USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 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 Single : A 1 MET CE :methyl -110:sc=-0.00491 (180deg=-0.519) USER MOD Single : A 1 MET N :NH3+ 135:sc= -0.164 (180deg=-1.01) USER MOD Single : A 6 THR OG1 : rot -39:sc= -0.0865 USER MOD Single : A 9 LYS NZ :NH3+ 164:sc= -0.0152 (180deg=-0.386) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 11 SER OG : rot -63:sc= 0.742 USER MOD Single : A 26 SER OG : rot -54:sc= 0.339 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 39 HIS : no HD1:sc=-0.00105 X(o=-0.0011,f=-0.26) USER MOD Single : A 41 SER OG : rot 147:sc= -0.255 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 48 ASN : amide:sc= -0.323 K(o=-0.32,f=-7.9!) USER MOD Single : A 49 ASN : amide:sc= -0.0873 K(o=-0.087,f=-2.5!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -96:sc= -0.178! USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= -0.0679 (180deg=-0.538) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.209 K(o=-0.21,f=-1.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc=-0.00965 K(o=-0.0097,f=-1.9!) USER MOD Single : A 70 THR OG1 : rot 77:sc= -2.72! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 60:sc= -0.926! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.927 3.927 -0.668 1.00 0.00 N ATOM 2 CA MET A 1 -13.150 2.658 -0.591 1.00 0.00 C ATOM 3 C MET A 1 -12.081 2.795 0.491 1.00 0.00 C ATOM 4 O MET A 1 -11.481 3.859 0.638 1.00 0.00 O ATOM 5 CB MET A 1 -12.491 2.396 -1.949 1.00 0.00 C ATOM 6 CG MET A 1 -11.514 3.529 -2.266 1.00 0.00 C ATOM 7 SD MET A 1 -10.950 3.393 -3.983 1.00 0.00 S ATOM 8 CE MET A 1 -9.706 2.105 -3.729 1.00 0.00 C ATOM 0 H1 MET A 1 -14.051 4.198 -1.664 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.859 3.791 -0.228 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.414 4.679 -0.166 1.00 0.00 H new ATOM 0 HA MET A 1 -13.808 1.825 -0.343 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.965 1.441 -1.932 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.251 2.328 -2.727 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.998 4.493 -2.108 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.661 3.486 -1.589 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.711 2.531 -3.855 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.803 1.699 -2.722 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.854 1.307 -4.457 1.00 0.00 H new ATOM 20 N ARG A 2 -11.839 1.716 1.244 1.00 0.00 N ATOM 21 CA ARG A 2 -10.825 1.740 2.310 1.00 0.00 C ATOM 22 C ARG A 2 -9.804 0.626 2.092 1.00 0.00 C ATOM 23 O ARG A 2 -10.165 -0.520 1.824 1.00 0.00 O ATOM 24 CB ARG A 2 -11.491 1.562 3.678 1.00 0.00 C ATOM 25 CG ARG A 2 -10.426 1.619 4.778 1.00 0.00 C ATOM 26 CD ARG A 2 -11.107 1.691 6.146 1.00 0.00 C ATOM 27 NE ARG A 2 -10.127 1.514 7.213 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.441 1.760 8.482 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.604 2.271 8.778 1.00 0.00 N ATOM 30 NH2 ARG A 2 -9.587 1.491 9.431 1.00 0.00 N ATOM 0 H ARG A 2 -12.323 0.825 1.139 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.316 2.704 2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.234 2.343 3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -12.018 0.608 3.716 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.786 0.738 4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.785 2.488 4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.608 2.652 6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.875 0.921 6.218 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.186 1.196 6.982 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.272 2.482 8.037 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.845 2.460 9.751 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.677 1.092 9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.829 1.680 10.404 1.00 0.00 H new ATOM 44 N ILE A 3 -8.528 0.979 2.199 1.00 0.00 N ATOM 45 CA ILE A 3 -7.438 0.019 2.003 1.00 0.00 C ATOM 46 C ILE A 3 -6.606 -0.112 3.273 1.00 0.00 C ATOM 47 O ILE A 3 -6.089 0.883 3.781 1.00 0.00 O ATOM 48 CB ILE A 3 -6.522 0.524 0.886 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.312 0.642 -0.428 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.357 -0.452 0.698 1.00 0.00 C ATOM 51 CD1 ILE A 3 -6.580 1.582 -1.392 1.00 0.00 C ATOM 0 H ILE A 3 -8.218 1.925 2.421 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.870 -0.949 1.748 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.134 1.506 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.428 -0.342 -0.883 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.314 1.021 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.705 -0.092 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.790 -0.525 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.745 -1.435 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.144 1.662 -2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.487 2.569 -0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.587 1.185 -1.603 1.00 0.00 H new ATOM 63 N GLU A 4 -6.470 -1.336 3.780 1.00 0.00 N ATOM 64 CA GLU A 4 -5.678 -1.574 4.996 1.00 0.00 C ATOM 65 C GLU A 4 -4.563 -2.587 4.730 1.00 0.00 C ATOM 66 O GLU A 4 -4.804 -3.667 4.190 1.00 0.00 O ATOM 67 CB GLU A 4 -6.580 -2.080 6.128 1.00 0.00 C ATOM 68 CG GLU A 4 -7.657 -1.034 6.433 1.00 0.00 C ATOM 69 CD GLU A 4 -8.561 -1.527 7.560 1.00 0.00 C ATOM 70 OE1 GLU A 4 -8.584 -2.724 7.794 1.00 0.00 O ATOM 71 OE2 GLU A 4 -9.217 -0.700 8.172 1.00 0.00 O ATOM 0 H GLU A 4 -6.891 -2.173 3.377 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.225 -0.629 5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.045 -3.023 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.986 -2.276 7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.190 -0.091 6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.250 -0.839 5.539 1.00 0.00 H new ATOM 78 N VAL A 5 -3.336 -2.214 5.100 1.00 0.00 N ATOM 79 CA VAL A 5 -2.167 -3.082 4.884 1.00 0.00 C ATOM 80 C VAL A 5 -1.484 -3.431 6.206 1.00 0.00 C ATOM 81 O VAL A 5 -1.240 -2.561 7.032 1.00 0.00 O ATOM 82 CB VAL A 5 -1.159 -2.376 3.973 1.00 0.00 C ATOM 83 CG1 VAL A 5 -0.081 -3.369 3.523 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.877 -1.787 2.749 1.00 0.00 C ATOM 0 H VAL A 5 -3.122 -1.323 5.548 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.515 -4.003 4.417 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.686 -1.565 4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.634 -2.861 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.438 -3.763 4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.547 -4.189 2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.152 -1.287 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.363 -2.588 2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.627 -1.068 3.078 1.00 0.00 H new ATOM 94 N THR A 6 -1.165 -4.717 6.395 1.00 0.00 N ATOM 95 CA THR A 6 -0.484 -5.171 7.618 1.00 0.00 C ATOM 96 C THR A 6 0.836 -5.831 7.266 1.00 0.00 C ATOM 97 O THR A 6 0.920 -6.643 6.344 1.00 0.00 O ATOM 98 CB THR A 6 -1.368 -6.144 8.393 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.742 -7.217 7.544 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.618 -5.411 8.889 1.00 0.00 C ATOM 0 H THR A 6 -1.365 -5.458 5.723 1.00 0.00 H new ATOM 0 HA THR A 6 -0.289 -4.303 8.248 1.00 0.00 H new ATOM 0 HB THR A 6 -0.820 -6.538 9.249 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.934 -6.873 6.647 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.251 -6.105 9.443 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.323 -4.589 9.541 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.171 -5.017 8.036 1.00 0.00 H new ATOM 108 N ILE A 7 1.863 -5.477 8.026 1.00 0.00 N ATOM 109 CA ILE A 7 3.203 -6.022 7.839 1.00 0.00 C ATOM 110 C ILE A 7 3.605 -6.837 9.068 1.00 0.00 C ATOM 111 O ILE A 7 3.439 -6.386 10.200 1.00 0.00 O ATOM 112 CB ILE A 7 4.177 -4.855 7.638 1.00 0.00 C ATOM 113 CG1 ILE A 7 4.065 -4.339 6.196 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.621 -5.310 7.912 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.824 -3.015 6.048 1.00 0.00 C ATOM 0 H ILE A 7 1.792 -4.804 8.790 1.00 0.00 H new ATOM 0 HA ILE A 7 3.225 -6.676 6.968 1.00 0.00 H new ATOM 0 HB ILE A 7 3.922 -4.057 8.335 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.470 -5.078 5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.017 -4.197 5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.301 -4.471 7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.701 -5.667 8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.885 -6.115 7.226 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.738 -2.659 5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.400 -2.275 6.726 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.875 -3.169 6.291 1.00 0.00 H new ATOM 127 N ALA A 8 4.134 -8.035 8.842 1.00 0.00 N ATOM 128 CA ALA A 8 4.550 -8.885 9.948 1.00 0.00 C ATOM 129 C ALA A 8 5.699 -8.236 10.700 1.00 0.00 C ATOM 130 O ALA A 8 6.682 -7.769 10.123 1.00 0.00 O ATOM 131 CB ALA A 8 4.991 -10.245 9.411 1.00 0.00 C ATOM 0 H ALA A 8 4.283 -8.434 7.915 1.00 0.00 H new ATOM 0 HA ALA A 8 3.710 -9.019 10.630 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.302 -10.880 10.240 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.160 -10.716 8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.826 -10.111 8.723 1.00 0.00 H new ATOM 137 N LYS A 9 5.515 -8.204 12.011 1.00 0.00 N ATOM 138 CA LYS A 9 6.472 -7.604 12.922 1.00 0.00 C ATOM 139 C LYS A 9 7.829 -8.298 12.820 1.00 0.00 C ATOM 140 O LYS A 9 8.865 -7.691 13.095 1.00 0.00 O ATOM 141 CB LYS A 9 5.934 -7.660 14.357 1.00 0.00 C ATOM 142 CG LYS A 9 6.917 -7.018 15.349 1.00 0.00 C ATOM 143 CD LYS A 9 6.326 -7.106 16.757 1.00 0.00 C ATOM 144 CE LYS A 9 7.349 -6.596 17.772 1.00 0.00 C ATOM 145 NZ LYS A 9 7.631 -5.158 17.507 1.00 0.00 N ATOM 0 H LYS A 9 4.694 -8.595 12.473 1.00 0.00 H new ATOM 0 HA LYS A 9 6.613 -6.560 12.643 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.975 -7.145 14.408 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.754 -8.697 14.640 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.879 -7.529 15.311 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.098 -5.977 15.080 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.412 -6.515 16.817 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.054 -8.137 16.985 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.967 -6.723 18.785 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.268 -7.177 17.