USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 616 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 1 MET N :NH3+ -134:sc= 0.764 (180deg=-0.0883) USER MOD Set 1.2: A 36 ASN : amide:sc= 0.119 K(o=0.88,f=-8.9!) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.127 (180deg=-1.27) USER MOD Single : A 6 THR OG1 : rot 114:sc= -0.623 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 78:sc= 0.182 USER MOD Single : A 30 GLN : amide:sc= -0.0574 K(o=-0.057,f=-2!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 48 ASN : amide:sc= -1.97! C(o=-2!,f=-6.6!) USER MOD Single : A 49 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.24) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -95:sc= -0.612! USER MOD Single : A 57 LYS NZ :NH3+ -158:sc= -0.143 (180deg=-0.928) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0179 K(o=-0.018,f=-1.8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.9!) USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.456 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.547 3.863 -0.727 1.00 0.00 N ATOM 2 CA MET A 1 -12.814 2.579 -0.542 1.00 0.00 C ATOM 3 C MET A 1 -11.792 2.739 0.575 1.00 0.00 C ATOM 4 O MET A 1 -11.165 3.791 0.699 1.00 0.00 O ATOM 5 CB MET A 1 -12.081 2.215 -1.839 1.00 0.00 C ATOM 6 CG MET A 1 -13.095 2.020 -2.969 1.00 0.00 C ATOM 7 SD MET A 1 -12.313 1.140 -4.349 1.00 0.00 S ATOM 8 CE MET A 1 -10.839 2.180 -4.510 1.00 0.00 C ATOM 0 H1 MET A 1 -14.567 3.673 -0.799 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.367 4.486 0.086 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.219 4.328 -1.598 1.00 0.00 H new ATOM 0 HA MET A 1 -13.523 1.792 -0.287 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.376 3.003 -2.103 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.501 1.303 -1.697 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.954 1.456 -2.606 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.468 2.987 -3.307 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.414 2.057 -5.506 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.112 3.224 -4.358 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.102 1.885 -3.763 1.00 0.00 H new ATOM 20 N ARG A 2 -11.599 1.682 1.369 1.00 0.00 N ATOM 21 CA ARG A 2 -10.613 1.712 2.455 1.00 0.00 C ATOM 22 C ARG A 2 -9.597 0.597 2.237 1.00 0.00 C ATOM 23 O ARG A 2 -9.962 -0.552 1.985 1.00 0.00 O ATOM 24 CB ARG A 2 -11.290 1.543 3.819 1.00 0.00 C ATOM 25 CG ARG A 2 -12.103 2.798 4.154 1.00 0.00 C ATOM 26 CD ARG A 2 -12.761 2.623 5.526 1.00 0.00 C ATOM 27 NE ARG A 2 -13.633 3.754 5.823 1.00 0.00 N ATOM 28 CZ ARG A 2 -14.366 3.780 6.932 1.00 0.00 C ATOM 29 NH1 ARG A 2 -14.948 2.690 7.355 1.00 0.00 N ATOM 30 NH2 ARG A 2 -14.505 4.895 7.599 1.00 0.00 N ATOM 0 H ARG A 2 -12.107 0.802 1.282 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.111 2.680 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.941 0.669 3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.539 1.369 4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.455 3.675 4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.864 2.967 3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.337 1.698 5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.994 2.536 6.295 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.681 4.536 5.170 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.840 1.819 6.835 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -15.510 2.709 8.206 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -14.051 5.747 7.269 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -15.068 4.914 8.450 1.00 0.00 H new ATOM 44 N ILE A 3 -8.321 0.953 2.315 1.00 0.00 N ATOM 45 CA ILE A 3 -7.236 -0.005 2.104 1.00 0.00 C ATOM 46 C ILE A 3 -6.395 -0.123 3.369 1.00 0.00 C ATOM 47 O ILE A 3 -5.874 0.877 3.863 1.00 0.00 O ATOM 48 CB ILE A 3 -6.336 0.484 0.954 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.122 0.497 -0.380 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.136 -0.463 0.821 1.00 0.00 C ATOM 51 CD1 ILE A 3 -7.939 1.789 -0.534 1.00 0.00 C ATOM 0 H ILE A 3 -8.008 1.901 2.524 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.664 -0.976 1.857 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.997 1.496 1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.428 0.402 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.789 -0.364 -0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.493 -0.124 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.571 -0.467 1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.490 -1.471 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.479 1.767 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.650 1.870 0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.268 2.648 -0.519 1.00 0.00 H new ATOM 63 N GLU A 4 -6.256 -1.341 3.886 1.00 0.00 N ATOM 64 CA GLU A 4 -5.457 -1.567 5.098 1.00 0.00 C ATOM 65 C GLU A 4 -4.342 -2.578 4.843 1.00 0.00 C ATOM 66 O GLU A 4 -4.578 -3.659 4.301 1.00 0.00 O ATOM 67 CB GLU A 4 -6.348 -2.051 6.245 1.00 0.00 C ATOM 68 CG GLU A 4 -7.415 -0.994 6.541 1.00 0.00 C ATOM 69 CD GLU A 4 -8.313 -1.459 7.682 1.00 0.00 C ATOM 70 OE1 GLU A 4 -8.344 -2.652 7.938 1.00 0.00 O ATOM 71 OE2 GLU A 4 -8.955 -0.615 8.286 1.00 0.00 O ATOM 0 H GLU A 4 -6.679 -2.182 3.493 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.001 -0.617 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.821 -2.996 5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.746 -2.235 7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.939 -0.050 6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.014 -0.811 5.649 1.00 0.00 H new ATOM 78 N VAL A 5 -3.122 -2.199 5.221 1.00 0.00 N ATOM 79 CA VAL A 5 -1.947 -3.059 5.013 1.00 0.00 C ATOM 80 C VAL A 5 -1.272 -3.408 6.335 1.00 0.00 C ATOM 81 O VAL A 5 -1.040 -2.542 7.175 1.00 0.00 O ATOM 82 CB VAL A 5 -0.945 -2.344 4.112 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.160 -3.315 3.695 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.668 -1.809 2.873 1.00 0.00 C ATOM 0 H VAL A 5 -2.917 -1.307 5.671 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.284 -3.984 4.545 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.497 -1.512 4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.873 -2.800 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.673 -3.685 4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.278 -4.153 3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.954 -1.298 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.120 -2.638 2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.446 -1.110 3.179 1.00 0.00 H new ATOM 94 N THR A 6 -0.953 -4.694 6.509 1.00 0.00 N ATOM 95 CA THR A 6 -0.294 -5.170 7.729 1.00 0.00 C ATOM 96 C THR A 6 1.038 -5.818 7.404 1.00 0.00 C ATOM 97 O THR A 6 1.149 -6.624 6.481 1.00 0.00 O ATOM 98 CB THR A 6 -1.185 -6.177 8.444 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.200 -7.395 7.712 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.606 -5.622 8.546 1.00 0.00 C ATOM 0 H THR A 6 -1.140 -5.424 5.821 1.00 0.00 H new ATOM 0 HA THR A 6 -0.118 -4.312 8.377 1.00 0.00 H new ATOM 0 HB THR A 6 -0.797 -6.360 9.446 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.776 -8.101 8.243 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.243 -6.344 9.058 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.592 -4.688 9.107 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.998 -5.438 7.545 1.00 0.00 H new ATOM 108 N ILE A 7 2.048 -5.459 8.189 1.00 0.00 N ATOM 109 CA ILE A 7 3.397 -5.991 8.031 1.00 0.00 C ATOM 110 C ILE A 7 3.786 -6.785 9.284 1.00 0.00 C ATOM 111 O ILE A 7 3.599 -6.316 10.407 1.00 0.00 O ATOM 112 CB ILE A 7 4.358 -4.815 7.824 1.00 0.00 C ATOM 113 CG1 ILE A 7 4.214 -4.261 6.384 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.817 -5.244 8.105 1.00 0.00 C ATOM 115 CD1 ILE A 7 5.105 -5.037 5.399 1.00 0.00 C ATOM 0 H ILE A 7 1.955 -4.790 8.954 1.00 0.00 H new ATOM 0 HA ILE A 7 3.445 -6.659 7.171 1.00 0.00 H new ATOM 0 HB ILE A 7 4.101 -4.024 8.529 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.173 -4.328 6.068 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.484 -3.205 6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.482 -4.394 7.952 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.902 -5.591 9.135 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.096 -6.050 7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.983 -4.626 4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.148 -4.947 5.704 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.816 -6.088 5.398 1.00 0.00 H new ATOM 127 N ALA A 8 4.313 -7.990 9.083 1.00 0.00 N ATOM 128 CA ALA A 8 4.711 -8.847 10.198 1.00 0.00 C ATOM 129 C ALA A 8 5.881 -8.254 10.964 1.00 0.00 C ATOM 130 O ALA A 8 6.857 -7.759 10.401 1.00 0.00 O ATOM 131 CB ALA A 8 5.105 -10.218 9.657 1.00 0.00 C ATOM 0 H ALA A 8 4.474 -8.395 8.161 1.00 0.00 H new ATOM 0 HA ALA A 8 3.867 -8.934 10.882 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.403 -10.863 10.483 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.256 -10.662 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.938 -10.109 8.962 1.00 0.00 H new ATOM 137 N LYS A 9 5.722 -8.323 12.277 1.00 0.00 N ATOM 138 CA LYS A 9 6.699 -7.811 13.222 1.00 0.00 C ATOM 139 C LYS A 9 8.049 -8.517 13.076 1.00 0.00 C ATOM 140 O LYS A 9 9.087 -7.930 13.379 1.00 0.00 O ATOM 141 CB LYS A 9 6.185 -7.945 14.668 1.00 0.00 C ATOM 142 CG LYS A 9 5.079 -6.926 15.008 1.00 0.00 C ATOM 143 CD LYS A 9 4.631 -7.133 16.463 1.00 0.00 C ATOM 144 CE LYS A 9 3.835 -8.440 16.603 1.00 0.00 C ATOM 145 NZ LYS A 9 2.984 -8.368 17.825 1.00 0.00 N ATOM 0 H LYS A 9 4.903 -8.740 12.719 1.00 0.00 H new ATOM 0 HA LYS A 9 6.845 -6.755 12.996 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.802 -8.954 14.820 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.018 -7.813 15.358 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.449 -5.910 14.870 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.232 -7.051 14.333 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.502 -7.160 17.117 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.017 -6.291 16.784 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.214 -8.597 15.721 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.516 -9.289 16.