00 N ATOM 644 CA VAL A 44 -7.934 -6.098 1.050 1.00 0.00 C ATOM 645 C VAL A 44 -6.659 -5.360 1.447 1.00 0.00 C ATOM 646 O VAL A 44 -5.590 -5.958 1.527 1.00 0.00 O ATOM 647 CB VAL A 44 -8.527 -6.801 2.295 1.00 0.00 C ATOM 648 CG1 VAL A 44 -8.909 -5.790 3.371 1.00 0.00 C ATOM 649 CG2 VAL A 44 -9.728 -7.654 1.907 1.00 0.00 C ATOM 0 H VAL A 44 -7.209 -7.917 0.294 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.659 -5.380 0.668 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.759 -7.454 2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.322 -6.314 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.024 -5.232 3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.654 -5.100 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.131 -8.140 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.495 -7.021 1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.419 -8.412 1.187 1.00 0.00 H new ATOM 659 N VAL A 45 -6.770 -4.061 1.690 1.00 0.00 N ATOM 660 CA VAL A 45 -5.625 -3.262 2.099 1.00 0.00 C ATOM 661 C VAL A 45 -5.876 -2.623 3.462 1.00 0.00 C ATOM 662 O VAL A 45 -6.971 -2.135 3.740 1.00 0.00 O ATOM 663 CB VAL A 45 -5.302 -2.167 1.059 1.00 0.00 C ATOM 664 CG1 VAL A 45 -4.122 -1.314 1.502 1.00 0.00 C ATOM 665 CG2 VAL A 45 -5.017 -2.792 -0.292 1.00 0.00 C ATOM 0 H VAL A 45 -7.642 -3.539 1.611 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.767 -3.931 2.170 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.174 -1.518 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.920 -0.553 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.357 -0.832 2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.242 -1.946 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.791 -2.008 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.164 -3.466 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.891 -3.352 -0.625 1.00 0.00 H new ATOM 675 N LYS A 46 -4.868 -2.664 4.316 1.00 0.00 N ATOM 676 CA LYS A 46 -4.947 -2.069 5.639 1.00 0.00 C ATOM 677 C LYS A 46 -3.760 -1.148 5.882 1.00 0.00 C ATOM 678 O LYS A 46 -2.678 -1.367 5.343 1.00 0.00 O ATOM 679 CB LYS A 46 -4.951 -3.151 6.724 1.00 0.00 C ATOM 680 CG LYS A 46 -6.166 -4.062 6.716 1.00 0.00 C ATOM 681 CD LYS A 46 -6.026 -5.139 7.780 1.00 0.00 C ATOM 682 CE LYS A 46 -7.275 -5.992 7.903 1.00 0.00 C ATOM 683 NZ LYS A 46 -7.174 -6.941 9.043 1.00 0.00 N ATOM 0 H LYS A 46 -3.973 -3.110 4.113 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.875 -1.499 5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.056 -3.763 6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.884 -2.668 7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.068 -3.478 6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.277 -4.523 5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.175 -5.777 7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.812 -4.672 8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.145 -5.349 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.431 -6.547 6.