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.102 -4.738 18.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.250 -5.073 16.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.738 -4.657 17.326 1.00 0.00 H new ATOM 159 N THR A 10 7.823 -9.563 12.391 1.00 0.00 N ATOM 160 CA THR A 10 9.058 -10.319 12.218 1.00 0.00 C ATOM 161 C THR A 10 9.935 -9.617 11.192 1.00 0.00 C ATOM 162 O THR A 10 11.115 -9.939 11.048 1.00 0.00 O ATOM 163 CB THR A 10 8.740 -11.734 11.726 1.00 0.00 C ATOM 164 OG1 THR A 10 7.790 -11.662 10.671 1.00 0.00 O ATOM 165 CG2 THR A 10 8.170 -12.571 12.873 1.00 0.00 C ATOM 0 H THR A 10 6.976 -10.081 12.158 1.00 0.00 H new ATOM 0 HA THR A 10 9.579 -10.380 13.174 1.00 0.00 H new ATOM 0 HB THR A 10 9.655 -12.204 11.365 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.586 -12.566 10.353 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.947 -13.576 12.514 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.901 -12.628 13.680 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.256 -12.106 13.243 1.00 0.00 H new ATOM 173 N SER A 11 9.355 -8.651 10.482 1.00 0.00 N ATOM 174 CA SER A 11 10.088 -7.891 9.467 1.00 0.00 C ATOM 175 C SER A 11 10.046 -6.397 9.792 1.00 0.00 C ATOM 176 O SER A 11 9.248 -5.656 9.218 1.00 0.00 O ATOM 177 CB SER A 11 9.451 -8.123 8.096 1.00 0.00 C ATOM 178 OG SER A 11 8.158 -7.534 8.076 1.00 0.00 O ATOM 0 H SER A 11 8.379 -8.375 10.590 1.00 0.00 H new ATOM 0 HA SER A 11 11.125 -8.227 9.457 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.074 -7.688 7.314 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.380 -9.191 7.891 1.00 0.00 H new ATOM 0 HG SER A 11 7.586 -7.977 8.737 1.00 0.00 H new ATOM 184 N PRO A 12 10.879 -5.941 10.699 1.00 0.00 N ATOM 185 CA PRO A 12 10.927 -4.511 11.101 1.00 0.00 C ATOM 186 C PRO A 12 11.548 -3.598 10.039 1.00 0.00 C ATOM 187 O PRO A 12 12.605 -3.900 9.486 1.00 0.00 O ATOM 188 CB PRO A 12 11.705 -4.488 12.436 1.00 0.00 C ATOM 189 CG PRO A 12 12.061 -5.924 12.740 1.00 0.00 C ATOM 190 CD PRO A 12 11.874 -6.721 11.444 1.00 0.00 C ATOM 0 HA PRO A 12 9.921 -4.108 11.216 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.602 -3.874 12.354 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.097 -4.060 13.233 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.090 -5.999 13.093 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.423 -6.320 13.530 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.809 -6.811 10.891 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.522 -7.733 11.643 1.00 0.00 H new ATOM 198 N LEU A 13 10.887 -2.467 9.778 1.00 0.00 N ATOM 199 CA LEU A 13 11.374 -1.489 8.806 1.00 0.00 C ATOM 200 C LEU A 13 11.918 -0.267 9.562 1.00 0.00 C ATOM 201 O LEU A 13 11.430 0.047 10.648 1.00 0.00 O ATOM 202 CB LEU A 13 10.226 -1.079 7.873 1.00 0.00 C ATOM 203 CG LEU A 13 9.539 -2.328 7.281 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.574 -1.911 6.159 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.588 -3.293 6.704 1.00 0.00 C ATOM 0 H LEU A 13 10.010 -2.207 10.229 1.00 0.00 H new ATOM 0 HA LEU A 13 12.172 -1.921 8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.498 -0.482 8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.610 -0.452 7.068 1.00 0.00 H new ATOM 0 HG LEU A 13 8.988 -2.828 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.092 -2.797 5.745 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.815 -1.240 6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.129 -1.400 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.088 -4.169 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.151 -2.791 5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.270 -3.604 7.495 1.00 0.00 H new ATOM 217 N PRO A 14 12.928 0.408 9.052 1.00 0.00 N ATOM 218 CA PRO A 14 13.527 1.579 9.760 1.00 0.00 C ATOM 219 C PRO A 14 12.464 2.569 10.264 1.00 0.00 C ATOM 220 O PRO A 14 11.373 2.685 9.707 1.00 0.00 O ATOM 221 CB PRO A 14 14.499 2.222 8.747 1.00 0.00 C ATOM 222 CG PRO A 14 14.406 1.408 7.475 1.00 0.00 C ATOM 223 CD PRO A 14 13.610 0.129 7.781 1.00 0.00 C ATOM 0 HA PRO A 14 14.049 1.267 10.665 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.231 3.262 8.561 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.518 2.220 9.134 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.914 1.983 6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.402 1.158 7.110 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.895 -0.091 6.988 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.268 -0.736 7.866 1.00 0.00 H new ATOM 231 N ALA A 15 12.818 3.241 11.359 1.00 0.00 N ATOM 232 CA ALA A 15 11.949 4.209 12.034 1.00 0.00 C ATOM 233 C ALA A 15 11.493 5.361 11.126 1.00 0.00 C ATOM 234 O ALA A 15 11.611 6.528 11.501 1.00 0.00 O ATOM 235 CB ALA A 15 12.713 4.793 13.225 1.00 0.00 C ATOM 0 H ALA A 15 13.727 3.128 11.809 1.00 0.00 H new ATOM 0 HA ALA A 15 11.050 3.676 12.343 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.083 5.517 13.742 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.983 3.991 13.912 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.617 5.287 12.870 1.00 0.00 H new ATOM 241 N GLY A 16 10.971 5.044 9.947 1.00 0.00 N ATOM 242 CA GLY A 16 10.508 6.084 9.027 1.00 0.00 C ATOM 243 C GLY A 16 9.904 5.470 7.775 1.00 0.00 C ATOM 244 O GLY A 16 9.230 6.140 6.993 1.00 0.00 O ATOM 0 H GLY A 16 10.857 4.090 9.606 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.767 6.711 9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.342 6.731 8.754 1.00 0.00 H new ATOM 248 N ALA A 17 10.213 4.196 7.572 1.00 0.00 N ATOM 249 CA ALA A 17 9.772 3.474 6.388 1.00 0.00 C ATOM 250 C ALA A 17 8.269 3.200 6.325 1.00 0.00 C ATOM 251 O ALA A 17 7.669 3.322 5.258 1.00 0.00 O ATOM 252 CB ALA A 17 10.579 2.181 6.238 1.00 0.00 C ATOM 0 H ALA A 17 10.772 3.639 8.218 1.00 0.00 H new ATOM 0 HA ALA A 17 9.964 4.135 5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.245 1.644 5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.637 2.422 6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.430 1.555 7.118 1.00 0.00 H new ATOM 258 N ILE A 18 7.654 2.841 7.439 1.00 0.00 N ATOM 259 CA ILE A 18 6.221 2.577 7.417 1.00 0.00 C ATOM 260 C ILE A 18 5.494 3.831 6.970 1.00 0.00 C ATOM 261 O ILE A 18 4.642 3.793 6.081 1.00 0.00 O ATOM 262 CB ILE A 18 5.742 2.158 8.816 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.288 0.754 9.159 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.207 2.169 8.882 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.391 -0.351 8.580 1.00 0.00 C ATOM 0 H ILE A 18 8.106 2.727 8.346 1.00 0.00 H new ATOM 0 HA ILE A 18 6.009 1.766 6.721 1.00 0.00 H new ATOM 0 HB ILE A 18 6.121 2.871 9.548 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.299 0.648 8.765 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.354 0.642 10.241 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.884 1.870 9.879 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.841 3.173 8.668 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.806 1.472 8.146 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.802 -1.327 8.839 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.387 -0.259 8.994 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.346 -0.252 7.495 1.00 0.00 H new ATOM 277 N ASP A 19 5.851 4.944 7.588 1.00 0.00 N ATOM 278 CA ASP A 19 5.241 6.211 7.239 1.00 0.00 C ATOM 279 C ASP A 19 5.523 6.531 5.773 1.00 0.00 C ATOM 280 O ASP A 19 4.646 7.035 5.072 1.00 0.00 O ATOM 281 CB ASP A 19 5.715 7.327 8.168 1.00 0.00 C ATOM 282 CG ASP A 19 5.126 7.115 9.559 1.00 0.00 C ATOM 283 OD1 ASP A 19 4.171 6.363 9.667 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.638 7.705 10.496 1.00 0.00 O ATOM 0 H ASP A 19 6.553 4.995 8.326 1.00 0.00 H new ATOM 0 HA ASP A 19 4.162 6.134 7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.804 7.334 8.220 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.408 8.296 7.775 1.00 0.00 H new ATOM 289 N ALA A 20 6.737 6.245 5.301 1.00 0.00 N ATOM 290 CA ALA A 20 7.059 6.529 3.908 1.00 0.00 C ATOM 291 C ALA A 20 6.225 5.659 2.963 1.00 0.00 C ATOM 292 O ALA A 20 5.742 6.129 1.933 1.00 0.00 O ATOM 293 CB ALA A 20 8.561 6.336 3.642 1.00 0.00 C ATOM 0 H ALA A 20 7.492 5.829 5.846 1.00 0.00 H new ATOM 0 HA ALA A 20 6.811 7.572 3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.776 6.554 2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.133 7.011 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.840 