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.443 -9.251 17.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.588 -8.236 18.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.326 -7.566 17.743 1.00 0.00 H new ATOM 159 N THR A 10 8.049 -9.760 12.598 1.00 0.00 N ATOM 160 CA THR A 10 9.298 -10.489 12.412 1.00 0.00 C ATOM 161 C THR A 10 10.152 -9.793 11.357 1.00 0.00 C ATOM 162 O THR A 10 11.334 -10.102 11.207 1.00 0.00 O ATOM 163 CB THR A 10 9.005 -11.921 11.956 1.00 0.00 C ATOM 164 OG1 THR A 10 8.058 -11.895 10.898 1.00 0.00 O ATOM 165 CG2 THR A 10 8.452 -12.736 13.128 1.00 0.00 C ATOM 0 H THR A 10 7.209 -10.276 12.336 1.00 0.00 H new ATOM 0 HA THR A 10 9.835 -10.512 13.360 1.00 0.00 H new ATOM 0 HB THR A 10 9.927 -12.385 11.605 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.871 -12.811 10.604 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.245 -13.754 12.798 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.185 -12.758 13.934 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.531 -12.277 13.488 1.00 0.00 H new ATOM 173 N SER A 11 9.551 -8.858 10.617 1.00 0.00 N ATOM 174 CA SER A 11 10.270 -8.127 9.563 1.00 0.00 C ATOM 175 C SER A 11 10.198 -6.612 9.795 1.00 0.00 C ATOM 176 O SER A 11 9.392 -5.923 9.169 1.00 0.00 O ATOM 177 CB SER A 11 9.651 -8.458 8.204 1.00 0.00 C ATOM 178 OG SER A 11 10.376 -7.790 7.179 1.00 0.00 O ATOM 0 H SER A 11 8.573 -8.588 10.725 1.00 0.00 H new ATOM 0 HA SER A 11 11.316 -8.432 9.586 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.671 -9.535 8.036 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.605 -8.151 8.184 1.00 0.00 H new ATOM 0 HG SER A 11 9.981 -8.002 6.308 1.00 0.00 H new ATOM 184 N PRO A 12 11.023 -6.085 10.673 1.00 0.00 N ATOM 185 CA PRO A 12 11.063 -4.628 10.990 1.00 0.00 C ATOM 186 C PRO A 12 11.698 -3.758 9.897 1.00 0.00 C ATOM 187 O PRO A 12 12.762 -4.081 9.369 1.00 0.00 O ATOM 188 CB PRO A 12 11.824 -4.528 12.333 1.00 0.00 C ATOM 189 CG PRO A 12 12.170 -5.942 12.727 1.00 0.00 C ATOM 190 CD PRO A 12 12.020 -6.808 11.472 1.00 0.00 C ATOM 0 HA PRO A 12 10.050 -4.230 11.055 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.724 -3.922 12.226 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.208 -4.051 13.095 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.188 -5.996 13.113 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.509 -6.294 13.519 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.965 -6.909 10.939 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.684 -7.815 11.717 1.00 0.00 H new ATOM 198 N LEU A 13 11.048 -2.631 9.599 1.00 0.00 N ATOM 199 CA LEU A 13 11.549 -1.676 8.611 1.00 0.00 C ATOM 200 C LEU A 13 12.028 -0.422 9.357 1.00 0.00 C ATOM 201 O LEU A 13 11.483 -0.095 10.411 1.00 0.00 O ATOM 202 CB LEU A 13 10.436 -1.323 7.619 1.00 0.00 C ATOM 203 CG LEU A 13 9.723 -2.613 7.165 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.653 -2.285 6.113 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.738 -3.595 6.558 1.00 0.00 C ATOM 0 H LEU A 13 10.166 -2.357 10.033 1.00 0.00 H new ATOM 0 HA LEU A 13 12.377 -2.107 8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.721 -0.644 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.854 -0.803 6.757 1.00 0.00 H new ATOM 0 HG LEU A 13 9.251 -3.069 8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.157 -3.204 5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.918 -1.603 6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.124 -1.815 5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.222 -4.502 6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.221 -3.133 5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.491 -3.848 7.304 1.00 0.00 H new ATOM 217 N PRO A 14 13.046 0.262 8.883 1.00 0.00 N ATOM 218 CA PRO A 14 13.581 1.458 9.595 1.00 0.00 C ATOM 219 C PRO A 14 12.477 2.417 10.062 1.00 0.00 C ATOM 220 O PRO A 14 11.407 2.515 9.462 1.00 0.00 O ATOM 221 CB PRO A 14 14.568 2.119 8.609 1.00 0.00 C ATOM 222 CG PRO A 14 14.557 1.278 7.350 1.00 0.00 C ATOM 223 CD PRO A 14 13.792 -0.023 7.651 1.00 0.00 C ATOM 0 HA PRO A 14 14.081 1.172 10.520 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.269 3.144 8.392 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.570 2.163 9.036 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.079 1.820 6.534 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.576 1.056 7.032 1.00 0.00 H new ATOM 0 HD2 PRO A 14 13.121 -0.286 6.833 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.475 -0.862 7.786 1.00 0.00 H new ATOM 231 N ALA A 15 12.778 3.082 11.175 1.00 0.00 N ATOM 232 CA ALA A 15 11.866 4.026 11.826 1.00 0.00 C ATOM 233 C ALA A 15 11.408 5.160 10.900 1.00 0.00 C ATOM 234 O ALA A 15 11.529 6.332 11.255 1.00 0.00 O ATOM 235 CB ALA A 15 12.585 4.640 13.026 1.00 0.00 C ATOM 0 H ALA A 15 13.671 2.981 11.657 1.00 0.00 H new ATOM 0 HA ALA A 15 10.976 3.470 12.120 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.922 5.347 13.525 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.866 3.852 13.724 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.480 5.160 12.686 1.00 0.00 H new ATOM 241 N GLY A 16 10.888 4.825 9.724 1.00 0.00 N ATOM 242 CA GLY A 16 10.432 5.854 8.791 1.00 0.00 C ATOM 243 C GLY A 16 9.820 5.240 7.540 1.00 0.00 C ATOM 244 O GLY A 16 9.149 5.918 6.760 1.00 0.00 O ATOM 0 H GLY A 16 10.772 3.866 9.396 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.697 6.492 9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.271 6.491 8.512 1.00 0.00 H new ATOM 248 N ALA A 17 10.111 3.963 7.329 1.00 0.00 N ATOM 249 CA ALA A 17 9.647 3.263 6.139 1.00 0.00 C ATOM 250 C ALA A 17 8.137 3.027 6.072 1.00 0.00 C ATOM 251 O ALA A 17 7.537 3.206 5.012 1.00 0.00 O ATOM 252 CB ALA A 17 10.416 1.952 5.957 1.00 0.00 C ATOM 0 H ALA A 17 10.666 3.391 7.966 1.00 0.00 H new ATOM 0 HA ALA A 17 9.858 3.936 5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.057 1.441 5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.480 2.166 5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.259 1.314 6.827 1.00 0.00 H new ATOM 258 N ILE A 18 7.515 2.635 7.169 1.00 0.00 N ATOM 259 CA ILE A 18 6.075 2.402 7.136 1.00 0.00 C ATOM 260 C ILE A 18 5.347 3.684 6.743 1.00 0.00 C ATOM 261 O ILE A 18 4.514 3.684 5.837 1.00 0.00 O ATOM 262 CB ILE A 18 5.593 1.905 8.505 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.115 0.469 8.746 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.058 1.940 8.572 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.164 -0.576 8.138 1.00 0.00 C ATOM 0 H ILE A 18 7.964 2.474 8.071 1.00 0.00 H new ATOM 0 HA ILE A 18 5.854 1.637 6.392 1.00 0.00 H new ATOM 0 HB ILE A 18 5.983 2.559 9.284 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.107 0.361 8.307 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.219 0.291 9.816 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.728 1.585 9.548 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.710 2.962 8.421 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.645 1.298 7.794 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.556 -1.576 8.323 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.179 -0.482 8.596 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.081 -0.411 7.064 1.00 0.00 H new ATOM 277 N ASP A 19 5.684 4.778 7.420 1.00 0.00 N ATOM 278 CA ASP A 19 5.059 6.054 7.108 1.00 0.00 C ATOM 279 C ASP A 19 5.353 6.413 5.663 1.00 0.00 C ATOM 280 O ASP A 19 4.480 6.914 4.954 1.00 0.00 O ATOM 281 CB ASP A 19 5.519 7.154 8.063 1.00 0.00 C ATOM 282 CG ASP A 19 4.936 6.901 9.448 1.00 0.00 C ATOM 283 OD1 ASP A 19 3.961 6.174 9.534 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.474 7.435 10.403 1.00 0.00 O ATOM 0 H ASP A 19 6.372 4.806 8.172 1.00 0.00 H new ATOM 0 HA ASP A 19 3.981 5.961 7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.608 7.175 8.113 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.198 8.128 7.694 1.00 0.00 H new ATOM 289 N ALA A 20 6.576 6.149 5.215 1.00 0.00 N ATOM 290 CA ALA A 20 6.924 6.454 3.840 1.00 0.00 C ATOM 291 C ALA A 20 6.088 5.600 2.884 1.00 0.00 C ATOM 292 O ALA A 20 5.624 6.079 1.849 1.00 0.00 O ATOM 293 CB ALA A 20 8.428 6.247 3.607 1.00 0.00 C ATOM 0 H ALA A 20 7.324 5.735 5.771 1.00 0.00 H new ATOM 0 HA ALA A 20 6.700 7.502 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.671 6.480 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.993 6.904 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.689 5.210 3.816 1.00 0.00 H new ATOM 299 N LEU A 21 5.899 4.332 3.246 1.00 0.00 N ATOM 300 CA LEU A 21 5.122 3.402 2.446 1.00 0.00 C ATOM 301 C LEU A 21 3.665 3.854 2.310 1.00 0.00 C ATOM 302 O LEU A 21 3.111 