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.043 -7.509 9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.358 -7.570 8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.050 -6.409 9.928 1.00 0.00 H new ATOM 697 N LYS A 47 -3.966 -0.118 6.681 1.00 0.00 N ATOM 698 CA LYS A 47 -2.859 0.669 7.197 1.00 0.00 C ATOM 699 C LYS A 47 -2.487 0.148 8.569 1.00 0.00 C ATOM 700 O LYS A 47 -3.174 0.442 9.549 1.00 0.00 O ATOM 701 CB LYS A 47 -3.218 2.150 7.298 1.00 0.00 C ATOM 702 CG LYS A 47 -3.125 2.898 5.986 1.00 0.00 C ATOM 703 CD LYS A 47 -3.314 4.388 6.204 1.00 0.00 C ATOM 704 CE LYS A 47 -2.969 5.180 4.959 1.00 0.00 C ATOM 705 NZ LYS A 47 -1.593 4.884 4.485 1.00 0.00 N ATOM 0 H LYS A 47 -4.888 0.194 6.987 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.020 0.575 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.233 2.241 7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.556 2.625 8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.155 2.713 5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.883 2.527 5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.347 4.587 6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.687 4.718 7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.684 4.947 4.170 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.061 6.246 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.176 5.742 4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.010 4.568 5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.628 4.134 3.765 1.00 0.00 H new ATOM 719 N ASN A 48 -1.423 -0.654 8.619 1.00 0.00 N ATOM 720 CA ASN A 48 -0.932 -1.279 9.857 1.00 0.00 C ATOM 721 C ASN A 48 -1.926 -2.315 10.410 1.00 0.00 C ATOM 722 O ASN A 48 -1.529 -3.326 10.994 1.00 0.00 O ATOM 723 CB ASN A 48 -0.626 -0.208 10.911 1.00 0.00 C ATOM 724 CG ASN A 48 0.186 -0.741 12.073 1.00 0.00 C ATOM 725 OD1 ASN A 48 -0.363 -1.200 13.074 1.00 0.00 O ATOM 726 ND2 ASN A 48 1.504 -0.680 11.945 1.00 0.00 N ATOM 0 H ASN A 48 -0.870 -0.893 7.796 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.011 -1.810 9.615 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.084 0.613 10.441 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.563 0.203 11.287 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.106 -1.022 12.694 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.917 -0.291 11.097 1.00 0.00 H new ATOM 733 N GLY A 49 -3.210 -2.062 10.199 1.00 0.00 N ATOM 734 CA GLY A 49 -4.257 -2.932 10.694 1.00 0.00 C ATOM 735 C GLY A 49 -5.645 -2.411 10.349 1.00 0.00 C ATOM 736 O GLY A 49 -6.601 -3.176 10.299 1.00 0.00 O ATOM 0 H GLY A 49 -3.550 -1.251 9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.129 -3.929 10.272 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.165 -3.030 11.776 1.00 0.00 H new ATOM 740 N GLN A 50 -5.751 -1.114 10.077 1.00 0.00 N ATOM 741 CA GLN A 50 -7.037 -0.496 9.768 1.00 0.00 C ATOM 742 C GLN A 50 -7.351 -0.636 8.284 1.00 0.00 C ATOM 743 O GLN A 50 -6.537 -0.275 7.441 1.00 0.00 O ATOM 744 CB GLN A 50 -7.012 0.988 10.141 1.00 0.00 C ATOM 745 CG GLN A 50 -6.643 1.251 11.593 1.00 0.00 C ATOM 746 CD GLN A 50 -7.627 0.633 12.563 1.00 0.00 C ATOM 747 OE1 GLN A 50 -7.455 -0.505 13.000 1.00 0.00 O ATOM 748 NE2 GLN A 50 -8.662 1.378 12.905 1.00 0.00 N ATOM 0 H GLN A 50 -4.961 -0.469 10.064 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.809 -1.003 10.347 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.300 1.503 9.496 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.993 1.420 9.941 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.647 0.854 11.789 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.597 2.327 11.764 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.765 2.316 12.518 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.359 1.015 13.556 1.00 0.00 H new ATOM 757 N ILE A 51 -8.529 -1.160 7.972 1.00 0.00 N ATOM 758 CA ILE A 51 -8.931 -1.383 6.585 1.00 0.00 C ATOM 759 C ILE A 51 -9.063 -0.054 5.845 1.00 0.00 C ATOM 760 O ILE A 51 -9.805 0.831 6.272 1.00 0.00 O ATOM 761 CB ILE A 51 -10.269 -2.165 6.484 1.00 0.00 C ATOM 762 CG1 ILE A 51 -10.130 -3.588 7.043 1.00 0.00 C ATOM 763 CG2 ILE A 51 -10.752 -2.224 5.041 1.00 0.00 C ATOM 764 CD1 ILE A 51 -10.135 -3.670 8.556 1.00 0.00 C ATOM 0 H ILE A 51 -9.227 -1.440 8.661 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.150 -1.986 6.121 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.004 -1.630 7.085 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -10.946 -4.199 6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.202 -4.022 6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.691 -2.776 4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.907 -1.212 4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.004 -2.726 4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.033 -4.710 8.864 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.303 -3.090 8.955 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -11.073 -3.269 8.939 1.00 0.00 H new ATOM 776 N VAL A 52 -8.335 0.078 4.745 1.00 0.00 N ATOM 777 CA VAL A 52 -8.325 1.306 3.962 1.00 0.00 C ATOM 778 C VAL A 52 -8.550 1.015 2.482 1.00 0.00 C ATOM 779 O VAL A 52 -8.691 -0.140 2.076 1.00 0.00 O ATOM 780 CB VAL A 52 -6.992 2.080 4.116 1.00 0.00 C ATOM 781 CG1 VAL A 52 -6.818 2.594 5.535 1.00 0.00 C ATOM 782 CG2 VAL A 52 -5.810 1.210 3.712 1.00 0.00 C ATOM 0 H VAL A 52 -7.737 -0.659 4.371 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.138 1.922 4.346 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.028 2.940 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.874 3.133 5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.641 3.265 5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.814 1.753 6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.885 1.775 3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.776 0.324 4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.921 0.906 2.671 1.00 0.00 H new ATOM 792 N ILE A 53 -8.584 2.073 1.685 1.00 0.00 N ATOM 793 CA ILE A 53 -8.736 1.949 0.244 1.00 0.00 C ATOM 794 C ILE A 53 -7.514 2.517 -0.468 1.00 0.00 C ATOM 795 O ILE A 53 -6.544 2.919 0.176 1.00 0.00 O ATOM 796 CB ILE A 53 -10.006 2.668 -0.261 1.00 0.00 C ATOM 797 CG1 ILE A 53 -9.989 4.141 0.161 1.00 0.00 C ATOM 798 CG2 ILE A 53 -11.258 1.971 0.259 1.00 0.00 C ATOM 799 CD1 ILE A 53 -11.178 4.933 -0.337 1.00 0.00 C ATOM 0 H ILE A 53 -8.508 3.035 2.016 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.833 0.887 0.018 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.020 2.624 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -9.957 4.197 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.075 4.605 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.143 2.492 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.273 0.939 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.255 1.983 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.095 5.966 0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.200 4.909 -1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.096 4.495 0.054 1.00 0.00 H new ATOM 811 N ASP A 54 -7.570 2.570 -1.789 1.00 0.00 N ATOM 812 CA ASP A 54 -6.439 3.023 -2.591 1.00 0.00 C ATOM 813 C ASP A 54 -6.270 4.539 -2.527 1.00 0.00 C ATOM 814 O ASP A 54 -5.222 5.069 -2.891 1.00 0.00 O ATOM 815 CB ASP A 54 -6.603 2.575 -4.046 