5.306 3.863 1.00 0.00 H new ATOM 299 N LEU A 21 6.062 4.389 3.323 1.00 0.00 N ATOM 300 CA LEU A 21 5.295 3.449 2.527 1.00 0.00 C ATOM 301 C LEU A 21 3.839 3.890 2.392 1.00 0.00 C ATOM 302 O LEU A 21 3.281 3.910 1.294 1.00 0.00 O ATOM 303 CB LEU A 21 5.412 2.069 3.198 1.00 0.00 C ATOM 304 CG LEU A 21 4.490 1.044 2.542 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.881 0.832 1.076 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.614 -0.285 3.293 1.00 0.00 C ATOM 0 H LEU A 21 6.458 3.988 4.173 1.00 0.00 H new ATOM 0 HA LEU A 21 5.690 3.404 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.443 1.722 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.165 2.156 4.256 1.00 0.00 H new ATOM 0 HG LEU A 21 3.464 1.409 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.214 0.098 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.800 1.776 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.908 0.470 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.959 -1.025 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.646 -0.634 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.325 -0.143 4.334 1.00 0.00 H new ATOM 318 N ALA A 22 3.231 4.240 3.525 1.00 0.00 N ATOM 319 CA ALA A 22 1.838 4.678 3.541 1.00 0.00 C ATOM 320 C ALA A 22 1.657 5.921 2.672 1.00 0.00 C ATOM 321 O ALA A 22 0.667 6.027 1.946 1.00 0.00 O ATOM 322 CB ALA A 22 1.395 4.970 4.975 1.00 0.00 C ATOM 0 H ALA A 22 3.681 4.229 4.441 1.00 0.00 H new ATOM 0 HA ALA A 22 1.219 3.878 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.355 5.296 4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.492 4.067 5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.022 5.756 5.396 1.00 0.00 H new ATOM 328 N GLY A 23 2.597 6.842 2.717 1.00 0.00 N ATOM 329 CA GLY A 23 2.509 8.049 1.897 1.00 0.00 C ATOM 330 C GLY A 23 2.634 7.727 0.416 1.00 0.00 C ATOM 331 O GLY A 23 1.887 8.275 -0.394 1.00 0.00 O ATOM 0 H GLY A 23 3.428 6.786 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.558 8.548 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.296 8.745 2.187 1.00 0.00 H new ATOM 335 N GLU A 24 3.562 6.856 0.041 1.00 0.00 N ATOM 336 CA GLU A 24 3.703 6.532 -1.375 1.00 0.00 C ATOM 337 C GLU A 24 2.459 5.817 -1.900 1.00 0.00 C ATOM 338 O GLU A 24 1.994 6.104 -3.003 1.00 0.00 O ATOM 339 CB GLU A 24 4.945 5.669 -1.618 1.00 0.00 C ATOM 340 CG GLU A 24 5.096 5.404 -3.121 1.00 0.00 C ATOM 341 CD GLU A 24 6.277 4.487 -3.358 1.00 0.00 C ATOM 342 OE1 GLU A 24 6.426 3.555 -2.591 1.00 0.00 O ATOM 343 OE2 GLU A 24 7.009 4.723 -4.305 1.00 0.00 O ATOM 0 H GLU A 24 4.207 6.376 0.669 1.00 0.00 H new ATOM 0 HA GLU A 24 3.819 7.470 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.832 6.174 -1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.857 4.726 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.186 4.951 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.240 6.344 -3.654 1.00 0.00 H new ATOM 350 N LEU A 25 1.935 4.874 -1.129 1.00 0.00 N ATOM 351 CA LEU A 25 0.762 4.124 -1.564 1.00 0.00 C ATOM 352 C LEU A 25 -0.466 5.011 -1.758 1.00 0.00 C ATOM 353 O LEU A 25 -1.199 4.849 -2.730 1.00 0.00 O ATOM 354 CB LEU A 25 0.439 3.008 -0.562 1.00 0.00 C ATOM 355 CG LEU A 25 1.508 1.898 -0.623 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.303 0.945 0.559 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.395 1.095 -1.943 1.00 0.00 C ATOM 0 H LEU A 25 2.296 4.612 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 25 1.010 3.692 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.391 3.420 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.542 2.588 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 25 2.495 2.359 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.054 0.156 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.400 1.498 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.309 0.502 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.159 0.318 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.409 0.635 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.538 1.766 -2.790 1.00 0.00 H new ATOM 369 N SER A 26 -0.697 5.940 -0.841 1.00 0.00 N ATOM 370 CA SER A 26 -1.859 6.816 -0.959 1.00 0.00 C ATOM 371 C SER A 26 -1.807 7.623 -2.252 1.00 0.00 C ATOM 372 O SER A 26 -2.810 7.734 -2.957 1.00 0.00 O ATOM 373 CB SER A 26 -1.929 7.773 0.232 1.00 0.00 C ATOM 374 OG SER A 26 -0.939 8.783 0.083 1.00 0.00 O ATOM 0 H SER A 26 -0.111 6.107 -0.023 1.00 0.00 H new ATOM 0 HA SER A 26 -2.749 6.186 -0.972 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.919 8.225 0.292 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.770 7.227 1.162 1.00 0.00 H new ATOM 0 HG SER A 26 -0.063 8.365 -0.051 1.00 0.00 H new ATOM 380 N ARG A 27 -0.645 8.187 -2.571 1.00 0.00 N ATOM 381 CA ARG A 27 -0.518 8.974 -3.793 1.00 0.00 C ATOM 382 C ARG A 27 -0.838 8.098 -5.005 1.00 0.00 C ATOM 383 O ARG A 27 -1.517 8.537 -5.932 1.00 0.00 O ATOM 384 CB ARG A 27 0.899 9.547 -3.915 1.00 0.00 C ATOM 385 CG ARG A 27 1.010 10.367 -5.204 1.00 0.00 C ATOM 386 CD ARG A 27 2.367 11.069 -5.256 1.00 0.00 C ATOM 387 NE ARG A 27 2.529 11.754 -6.537 1.00 0.00 N ATOM 388 CZ ARG A 27 3.036 11.130 -7.598 1.00 0.00 C ATOM 389 NH1 ARG A 27 4.316 10.883 -7.660 1.00 0.00 N ATOM 390 NH2 ARG A 27 2.252 10.763 -8.575 1.00 0.00 N ATOM 0 H ARG A 27 0.206 8.116 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.224 9.804 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.125 10.174 -3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.630 8.739 -3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.893 9.717 -6.071 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.207 11.103 -5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.446 11.786 -4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.167 10.341 -5.120 1.00 0.00 H new ATOM 0 HE ARG A 27 2.248 12.731 -6.620 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.928 11.168 -6.895 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.704 10.405 -8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.251 10.954 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.640 10.285 -9.388 1.00 0.00 H new ATOM 404 N ARG A 28 -0.354 6.857 -4.991 1.00 0.00 N ATOM 405 CA ARG A 28 -0.611 5.934 -6.096 1.00 0.00 C ATOM 406 C ARG A 28 -2.102 5.639 -6.236 1.00 0.00 C ATOM 407 O ARG A 28 -2.637 5.578 -7.343 1.00 0.00 O ATOM 408 CB ARG A 28 0.157 4.633 -5.868 1.00 0.00 C ATOM 409 CG ARG A 28 1.654 4.904 -6.041 1.00 0.00 C ATOM 410 CD ARG A 28 2.445 3.617 -5.818 1.00 0.00 C ATOM 411 NE ARG A 28 3.872 3.872 -5.981 1.00 0.00 N ATOM 412 CZ ARG A 28 4.440 3.872 -7.184 1.00 0.00 C ATOM 413 NH1 ARG A 28 4.434 4.955 -7.910 1.00 0.00 N ATOM 414 NH2 ARG A 28 5.002 2.785 -7.638 1.00 0.00 N ATOM 0 H ARG A 28 0.212 6.470 -4.236 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.272 6.404 -7.019 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.043 4.247 -4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.173 3.872 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.849 5.292 -7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.978 5.667 -5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.249 3.229 -4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.121 2.854 -6.526 1.00 0.00 H new ATOM 0 HE ARG A 28 4.445 4.054 -5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.993 5.804 -7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.870 4.953 -8.832 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.005 1.937 -7.071 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.438 2.783 -8.560 1.00 0.00 H new ATOM 428 N ILE A 29 -2.761 5.461 -5.098 1.00 0.00 N ATOM 429 CA ILE A 29 -4.193 5.172 -5.083 1.00 0.00 C ATOM 430 C ILE A 29 -5.011 6.335 -5.651 1.00 0.00 C ATOM 431 O ILE A 29 -5.924 6.131 -6.451 1.00 0.00 O ATOM 432 CB ILE A 29 -4.641 4.856 -3.643 1.00 0.00 C ATOM 433 CG1 ILE A 29 -4.069 3.489 -3.194 1.00 0.00 C ATOM 434 CG2 ILE A 29 -6.171 4.838 -3.545 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.596 2.330 -4.065 1.00 0.00 C ATOM 0 H ILE A 29 -2.330 5.511 -4.175 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.372 4.306 -5.720 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.259 5.637 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.981 3.516 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.334 3.309 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.467 4.613 -2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.565 5.813 -3.831 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.569 4.075 -4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.170 1.390 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.683 2.285 -3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.308 2.495 -5.103 1.00 0.00 H new ATOM 447 N GLN A 30 -4.678 7.546 -5.230 1.00 0.00 N ATOM 448 CA GLN A 30 -5.390 8.733 -5.699 1.00 0.00 C ATOM 449 C GLN A 30 -5.244 8.913 -7.208 1.00 0.00 C ATOM 450 O GLN A 30 -6.220 9.254 -7.874 1.00 0.00 O ATOM 451 CB GLN A 30 -4.890 9.984 -4.961 1.00 0.00 C ATOM 452 CG GLN A 30 -5.681 11.221 -5.413 1.00 0.00 C ATOM 453 CD GLN A 30 -5.192 12.455 -4.662 1.00 0.00 C ATOM 454 OE1 GLN A 30 -4.640 12.339 -3.569 1.00 0.00 O ATOM 455 NE2 GLN A 30 -5.361 13.637 -5.189 1.00 0.00 N ATOM 0 H GLN A 30 -3.925 7.736 -4.569 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.449 8.593 -5.481 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.999 9.848 -3.885 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.828 10.131 -5.158 