3.873 1.211 1.00 0.00 O ATOM 303 CB LEU A 21 5.213 2.015 3.107 1.00 0.00 C ATOM 304 CG LEU A 21 4.267 1.018 2.437 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.639 0.840 0.961 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.376 -0.335 3.146 1.00 0.00 C ATOM 0 H LEU A 21 6.281 3.927 4.100 1.00 0.00 H new ATOM 0 HA LEU A 21 5.527 3.363 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.237 1.646 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.968 2.097 4.166 1.00 0.00 H new ATOM 0 HG LEU A 21 3.248 1.398 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.957 0.127 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.565 1.799 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.660 0.466 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.703 -1.050 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.401 -0.700 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.102 -0.219 4.195 1.00 0.00 H new ATOM 318 N ALA A 22 3.049 4.202 3.445 1.00 0.00 N ATOM 319 CA ALA A 22 1.652 4.637 3.452 1.00 0.00 C ATOM 320 C ALA A 22 1.479 5.879 2.582 1.00 0.00 C ATOM 321 O ALA A 22 0.508 5.976 1.832 1.00 0.00 O ATOM 322 CB ALA A 22 1.188 4.936 4.880 1.00 0.00 C ATOM 0 H ALA A 22 3.493 4.191 4.363 1.00 0.00 H new ATOM 0 HA ALA A 22 1.042 3.830 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.147 5.258 4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.281 4.036 5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.806 5.727 5.305 1.00 0.00 H new ATOM 328 N GLY A 23 2.408 6.808 2.654 1.00 0.00 N ATOM 329 CA GLY A 23 2.329 8.013 1.837 1.00 0.00 C ATOM 330 C GLY A 23 2.466 7.683 0.360 1.00 0.00 C ATOM 331 O GLY A 23 1.720 8.218 -0.461 1.00 0.00 O ATOM 0 H GLY A 23 3.224 6.759 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.377 8.514 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.115 8.708 2.132 1.00 0.00 H new ATOM 335 N GLU A 24 3.396 6.811 0.002 1.00 0.00 N ATOM 336 CA GLU A 24 3.547 6.470 -1.405 1.00 0.00 C ATOM 337 C GLU A 24 2.303 5.751 -1.921 1.00 0.00 C ATOM 338 O GLU A 24 1.856 6.001 -3.041 1.00 0.00 O ATOM 339 CB GLU A 24 4.789 5.599 -1.621 1.00 0.00 C ATOM 340 CG GLU A 24 4.955 5.316 -3.117 1.00 0.00 C ATOM 341 CD GLU A 24 6.172 4.442 -3.332 1.00 0.00 C ATOM 342 OE1 GLU A 24 6.356 3.536 -2.540 1.00 0.00 O ATOM 343 OE2 GLU A 24 6.896 4.682 -4.284 1.00 0.00 O ATOM 0 H GLU A 24 4.038 6.340 0.640 1.00 0.00 H new ATOM 0 HA GLU A 24 3.671 7.396 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.674 6.105 -1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.691 4.663 -1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.065 4.821 -3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.064 6.252 -3.665 1.00 0.00 H new ATOM 350 N LEU A 25 1.752 4.851 -1.114 1.00 0.00 N ATOM 351 CA LEU A 25 0.572 4.106 -1.537 1.00 0.00 C ATOM 352 C LEU A 25 -0.647 5.005 -1.742 1.00 0.00 C ATOM 353 O LEU A 25 -1.390 4.833 -2.706 1.00 0.00 O ATOM 354 CB LEU A 25 0.238 2.989 -0.537 1.00 0.00 C ATOM 355 CG LEU A 25 1.283 1.857 -0.623 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.065 0.882 0.541 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.159 1.090 -1.962 1.00 0.00 C ATOM 0 H LEU A 25 2.095 4.622 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 25 0.818 3.662 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.214 3.394 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.755 2.592 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 25 2.279 2.297 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.800 0.079 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.177 1.413 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.062 0.460 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.906 0.297 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.163 0.654 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.320 1.778 -2.792 1.00 0.00 H new ATOM 369 N SER A 26 -0.862 5.955 -0.842 1.00 0.00 N ATOM 370 CA SER A 26 -2.012 6.847 -0.970 1.00 0.00 C ATOM 371 C SER A 26 -1.938 7.657 -2.260 1.00 0.00 C ATOM 372 O SER A 26 -2.933 7.781 -2.974 1.00 0.00 O ATOM 373 CB SER A 26 -2.076 7.797 0.226 1.00 0.00 C ATOM 374 OG SER A 26 -2.305 7.045 1.411 1.00 0.00 O ATOM 0 H SER A 26 -0.270 6.128 -0.030 1.00 0.00 H new ATOM 0 HA SER A 26 -2.912 6.233 -0.997 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.145 8.357 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.874 8.526 0.084 1.00 0.00 H new ATOM 0 HG SER A 26 -1.470 6.617 1.693 1.00 0.00 H new ATOM 380 N ARG A 27 -0.763 8.195 -2.571 1.00 0.00 N ATOM 381 CA ARG A 27 -0.616 8.966 -3.797 1.00 0.00 C ATOM 382 C ARG A 27 -0.949 8.066 -4.989 1.00 0.00 C ATOM 383 O ARG A 27 -1.608 8.496 -5.935 1.00 0.00 O ATOM 384 CB ARG A 27 0.813 9.515 -3.912 1.00 0.00 C ATOM 385 CG ARG A 27 1.032 10.610 -2.861 1.00 0.00 C ATOM 386 CD ARG A 27 2.465 11.143 -2.966 1.00 0.00 C ATOM 387 NE ARG A 27 2.694 12.193 -1.977 1.00 0.00 N ATOM 388 CZ ARG A 27 3.920 12.649 -1.728 1.00 0.00 C ATOM 389 NH1 ARG A 27 4.825 12.633 -2.668 1.00 0.00 N ATOM 390 NH2 ARG A 27 4.218 13.113 -0.544 1.00 0.00 N ATOM 0 H ARG A 27 0.082 8.114 -2.005 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.300 9.815 -3.784 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.535 8.711 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.979 9.918 -4.911 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.319 11.421 -3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.854 10.211 -1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.174 10.330 -2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.641 11.534 -3.968 1.00 0.00 H new ATOM 0 HE ARG A 27 1.901 12.584 -1.468 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.593 12.271 -3.593 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.764 12.982 -2.478 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.511 13.126 0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.158 13.462 -0.355 1.00 0.00 H new ATOM 404 N ARG A 28 -0.506 6.811 -4.925 1.00 0.00 N ATOM 405 CA ARG A 28 -0.782 5.849 -5.993 1.00 0.00 C ATOM 406 C ARG A 28 -2.285 5.590 -6.126 1.00 0.00 C ATOM 407 O ARG A 28 -2.816 5.490 -7.232 1.00 0.00 O ATOM 408 CB ARG A 28 -0.063 4.528 -5.689 1.00 0.00 C ATOM 409 CG ARG A 28 1.461 4.693 -5.842 1.00 0.00 C ATOM 410 CD ARG A 28 1.882 4.544 -7.311 1.00 0.00 C ATOM 411 NE ARG A 28 3.338 4.579 -7.417 1.00 0.00 N ATOM 412 CZ ARG A 28 3.946 4.555 -8.600 1.00 0.00 C ATOM 413 NH1 ARG A 28 3.518 5.319 -9.569 1.00 0.00 N ATOM 414 NH2 ARG A 28 4.974 3.772 -8.791 1.00 0.00 N ATOM 0 H ARG A 28 0.042 6.437 -4.150 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.419 6.266 -6.933 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.299 4.204 -4.675 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.420 3.750 -6.364 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.764 5.672 -5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.975 3.948 -5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.502 3.605 -7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.446 5.346 -7.906 1.00 0.00 H new ATOM 0 HE ARG A 28 3.900 4.623 -6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.718 5.934 -9.418 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.984 5.301 -10.476 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.311 3.179 -8.033 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.440 3.754 -9.698 1.00 0.00 H new ATOM 428 N ILE A 29 -2.956 5.476 -4.981 1.00 0.00 N ATOM 429 CA ILE A 29 -4.395 5.215 -4.957 1.00 0.00 C ATOM 430 C ILE A 29 -5.194 6.367 -5.566 1.00 0.00 C ATOM 431 O ILE A 29 -6.111 6.149 -6.357 1.00 0.00 O ATOM 432 CB ILE A 29 -4.857 4.979 -3.507 1.00 0.00 C ATOM 433 CG1 ILE A 29 -4.216 3.681 -2.949 1.00 0.00 C ATOM 434 CG2 ILE A 29 -6.392 4.879 -3.457 1.00 0.00 C ATOM 435 CD1 ILE A 29 -5.066 2.446 -3.288 1.00 0.00 C ATOM 0 H ILE A 29 -2.528 5.560 -4.059 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.579 4.325 -5.559 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.538 5.819 -2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.215 3.561 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.106 3.763 -1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.712 4.712 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.829 5.806 -3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.723 4.048 -4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.589 1.554 -2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.059 2.557 -2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.154 2.351 -4.370 1.00 0.00 H new ATOM 447 N GLN A 30 -4.846 7.586 -5.180 1.00 0.00 N ATOM 448 CA GLN A 30 -5.551 8.765 -5.685 1.00 0.00 C ATOM 449 C GLN A 30 -5.385 8.924 -7.193 1.00 0.00 C ATOM 450 O GLN A 30 -6.351 9.266 -7.876 1.00 0.00 O ATOM 451 CB GLN A 30 -5.082 10.047 -4.973 1.00 0.00 C ATOM 452 CG GLN A 30 -5.603 10.101 -3.526 1.00 0.00 C ATOM 453 CD GLN A 30 -4.930 11.251 -2.783 1.00 0.00 C ATOM 454 OE1 GLN A 30 -3.938 11.801 -3.260 1.00 0.00 O ATOM 455 NE2 GLN A 30 -5.418 11.654 -1.641 1.00 0.00 N ATOM 0 H GLN A 30 -4.089 7.788 -4.527 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.608 8.610 -5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.993 10.088 -4.972 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.434 10.921 -5.522 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.685 10.236 -3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.398 9.158 -3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.240 11.196 -1.248 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.977 12.427 -1.142 1.00 0.00 H new ATOM 464 N TYR A 31 -4.191 8.680 -7.740 1.00 0.00 N ATOM 465 CA TYR A 31 -4.007 8.818 -9.180 1.00 0.00 C ATOM 466 C TYR A 31 -4.845 7.779 -9.919 1.00 0.00 C ATOM 467 O TYR A 31 -5.429 8.070 -10.964 1.00 0.00 O ATOM 468 CB TYR A 31 -2.534 8.668 -9.575 1.00 0.00 C ATOM 469 CG TYR A 31 -2.409 8.773 -11.080 1.00 0.00 C ATOM 470 CD1 TYR A 31 -2.565 7.629 -11.874 1.00 0.00 C ATOM 471 CD2 TYR A 31 -2.141 10.010 -11.681 1.00 0.00 C ATOM 472 CE1 TYR A 31 -2.452 7.722 -13.268 1.00 0.00 C ATOM 473 CE2 TYR A 31 -2.027 10.101 -13.075 1.00 0.00 C ATOM 474 CZ TYR A 31 -2.184 8.959 -13.868 1.00 0.00 C ATOM 475 OH TYR A 31 -2.074 9.050 -15.241 1.00 0.00 O ATOM 0 H TYR A 31 -3.361 8.394 -7.221 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.335 9.819 -9.461 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.935 9.441 -9.094 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.149 7.708 -9.232 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.772 6.675 -11.412 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.022 10.893 -11.070 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.572 6.840 -13.879 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.818 11.054 -13.538 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.887 9.978 -15.493 1.00 0.00 H new ATOM 485 N ALA A 32 -4.893 6.569 -9.384 1.00 0.00 N ATOM 486 CA ALA A 32 -5.652 5.492 -10.011 1.00 0.00 C ATOM 487 C ALA A 32 -7.159 5.720 -9.911 1.00 0.00 C ATOM 488 O ALA A 32 -7.907 5.417 -10.842 1.00 0.00 O ATOM 489 CB ALA A 32 -5.296 4.169 -9.333 1.00 0.00 C ATOM 0 H ALA A 32 -4.418 6.306 -8.520 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.389 5.467 -11.068 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.860 3.359 -9.797 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.229 3.978 -9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.546 4.224 -8.273 1.00 0.00 H new ATOM 495 N PHE A 33 -7.597 6.241 -8.766 1.00 0.00 N ATOM 496 CA PHE A 33 -9.024 6.495 -8.526 1.00 0.00 C ATOM 497 C PHE A 33 -9.277 7.979 -8.243 1.00 0.00 C ATOM 498 O PHE A 33 -9.308 8.399 -7.086 1.00 0.00 O ATOM 499 CB PHE A 33 -9.488 5.664 -7.330 1.00 0.00 C ATOM 500 CG PHE A 33 -9.274 4.198 -7.632 1.00 0.00 C ATOM 501 CD1 PHE A 33 -10.284 3.456 -8.256 1.00 0.00 C ATOM 502 CD2 PHE A 33 -8.063 3.583 -7.293 1.00 0.00 C ATOM 503 CE1 PHE A 33 -10.084 2.100 -8.541 1.00 0.00 C ATOM 504 CE2 PHE A 33 -7.862 2.226 -7.578 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.873 1.485 -8.202 1.00 0.00 C ATOM 0 H PHE A 33 -6.988 6.497 -7.988 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.582 6.215 -9.419 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.932 5.949 -6.436 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.541 5.856 -7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.218 3.930 -8.518 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.283 4.155 -6.812 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.864 1.529 -9.022 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.928 1.752 -7.316 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.719 0.439 -8.422 1.00 0.00 H new ATOM 515 N PRO A 34 -9.461 8.775 -9.271 1.00 0.00 N ATOM 516 CA PRO A 34 -9.716 10.238 -9.119 1.00 0.00 C ATOM 517 C PRO A 34 -11.109 10.554 -8.568 1.00 0.00 C ATOM 518 O PRO A 34 -11.347 11.620 -8.000 1.00 0.00 O ATOM 519 CB PRO A 34 -9.571 10.811 -10.559 1.00 0.00 C ATOM 520 CG PRO A 34 -9.219 9.659 -11.465 1.00 0.00 C ATOM 521 CD PRO A 34 -9.443 8.363 -10.682 1.00 0.00 C ATOM 0 HA PRO A 34 -9.021 10.674 -8.401 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.499 11.283 -10.880 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.796 11.577 -10.592 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.838 9.675 -12.362 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.182 9.733 -11.792 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.381 7.886 -10.967 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.648 7.643 -10.874 1.00 0.00 H new ATOM 529 N ASP A 35 -12.034 9.627 -8.811 1.00 0.00 N ATOM 530 CA ASP A 35 -13.433 9.799 -8.416 1.00 0.00 C ATOM 531 C ASP A 35 -13.776 9.213 -7.042 1.00 0.00 C ATOM 532 O ASP A 35 -14.895 9.425 -6.573 1.00 0.00 O ATOM 533 CB ASP A 35 -14.320 9.126 -9.463 1.00 0.00 C ATOM 534 CG ASP A 35 -14.191 9.855 -10.797 1.00 0.00 C ATOM 535 OD1 ASP A 35 -13.743 10.989 -10.789 1.00 0.00 O ATOM 536 OD2 ASP A 35 -14.540 9.266 -11.807 1.00 0.00 O ATOM 0 H ASP A 35 -11.839 8.744 -9.282 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.606 10.873 -8.349 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.031 8.081 -9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.359 9.135 -9.133 1.00 0.00 H new ATOM 541 N ASN A 36 -12.876 8.452 -6.402 1.00 0.00 N ATOM 542 CA ASN A 36 -13.207 7.835 -5.097 1.00 0.00 C ATOM 543 C ASN A 36 -12.191 8.147 -4.008 1.00 0.00 C ATOM 544 O ASN A 36 -10.994 7.937 -4.209 1.00 0.00 O ATOM 545 CB ASN A 36 -13.234 6.314 -5.262 1.00 0.00 C ATOM 546 CG ASN A 36 -13.575 5.661 -3.924 1.00 0.00 C ATOM 547 OD1 ASN A 36 -12.682 5.184 -3.224 1.00 0.00 O ATOM 548 ND2 ASN A 36 -14.815 5.623 -3.519 1.00 0.00 N ATOM 0 H ASN A 36 -11.938 8.249 -6.749 1.00 0.00 H new ATOM 0 HA ASN A 36 -14.171 8.246 -4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.971 6.032 -6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.266 5.959 -5.616 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.045 5.198 -2.621 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.554 6.019 -4.100 1.00 0.00 H new ATOM 555 N GLU A 37 -12.638 8.587 -2.844 1.00 0.00 N ATOM 556 CA GLU A 37 -11.730 8.845 -1.740 1.00 0.00 C ATOM 557 C GLU A 37 -11.029 7.558 -1.294 1.00 0.00 C ATOM 558 O GLU A 37 -11.683 6.588 -0.912 1.00 0.00 O ATOM 559 CB GLU A 37 -12.601 9.323 -0.560 1.00 0.00 C ATOM 560 CG GLU A 37 -11.755 9.630 0.694 1.00 0.00 C ATOM 561 CD GLU A 37 -12.673 10.096 1.818 1.00 0.00 C ATOM 562 OE1 GLU A 37 -13.843 10.310 1.551 1.00 0.00 O ATOM 563 OE2 GLU A 37 -12.191 10.231 2.932 1.00 0.00 O ATOM 0 H GLU A 37 -13.620 8.772 -2.640 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.978 9.573 -2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.151 10.217 -0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.340 8.558 -0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.205 8.741 1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.016 10.399 0.469 1.00 0.00 H new ATOM 570 N GLY A 38 -9.701 7.571 -1.308 1.00 0.00 N ATOM 571 CA GLY A 38 -8.942 6.396 -0.856 1.00 0.00 C ATOM 572 C GLY A 38 -8.225 6.645 0.465 1.00 0.00 C ATOM 573 O GLY A 38 -7.436 7.587 0.543 1.00 0.00 O ATOM 0 H GLY A 38 -9.132 8.359 -1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.619 5.549 -0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.212 6.123 -1.618 1.00 0.00 H new ATOM 577 N HIS A 39 -8.447 5.817 1.498 1.00 0.00 N ATOM 578 CA HIS A 39 -7.747 6.012 2.779 1.00 0.00 C ATOM 579 C HIS A 39 -6.845 4.812 3.027 1.00 0.00 C ATOM 580 O HIS A 39 -7.314 3.674 2.993 1.00 0.00 O ATOM 581 CB HIS A 39 -8.754 6.134 3.922 1.00 0.00 C ATOM 582 CG HIS A 39 -8.011 6.297 5.220 1.00 0.00 C ATOM 583 ND1 HIS A 39 -7.117 7.333 5.433 1.00 0.00 N ATOM 584 CD2 HIS A 39 -8.013 5.557 6.377 1.00 0.00 C ATOM 585 CE1 HIS A 39 -6.621 7.191 6.676 1.00 0.00 C ATOM 586 NE2 HIS A 39 -7.133 6.124 7.295 1.00 0.00 N ATOM 0 H HIS A 39 -9.089 5.025 1.476 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.158 6.928 2.734 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.410 6.988 3.755 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.388 5.248 3.961 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.606 4.671 6.548 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.897 7.859 7.119 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.924 5.795 8.238 1.00 0.00 H new ATOM 594 N VAL A 40 -5.551 5.048 3.227 1.00 0.00 N ATOM 595 CA VAL A 40 -4.603 3.958 3.420 1.00 0.00 C ATOM 596 C VAL A 40 -4.020 3.965 4.825 1.00 0.00 C ATOM 597 O VAL A 40 -3.523 4.988 5.299 1.00 0.00 O ATOM 598 CB VAL A 40 -3.488 4.131 2.395 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.567 2.918 2.426 1.00 0.00 C ATOM 600 CG2 VAL A 40 -4.111 4.280 1.000 1.00 0.00 C ATOM 0 H VAL A 40 -5.138 5.980 3.259 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.114 3.004 3.289 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.905 5.021 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.772 3.046 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.131 2.818 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.139 2.021 2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.321 4.404 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.692 3.389 0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.763 5.153 0.984 1.00 0.00 H new ATOM 610 N SER A 41 -4.061 2.802 5.477 1.00 0.00 N ATOM 611 CA SER A 41 -3.506 2.658 6.827 1.00 0.00 C ATOM 612 C SER A 41 -2.507 1.511 6.855 1.00 0.00 C ATOM 613 O SER A 41 -2.732 0.463 6.253 1.00 0.00 O ATOM 614 CB SER A 41 -4.617 2.427 7.851 1.00 0.00 C ATOM 615 OG SER A 41 -4.036 2.195 9.128 1.00 0.00 O ATOM 0 H SER A 41 -4.470 1.949 5.096 1.00 0.00 H new ATOM 0 HA SER A 41 -2.992 3.582 7.093 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.277 3.293 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.228 1.574 7.556 1.00 0.00 H new ATOM 0 HG SER A 41 -4.745 2.048 9.788 1.00 0.00 H new ATOM 621 N VAL A 42 -1.408 1.716 7.576 