1.00 0.00 C ATOM 816 CG ASP A 54 -7.859 3.123 -4.690 1.00 0.00 C ATOM 817 OD1 ASP A 54 -8.967 2.687 -4.310 1.00 0.00 O ATOM 818 OD2 ASP A 54 -7.750 3.978 -5.584 1.00 0.00 O ATOM 0 H ASP A 54 -8.390 2.304 -2.333 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.540 2.569 -2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.735 2.898 -4.621 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.625 1.486 -4.086 1.00 0.00 H new ATOM 823 N GLU A 55 -7.284 5.240 -2.042 1.00 0.00 N ATOM 824 CA GLU A 55 -7.219 6.694 -1.967 1.00 0.00 C ATOM 825 C GLU A 55 -6.522 7.171 -0.693 1.00 0.00 C ATOM 826 O GLU A 55 -6.517 8.364 -0.390 1.00 0.00 O ATOM 827 CB GLU A 55 -8.613 7.310 -2.064 1.00 0.00 C ATOM 828 CG GLU A 55 -9.239 7.177 -3.440 1.00 0.00 C ATOM 829 CD GLU A 55 -10.287 8.239 -3.690 1.00 0.00 C ATOM 830 OE1 GLU A 55 -9.907 9.408 -3.911 1.00 0.00 O ATOM 831 OE2 GLU A 55 -11.495 7.920 -3.654 1.00 0.00 O ATOM 0 H GLU A 55 -8.153 4.832 -1.698 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.625 7.028 -2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.264 6.834 -1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.554 8.366 -1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.462 7.249 -4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.692 6.190 -3.539 1.00 0.00 H new ATOM 838 N GLU A 56 -5.923 6.245 0.040 1.00 0.00 N ATOM 839 CA GLU A 56 -5.163 6.596 1.233 1.00 0.00 C ATOM 840 C GLU A 56 -3.734 6.978 0.869 1.00 0.00 C ATOM 841 O GLU A 56 -3.102 6.334 0.033 1.00 0.00 O ATOM 842 CB GLU A 56 -5.163 5.438 2.227 1.00 0.00 C ATOM 843 CG GLU A 56 -6.499 5.235 2.911 1.00 0.00 C ATOM 844 CD GLU A 56 -6.886 6.420 3.770 1.00 0.00 C ATOM 845 OE1 GLU A 56 -6.328 6.564 4.878 1.00 0.00 O ATOM 846 OE2 GLU A 56 -7.747 7.216 3.345 1.00 0.00 O ATOM 0 H GLU A 56 -5.947 5.247 -0.168 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.642 7.457 1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.886 4.521 1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.399 5.618 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.269 5.067 2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.456 4.338 3.529 1.00 0.00 H new ATOM 853 N GLU A 57 -3.233 8.035 1.485 1.00 0.00 N ATOM 854 CA GLU A 57 -1.885 8.519 1.215 1.00 0.00 C ATOM 855 C GLU A 57 -0.853 7.635 1.910 1.00 0.00 C ATOM 856 O GLU A 57 -1.161 6.958 2.891 1.00 0.00 O ATOM 857 CB GLU A 57 -1.727 9.966 1.693 1.00 0.00 C ATOM 858 CG GLU A 57 -2.945 10.840 1.436 1.00 0.00 C ATOM 859 CD GLU A 57 -3.913 10.852 2.605 1.00 0.00 C ATOM 860 OE1 GLU A 57 -4.559 9.815 2.868 1.00 0.00 O ATOM 861 OE2 GLU A 57 -4.030 11.901 3.270 1.00 0.00 O ATOM 0 H GLU A 57 -3.742 8.580 2.181 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.720 8.481 0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.514 9.963 2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.864 10.409 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.619 11.859 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.462 10.483 0.545 1.00 0.00 H new ATOM 868 N ILE A 58 0.366 7.631 1.397 1.00 0.00 N ATOM 869 CA ILE A 58 1.447 6.879 2.012 1.00 0.00 C ATOM 870 C ILE A 58 2.296 7.804 2.873 1.00 0.00 C ATOM 871 O ILE A 58 2.793 8.825 2.395 1.00 0.00 O ATOM 872 CB ILE A 58 2.342 6.207 0.953 1.00 0.00 C ATOM 873 CG1 ILE A 58 1.495 5.352 0.006 1.00 0.00 C ATOM 874 CG2 ILE A 58 3.406 5.355 1.630 1.00 0.00 C ATOM 875 CD1 ILE A 58 2.286 4.734 -1.128 1.00 0.00 C ATOM 0 H ILE