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.561 11.367 -6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.745 11.070 -5.228 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.819 13.730 -6.096 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.035 14.467 -4.694 1.00 0.00 H new ATOM 464 N TYR A 31 -4.051 8.695 -7.770 1.00 0.00 N ATOM 465 CA TYR A 31 -3.881 8.861 -9.209 1.00 0.00 C ATOM 466 C TYR A 31 -4.716 7.823 -9.962 1.00 0.00 C ATOM 467 O TYR A 31 -5.313 8.128 -10.993 1.00 0.00 O ATOM 468 CB TYR A 31 -2.413 8.724 -9.616 1.00 0.00 C ATOM 469 CG TYR A 31 -2.297 8.905 -11.114 1.00 0.00 C ATOM 470 CD1 TYR A 31 -2.268 10.193 -11.661 1.00 0.00 C ATOM 471 CD2 TYR A 31 -2.232 7.786 -11.956 1.00 0.00 C ATOM 472 CE1 TYR A 31 -2.172 10.365 -13.047 1.00 0.00 C ATOM 473 CE2 TYR A 31 -2.135 7.960 -13.344 1.00 0.00 C ATOM 474 CZ TYR A 31 -2.104 9.249 -13.888 1.00 0.00 C ATOM 475 OH TYR A 31 -2.010 9.419 -15.255 1.00 0.00 O ATOM 0 H TYR A 31 -3.212 8.411 -7.264 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.219 9.864 -9.469 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.808 9.469 -9.099 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.031 7.745 -9.325 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.320 11.055 -11.013 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.257 6.791 -11.536 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.150 11.360 -13.467 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.084 7.099 -13.994 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.971 8.543 -15.692 1.00 0.00 H new ATOM 485 N ALA A 32 -4.746 6.599 -9.450 1.00 0.00 N ATOM 486 CA ALA A 32 -5.501 5.523 -10.092 1.00 0.00 C ATOM 487 C ALA A 32 -7.011 5.727 -9.973 1.00 0.00 C ATOM 488 O ALA A 32 -7.764 5.418 -10.897 1.00 0.00 O ATOM 489 CB ALA A 32 -5.116 4.188 -9.450 1.00 0.00 C ATOM 0 H ALA A 32 -4.260 6.324 -8.596 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.251 5.527 -11.153 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.675 3.382 -9.924 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.048 4.015 -9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.350 4.215 -8.386 1.00 0.00 H new ATOM 495 N PHE A 33 -7.444 6.239 -8.821 1.00 0.00 N ATOM 496 CA PHE A 33 -8.869 6.477 -8.565 1.00 0.00 C ATOM 497 C PHE A 33 -9.126 7.960 -8.289 1.00 0.00 C ATOM 498 O PHE A 33 -9.108 8.392 -7.135 1.00 0.00 O ATOM 499 CB PHE A 33 -9.313 5.654 -7.356 1.00 0.00 C ATOM 500 CG PHE A 33 -9.142 4.187 -7.668 1.00 0.00 C ATOM 501 CD1 PHE A 33 -10.142 3.497 -8.364 1.00 0.00 C ATOM 502 CD2 PHE A 33 -7.980 3.519 -7.267 1.00 0.00 C ATOM 503 CE1 PHE A 33 -9.980 2.138 -8.658 1.00 0.00 C ATOM 504 CE2 PHE A 33 -7.817 2.160 -7.560 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.817 1.469 -8.256 1.00 0.00 C ATOM 0 H PHE A 33 -6.830 6.498 -8.049 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.436 6.180 -9.447 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.723 5.924 -6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.355 5.869 -7.117 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.038 4.013 -8.674 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.209 4.052 -6.731 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.751 1.606 -9.195 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.920 1.644 -7.249 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.691 0.421 -8.483 1.00 0.00 H new ATOM 515 N PRO A 34 -9.355 8.747 -9.314 1.00 0.00 N ATOM 516 CA PRO A 34 -9.611 10.208 -9.161 1.00 0.00 C ATOM 517 C PRO A 34 -10.999 10.523 -8.595 1.00 0.00 C ATOM 518 O PRO A 34 -11.228 11.583 -8.012 1.00 0.00 O ATOM 519 CB PRO A 34 -9.478 10.776 -10.605 1.00 0.00 C ATOM 520 CG PRO A 34 -9.135 9.619 -11.507 1.00 0.00 C ATOM 521 CD PRO A 34 -9.399 8.332 -10.726 1.00 0.00 C ATOM 0 HA PRO A 34 -8.912 10.649 -8.450 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.409 11.247 -10.921 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.703 11.541 -10.648 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.739 9.648 -12.414 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.092 9.672 -11.818 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.367 7.902 -10.984 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.646 7.574 -10.941 1.00 0.00 H new ATOM 529 N ASP A 35 -11.929 9.602 -8.840 1.00 0.00 N ATOM 530 CA ASP A 35 -13.325 9.770 -8.432 1.00 0.00 C ATOM 531 C ASP A 35 -13.659 9.169 -7.063 1.00 0.00 C ATOM 532 O ASP A 35 -14.772 9.383 -6.580 1.00 0.00 O ATOM 533 CB ASP A 35 -14.229 9.108 -9.472 1.00 0.00 C ATOM 534 CG ASP A 35 -15.683 9.481 -9.207 1.00 0.00 C ATOM 535 OD1 ASP A 35 -15.907 10.470 -8.529 1.00 0.00 O ATOM 536 OD2 ASP A 35 -16.553 8.769 -9.682 1.00 0.00 O ATOM 0 H ASP A 35 -11.740 8.724 -9.323 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.490 10.845 -8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.939 9.426 -10.474 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.109 8.025 -9.434 1.00 0.00 H new ATOM 541 N ASN A 36 -12.763 8.388 -6.445 1.00 0.00 N ATOM 542 CA ASN A 36 -13.093 7.750 -5.150 1.00 0.00 C ATOM 543 C ASN A 36 -12.074 8.045 -4.059 1.00 0.00 C ATOM 544 O ASN A 36 -10.879 7.843 -4.274 1.00 0.00 O ATOM 545 CB ASN A 36 -13.107 6.234 -5.350 1.00 0.00 C ATOM 546 CG ASN A 36 -14.149 5.845 -6.392 1.00 0.00 C ATOM 547 OD1 ASN A 36 -15.302 6.267 -6.306 1.00 0.00 O ATOM 548 ND2 ASN A 36 -13.808 5.064 -7.380 1.00 0.00 N ATOM 0 H ASN A 36 -11.830 8.183 -6.802 1.00 0.00 H new ATOM 0 HA ASN A 36 -14.057 8.150 -4.835 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.121 5.894 -5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.326 5.738 -4.404 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.498 4.801 -8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -12.852 4.716 -7.448 1.00 0.00 H new ATOM 555 N GLU A 37 -12.513 8.464 -2.884 1.00 0.00 N ATOM 556 CA GLU A 37 -11.591 8.706 -1.784 1.00 0.00 C ATOM 557 C GLU A 37 -10.896 7.413 -1.355 1.00 0.00 C ATOM 558 O GLU A 37 -11.554 6.449 -0.972 1.00 0.00 O ATOM 559 CB GLU A 37 -12.441 9.177 -0.585 1.00 0.00 C ATOM 560 CG GLU A 37 -11.578 9.405 0.677 1.00 0.00 C ATOM 561 CD GLU A 37 -12.467 9.868 1.825 1.00 0.00 C ATOM 562 OE1 GLU A 37 -13.677 9.808 1.671 1.00 0.00 O ATOM 563 OE2 GLU A 37 -11.927 10.281 2.837 1.00 0.00 O ATOM 0 H GLU A 37 -13.493 8.643 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.840 9.433 -2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.955 10.102 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.210 8.434 -0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.064 8.483 0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.809 10.151 0.475 1.00 0.00 H new ATOM 570 N GLY A 38 -9.569 7.416 -1.373 1.00 0.00 N ATOM 571 CA GLY A 38 -8.820 6.231 -0.926 1.00 0.00 C ATOM 572 C GLY A 38 -8.097 6.474 0.391 1.00 0.00 C ATOM 573 O GLY A 38 -7.319 7.424 0.475 1.00 0.00 O ATOM 0 H GLY A 38 -8.994 8.200 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.505 5.391 -0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.095 5.951 -1.691 1.00 0.00 H new ATOM 577 N HIS A 39 -8.308 5.633 1.418 1.00 0.00 N ATOM 578 CA HIS A 39 -7.605 5.825 2.700 1.00 0.00 C ATOM 579 C HIS A 39 -6.702 4.621 2.932 1.00 0.00 C ATOM 580 O HIS A 39 -7.172 3.484 2.899 1.00 0.00 O ATOM 581 CB HIS A 39 -8.622 5.934 3.840 1.00 0.00 C ATOM 582 CG HIS A 39 -7.901 6.130 5.148 1.00 0.00 C ATOM 583 ND1 HIS A 39 -7.576 5.071 5.983 1.00 0.00 N ATOM 584 CD2 HIS A 39 -7.446 7.260 5.781 1.00 0.00 C ATOM 585 CE1 HIS A 39 -6.954 5.583 7.062 1.00 0.00 C ATOM 586 NE2 HIS A 39 -6.849 6.913 6.988 1.00 0.00 N ATOM 0 H HIS A 39 -8.942 4.834 1.390 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.015 6.741 2.671 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.298 6.769 3.658 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.233 5.032 3.882 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.538 8.266 5.399 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.585 4.991 7.886 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.422 7.539 7.671 1.00 0.00 H new ATOM 594 N VAL A 40 -5.405 4.855 3.120 1.00 0.00 N ATOM 595 CA VAL A 40 -4.454 3.766 3.301 1.00 0.00 C ATOM 596 C VAL A 40 -3.859 3.771 4.702 1.00 0.00 C ATOM 597 O VAL A 40 -3.368 4.796 5.173 1.00 0.00 O ATOM 598 CB VAL A 40 -3.341 3.929 2.271 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.325 2.800 2.433 1.00 0.00 C ATOM 600 CG2 VAL A 40 -3.946 3.887 0.863 1.00 0.00 C ATOM 0 H VAL A 40 -4.992 5.787 3.151 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.972 2.816 3.167 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.839 4.885 2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.530 2.917 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.899 2.835 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.820 1.841 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.154 4.003 0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.447 2.931 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.667 4.697 0.753 1.00 0.00 H new ATOM 610 N SER A 41 -3.885 2.609 5.350 1.00 0.00 N ATOM 611 CA SER A 41 -3.318 2.470 6.696 1.00 0.00 C ATOM 612 C SER A 41 -2.309 1.333 6.728 1.00 0.00 C ATOM 613 O SER A 41 -2.523 0.280 6.126 1.00 0.00 O ATOM 614 CB SER A 41 -4.421 2.236 7.727 1.00 0.00 C ATOM 615 OG SER A 41 -3.836 2.096 9.015 1.00 0.00 O ATOM 0 H SER A 41 -4.289 1.753 4.971 1.00 0.00 H new ATOM 0 HA SER A 41 -2.806 3.398 6.951 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.123 3.070 7.722 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.988 