1.00 0.00 N ATOM 622 CA VAL A 42 -0.377 0.684 7.699 1.00 0.00 C ATOM 623 C VAL A 42 -0.019 0.488 9.167 1.00 0.00 C ATOM 624 O VAL A 42 0.242 1.452 9.887 1.00 0.00 O ATOM 625 CB VAL A 42 0.859 1.059 6.883 1.00 0.00 C ATOM 626 CG1 VAL A 42 1.804 -0.142 6.798 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.430 1.477 5.474 1.00 0.00 C ATOM 0 H VAL A 42 -1.207 2.579 8.081 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.765 -0.255 7.304 1.00 0.00 H new ATOM 0 HB VAL A 42 1.376 1.888 7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.685 0.128 6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.110 -0.436 7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.292 -0.975 6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.311 1.745 4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.088 0.649 4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.239 2.335 5.537 1.00 0.00 H new ATOM 637 N ARG A 43 -0.022 -0.770 9.609 1.00 0.00 N ATOM 638 CA ARG A 43 0.292 -1.086 11.003 1.00 0.00 C ATOM 639 C ARG A 43 0.935 -2.465 11.119 1.00 0.00 C ATOM 640 O ARG A 43 0.799 -3.293 10.226 1.00 0.00 O ATOM 641 CB ARG A 43 -0.987 -1.032 11.844 1.00 0.00 C ATOM 642 CG ARG A 43 -1.997 -2.051 11.310 1.00 0.00 C ATOM 643 CD ARG A 43 -3.294 -1.963 12.116 1.00 0.00 C ATOM 644 NE ARG A 43 -4.205 -3.030 11.717 1.00 0.00 N ATOM 645 CZ ARG A 43 -5.271 -3.339 12.451 1.00 0.00 C ATOM 646 NH1 ARG A 43 -6.127 -2.413 12.785 1.00 0.00 N ATOM 647 NH2 ARG A 43 -5.463 -4.572 12.837 1.00 0.00 N ATOM 0 H ARG A 43 -0.236 -1.580 9.028 1.00 0.00 H new ATOM 0 HA ARG A 43 1.003 -0.348 11.374 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.757 -1.246 12.888 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.414 -0.030 11.810 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.199 -1.859 10.256 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.583 -3.057 11.377 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.075 -2.040 13.181 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.765 -0.993 11.957 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.021 -3.549 10.859 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.980 -1.450 12.483 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.943 -2.652 13.348 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.796 -5.298 12.576 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.280 -4.809 13.400 1.00 0.00 H new ATOM 661 N TYR A 44 1.616 -2.717 12.232 1.00 0.00 N ATOM 662 CA TYR A 44 2.242 -4.021 12.439 1.00 0.00 C ATOM 663 C TYR A 44 1.208 -4.997 12.993 1.00 0.00 C ATOM 664 O TYR A 44 0.379 -4.633 13.828 1.00 0.00 O ATOM 665 CB TYR A 44 3.413 -3.949 13.417 1.00 0.00 C ATOM 666 CG TYR A 44 4.540 -3.123 12.856 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.539 -3.744 12.102 1.00 0.00 C ATOM 668 CD2 TYR A 44 4.595 -1.747 13.097 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.599 -2.989 11.587 1.00 0.00 C ATOM 670 CE2 TYR A 44 5.655 -0.990 12.590 1.00 0.00 C ATOM 671 CZ TYR A 44 6.660 -1.611 11.833 1.00 0.00 C ATOM 672 OH TYR A 44 7.709 -0.868 11.332 1.00 0.00 O ATOM 0 H TYR A 44 1.748 -2.050 12.993 1.00 0.00 H new ATOM 0 HA TYR A 44 2.622 -4.357 11.474 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.077 -3.518 14.360 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.770 -4.955 13.636 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.493 -4.807 11.917 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.818 -1.269 13.675 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.369 -3.468 11.001 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.700 0.072 12.781 1.00 0.00 H new ATOM 0 HH TYR A 44 7.599 0.070 11.593 1.00 0.00 H new ATOM 682 N ALA A 45 1.271 -6.246 12.526 1.00 0.00 N ATOM 683 CA ALA A 45 0.354 -7.295 12.971 1.00 0.00 C ATOM 684 C ALA A 45 1.122 -8.607 13.080 1.00 0.00 C ATOM 685 O ALA A 45 2.246 -8.709 12.588 1.00 0.00 O ATOM 686 CB ALA A 45 -0.800 -7.452 11.980 1.00 0.00 C ATOM 0 H ALA A 45 1.954 -6.556 11.834 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.061 -7.024 13.942 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.473 -8.237 12.326 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.347 -6.512 11.906 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.404 -7.720 11.000 1.00 0.00 H new ATOM 692 N ALA A 46 0.534 -9.607 13.726 1.00 0.00 N ATOM 693 CA ALA A 46 1.224 -10.883 13.874 1.00 0.00 C ATOM 694 C ALA A 46 1.558 -11.468 12.502 1.00 0.00 C ATOM 695 O ALA A 46 2.497 -12.256 12.381 1.00 0.00 O ATOM 696 CB ALA A 46 0.388 -11.869 14.696 1.00 0.00 C ATOM 0 H ALA A 46 -0.395 -9.563 14.146 1.00 0.00 H new ATOM 0 HA ALA A 46 2.155 -10.707 14.412 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.926 -12.812 14.791 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.206 -11.454 15.687 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.565 -12.044 14.196 1.00 0.00 H new ATOM 702 N ALA A 47 0.784 -11.112 11.468 1.00 0.00 N ATOM 703 CA ALA A 47 1.028 -11.657 10.124 1.00 0.00 C ATOM 704 C ALA A 47 0.851 -10.609 9.022 1.00 0.00 C ATOM 705 O ALA A 47 0.042 -9.690 9.151 1.00 0.00 O ATOM 706 CB ALA A 47 0.086 -12.834 9.862 1.00 0.00 C ATOM 0 H ALA A 47 -0.000 -10.463 11.531 1.00 0.00 H new ATOM 0 HA ALA A 47 2.066 -11.988 10.098 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.271 -13.233 8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.262 -13.613 10.604 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.948 -12.495 9.931 1.00 0.00 H new ATOM 712 N ASN A 48 1.574 -10.791 7.917 1.00 0.00 N ATOM 713 CA ASN A 48 1.453 -9.897 6.765 1.00 0.00 C ATOM 714 C ASN A 48 0.098 -10.139 6.095 1.00 0.00 C ATOM 715 O ASN A 48 -0.257 -11.284 5.815 1.00 0.00 O ATOM 716 CB ASN A 48 2.584 -10.190 5.775 1.00 0.00 C ATOM 717 CG ASN A 48 2.393 -11.569 5.150 1.00 0.00 C ATOM 718 OD1 ASN A 48 1.801 -12.455 5.766 1.00 0.00 O ATOM 719 ND2 ASN A 48 2.870 -11.806 3.959 1.00 0.00 N ATOM 0 H ASN A 48 2.248 -11.547 7.795 1.00 0.00 H new ATOM 0 HA ASN A 48 1.522 -8.858 7.086 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.601 -9.428 4.995 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.546 -10.144 6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.753 -12.727 3.537 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.360 -11.070 3.450 1.00 0.00 H new ATOM 726 N ASN A 49 -0.663 -9.073 5.836 1.00 0.00 N ATOM 727 CA ASN A 49 -1.973 -9.213 5.196 1.00 0.00 C ATOM 728 C ASN A 49 -2.347 -7.937 4.433 1.00 0.00 C ATOM 729 O ASN A 49 -1.960 -6.836 4.825 1.00 0.00 O ATOM 730 CB ASN A 49 -3.037 -9.491 6.262 1.00 0.00 C ATOM 731 CG ASN A 49 -4.408 -9.657 5.612 1.00 0.00 C ATOM 732 OD1 ASN A 49 -5.213 -8.726 5.609 1.00 0.00 O ATOM 733 ND2 ASN A 49 -4.729 -10.800 5.068 1.00 0.00 N ATOM 0 H ASN A 49 -0.398 -8.113 6.057 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.924 -10.042 4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.779 -10.393 6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.064 -8.672 6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.647 -10.921 4.640 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.062 -11.571 5.071 1.00 0.00 H new ATOM 740 N LEU A 50 -3.129 -8.093 3.359 1.00 0.00 N ATOM 741 CA LEU A 50 -3.597 -6.955 2.552 1.00 0.00 C ATOM 742 C LEU A 50 -5.119 -7.052 2.482 1.00 0.00 C ATOM 743 O LEU A 50 -5.648 -8.072 2.042 1.00 0.00 O ATOM 744 CB LEU A 50 -3.015 -7.035 1.132 1.00 0.00 C ATOM 745 CG LEU A 50 -3.293 -5.720 0.363 1.00 0.00 C ATOM 746 CD1 LEU A 50 -2.194 -4.686 0.659 1.00 0.00 C ATOM 747 CD2 LEU A 50 -3.338 -5.983 -1.151 1.00 0.00 C ATOM 0 H LEU A 50 -3.454 -9.000 3.025 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.279 -6.013 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.941 -7.215 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.456 -7.877 0.598 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.257 -5.332 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.402 -3.767 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.172 -4.475 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.228 -5.083 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.534 -5.049 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.381 -6.389 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.131 -6.698 -1.373 1.00 0.00 H new ATOM 759 N SER A 51 -5.829 -6.003 2.903 1.00 0.00 N ATOM 760 CA SER A 51 -7.298 -6.012 2.862 1.00 0.00 C ATOM 761 C SER A 51 -7.828 -4.815 2.068 1.00 0.00 C ATOM 762 O SER A 51 -7.452 -3.675 2.339 1.00 0.00 O ATOM 763 CB SER A 51 -7.833 -5.931 4.291 1.00 0.00 C ATOM 764 OG SER A 51 -9.252 -5.923 4.262 1.00 0.00 O ATOM 0 H SER A 51 -5.419 -5.145 3.272 1.00 0.00 H new ATOM 0 HA SER A 51 -7.629 -6.930 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.475 -6.779 4.874 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.463 -5.030 4.779 1.00 0.00 H new ATOM 0 HG SER A 51 -9.598 -5.873 5.178 1.00 0.00 H new ATOM 770 N VAL A 52 -8.735 -5.071 1.116 1.00 0.00 N ATOM 771 CA VAL A 52 -9.351 -3.998 0.324 1.00 0.00 C ATOM 772 C VAL A 52 -10.869 -4.070 0.483 1.00 0.00 C ATOM 773 O VAL A 52 -11.469 -5.118 0.241 1.00 0.00 O ATOM 774 CB VAL A 52 -8.984 -4.128 -1.159 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.652 -3.001 -1.953 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.466 -4.019 -1.323 1.00 0.00 C ATOM 0 H VAL A 52 -9.058 -6.008 0.876 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.979 -3.039 0.684 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.327 -5.094 