A 58 0.632 8.141 0.555 1.00 0.00 H new ATOM 0 HA ILE A 58 1.000 6.099 2.629 1.00 0.00 H new ATOM 0 HB ILE A 58 2.837 6.983 0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.016 4.558 0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.699 5.968 -0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.032 4.885 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.023 5.985 2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.926 4.584 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.620 4.143 -1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.743 5.523 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.065 4.090 -0.720 1.00 0.00 H new ATOM 887 N PHE A 59 2.450 7.451 4.140 1.00 0.00 N ATOM 888 CA PHE A 59 3.202 8.274 5.071 1.00 0.00 C ATOM 889 C PHE A 59 4.469 7.558 5.515 1.00 0.00 C ATOM 890 O PHE A 59 4.540 6.329 5.492 1.00 0.00 O ATOM 891 CB PHE A 59 2.342 8.625 6.289 1.00 0.00 C ATOM 892 CG PHE A 59 1.113 9.422 5.952 1.00 0.00 C ATOM 893 CD1 PHE A 59 1.198 10.787 5.722 1.00 0.00 C ATOM 894 CD2 PHE A 59 -0.127 8.808 5.861 1.00 0.00 C ATOM 895 CE1 PHE A 59 0.070 11.521 5.409 1.00 0.00 C ATOM 896 CE2 PHE A 59 -1.256 9.539 5.551 1.00 0.00 C ATOM 897 CZ PHE A 59 -1.158 10.897 5.324 1.00 0.00 C ATOM 0 H PHE A 59 2.063 6.599 4.546 1.00 0.00 H new ATOM 0 HA PHE A 59 3.483 9.196 4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.041 7.704 6.788 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.947 9.189 6.999 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.156 11.281 5.788 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.210 7.745 6.035 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.149 12.583 5.231 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.216 9.048 5.486 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.040 11.470 5.080 1.00 0.00 H new ATOM 907 N ASP A 60 5.469 8.335 5.902 1.00 0.00 N ATOM 908 CA ASP A 60 6.730 7.787 6.386 1.00 0.00 C ATOM 909 C ASP A 60 6.543 7.110 7.737 1.00 0.00 C ATOM 910 O ASP A 60 6.040 7.718 8.683 1.00 0.00 O ATOM 911 CB ASP A 60 7.784 8.889 6.494 1.00 0.00 C ATOM 912 CG ASP A 60 9.050 8.409 7.171 1.00 0.00 C ATOM 913 OD1 ASP A 60 9.707 7.493 6.636 1.00 0.00 O ATOM 914 OD2 ASP A 60 9.387 8.937 8.253 1.00 0.00 O ATOM 0 H ASP A 60 5.432 9.354 5.891 1.00 0.00 H new ATOM 0 HA ASP A 60 7.072 7.040 5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.025 9.257 5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.372 9.729 7.053 1.00 0.00 H new ATOM 919 N GLY A 61 6.933 5.847 7.814 1.00 0.00 N ATOM 920 CA GLY A 61 6.794 5.101 9.046 1.00 0.00 C ATOM 921 C GLY A 61 5.466 4.383 9.122 1.00 0.00 C ATOM 922 O GLY A 61 5.140 3.767 10.139 1.00 0.00 O ATOM 0 H GLY A 61 7.345 5.324 7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.604 4.376 9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.889 5.779 9.894 1.00 0.00 H new ATOM 926 N ASP A 62 4.701 4.466 8.042 1.00 0.00 N ATOM 927 CA ASP A 62 3.402 3.810 7.965 1.00 0.00 C ATOM 928 C ASP A 62 3.554 2.439 7.312 1.00 0.00 C ATOM 929 O ASP A 62 4.515 2.195 6.579 1.00 0.00 O ATOM 930 CB ASP A 62 2.419 4.692 7.180 1.00 0.00 C ATOM 931 CG ASP A 62 1.007 4.140 7.154 1.00 0.00 C ATOM 932 OD1 ASP A 62 0.599 3.498 8.143 1.00 0.00 O ATOM 933 OD2 ASP A 62 0.306 4.353 6.140 1.00 0.00 O ATOM 0 H ASP A 62 4.959 4.984 7.202 1.00 0.00 H new ATOM 0 HA ASP A 62 3.004 3.667 8.970 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.404 5.689 7.621 