1.341 7.473 1.00 0.00 H new ATOM 0 HG SER A 41 -4.443 2.463 9.692 1.00 0.00 H new ATOM 621 N VAL A 42 -1.213 1.548 7.455 1.00 0.00 N ATOM 622 CA VAL A 42 -0.173 0.525 7.587 1.00 0.00 C ATOM 623 C VAL A 42 0.152 0.321 9.060 1.00 0.00 C ATOM 624 O VAL A 42 0.452 1.275 9.777 1.00 0.00 O ATOM 625 CB VAL A 42 1.091 0.934 6.820 1.00 0.00 C ATOM 626 CG1 VAL A 42 2.136 -0.179 6.921 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.753 1.194 5.348 1.00 0.00 C ATOM 0 H VAL A 42 -1.022 2.414 7.959 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.541 -0.409 7.163 1.00 0.00 H new ATOM 0 HB VAL A 42 1.492 1.848 7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.033 0.114 6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.387 -0.348 7.968 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.733 -1.096 6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.657 1.484 4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.343 0.287 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.018 1.996 5.280 1.00 0.00 H new ATOM 637 N ARG A 43 0.087 -0.938 9.512 1.00 0.00 N ATOM 638 CA ARG A 43 0.374 -1.248 10.915 1.00 0.00 C ATOM 639 C ARG A 43 1.032 -2.616 11.040 1.00 0.00 C ATOM 640 O ARG A 43 0.897 -3.464 10.159 1.00 0.00 O ATOM 641 CB ARG A 43 -0.918 -1.244 11.734 1.00 0.00 C ATOM 642 CG ARG A 43 -1.735 0.002 11.404 1.00 0.00 C ATOM 643 CD ARG A 43 -2.919 0.103 12.366 1.00 0.00 C ATOM 644 NE ARG A 43 -3.827 -1.019 12.162 1.00 0.00 N ATOM 645 CZ ARG A 43 -4.618 -1.072 11.095 1.00 0.00 C ATOM 646 NH1 ARG A 43 -4.663 -0.063 10.269 1.00 0.00 N ATOM 647 NH2 ARG A 43 -5.345 -2.132 10.871 1.00 0.00 N ATOM 0 H ARG A 43 -0.157 -1.744 8.937 1.00 0.00 H new ATOM 0 HA ARG A 43 1.053 -0.485 11.295 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.500 -2.140 11.517 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.685 -1.266 12.799 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.110 0.892 11.484 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.091 -0.045 10.375 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.561 0.109 13.396 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.448 1.043 12.207 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.856 -1.774 12.847 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.092 0.764 10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.269 -0.101 9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.307 -2.922 11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.951 -2.171 10.052 1.00 0.00 H new ATOM 661 N TYR A 44 1.717 -2.835 12.155 1.00 0.00 N ATOM 662 CA TYR A 44 2.357 -4.120 12.399 1.00 0.00 C ATOM 663 C TYR A 44 1.315 -5.090 12.945 1.00 0.00 C ATOM 664 O TYR A 44 0.511 -4.735 13.806 1.00 0.00 O ATOM 665 CB TYR A 44 3.504 -3.984 13.404 1.00 0.00 C ATOM 666 CG TYR A 44 4.648 -3.204 12.797 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.357 -3.731 11.709 1.00 0.00 C ATOM 668 CD2 TYR A 44 5.010 -1.958 13.330 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.424 -3.013 11.155 1.00 0.00 C ATOM 670 CE2 TYR A 44 6.076 -1.242 12.776 1.00 0.00 C ATOM 671 CZ TYR A 44 6.784 -1.768 11.688 1.00 0.00 C ATOM 672 OH TYR A 44 7.834 -1.060 11.141 1.00 0.00 O ATOM 0 H TYR A 44 1.843 -2.147 12.897 1.00 0.00 H new ATOM 0 HA TYR A 44 2.771 -4.491 11.461 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.150 -3.481 14.304 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.850 -4.972 13.707 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.081 -4.691 11.298 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.465 -1.551 14.169 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.970 -3.419 10.316 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.353 -0.283 13.187 1.00 0.00 H new ATOM 0 HH TYR A 44 7.950 -0.218 11.628 1.00 0.00 H new ATOM 682 N ALA A 45 1.343 -6.322 12.437 1.00 0.00 N ATOM 683 CA ALA A 45 0.411 -7.365 12.861 1.00 0.00 C ATOM 684 C ALA A 45 1.162 -8.687 12.955 1.00 0.00 C ATOM 685 O ALA A 45 2.301 -8.785 12.500 1.00 0.00 O ATOM 686 CB ALA A 45 -0.744 -7.489 11.862 1.00 0.00 C ATOM 0 H ALA A 45 2.008 -6.623 11.725 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.005 -7.105 13.834 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.429 -8.270 12.193 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.277 -6.540 11.803 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.349 -7.745 10.879 1.00 0.00 H new ATOM 692 N ALA A 46 0.543 -9.701 13.549 1.00 0.00 N ATOM 693 CA ALA A 46 1.215 -10.988 13.681 1.00 0.00 C ATOM 694 C ALA A 46 1.544 -11.566 12.302 1.00 0.00 C ATOM 695 O ALA A 46 2.481 -12.354 12.172 1.00 0.00 O ATOM 696 CB ALA A 46 0.372 -11.970 14.495 1.00 0.00 C ATOM 0 H ALA A 46 -0.399 -9.661 13.938 1.00 0.00 H new ATOM 0 HA ALA A 46 2.149 -10.827 14.219 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.899 -12.921 14.577 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.201 -11.563 15.492 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.585 -12.127 13.998 1.00 0.00 H new ATOM 702 N ALA A 47 0.766 -11.208 11.273 1.00 0.00 N ATOM 703 CA ALA A 47 1.004 -11.752 9.927 1.00 0.00 C ATOM 704 C ALA A 47 0.824 -10.704 8.832 1.00 0.00 C ATOM 705 O ALA A 47 0.008 -9.791 8.958 1.00 0.00 O ATOM 706 CB ALA A 47 0.054 -12.923 9.666 1.00 0.00 C ATOM 0 H ALA A 47 -0.018 -10.559 11.341 1.00 0.00 H new ATOM 0 HA ALA A 47 2.041 -12.087 9.896 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.234 -13.322 8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.227 -13.704 10.406 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.977 -12.578 9.738 1.00 0.00 H new ATOM 712 N ASN A 48 1.552 -10.881 7.727 1.00 0.00 N ATOM 713 CA ASN A 48 1.419 -9.983 6.586 1.00 0.00 C ATOM 714 C ASN A 48 0.057 -10.235 5.952 1.00 0.00 C ATOM 715 O ASN A 48 -0.288 -11.379 5.652 1.00 0.00 O ATOM 716 CB ASN A 48 2.532 -10.255 5.567 1.00 0.00 C ATOM 717 CG ASN A 48 2.526 -11.723 5.153 1.00 0.00 C ATOM 718 OD1 ASN A 48 2.124 -12.587 5.932 1.00 0.00 O ATOM 719 ND2 ASN A 48 2.952 -12.058 3.965 1.00 0.00 N ATOM 0 H ASN A 48 2.232 -11.631 7.602 1.00 0.00 H new ATOM 0 HA ASN A 48 1.502 -8.945 6.909 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.394 -9.623 4.690 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.499 -9.996 5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.952 -13.038 3.681 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.285 -11.340 3.321 1.00 0.00 H new ATOM 726 N ASN A 49 -0.722 -9.177 5.749 1.00 0.00 N ATOM 727 CA ASN A 49 -2.047 -9.313 5.152 1.00 0.00 C ATOM 728 C ASN A 49 -2.436 -8.027 4.429 1.00 0.00 C ATOM 729 O ASN A 49 -2.046 -6.932 4.834 1.00 0.00 O ATOM 730 CB ASN A 49 -3.082 -9.614 6.247 1.00 0.00 C ATOM 731 CG ASN A 49 -4.345 -10.216 5.639 1.00 0.00 C ATOM 732 OD1 ASN A 49 -4.314 -10.733 4.522 1.00 0.00 O ATOM 733 ND2 ASN A 49 -5.464 -10.170 6.310 1.00 0.00 N ATOM 0 H ASN A 49 -0.461 -8.220 5.988 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.024 -10.133 4.434 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.658 -10.304 6.976 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.330 -8.698 6.782 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.316 -10.563 5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.487 -9.741 7.235 1.00 0.00 H new ATOM 740 N LEU A 50 -3.236 -8.168 3.375 1.00 0.00 N ATOM 741 CA LEU A 50 -3.722 -7.023 2.605 1.00 0.00 C ATOM 742 C LEU A 50 -5.239 -7.145 2.555 1.00 0.00 C ATOM 743 O LEU A 50 -5.759 -8.162 2.096 1.00 0.00 O ATOM 744 CB LEU A 50 -3.139 -7.064 1.188 1.00 0.00 C ATOM 745 CG LEU A 50 -3.645 -5.862 0.367 1.00 0.00 C ATOM 746 CD1 LEU A 50 -3.200 -4.545 1.017 1.00 0.00 C ATOM 747 CD2 LEU A 50 -3.096 -5.948 -1.066 1.00 0.00 C ATOM 0 H LEU A 50 -3.564 -9.071 3.032 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.421 -6.080 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.050 -7.049 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.424 -7.994 0.697 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.734 -5.887 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.565 -3.706 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.607 -4.482 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.111 -4.511 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.455 -5.097 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.006 -5.935 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.437 -6.873 -1.531 1.00 0.00 H new ATOM 759 N SER A 51 -5.955 -6.123 3.016 1.00 0.00 N ATOM 760 CA SER A 51 -7.420 -6.153 3.003 1.00 0.00 C ATOM 761 C SER A 51 -7.963 -4.946 2.243 1.00 0.00 C ATOM 762 O SER A 51 -7.579 -3.810 2.524 1.00 0.00 O ATOM 763 CB SER A 51 -7.932 -6.109 4.443 1.00 0.00 C ATOM 764 OG SER A 51 -7.623 -7.340 5.085 1.00 0.00 O ATOM 0 H SER A 51 -5.551 -5.269 3.401 1.00 0.00 H new ATOM 0 HA SER A 51 -7.756 -7.066 2.511 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.473 -5.279 4.980 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.009 -5.939 4.454 1.00 0.00 H new ATOM 0 HG SER A 51 -7.947 -7.317 6.009 1.00 0.00 H new ATOM 770 N VAL A 52 -8.882 -5.188 1.306 1.00 0.00 N ATOM 771 CA VAL A 52 -9.503 -4.106 0.539 1.00 0.00 C ATOM 772 C VAL A 52 -11.014 -4.179 0.694 1.00 0.00 C ATOM 773 O VAL A 52 -11.615 -5.225 0.446 1.00 0.00 O ATOM 774 CB VAL A 52 -9.138 -4.210 -0.941 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.819 -3.072 -1.704 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.622 -4.090 -1.101 1.00 0.00 C ATOM 0 H VAL A 52 -9.212 -6.121 1.060 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.135 -3.154 0.921 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.470 -5.171 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.564 -3.139 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.900 -3.151 -1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.480 -2.115 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.361 -4.164 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.290 -3.128 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.133 -4.893 -0.549 1.00 0.00 H new ATOM 786 N ILE A 53 -11.633 -3.070 1.098 1.00 0.00 N ATOM 787 CA ILE A 53 -13.088 -3.027 1.276 1.00 0.00 C ATOM 788 C ILE A 53 -13.710 -1.968 0.369 1.00 0.00 C ATOM 789 O ILE A 53 -13.291 -0.810 0.381 1.00 0.00 O ATOM 790 CB ILE A 53 -13.421 -2.698 2.732 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.776 -3.735 3.661 1.00 0.00 C ATOM 792 CG2 ILE A 53 -14.939 -2.725 2.923 1.00 0.00 C ATOM 793 CD1 ILE A 53 -12.799 -3.208 5.096 1.00 0.00 C ATOM 0 H ILE A 53 -11.155 -2.194 1.308 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.495 -4.003 1.013 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.035 -1.708 2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.315 -4.681 3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.750 -3.932 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.179 -2.491 3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.401 -1.987 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.319 -3.717 2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.342 -3.941 5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.242 -2.273 5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.830 -3.034 5.403 1.00 0.00 H new ATOM 805 N GLY A 54 -14.730 -2.358 -0.400 1.00 0.00 N ATOM 806 CA GLY A 54 -15.418 -1.413 -1.286 1.00 0.00 C ATOM 807 C GLY A 54 -14.859 -1.430 -2.707 1.00 0.00 C ATOM 808 O GLY A 54 -15.078 -0.481 -3.462 1.00 0.00 O ATOM 0 H GLY A 54 -15.095 -3.310 -0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.481 -1.654 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.330 -0.407 -0.877 1.00 0.00 H new ATOM 812 N ALA A 55 -14.118 -2.483 -3.075 1.00 0.00 N ATOM 813 CA ALA A 55 -13.523 -2.556 -4.421 1.00 0.00 C ATOM 814 C ALA A 55 -13.930 -3.827 -5.162 1.00 0.00 C ATOM 815 O ALA A 55 -14.352 -4.820 -4.570 1.00 0.00 O ATOM 816 CB ALA A 55 -11.996 -2.487 -4.318 1.00 0.00 C ATOM 0 H ALA A 55 -13.917 -3.283 -2.475 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.899 -1.706 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.561 -2.541 -5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.705 -1.548 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.634 -3.322 -3.718 1.00 0.00 H new ATOM 822 N THR A 56 -13.743 -3.767 -6.479 1.00 0.00 N ATOM 823 CA THR A 56 -14.011 -4.863 -7.400 1.00 0.00 C ATOM 824 C THR A 56 -12.756 -5.704 -7.581 1.00 0.00 C ATOM 825 O THR A 56 -11.645 -5.256 -7.298 1.00 0.00 O ATOM 826 CB THR A 56 -14.403 -4.276 -8.759 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.288 -3.595 -9.319 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.561 -3.294 -8.574 1.00 0.00 C ATOM 0 H THR A 56 -13.391 -2.931 -6.945 1.00 0.00 H new ATOM 0 HA THR A 56 -14.813 -5.484 -7.001 1.00 0.00 H new ATOM 0 HB THR A 56 -14.711 -5.079 -9.428 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.355 -2.638 -9.119 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.841 -2.875 -9.541 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.415 -3.816 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.253 -2.490 -7.906 1.00 0.00 H new ATOM 836 N LYS A 57 -12.950 -6.950 -8.014 1.00 0.00 N ATOM 837 CA LYS A 57 -11.840 -7.879 -8.184 1.00 0.00 C ATOM 838 C LYS A 57 -10.782 -7.345 -9.147 1.00 0.00 C ATOM 839 O LYS A 57 -9.588 -7.493 -8.887 1.00 0.00 O ATOM 840 CB LYS A 57 -12.359 -9.220 -8.722 1.00 0.00 C ATOM 841 CG LYS A 57 -13.375 -9.859 -7.759 1.00 0.00 C ATOM 842 CD LYS A 57 -13.853 -11.186 -8.350 1.00 0.00 C ATOM 843 CE LYS A 57 -14.853 -11.839 -7.395 1.00 0.00 C ATOM 844 NZ LYS A 57 -16.062 -10.977 -7.271 1.00 0.00 N ATOM 0 H LYS A 57 -13.864 -7.336 -8.252 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.379 -8.008 -7.205 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.825 -9.067 -9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.522 -9.901 -8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.917 -10.024 -6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.221 -9.189 -7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.318 -11.017 -9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.004 -11.850 -8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.134 -12.825 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.395 -11.984 -6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.858 -11.545 -6.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.868 -10.200 -6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.305 -10.584 -8.203 1.00 0.00 H new ATOM 858 N GLU A 58 -11.190 -6.704 -10.238 1.00 0.00 N ATOM 859 CA GLU A 58 -10.222 -6.148 -11.180 1.00 0.00 C ATOM 860 C GLU A 58 -9.433 -5.020 -10.527 1.00 0.00 C ATOM 861 O GLU A 58 -8.230 -4.882 -10.752 1.00 0.00 O ATOM 862 CB GLU A 58 -10.944 -5.634 -12.436 1.00 0.00 C ATOM 863 CG GLU A 58 -11.274 -6.806 -13.371 1.00 0.00 C ATOM 864 CD GLU A 58 -12.059 -6.302 -14.579 1.00 0.00 C ATOM 865 OE1 GLU A 58 -12.552 -5.188 -14.516 1.00 0.00 O ATOM 866 OE2 GLU A 58 -12.156 -7.038 -15.546 1.00 0.00 O ATOM 0 H GLU A 58 -12.167 -6.558 -10.490 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.526 -6.935 -11.471 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.860 -5.116 -12.152 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.316 -4.910 -12.955 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.354 -7.290 -13.700 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.856 -7.557 -12.836 1.00 0.00 H new ATOM 873 N ASP A 59 -10.114 -4.223 -9.695 1.00 0.00 N ATOM 874 CA ASP A 59 -9.453 -3.129 -8.997 1.00 0.00 C ATOM 875 C ASP A 59 -8.412 -3.707 -8.048 1.00 0.00 C ATOM 876 O ASP A 59 -7.285 -3.220 -7.957 1.00 0.00 O ATOM 877 CB ASP A 59 -10.472 -2.313 -8.200 1.00 0.00 C ATOM 878 CG ASP A 59 -11.375 -1.529 -9.145 1.00 0.00 C ATOM 879 OD1 ASP A 59 -10.983 -1.336 -10.284 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.447 -1.134 -8.716 1.00 0.00 O ATOM 0 H ASP A 59 -11.110 -4.318 -9.494 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.975 -2.475 -9.726 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.073 -2.976 -7.578 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.955 -1.628 -7.528 1.00 0.00 H new ATOM 885 N LYS A 60 -8.819 -4.756 -7.343 1.00 0.00 N ATOM 886 CA LYS A 60 -7.931 -5.411 -6.394 1.00 0.00 C ATOM 887 C LYS A 60 -6.715 -6.020 -7.087 1.00 0.00 C ATOM 888 O LYS A 60 -5.605 -5.909 -6.567 1.00 0.00 O ATOM 889 CB LYS A 60 -8.673 -6.473 -5.586 1.00 0.00 C ATOM 890 CG LYS A 60 -9.620 -5.794 -4.596 1.00 0.00 C ATOM 891 CD LYS A 60 -10.571 -6.831 -3.994 1.00 0.00 C ATOM 892 CE LYS A 60 -9.784 -7.826 -3.137 1.00 0.00 C ATOM 893 NZ LYS A 60 -10.729 -8.592 -2.277 1.00 0.00 N ATOM 0 H LYS A 60 -9.750 -5.167 -7.410 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.574 -4.644 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.235 -7.126 -6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.961 -7.101 -5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.048 -5.310 -3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.190 -5.014 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.328 -6.334 -3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.097 -7.359 -4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.221 -8.507 -3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.059 -7.297 -2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.197 -9.269 -1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.247 -7.935 -1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.404 -9.108 -2.877 1.00 0.00 H new ATOM 907 N GLN A 61 -6.881 -6.628 -8.260 1.00 0.00 N ATOM 908 CA GLN A 61 -5.717 -7.178 -8.946 1.00 0.00 C ATOM 909 C GLN A 61 -4.797 -6.020 -9.310 1.00 0.00 C ATOM 910 O GLN A 61 -3.578 -6.121 -9.160 1.00 0.00 O ATOM 911 CB GLN A 61 -6.136 -7.941 -10.208 1.00 0.00 C ATOM 912 CG GLN A 61 -6.918 -9.201 -9.822 1.00 0.00 C ATOM 913 CD GLN A 61 -5.995 -10.222 -9.166 1.00 0.00 C ATOM 914 OE1 GLN A 61 -4.844 -10.376 -9.577 1.00 0.00 O ATOM 915 NE2 GLN A 61 -6.436 -10.937 -8.167 1.00 0.00 N ATOM 0 H GLN A 61 -7.773 -6.749 -8.739 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.202 -7.883 -8.294 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.750 -7.302 -10.843 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.254 -8.213 -10.788 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.726 -8.940 -9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.379 -9.636 -10.709 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.390 -10.807 -7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.827 -11.625 -7.725 1.00 0.00 H new ATOM 924 N ARG A 62 -5.379 -4.912 -9.794 1.00 0.00 N ATOM 925 CA ARG A 62 -4.576 -3.757 -10.173 1.00 0.00 C ATOM 926 C ARG A 62 -3.801 -3.251 -8.961 1.00 0.00 C ATOM 927 O ARG A 62 -2.605 -2.976 -9.051 1.00 0.00 O ATOM 928 CB ARG A 62 -5.459 -2.654 -10.773 1.00 0.00 C ATOM 929 CG ARG A 62 -4.608 -1.428 -11.130 1.00 0.00 C ATOM 930 CD ARG A 62 -5.483 -0.390 -11.835 1.00 0.00 C ATOM 931 NE ARG A 62 -5.968 -0.920 -13.104 1.00 0.00 N ATOM 932 CZ ARG A 62 -5.149 -1.094 -14.137 1.00 0.00 C ATOM 933 NH1 ARG A 62 -4.964 -0.126 -14.995 1.00 0.00 N ATOM 934 NH2 ARG A 62 -4.531 -2.233 -14.295 1.00 0.00 N ATOM 0 H ARG A 62 -6.384 -4.799 -9.928 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.861 -4.055 -10.940 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.964 -3.027 -11.664 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.235 -2.372 -10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.171 -0.999 -10.228 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.781 -1.721 -11.776 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.326 -0.121 -11.198 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.911 0.522 -12.008 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.954 -1.162 -13.201 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.448 0.764 -14.872 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.336 -0.260 -15.787 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.676 -2.989 -13.626 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.903 -2.367 -15.087 1.00 0.00 H new ATOM 948 N ILE A 63 -4.482 -3.139 -7.826 1.00 0.00 N ATOM 949 CA ILE A 63 -3.815 -2.675 -6.614 1.00 0.00 C ATOM 950 C ILE A 63 -2.669 -3.614 -6.246 1.00 0.00 C ATOM 951 O ILE A 63 -1.578 -3.156 -5.909 1.00 0.00 O ATOM 952 CB ILE A 63 -4.798 -2.525 -5.453 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.731 -1.340 -5.717 1.00 0.00 C ATOM 954 CG2 ILE A 63 -4.038 -2.282 -4.143 1.00 0.00 C ATOM 955 CD1 ILE A 63 -6.920 -1.406 -4.756 1.00 0.00 C ATOM 0 H ILE A 63 -5.473 -3.357 -7.719 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.401 -1.687 -6.815 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.380 -3.443 -5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.192 -0.402 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.082 -1.362 -6.749 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.749 -2.177 -3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.377 -3.126 -3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.447 -1.370 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.586 -0.563 -4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.463 -2.338 -4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.560 -1.364 -3.728 1.00 0.00 H new ATOM 967 N SER A 64 -2.893 -4.917 -6.347 1.00 0.00 N ATOM 968 CA SER A 64 -1.820 -5.856 -6.054 1.00 0.00 C ATOM 969 C SER A 64 -0.681 -5.562 -7.021 1.00 0.00 C ATOM 970 O SER A 64 0.476 -5.515 -6.606 1.00 0.00 O ATOM 971 CB SER A 64 -2.305 -7.296 -6.235 1.00 0.00 C ATOM 972 OG SER A 64 -1.252 -8.192 -5.903 1.00 0.00 O ATOM 0 H SER A 64 -3.780 -5.339 -6.621 1.00 0.00 H new ATOM 0 HA SER A 64 -1.489 -5.745 -5.021 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.171 -7.483 -5.600 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.624 -7.458 -7.265 1.00 0.00 H new ATOM 0 HG SER A 64 -1.560 -9.115 -6.016 1.00 0.00 H new ATOM 978 N GLU A 65 -0.981 -5.352 -8.316 1.00 0.00 N ATOM 979 CA GLU A 65 0.072 -5.057 -9.281 1.00 0.00 C ATOM 980 C GLU A 65 0.815 -3.777 -8.882 1.00 0.00 C ATOM 981 O GLU A 65 2.043 -3.728 -8.942 1.00 0.00 O ATOM 982 CB GLU A 65 -0.492 -4.946 -10.698 1.00 0.00 C ATOM 983 CG GLU A 65 -0.917 -6.332 -11.186 1.00 0.00 C ATOM 984 CD GLU A 65 -1.505 -6.236 -12.589 1.00 0.00 C ATOM 985 OE1 GLU A 65 -1.740 -5.125 -13.036 1.00 0.00 O ATOM 986 OE2 GLU A 65 -1.710 -7.274 -13.198 1.00 0.00 O ATOM 0 H GLU A 65 -1.924 -5.382 -8.704 1.00 0.00 H new ATOM 0 HA GLU A 65 0.782 -5.884 -9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.345 -4.267 -10.710 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.259 -4.527 -11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.059 -7.004 -11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.653 -6.757 -10.503 1.00 0.00 H new ATOM 993 N ILE A 66 0.079 -2.747 -8.474 1.00 0.00 N ATOM 994 CA ILE A 66 0.712 -1.488 -8.072 1.00 0.00 C ATOM 995 C ILE A 66 1.661 -1.707 -6.897 1.00 0.00 C ATOM 996 O ILE A 66 2.784 -1.205 -6.892 1.00 0.00 O ATOM 997 CB ILE A 66 -0.359 -0.451 -7.693 1.00 0.00 C ATOM 998 CG1 ILE A 66 -1.107 -0.016 -8.958 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.309 0.776 -7.058 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.335 0.816 -8.578 1.00 0.00 C ATOM 0 H ILE A 66 -0.939 -2.754 -8.412 1.00 0.00 H new ATOM 0 HA ILE A 66 1.289 -1.114 -8.918 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.055 -0.894 -6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.446 0.567 -9.599 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.413 -0.892 -9.529 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.453 1.508 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.850 0.473 -6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.005 1.220 -7.769 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.861 1.122 -9.482 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.001 0.219 -7.955 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.018 1.701 -8.026 1.00 0.00 H new ATOM 1012 N LEU A 67 1.202 -2.456 -5.912 1.00 0.00 N ATOM 1013 CA LEU A 67 2.024 -2.726 -4.755 1.00 0.00 C ATOM 1014 C LEU A 67 3.289 -3.439 -5.201 1.00 0.00 C ATOM 1015 O LEU A 67 4.384 -3.132 -4.730 1.00 0.00 O ATOM 1016 CB LEU A 67 1.255 -3.600 -3.746 1.00 0.00 C ATOM 1017 CG LEU A 67 2.187 -4.137 -2.629 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.663 -2.995 -1.711 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.410 -5.170 -1.799 1.00 0.00 C ATOM 0 H LEU A 67 0.276 -2.882 -5.892 1.00 0.00 H new ATOM 0 HA LEU A 67 2.284 -1.786 -4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.449 -3.018 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.792 -4.437 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 67 3.065 -4.594 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.315 -3.399 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.211 -2.259 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.800 -2.518 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.052 -5.558 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.534 -4.696 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.092 -5.990 -2.443 1.00 0.00 H new ATOM 1031 N GLN A 68 3.140 -4.381 -6.121 1.00 0.00 N ATOM 1032 CA GLN A 68 4.294 -5.103 -6.620 1.00 0.00 C ATOM 1033 C GLN A 68 5.272 -4.138 -7.299 1.00 0.00 C ATOM 1034 O GLN A 68 6.463 -4.143 -6.986 1.00 0.00 O ATOM 1035 CB GLN A 68 3.863 -6.197 -7.599 1.00 0.00 C ATOM 1036 CG GLN A 68 5.095 -6.950 -8.106 1.00 0.00 C ATOM 1037 CD GLN A 68 4.661 -8.177 -8.901 1.00 0.00 C ATOM 1038 OE1 GLN A 68 3.482 -8.533 -8.898 1.00 0.00 O ATOM 1039 NE2 GLN A 68 5.547 -8.859 -9.573 1.00 0.00 N ATOM 0 H GLN A 68 2.247 -4.658 -6.529 1.00 0.00 H new ATOM 0 HA GLN A 68 4.796 -5.575 -5.776 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.179 -6.889 -7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.324 -5.756 -8.437 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.700 -6.295 -8.733 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.719 -7.252 -7.265 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.523 -8.564 -9.575 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.263 -9.687 -10.096 1.00 0.00 H new ATOM 1048 N GLU A 69 4.787 -3.329 -8.244 1.00 0.00 N ATOM 1049 CA GLU A 69 5.659 -2.397 -8.962 1.00 0.00 C ATOM 1050 C GLU A 69 6.339 -1.389 -8.036 1.00 0.00 C ATOM 1051 O GLU A 69 7.536 -1.137 -8.167 1.00 0.00 O ATOM 1052 CB GLU A 69 4.846 -1.650 -10.023 1.00 0.00 C ATOM 1053 CG GLU A 69 4.452 -2.620 -11.140 1.00 0.00 C ATOM 1054 CD GLU A 69 3.630 -1.894 -12.200 1.00 0.00 C ATOM 1055 OE1 GLU A 69 3.235 -0.768 -11.948 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.405 -2.477 -13.248 1.00 0.00 O ATOM 0 H GLU A 69 3.808 -3.300 -8.527 1.00 0.00 H new ATOM 0 HA GLU A 69 6.447 -2.988 -9.428 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.954 -1.215 -9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.431 -0.826 -10.432 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.346 -3.048 -11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.876 -3.448 -10.727 1.00 0.00 H new ATOM 1063 N THR A 70 5.588 -0.808 -7.109 1.00 0.00 N ATOM 1064 CA THR A 70 6.164 0.169 -6.188 1.00 0.00 C ATOM 1065 C THR A 70 7.277 -0.474 -5.385 1.00 0.00 C ATOM 1066 O THR A 70 8.361 0.081 -5.215 1.00 0.00 O ATOM 1067 CB THR A 70 5.085 0.689 -5.247 1.00 0.00 C ATOM 1068 OG1 THR A 70 4.047 1.296 -6.002 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.684 1.720 -4.292 1.00 0.00 C ATOM 0 H THR A 70 4.594 -0.991 -6.974 1.00 0.00 H new ATOM 0 HA THR A 70 6.572 1.002 -6.761 1.00 0.00 H new ATOM 0 HB THR A 70 4.680 -0.144 -4.673 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.485 0.601 -6.404 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.908 2.089 -3.621 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.479 1.256 -3.708 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.094 2.552 -4.865 1.00 0.00 H new ATOM 1077 N TRP A 71 6.958 -1.654 -4.882 1.00 0.00 N ATOM 1078 CA TRP A 71 7.874 -2.422 -4.065 1.00 0.00 C ATOM 1079 C TRP A 71 9.141 -2.737 -4.853 1.00 0.00 C ATOM 1080 O TRP A 71 10.240 -2.672 -4.302 1.00 0.00 O ATOM 1081 CB TRP A 71 7.109 -3.664 -3.596 1.00 0.00 C ATOM 1082 CG TRP A 71 7.875 -4.468 -2.583 1.00 0.00 C ATOM 1083 CD1 TRP A 71 8.068 -5.804 -2.673 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.508 -4.051 -1.321 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.807 -6.230 -1.587 1.00 0.00 N ATOM 1086 CE2 TRP A 71 9.102 -5.193 -0.726 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.644 -2.816 -0.642 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.797 -5.117 0.482 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.340 -2.743 0.576 1.00 0.00 C ATOM 1090 CH2 TRP A 71 9.917 -3.889 1.134 1.00 0.00 C ATOM 0 H TRP A 71 6.055 -2.105 -5.030 1.00 0.00 H new ATOM 0 HA TRP A 71 8.215 -1.871 -3.188 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.156 -3.358 -3.165 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.882 -4.293 -4.457 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.702 -6.437 -3.468 1.00 0.00 H new ATOM 0 HE1 TRP A 71 9.100 -7.196 -1.439 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.209 -1.922 -1.