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.391 -3.094 -3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.734 -3.068 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.307 -2.038 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.206 -4.112 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.128 -3.052 -0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.981 -4.815 -0.759 1.00 0.00 H new ATOM 786 N ILE A 53 -11.488 -2.962 0.891 1.00 0.00 N ATOM 787 CA ILE A 53 -12.945 -2.922 1.082 1.00 0.00 C ATOM 788 C ILE A 53 -13.588 -1.868 0.177 1.00 0.00 C ATOM 789 O ILE A 53 -13.174 -0.709 0.178 1.00 0.00 O ATOM 790 CB ILE A 53 -13.247 -2.585 2.549 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.630 -3.658 3.487 1.00 0.00 C ATOM 792 CG2 ILE A 53 -14.765 -2.493 2.756 1.00 0.00 C ATOM 793 CD1 ILE A 53 -13.605 -4.820 3.745 1.00 0.00 C ATOM 0 H ILE A 53 -11.011 -2.084 1.095 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.359 -3.896 0.823 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.800 -1.622 2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.713 -4.045 3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.355 -3.197 4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.976 -2.254 3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.173 -1.712 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.225 -3.448 2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -13.136 -5.549 4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.512 -4.437 4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.859 -5.298 2.799 1.00 0.00 H new ATOM 805 N GLY A 54 -14.619 -2.266 -0.580 1.00 0.00 N ATOM 806 CA GLY A 54 -15.320 -1.322 -1.461 1.00 0.00 C ATOM 807 C GLY A 54 -14.765 -1.332 -2.884 1.00 0.00 C ATOM 808 O GLY A 54 -14.988 -0.382 -3.635 1.00 0.00 O ATOM 0 H GLY A 54 -14.982 -3.219 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.381 -1.572 -1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.239 -0.316 -1.049 1.00 0.00 H new ATOM 812 N ALA A 55 -14.029 -2.384 -3.256 1.00 0.00 N ATOM 813 CA ALA A 55 -13.437 -2.456 -4.602 1.00 0.00 C ATOM 814 C ALA A 55 -13.850 -3.724 -5.343 1.00 0.00 C ATOM 815 O ALA A 55 -14.269 -4.717 -4.748 1.00 0.00 O ATOM 816 CB ALA A 55 -11.913 -2.401 -4.496 1.00 0.00 C ATOM 0 H ALA A 55 -13.829 -3.186 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.807 -1.603 -5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.477 -2.454 -5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.615 -1.467 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.559 -3.242 -3.900 1.00 0.00 H new ATOM 822 N THR A 56 -13.668 -3.667 -6.662 1.00 0.00 N ATOM 823 CA THR A 56 -13.939 -4.767 -7.578 1.00 0.00 C ATOM 824 C THR A 56 -12.696 -5.632 -7.724 1.00 0.00 C ATOM 825 O THR A 56 -11.581 -5.191 -7.447 1.00 0.00 O ATOM 826 CB THR A 56 -14.284 -4.192 -8.956 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.256 -3.302 -9.366 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.615 -3.442 -8.888 1.00 0.00 C ATOM 0 H THR A 56 -13.319 -2.832 -7.132 1.00 0.00 H new ATOM 0 HA THR A 56 -14.765 -5.363 -7.189 1.00 0.00 H new ATOM 0 HB THR A 56 -14.370 -5.007 -9.675 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.507 -2.383 -9.134 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.854 -3.036 -9.871 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.403 -4.127 -8.577 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.537 -2.627 -8.168 1.00 0.00 H new ATOM 836 N LYS A 57 -12.907 -6.883 -8.126 1.00 0.00 N ATOM 837 CA LYS A 57 -11.809 -7.829 -8.269 1.00 0.00 C ATOM 838 C LYS A 57 -10.739 -7.316 -9.229 1.00 0.00 C ATOM 839 O LYS A 57 -9.548 -7.480 -8.961 1.00 0.00 O ATOM 840 CB LYS A 57 -12.335 -9.183 -8.779 1.00 0.00 C ATOM 841 CG LYS A 57 -13.363 -9.787 -7.803 1.00 0.00 C ATOM 842 CD LYS A 57 -13.851 -11.126 -8.355 1.00 0.00 C ATOM 843 CE LYS A 57 -14.834 -11.753 -7.367 1.00 0.00 C ATOM 844 NZ LYS A 57 -14.166 -11.911 -6.043 1.00 0.00 N ATOM 0 H LYS A 57 -13.825 -7.262 -8.357 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.358 -7.950 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.794 -9.052 -9.759 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.502 -9.874 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.911 -9.927 -6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.203 -9.105 -7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.333 -10.980 -9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.006 -11.795 -8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.719 -11.125 -7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.170 -12.722 -7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.657 -12.644 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.174 -12.191 -6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.200 -11.009 -5.527 1.00 0.00 H new ATOM 858 N GLU A 58 -11.133 -6.684 -10.333 1.00 0.00 N ATOM 859 CA GLU A 58 -10.149 -6.154 -11.274 1.00 0.00 C ATOM 860 C GLU A 58 -9.364 -5.016 -10.640 1.00 0.00 C ATOM 861 O GLU A 58 -8.156 -4.898 -10.840 1.00 0.00 O ATOM 862 CB GLU A 58 -10.838 -5.639 -12.542 1.00 0.00 C ATOM 863 CG GLU A 58 -11.502 -6.797 -13.296 1.00 0.00 C ATOM 864 CD GLU A 58 -12.842 -7.152 -12.655 1.00 0.00 C ATOM 865 OE1 GLU A 58 -13.201 -6.511 -11.681 1.00 0.00 O ATOM 866 OE2 GLU A 58 -13.492 -8.056 -13.154 1.00 0.00 O ATOM 0 H GLU A 58 -12.107 -6.528 -10.595 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.468 -6.964 -11.536 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.586 -4.891 -12.279 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.109 -5.148 -13.186 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.653 -6.521 -14.340 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.846 -7.668 -13.288 1.00 0.00 H new ATOM 873 N ASP A 59 -10.054 -4.184 -9.848 1.00 0.00 N ATOM 874 CA ASP A 59 -9.393 -3.079 -9.175 1.00 0.00 C ATOM 875 C ASP A 59 -8.364 -3.649 -8.211 1.00 0.00 C ATOM 876 O ASP A 59 -7.236 -3.167 -8.115 1.00 0.00 O ATOM 877 CB ASP A 59 -10.413 -2.234 -8.405 1.00 0.00 C ATOM 878 CG ASP A 59 -11.302 -1.472 -9.382 1.00 0.00 C ATOM 879 OD1 ASP A 59 -10.913 -1.346 -10.532 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.356 -1.023 -8.965 1.00 0.00 O ATOM 0 H ASP A 59 -11.055 -4.260 -9.665 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.907 -2.440 -9.912 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.023 -2.876 -7.769 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.896 -1.534 -7.749 1.00 0.00 H new ATOM 885 N LYS A 60 -8.786 -4.689 -7.504 1.00 0.00 N ATOM 886 CA LYS A 60 -7.919 -5.348 -6.539 1.00 0.00 C ATOM 887 C LYS A 60 -6.692 -5.955 -7.219 1.00 0.00 C ATOM 888 O LYS A 60 -5.587 -5.841 -6.691 1.00 0.00 O ATOM 889 CB LYS A 60 -8.687 -6.412 -5.744 1.00 0.00 C ATOM 890 CG LYS A 60 -7.764 -7.056 -4.702 1.00 0.00 C ATOM 891 CD LYS A 60 -8.535 -8.116 -3.912 1.00 0.00 C ATOM 892 CE LYS A 60 -7.573 -8.841 -2.970 1.00 0.00 C ATOM 893 NZ LYS A 60 -8.343 -9.723 -2.048 1.00 0.00 N ATOM 0 H LYS A 60 -9.720 -5.092 -7.581 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.570 -4.590 -5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.546 -5.959 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.074 -7.174 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.905 -7.510 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.377 -6.294 -4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.338 -7.649 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.000 -8.828 -4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.862 -9.433 -3.546 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.994 -8.116 -2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.686 -10.215 -1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.005 -9.147 -1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.876 -10.423 -2.602 1.00 0.00 H new ATOM 907 N GLN A 61 -6.850 -6.571 -8.389 1.00 0.00 N ATOM 908 CA GLN A 61 -5.688 -7.129 -9.076 1.00 0.00 C ATOM 909 C GLN A 61 -4.751 -5.986 -9.441 1.00 0.00 C ATOM 910 O GLN A 61 -3.535 -6.101 -9.278 1.00 0.00 O ATOM 911 CB GLN A 61 -6.129 -7.889 -10.328 1.00 0.00 C ATOM 912 CG GLN A 61 -4.909 -8.504 -11.014 1.00 0.00 C ATOM 913 CD GLN A 61 -5.357 -9.463 -12.114 1.00 0.00 C ATOM 914 OE1 GLN A 61 -6.540 -9.784 -12.215 1.00 0.00 O ATOM 915 NE2 GLN A 61 -4.474 -9.941 -12.948 1.00 0.00 N ATOM 0 H GLN A 61 -7.742 -6.694 -8.869 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.170 -7.833 -8.425 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.840 -8.671 -10.059 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.642 -7.214 -11.013 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.285 -7.717 -11.438 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.300 -9.035 -10.283 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.494 -9.673 -12.862 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.764 -10.583 -13.686 1.00 0.00 H new ATOM 924 N ARG A 62 -5.313 -4.880 -9.944 1.00 0.00 N ATOM 925 CA ARG A 62 -4.494 -3.740 -10.330 1.00 0.00 C ATOM 926 C ARG A 62 -3.726 -3.229 -9.114 1.00 0.00 C ATOM 927 O ARG A 62 -2.529 -2.954 -9.196 1.00 0.00 O ATOM 928 CB ARG A 62 -5.377 -2.639 -10.933 1.00 0.00 C ATOM 929 CG ARG A 62 -4.547 -1.410 -11.333 1.00 0.00 C ATOM 930 CD ARG A 62 -3.542 -1.757 -12.437 1.00 0.00 C ATOM 931 NE ARG A 62 -3.031 -0.531 -13.041 1.00 0.00 N ATOM 932 CZ ARG A 62 -2.162 -0.563 -14.045 1.00 0.00 C ATOM 933 NH1 ARG A 62 -1.037 -1.211 -13.913 1.00 0.00 N ATOM 934 NH2 ARG A 62 -2.432 