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.778 4.802 6.157 1.00 0.00 H new ATOM 938 N ILE A 63 2.617 1.547 7.581 1.00 0.00 N ATOM 939 CA ILE A 63 2.723 0.166 7.137 1.00 0.00 C ATOM 940 C ILE A 63 1.530 -0.205 6.264 1.00 0.00 C ATOM 941 O ILE A 63 0.380 -0.087 6.686 1.00 0.00 O ATOM 942 CB ILE A 63 2.805 -0.798 8.343 1.00 0.00 C ATOM 943 CG1 ILE A 63 3.973 -0.421 9.268 1.00 0.00 C ATOM 944 CG2 ILE A 63 2.943 -2.238 7.875 1.00 0.00 C ATOM 945 CD1 ILE A 63 5.339 -0.476 8.613 1.00 0.00 C ATOM 0 H ILE A 63 1.769 1.755 8.108 1.00 0.00 H new ATOM 0 HA ILE A 63 3.638 0.072 6.553 1.00 0.00 H new ATOM 0 HB ILE A 63 1.877 -0.707 8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.807 0.587 9.649 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.969 -1.091 10.128 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.999 -2.898 8.741 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.079 -2.508 7.268 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.851 -2.342 7.280 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.102 -0.195 9.339 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.532 -1.488 8.258 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.367 0.216 7.771 1.00 0.00 H new ATOM 957 N ILE A 64 1.804 -0.653 5.048 1.00 0.00 N ATOM 958 CA ILE A 64 0.747 -1.004 4.111 1.00 0.00 C ATOM 959 C ILE A 64 0.538 -2.513 4.088 1.00 0.00 C ATOM 960 O ILE A 64 1.368 -3.264 3.572 1.00 0.00 O ATOM 961 CB ILE A 64 1.054 -0.498 2.683 1.00 0.00 C ATOM 962 CG1 ILE A 64 1.347 1.009 2.701 1.00 0.00 C ATOM 963 CG2 ILE A 64 -0.110 -0.808 1.748 1.00 0.00 C ATOM 964 CD1 ILE A 64 0.227 1.846 3.289 1.00 0.00 C ATOM 0 H ILE A 64 2.749 -0.782 4.687 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.165 -0.515 4.453 1.00 0.00 H new ATOM 0 HB ILE A 64 1.939 -1.016 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.258 1.185 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.541 1.344 1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.121 -0.446 0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.274 -1.885 1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.011 -0.315 2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.509 2.899 3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.681 1.701 2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.047 1.540 4.320 1.00 0.00 H new ATOM 976 N GLU A 65 -0.571 -2.950 4.657 1.00 0.00 N ATOM 977 CA GLU A 65 -0.872 -4.364 4.756 1.00 0.00 C ATOM 978 C GLU A 65 -1.857 -4.791 3.671 1.00 0.00 C ATOM 979 O GLU A 65 -3.065 -4.609 3.819 1.00 0.00 O ATOM 980 CB GLU A 65 -1.455 -4.686 6.133 1.00 0.00 C ATOM 981 CG GLU A 65 -0.556 -4.287 7.294 1.00 0.00 C ATOM 982 CD GLU A 65 0.672 -5.160 7.423 1.00 0.00 C ATOM 983 OE1 GLU A 65 1.603 -5.010 6.615 1.00 0.00 O ATOM 984 OE2 GLU A 65 0.719 -5.988 8.358 1.00 0.00 O ATOM 0 H GLU A 65 -1.282 -2.340 5.060 1.00 0.00 H new ATOM 0 HA GLU A 65 0.058 -4.916 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.414 -4.178 6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.653 -5.756 6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.245 -3.250 7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.127 -4.335 8.221 1.00 0.00 H new ATOM 991 N VAL A 66 -1.348 -5.339 2.577 1.00 0.00 N ATOM 992 CA VAL A 66 -2.209 -5.834 1.514 1.00 0.00 C ATOM 993 C VAL A 66 -2.439 -7.330 1.683 1.00 0.00 C ATOM 994 O VAL A 66 -1.552 -8.150 1.432 1.00 0.00 O ATOM 995 CB VAL A 66 -1.633 -5.552 0.109 1.00 