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.240 -6.004 0.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.430 -1.795 1.086 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.455 -3.823 2.068 1.00 0.00 H new ATOM 1101 N GLU A 72 9.011 -3.077 -6.127 1.00 0.00 N ATOM 1102 CA GLU A 72 10.176 -3.398 -6.954 1.00 0.00 C ATOM 1103 C GLU A 72 10.973 -2.146 -7.325 1.00 0.00 C ATOM 1104 O GLU A 72 12.116 -2.269 -7.767 1.00 0.00 O ATOM 1105 CB GLU A 72 9.755 -4.143 -8.223 1.00 0.00 C ATOM 1106 CG GLU A 72 9.262 -5.547 -7.863 1.00 0.00 C ATOM 1107 CD GLU A 72 8.844 -6.287 -9.128 1.00 0.00 C ATOM 1108 OE1 GLU A 72 8.677 -5.633 -10.145 1.00 0.00 O ATOM 1109 OE2 GLU A 72 8.697 -7.497 -9.064 1.00 0.00 O ATOM 0 H GLU A 72 8.117 -3.139 -6.613 1.00 0.00 H new ATOM 0 HA GLU A 72 10.821 -4.045 -6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.966 -3.591 -8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.597 -4.209 -8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.050 -6.099 -7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.420 -5.481 -7.174 1.00 0.00 H new ATOM 1116 N SER A 73 10.393 -0.943 -7.176 1.00 0.00 N ATOM 1117 CA SER A 73 11.116 0.289 -7.544 1.00 0.00 C ATOM 1118 C SER A 73 11.537 1.068 -6.302 1.00 0.00 C ATOM 1119 O SER A 73 11.709 2.286 -6.347 1.00 0.00 O ATOM 1120 CB SER A 73 10.229 1.164 -8.429 1.00 0.00 C ATOM 1121 OG SER A 73 10.042 0.525 -9.685 1.00 0.00 O ATOM 0 H SER A 73 9.451 -0.797 -6.813 1.00 0.00 H new ATOM 0 HA SER A 73 12.015 0.008 -8.092 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.266 1.331 -7.946 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.689 2.142 -8.571 1.00 0.00 H new ATOM 0 HG SER A 73 9.472 1.083 -10.254 1.00 0.00 H new ATOM 1127 N ALA A 74 11.633 0.363 -5.183 1.00 0.00 N ATOM 1128 CA ALA A 74 11.954 0.956 -3.888 1.00 0.00 C ATOM 1129 C ALA A 74 13.220 1.821 -3.834 1.00 0.00 C ATOM 1130 O ALA A 74 13.286 2.763 -3.056 1.00 0.00 O ATOM 1131 CB ALA A 74 12.105 -0.178 -2.873 1.00 0.00 C ATOM 0 H ALA A 74 11.489 -0.646 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 74 11.132 1.638 -3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.346 0.239 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.171 -0.736 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.906 -0.846 -3.190 1.00 0.00 H new ATOM 1137 N ASP A 75 14.225 1.494 -4.630 1.00 0.00 N ATOM 1138 CA ASP A 75 15.490 2.247 -4.614 1.00 0.00 C ATOM 1139 C ASP A 75 15.360 3.671 -5.179 1.00 0.00 C ATOM 1140 O ASP A 75 16.222 4.512 -4.928 1.00 0.00 O ATOM 1141 CB ASP A 75 16.535 1.483 -5.431 1.00 0.00 C ATOM 1142 CG ASP A 75 16.944 0.208 -4.699 1.00 0.00 C ATOM 1143 OD1 ASP A 75 16.800 0.171 -3.489 1.00 0.00 O ATOM 1144 OD2 ASP A 75 17.393 -0.712 -5.361 1.00 0.00 O ATOM 0 H ASP A 75 14.201 0.720 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 75 15.789 2.344 -3.570 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.130 1.234 -6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.409 2.112 -5.597 1.00 0.00 H new ATOM 1149 N ASP A 76 14.323 3.938 -5.960 1.00 0.00 N ATOM 1150 CA ASP A 76 14.153 5.268 -6.568 1.00 0.00 C ATOM 1151 C ASP A 76 13.319 6.224 -5.702 1.00 0.00 C ATOM 1152 O ASP A 76 13.661 7.401 -5.583 1.00 0.00 O ATOM 1153 CB ASP A 76 13.481 5.105 -7.929 1.00 0.00 C ATOM 1154 CG ASP A 76 14.403 4.337 -8.868 1.00 0.00 C ATOM 1155 OD1 ASP A 76 15.607 4.450 -8.706 1.00 0.00 O ATOM 1156 OD2 ASP A 76 13.892 3.638 -9.728 1.00 0.00 O ATOM 0 H ASP A 76 13.590 3.267 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 76 15.144 5.711 -6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.536 4.574 -7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.249 6.083 -8.351 1.00 0.00 H new ATOM 1161 N TRP A 77 12.212 5.750 -5.147 1.00 0.00 N ATOM 1162 CA TRP A 77 11.337 6.628 -4.355 1.00 0.00 C ATOM 1163 C TRP A 77 11.652 6.639 -2.858 1.00 0.00 C ATOM 1164 O TRP A 77 11.235 7.558 -2.153 1.00 0.00 O ATOM 1165 CB TRP A 77 9.877 6.237 -4.557 1.00 0.00 C ATOM 1166 CG TRP A 77 9.552 4.991 -3.780 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.578 3.725 -4.281 1.00 0.00 C ATOM 1168 CD2 TRP A 77 9.148 4.859 -2.370 1.00 0.00 C ATOM 1169 NE1 TRP A 77 9.186 2.848 -3.297 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.917 3.485 -2.111 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.945 5.773 -1.292 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.500 3.032 -0.864 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.528 5.302 -0.044 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.302 3.943 0.166 1.00 0.00 C ATOM 0 H TRP A 77 11.896 4.783 -5.223 1.00 0.00 H new ATOM 0 HA TRP A 77 11.524 7.637 -4.722 1.00 0.00 H new ATOM 0 HB2 TRP A 77 9.229 7.052 -4.236 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.682 6.073 -5.617 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.861 3.454 -5.287 1.00 0.00 H new ATOM 0 HE1 TRP A 77 9.104 1.840 -3.433 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.114 6.829 -1.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.331 1.978 -0.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.379 5.999 0.767 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.971 3.596 1.134 1.00 0.00 H new ATOM 1185 N PHE A 78 12.383 5.652 -2.359 1.00 0.00 N ATOM 1186 CA PHE A 78 12.707 5.642 -0.930 1.00 0.00 C ATOM 1187 C PHE A 78 13.999 6.396 -0.680 1.00 0.00 C ATOM 1188 O PHE A 78 15.023 6.134 -1.312 1.00 0.00 O ATOM 1189 CB PHE A 78 12.802 4.212 -0.395 1.00 0.00 C ATOM 1190 CG PHE A 78 13.291 4.251 1.039 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.376 4.393 2.092 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.668 4.186 1.313 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.837 4.455 3.411 1.00 0.00 C ATOM 1194 CE2 PHE A 78 15.122 4.248 2.633 1.00 0.00 C ATOM 1195 CZ PHE A 78 14.207 4.381 3.682 1.00 0.00 C ATOM 0 H PHE A 78 12.755 4.869 -2.897 1.00 0.00 H new ATOM 0 HA PHE A 78 11.901 6.143 -0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.828 3.725 -0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.485 3.625 -1.009 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.318 4.454 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 78 15.376 4.088 0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.133 4.560 4.223 1.00 0.00 H new ATOM 0 HE2 PHE A 78 16.180 4.193 2.843 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.559 4.427 4.702 1.00 0.00 H new ATOM 1205 N VAL A 79 13.928 7.360 0.232 1.00 0.00 N ATOM 1206 CA VAL A 79 15.068 8.207 0.570 1.00 0.00 C ATOM 1207 C VAL A 79 15.286 8.185 2.084 1.00 0.00 C ATOM 1208 O VAL A 79 14.324 8.060 2.842 1.00 0.00 O ATOM 1209 CB VAL A 79 14.760 9.640 0.080 1.00 0.00 C ATOM 1210 CG1 VAL A 79 13.267 9.943 0.281 1.00 0.00 C ATOM 1211 CG2 VAL A 79 15.597 10.668 0.855 1.00 0.00 C ATOM 0 H VAL A 79 13.081 7.576 0.757 1.00 0.00 H new ATOM 0 HA VAL A 79 15.978 7.846 0.091 1.00 0.00 H new ATOM 0 HB VAL A 79 15.012 9.707 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.051 10.954 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 79 12.671 9.230 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.018 9.861 1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 79 15.366 11.671 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.363 10.601 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 79 16.657 10.463 0.703 1.00 0.00 H new ATOM 1221 N SER A 80 16.531 8.324 2.535 1.00 0.00 N ATOM 1222 CA SER A 80 16.819 8.333 3.975 1.00 0.00 C ATOM 1223 C SER A 80 17.847 9.416 4.289 1.00 0.00 C ATOM 1224 O SER A 80 18.852 9.551 3.592 1.00 0.00 O ATOM 1225 CB SER A 80 17.350 6.964 4.428 1.00 0.00 C ATOM 1226 OG SER A 80 16.308 6.003 4.318 1.00 0.00 O ATOM 0 H SER A 80 17.350 8.431 1.936 1.00 0.00 H new ATOM 0 HA SER A 80 15.895 8.543 4.514 1.00 0.00 H new ATOM 0 HB2 SER A 80 18.201 6.668 3.814 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.704 7.019 5.458 1.00 0.00 H new ATOM 0 HG SER A 80 16.007 5.952 3.387 1.00 0.00 H new ATOM 1232 N GLU A 81 17.588 10.183 5.348 1.00 0.00 N ATOM 1233 CA GLU A 81 18.501 11.250 5.748 1.00 0.00 C ATOM 1234 C GLU A 81 19.810 10.664 6.263 1.00 0.00 C ATOM 1235 O GLU A 81 19.910 10.452 7.461 1.00 0.00 O ATOM 1236 CB GLU A 81 17.865 12.108 6.847 1.00 0.00 C ATOM 1237 CG GLU A 81 16.585 12.768 6.327 1.00 0.00 C ATOM 1238 CD GLU A 81 15.962 13.619 7.430 1.00 0.00 C ATOM 1239 OE1 GLU A 81 16.302 13.400 8.582 1.00 0.00 O ATOM 1240 OE2 GLU A 81 15.150 14.471 7.109 1.00 0.00 O ATOM 1241 OXT GLU A 81 20.694 10.435 5.454 1.00 0.00 O ATOM 0 H GLU A 81 16.762 10.086 5.938 1.00 0.00 H new ATOM 0 HA GLU A 81 18.704 11.871 4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.637 11.490 7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.569 12.872 7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 81 16.810 13.388 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 81 15.878 12.006 5.999 1.00 0.00 H new TER 1248 GLU A 81