0.057 -15.162 1.00 0.00 N ATOM 0 H ARG A 62 -6.315 -4.757 -10.089 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.774 -4.045 -11.089 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.899 -3.028 -11.807 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.139 -2.346 -10.211 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.210 -0.616 -11.677 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.016 -1.027 -10.462 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.719 -2.340 -12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.021 -2.376 -13.196 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.348 0.370 -12.684 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.825 -1.693 -13.039 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.369 -1.236 -14.684 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.310 0.566 -15.263 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.765 0.033 -15.933 1.00 0.00 H new ATOM 948 N ILE A 63 -4.414 -3.114 -7.987 1.00 0.00 N ATOM 949 CA ILE A 63 -3.765 -2.645 -6.767 1.00 0.00 C ATOM 950 C ILE A 63 -2.619 -3.572 -6.362 1.00 0.00 C ATOM 951 O ILE A 63 -1.533 -3.101 -6.022 1.00 0.00 O ATOM 952 CB ILE A 63 -4.782 -2.476 -5.638 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.675 -1.267 -5.938 1.00 0.00 C ATOM 954 CG2 ILE A 63 -4.068 -2.271 -4.297 1.00 0.00 C ATOM 955 CD1 ILE A 63 -6.876 -1.270 -4.990 1.00 0.00 C ATOM 0 H ILE A 63 -5.405 -3.334 -7.890 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.333 -1.665 -6.968 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.391 -3.378 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.107 -0.344 -5.819 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.015 -1.301 -6.973 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.808 -2.153 -3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.442 -3.137 -4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.446 -1.377 -4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.511 -0.410 -5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.448 -2.187 -5.131 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.526 -1.215 -3.959 1.00 0.00 H new ATOM 967 N SER A 64 -2.833 -4.874 -6.434 1.00 0.00 N ATOM 968 CA SER A 64 -1.758 -5.801 -6.104 1.00 0.00 C ATOM 969 C SER A 64 -0.596 -5.535 -7.059 1.00 0.00 C ATOM 970 O SER A 64 0.549 -5.477 -6.621 1.00 0.00 O ATOM 971 CB SER A 64 -2.239 -7.245 -6.253 1.00 0.00 C ATOM 972 OG SER A 64 -1.205 -8.130 -5.846 1.00 0.00 O ATOM 0 H SER A 64 -3.714 -5.307 -6.710 1.00 0.00 H new ATOM 0 HA SER A 64 -1.441 -5.655 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.131 -7.407 -5.648 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.516 -7.443 -7.289 1.00 0.00 H new ATOM 0 HG SER A 64 -1.512 -9.056 -5.939 1.00 0.00 H new ATOM 978 N GLU A 65 -0.865 -5.376 -8.368 1.00 0.00 N ATOM 979 CA GLU A 65 0.216 -5.131 -9.324 1.00 0.00 C ATOM 980 C GLU A 65 0.961 -3.841 -8.958 1.00 0.00 C ATOM 981 O GLU A 65 2.191 -3.804 -8.994 1.00 0.00 O ATOM 982 CB GLU A 65 -0.332 -5.066 -10.749 1.00 0.00 C ATOM 983 CG GLU A 65 -0.794 -6.466 -11.164 1.00 0.00 C ATOM 984 CD GLU A 65 -1.371 -6.435 -12.575 1.00 0.00 C ATOM 985 OE1 GLU A 65 -1.490 -5.351 -13.122 1.00 0.00 O ATOM 986 OE2 GLU A 65 -1.696 -7.496 -13.083 1.00 0.00 O ATOM 0 H GLU A 65 -1.800 -5.412 -8.775 1.00 0.00 H new ATOM 0 HA GLU A 65 0.923 -5.959 -9.277 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.163 -4.363 -10.802 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.436 -4.704 -11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.045 -7.161 -11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.546 -6.831 -10.464 1.00 0.00 H new ATOM 993 N ILE A 66 0.225 -2.791 -8.597 1.00 0.00 N ATOM 994 CA ILE A 66 0.859 -1.523 -8.221 1.00 0.00 C ATOM 995 C ILE A 66 1.778 -1.720 -7.021 1.00 0.00 C ATOM 996 O ILE A 66 2.910 -1.235 -7.004 1.00 0.00 O ATOM 997 CB ILE A 66 -0.207 -0.466 -7.893 1.00 0.00 C ATOM 998 CG1 ILE A 66 -0.948 -0.083 -9.177 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.464 0.786 -7.305 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.141 0.814 -8.837 1.00 0.00 C ATOM 0 H ILE A 66 -0.794 -2.789 -8.556 1.00 0.00 H new ATOM 0 HA ILE A 66 1.453 -1.176 -9.066 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.909 -0.875 -7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.273 0.436 -9.857 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.291 -0.980 -9.692 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.296 1.532 -7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.998 0.518 -6.393 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.167 1.197 -8.030 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.666 1.084 -9.753 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.821 0.279 -8.174 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.787 1.718 -8.341 1.00 0.00 H new ATOM 1012 N LEU A 67 1.282 -2.434 -6.024 1.00 0.00 N ATOM 1013 CA LEU A 67 2.069 -2.680 -4.838 1.00 0.00 C ATOM 1014 C LEU A 67 3.335 -3.417 -5.237 1.00 0.00 C ATOM 1015 O LEU A 67 4.422 -3.111 -4.748 1.00 0.00 O ATOM 1016 CB LEU A 67 1.255 -3.518 -3.831 1.00 0.00 C ATOM 1017 CG LEU A 67 2.156 -4.149 -2.743 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.808 -3.061 -1.877 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.293 -5.050 -1.855 1.00 0.00 C ATOM 0 H LEU A 67 0.349 -2.847 -6.016 1.00 0.00 H new ATOM 0 HA LEU A 67 2.332 -1.735 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.503 -2.887 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.721 -4.306 -4.362 1.00 0.00 H new ATOM 0 HG LEU A 67 2.945 -4.726 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.437 -3.528 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.418 -2.413 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.032 -2.469 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.915 -5.502 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.508 -4.456 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.841 -5.834 -2.462 1.00 0.00 H new ATOM 1031 N GLN A 68 3.196 -4.371 -6.144 1.00 0.00 N ATOM 1032 CA GLN A 68 4.354 -5.109 -6.605 1.00 0.00 C ATOM 1033 C GLN A 68 5.348 -4.160 -7.279 1.00 0.00 C ATOM 1034 O GLN A 68 6.530 -4.159 -6.937 1.00 0.00 O ATOM 1035 CB GLN A 68 3.945 -6.216 -7.575 1.00 0.00 C ATOM 1036 CG GLN A 68 3.174 -7.297 -6.816 1.00 0.00 C ATOM 1037 CD GLN A 68 4.107 -8.048 -5.875 1.00 0.00 C ATOM 1038 OE1 GLN A 68 5.321 -8.058 -6.079 1.00 0.00 O ATOM 1039 NE2 GLN A 68 3.607 -8.679 -4.850 1.00 0.00 N ATOM 0 H GLN A 68 2.310 -4.647 -6.567 1.00 0.00 H new ATOM 0 HA GLN A 68 4.831 -5.571 -5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.327 -5.805 -8.373 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.829 -6.647 -8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.362 -6.843 -6.248 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.720 -7.993 -7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.600 -8.668 -4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.222 -9.184 -4.212 1.00 0.00 H new ATOM 1048 N GLU A 69 4.886 -3.362 -8.244 1.00 0.00 N ATOM 1049 CA GLU A 69 5.782 -2.443 -8.948 1.00 0.00 C ATOM 1050 C GLU A 69 6.443 -1.431 -8.014 1.00 0.00 C ATOM 1051 O GLU A 69 7.648 -1.195 -8.108 1.00 0.00 O ATOM 1052 CB GLU A 69 5.020 -1.701 -10.047 1.00 0.00 C ATOM 1053 CG GLU A 69 4.589 -2.695 -11.126 1.00 0.00 C ATOM 1054 CD GLU A 69 3.828 -1.969 -12.230 1.00 0.00 C ATOM 1055 OE1 GLU A 69 3.354 -0.875 -11.973 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.731 -2.518 -13.315 1.00 0.00 O ATOM 0 H GLU A 69 3.914 -3.333 -8.552 1.00 0.00 H new ATOM 0 HA GLU A 69 6.574 -3.051 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.147 -1.203 -9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.651 -0.926 -10.482 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.464 -3.193 -11.543 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.960 -3.470 -10.688 1.00 0.00 H new ATOM 1063 N THR A 70 5.673 -0.838 -7.109 1.00 0.00 N ATOM 1064 CA THR A 70 6.232 0.133 -6.173 1.00 0.00 C ATOM 1065 C THR A 70 7.309 -0.524 -5.339 1.00 0.00 C ATOM 1066 O THR A 70 8.414 -0.005 -5.174 1.00 0.00 O ATOM 1067 CB THR A 70 5.126 0.663 -5.273 1.00 0.00 C ATOM 1068 OG1 THR A 70 4.132 1.297 -6.064 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.705 1.659 -4.275 1.00 0.00 C ATOM 0 H THR A 70 4.673 -1.008 -7.003 1.00 0.00 H new ATOM 0 HA THR A 70 6.671 0.962 -6.727 1.00 0.00 H new ATOM 0 HB THR A 70 4.677 -0.167 -4.728 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.576 0.617 -6.498 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.909 2.035 -3.633 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.460 1.165 -3.664 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.161 2.490 -4.813 1.00 0.00 H new ATOM 1077 N TRP A 71 6.947 -1.682 -4.813 1.00 0.00 N ATOM 1078 CA TRP A 71 7.829 -2.468 -3.977 1.00 0.00 C ATOM 1079 C TRP A 71 9.107 -2.790 -4.744 1.00 0.00 C ATOM 1080 O TRP A 71 10.197 -2.760 -4.172 1.00 0.00 O ATOM 1081 CB TRP A 71 7.032 -3.702 -3.540 1.00 0.00 C ATOM 1082 CG TRP A 71 7.864 -4.688 -2.781 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.987 -5.993 -3.112 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.645 -4.503 -1.555 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.817 -6.613 -2.197 1.00 0.00 N ATOM 1086 CE2 TRP A 71 9.246 -5.740 -1.219 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.900 -3.396 -0.717 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 10.066 -5.877 -0.098 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.723 -3.535 0.413 1.00 0.00 C ATOM 1090 CH2 TRP A 71 10.305 -4.771 0.721 1.00 0.00 C ATOM 0 H TRP A 71 6.029 -2.102 -4.956 1.00 0.00 H new ATOM 0 HA TRP A 71 8.156 -1.936 -3.083 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.193 -3.387 -2.919 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.612 -4.189 -4.420 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.513 -6.474 -3.955 1.00 0.00 H new ATOM 0 HE1 TRP A 71 9.081 -7.597 -2.240 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.460 -2.437 -0.