0.00 C ATOM 996 CG1 VAL A 66 -2.534 -6.137 -0.977 1.00 0.00 C ATOM 997 CG2 VAL A 66 -1.449 -4.057 -0.097 1.00 0.00 C ATOM 0 H VAL A 66 -0.349 -5.452 2.403 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.156 -5.300 1.593 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.659 -6.036 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.107 -5.925 -1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.614 -7.216 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.525 -5.688 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.042 -3.874 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.412 -3.555 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.761 -3.668 0.653 1.00 0.00 H new ATOM 1007 N ILE A 67 -3.634 -7.676 2.121 1.00 0.00 N ATOM 1008 CA ILE A 67 -3.993 -9.060 2.346 1.00 0.00 C ATOM 1009 C ILE A 67 -4.639 -9.634 1.093 1.00 0.00 C ATOM 1010 O ILE A 67 -5.814 -9.378 0.811 1.00 0.00 O ATOM 1011 CB ILE A 67 -4.975 -9.217 3.531 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -4.459 -8.460 4.759 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -5.177 -10.694 3.860 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -5.409 -8.495 5.937 1.00 0.00 C ATOM 0 H ILE A 67 -4.378 -7.010 2.329 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.077 -9.599 2.586 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.936 -8.791 3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.502 -8.885 5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.273 -7.422 4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.870 -10.789 4.696 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.585 -11.208 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.220 -11.141 4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.977 -7.939 6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.359 -8.043 5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.576 -9.529 6.239 1.00 0.00 H new ATOM 1026 N ARG A 68 -3.857 -10.367 0.318 1.00 0.00 N ATOM 1027 CA ARG A 68 -4.377 -11.022 -0.868 1.00 0.00 C ATOM 1028 C ARG A 68 -5.194 -12.241 -0.454 1.00 0.00 C ATOM 1029 O ARG A 68 -4.706 -13.115 0.264 1.00 0.00 O ATOM 1030 CB ARG A 68 -3.239 -11.422 -1.821 1.00 0.00 C ATOM 1031 CG ARG A 68 -2.295 -12.464 -1.243 1.00 0.00 C ATOM 1032 CD ARG A 68 -1.234 -12.905 -2.242 1.00 0.00 C ATOM 1033 NE ARG A 68 -1.807 -13.452 -3.473 1.00 0.00 N ATOM 1034 CZ ARG A 68 -2.303 -14.686 -3.595 1.00 0.00 C ATOM 1035 NH1 ARG A 68 -2.317 -15.506 -2.550 1.00 0.00 N ATOM 1036 NH2 ARG A 68 -2.772 -15.102 -4.761 1.00 0.00 N ATOM 0 H ARG A 68 -2.863 -10.522 0.489 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.021 -10.326 -1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.670 -11.808 -2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.667 -10.532 -2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.808 -12.057 -0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.870 -13.332 -0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.598 -12.055 -2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.595 -13.657 -1.779 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.829 -12.849 -4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.948 -15.194 -1.652 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.696 -16.448 -2.646 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.755 -14.480 -5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.150 -16.045 -4.851 1.00 0.00 H new