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.513 -6.832 0.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.908 -2.682 1.049 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.938 -4.869 1.591 1.00 0.00 H new ATOM 1101 N GLU A 72 8.990 -3.100 -6.025 1.00 0.00 N ATOM 1102 CA GLU A 72 10.155 -3.431 -6.854 1.00 0.00 C ATOM 1103 C GLU A 72 10.979 -2.195 -7.225 1.00 0.00 C ATOM 1104 O GLU A 72 12.122 -2.341 -7.659 1.00 0.00 O ATOM 1105 CB GLU A 72 9.708 -4.171 -8.117 1.00 0.00 C ATOM 1106 CG GLU A 72 9.247 -5.584 -7.747 1.00 0.00 C ATOM 1107 CD GLU A 72 8.785 -6.327 -8.995 1.00 0.00 C ATOM 1108 OE1 GLU A 72 8.578 -5.677 -10.006 1.00 0.00 O ATOM 1109 OE2 GLU A 72 8.643 -7.537 -8.922 1.00 0.00 O ATOM 0 H GLU A 72 8.100 -3.131 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 72 10.801 -4.079 -6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.897 -3.628 -8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.529 -4.221 -8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.063 -6.128 -7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.434 -5.532 -7.023 1.00 0.00 H new ATOM 1116 N SER A 73 10.423 -0.983 -7.085 1.00 0.00 N ATOM 1117 CA SER A 73 11.174 0.233 -7.452 1.00 0.00 C ATOM 1118 C SER A 73 11.591 1.022 -6.212 1.00 0.00 C ATOM 1119 O SER A 73 11.769 2.238 -6.265 1.00 0.00 O ATOM 1120 CB SER A 73 10.322 1.108 -8.373 1.00 0.00 C ATOM 1121 OG SER A 73 10.251 0.496 -9.655 1.00 0.00 O ATOM 0 H SER A 73 9.481 -0.816 -6.730 1.00 0.00 H new ATOM 0 HA SER A 73 12.081 -0.069 -7.976 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.322 1.230 -7.958 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.757 2.104 -8.455 1.00 0.00 H new ATOM 0 HG SER A 73 9.705 1.049 -10.252 1.00 0.00 H new ATOM 1127 N ALA A 74 11.678 0.324 -5.082 1.00 0.00 N ATOM 1128 CA ALA A 74 11.995 0.928 -3.789 1.00 0.00 C ATOM 1129 C ALA A 74 13.255 1.798 -3.738 1.00 0.00 C ATOM 1130 O ALA A 74 13.302 2.771 -2.998 1.00 0.00 O ATOM 1131 CB ALA A 74 12.148 -0.193 -2.760 1.00 0.00 C ATOM 0 H ALA A 74 11.529 -0.684 -5.037 1.00 0.00 H new ATOM 0 HA ALA A 74 11.168 1.606 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.385 0.236 -1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.216 -0.754 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.952 -0.862 -3.067 1.00 0.00 H new ATOM 1137 N ASP A 75 14.272 1.449 -4.502 1.00 0.00 N ATOM 1138 CA ASP A 75 15.520 2.217 -4.489 1.00 0.00 C ATOM 1139 C ASP A 75 15.361 3.625 -5.080 1.00 0.00 C ATOM 1140 O ASP A 75 16.208 4.487 -4.846 1.00 0.00 O ATOM 1141 CB ASP A 75 16.592 1.455 -5.271 1.00 0.00 C ATOM 1142 CG ASP A 75 17.036 0.227 -4.481 1.00 0.00 C ATOM 1143 OD1 ASP A 75 16.374 -0.792 -4.585 1.00 0.00 O ATOM 1144 OD2 ASP A 75 18.035 0.324 -3.787 1.00 0.00 O ATOM 0 H ASP A 75 14.268 0.650 -5.135 1.00 0.00 H new ATOM 0 HA ASP A 75 15.813 2.338 -3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.200 1.152 -6.242 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.446 2.104 -5.461 1.00 0.00 H new ATOM 1149 N ASP A 76 14.310 3.860 -5.860 1.00 0.00 N ATOM 1150 CA ASP A 76 14.110 5.178 -6.484 1.00 0.00 C ATOM 1151 C ASP A 76 13.250 6.124 -5.632 1.00 0.00 C ATOM 1152 O ASP A 76 13.575 7.306 -5.515 1.00 0.00 O ATOM 1153 CB ASP A 76 13.448 4.995 -7.852 1.00 0.00 C ATOM 1154 CG ASP A 76 14.431 4.359 -8.829 1.00 0.00 C ATOM 1155 OD1 ASP A 76 15.621 4.433 -8.573 1.00 0.00 O ATOM 1156 OD2 ASP A 76 13.978 3.804 -9.817 1.00 0.00 O ATOM 0 H ASP A 76 13.590 3.171 -6.077 1.00 0.00 H new ATOM 0 HA ASP A 76 15.094 5.637 -6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.562 4.367 -7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.115 5.959 -8.235 1.00 0.00 H new ATOM 1161 N TRP A 77 12.140 5.642 -5.085 1.00 0.00 N ATOM 1162 CA TRP A 77 11.246 6.522 -4.311 1.00 0.00 C ATOM 1163 C TRP A 77 11.534 6.550 -2.806 1.00 0.00 C ATOM 1164 O TRP A 77 11.107 7.481 -2.124 1.00 0.00 O ATOM 1165 CB TRP A 77 9.792 6.118 -4.537 1.00 0.00 C ATOM 1166 CG TRP A 77 9.471 4.868 -3.760 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.518 3.602 -4.259 1.00 0.00 C ATOM 1168 CD2 TRP A 77 9.054 4.733 -2.357 1.00 0.00 C ATOM 1169 NE1 TRP A 77 9.131 2.720 -3.275 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.839 3.357 -2.093 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.827 5.648 -1.288 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.416 2.905 -0.849 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.402 5.179 -0.042 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.193 3.818 0.175 1.00 0.00 C ATOM 0 H TRP A 77 11.835 4.671 -5.155 1.00 0.00 H new ATOM 0 HA TRP A 77 11.435 7.530 -4.680 1.00 0.00 H new ATOM 0 HB2 TRP A 77 9.130 6.927 -4.228 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.615 5.950 -5.599 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.811 3.333 -5.263 1.00 0.00 H new ATOM 0 HE1 TRP A 77 9.068 1.711 -3.408 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.984 6.706 -1.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.261 1.850 -0.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.233 5.880 0.763 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.857 3.472 1.141 1.00 0.00 H new ATOM 1185 N PHE A 78 12.250 5.565 -2.275 1.00 0.00 N ATOM 1186 CA PHE A 78 12.545 5.579 -0.835 1.00 0.00 C ATOM 1187 C PHE A 78 13.832 6.343 -0.568 1.00 0.00 C ATOM 1188 O PHE A 78 14.863 6.100 -1.196 1.00 0.00 O ATOM 1189 CB PHE A 78 12.631 4.157 -0.269 1.00 0.00 C ATOM 1190 CG PHE A 78 13.172 4.215 1.150 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.296 4.399 2.231 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.556 4.131 1.381 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.801 4.484 3.534 1.00 0.00 C ATOM 1194 CE2 PHE A 78 15.056 4.217 2.684 1.00 0.00 C ATOM 1195 CZ PHE A 78 14.180 4.392 3.760 1.00 0.00 C ATOM 0 H PHE A 78 12.628 4.771 -2.792 1.00 0.00 H new ATOM 0 HA PHE A 78 11.725 6.087 -0.327 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.646 3.690 -0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.280 3.543 -0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.233 4.475 2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 78 15.234 4.000 0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.126 4.621 4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 78 16.119 4.148 2.860 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.567 4.456 4.766 1.00 0.00 H new ATOM 1205 N VAL A 79 13.743 7.297 0.355 1.00 0.00 N ATOM 1206 CA VAL A 79 14.862 8.155 0.719 1.00 0.00 C ATOM 1207 C VAL A 79 15.105 8.072 2.224 1.00 0.00 C ATOM 1208 O VAL A 79 14.166 7.833 2.983 1.00 0.00 O ATOM 1209 CB VAL A 79 14.496 9.587 0.331 1.00 0.00 C ATOM 1210 CG1 VAL A 79 14.453 9.700 -1.195 1.00 0.00 C ATOM 1211 CG2 VAL A 79 13.112 9.938 0.894 1.00 0.00 C ATOM 0 H VAL A 79 12.887 7.496 0.873 1.00 0.00 H new ATOM 0 HA VAL A 79 15.770 7.841 0.204 1.00 0.00 H new ATOM 0 HB VAL A 79 15.241 10.272 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.192 10.720 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.431 9.448 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.705 9.012 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.854 10.960 0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.369 9.252 0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 79 13.128 9.851 1.980 1.00 0.00 H new ATOM 1221 N SER A 80 16.345 8.271 2.676 1.00 0.00 N ATOM 1222 CA SER A 80 16.638 8.216 4.113 1.00 0.00 C ATOM 1223 C SER A 80 17.642 9.302 4.485 1.00 0.00 C ATOM 1224 O SER A 80 18.635 9.510 3.786 1.00 0.00 O ATOM 1225 CB SER A 80 17.200 6.840 4.499 1.00 0.00 C ATOM 1226 OG SER A 80 17.338 6.774 5.913 1.00 0.00 O ATOM 0 H SER A 80 17.150 8.468 2.082 1.00 0.00 H new ATOM 0 HA SER A 80 15.709 8.381 4.658 1.00 0.00 H new ATOM 0 HB2 SER A 80 16.535 6.050 4.149 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.165 6.680 4.019 1.00 0.00 H new ATOM 0 HG SER A 80 17.695 5.897 6.166 1.00 0.00 H new ATOM 1232 N GLU A 81 17.379 9.994 5.592 1.00 0.00 N ATOM 1233 CA GLU A 81 18.269 11.057 6.046 1.00 0.00 C ATOM 1234 C GLU A 81 19.600 10.476 6.510 1.00 0.00 C ATOM 1235 O GLU A 81 20.618 10.878 5.970 1.00 0.00 O ATOM 1236 CB GLU A 81 17.624 11.836 7.196 1.00 0.00 C ATOM 1237 CG GLU A 81 16.308 12.457 6.722 1.00 0.00 C ATOM 1238 CD GLU A 81 15.657 13.235 7.861 1.00 0.00 C ATOM 1239 OE1 GLU A 81 16.000 12.974 9.003 1.00 0.00 O ATOM 1240 OE2 GLU A 81 14.826 14.081 7.576 1.00 0.00 O ATOM 1241 OXT GLU A 81 19.582 9.641 7.397 1.00 0.00 O ATOM 0 H GLU A 81 16.564 9.839 6.185 1.00 0.00 H new ATOM 0 HA GLU A 81 18.447 11.733 5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.441 11.172 8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.301 12.616 7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 81 16.493 13.120 5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 81 15.633 11.676 6.372 1.00 0.00 H new TER 1248 GLU A 81