USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 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 151:sc= -0.306 (180deg=-1.61!) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.135 (180deg=-0.139) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.26) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 84:sc= 1.03 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -47:sc= 0.942 USER MOD Single : A 17 THR OG1 : rot 82:sc= -1.82! USER MOD Single : A 20 MET CE :methyl -149:sc= -2.22 (180deg=-4.94!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -2.59! C(o=-2.6!,f=-5.2!) USER MOD Single : A 26 GLN : amide:sc= -1.33 K(o=-1.3,f=-4.1!) USER MOD Single : A 27 ASN :FLIP amide:sc= -1.49 F(o=-3.9!,f=-1.5) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.634 F(o=-2.5,f=-0.63) USER MOD Single : A 30 ASN : amide:sc= 0.114 K(o=0.11,f=-4.8!) USER MOD Single : A 34 ASN : amide:sc= -3.97! C(o=-4!,f=-7.9!) USER MOD Single : A 36 CYS SG : rot -25:sc= 0.384 USER MOD Single : A 46 CYS SG : rot 180:sc= -0.549 USER MOD Single : A 50 MET CE :methyl -153:sc= -0.345 (180deg=-2.07!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.250 -1.272 -17.002 1.00 0.00 N ATOM 2 CA MET A 1 17.040 -1.368 -16.134 1.00 0.00 C ATOM 3 C MET A 1 17.329 -0.780 -14.743 1.00 0.00 C ATOM 4 O MET A 1 16.519 -0.870 -13.842 1.00 0.00 O ATOM 5 CB MET A 1 16.745 -2.863 -16.050 1.00 0.00 C ATOM 6 CG MET A 1 15.461 -3.114 -15.266 1.00 0.00 C ATOM 7 SD MET A 1 14.077 -2.257 -16.062 1.00 0.00 S ATOM 8 CE MET A 1 14.158 -3.114 -17.655 1.00 0.00 C ATOM 0 H1 MET A 1 18.044 -1.689 -17.932 1.00 0.00 H new ATOM 0 H2 MET A 1 18.514 -0.273 -17.121 1.00 0.00 H new ATOM 0 H3 MET A 1 19.037 -1.787 -16.559 1.00 0.00 H new ATOM 0 HA MET A 1 16.193 -0.808 -16.531 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.651 -3.278 -17.054 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.577 -3.377 -15.569 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.258 -4.184 -15.216 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.576 -2.763 -14.240 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.164 -3.150 -18.100 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.835 -2.579 -18.322 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.525 -4.129 -17.504 1.00 0.00 H new ATOM 20 N ASP A 2 18.473 -0.173 -14.561 1.00 0.00 N ATOM 21 CA ASP A 2 18.797 0.420 -13.231 1.00 0.00 C ATOM 22 C ASP A 2 18.971 1.941 -13.344 1.00 0.00 C ATOM 23 O ASP A 2 19.122 2.629 -12.354 1.00 0.00 O ATOM 24 CB ASP A 2 20.111 -0.240 -12.813 1.00 0.00 C ATOM 25 CG ASP A 2 20.562 0.322 -11.464 1.00 0.00 C ATOM 26 OD1 ASP A 2 19.818 0.182 -10.508 1.00 0.00 O ATOM 27 OD2 ASP A 2 21.645 0.881 -11.409 1.00 0.00 O ATOM 0 H ASP A 2 19.194 -0.063 -15.274 1.00 0.00 H new ATOM 0 HA ASP A 2 18.003 0.250 -12.504 1.00 0.00 H new ATOM 0 HB2 ASP A 2 19.981 -1.320 -12.743 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.876 -0.059 -13.568 1.00 0.00 H new ATOM 32 N LYS A 3 18.949 2.472 -14.538 1.00 0.00 N ATOM 33 CA LYS A 3 19.109 3.937 -14.708 1.00 0.00 C ATOM 34 C LYS A 3 17.751 4.579 -15.003 1.00 0.00 C ATOM 35 O LYS A 3 17.476 5.690 -14.594 1.00 0.00 O ATOM 36 CB LYS A 3 20.051 4.071 -15.894 1.00 0.00 C ATOM 37 CG LYS A 3 20.166 5.537 -16.287 1.00 0.00 C ATOM 38 CD LYS A 3 21.085 5.674 -17.504 1.00 0.00 C ATOM 39 CE LYS A 3 22.471 5.122 -17.166 1.00 0.00 C ATOM 40 NZ LYS A 3 23.275 5.319 -18.403 1.00 0.00 N ATOM 0 H LYS A 3 18.826 1.947 -15.404 1.00 0.00 H new ATOM 0 HA LYS A 3 19.498 4.434 -13.819 1.00 0.00 H new ATOM 0 HB2 LYS A 3 21.033 3.674 -15.639 1.00 0.00 H new ATOM 0 HB3 LYS A 3 19.679 3.486 -16.735 1.00 0.00 H new ATOM 0 HG2 LYS A 3 19.180 5.940 -16.517 1.00 0.00 H new ATOM 0 HG3 LYS A 3 20.562 6.117 -15.453 1.00 0.00 H new ATOM 0 HD2 LYS A 3 20.665 5.134 -18.352 1.00 0.00 H new ATOM 0 HD3 LYS A 3 21.161 6.721 -17.799 1.00 0.00 H new ATOM 0 HE2 LYS A 3 22.911 5.651 -16.321 1.00 0.00 H new ATOM 0 HE3 LYS A 3 22.420 4.068 -16.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 24.240 4.964 -18.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 22.836 4.799 -19.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 23.311 6.332 -18.636 1.00 0.00 H new ATOM 54 N VAL A 4 16.899 3.886 -15.707 1.00 0.00 N ATOM 55 CA VAL A 4 15.559 4.454 -16.024 1.00 0.00 C ATOM 56 C VAL A 4 14.760 4.658 -14.736 1.00 0.00 C ATOM 57 O VAL A 4 14.218 5.718 -14.491 1.00 0.00 O ATOM 58 CB VAL A 4 14.893 3.418 -16.916 1.00 0.00 C ATOM 59 CG1 VAL A 4 13.487 3.892 -17.291 1.00 0.00 C ATOM 60 CG2 VAL A 4 15.724 3.227 -18.185 1.00 0.00 C ATOM 0 H VAL A 4 17.073 2.951 -16.076 1.00 0.00 H new ATOM 0 HA VAL A 4 15.623 5.426 -16.514 1.00 0.00 H new ATOM 0 HB VAL A 4 14.824 2.470 -16.382 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.011 3.149 -17.930 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.894 4.025 -16.386 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.553 4.840 -17.824 1.00 0.00 H new ATOM 0 HG21 VAL A 4 15.247 2.484 -18.824 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.795 4.174 -18.720 1.00 0.00 H new ATOM 0 HG23 VAL A 4 16.724 2.886 -17.917 1.00 0.00 H new ATOM 70 N GLN A 5 14.686 3.654 -13.904 1.00 0.00 N ATOM 71 CA GLN A 5 13.928 3.798 -12.631 1.00 0.00 C ATOM 72 C GLN A 5 14.452 5.007 -11.854 1.00 0.00 C ATOM 73 O GLN A 5 13.711 5.698 -11.183 1.00 0.00 O ATOM 74 CB GLN A 5 14.192 2.503 -11.862 1.00 0.00 C ATOM 75 CG GLN A 5 15.692 2.367 -11.589 1.00 0.00 C ATOM 76 CD GLN A 5 15.957 1.066 -10.830 1.00 0.00 C ATOM 77 OE1 GLN A 5 15.655 -0.006 -11.316 1.00 0.00 O ATOM 78 NE2 GLN A 5 16.510 1.114 -9.650 1.00 0.00 N ATOM 0 H GLN A 5 15.118 2.742 -14.052 1.00 0.00 H new ATOM 0 HA GLN A 5 12.862 3.958 -12.793 1.00 0.00 H new ATOM 0 HB2 GLN A 5 13.640 2.507 -10.922 1.00 0.00 H new ATOM 0 HB3 GLN A 5 13.837 1.648 -12.437 1.00 0.00 H new ATOM 0 HG2 GLN A 5 16.245 2.372 -12.528 1.00 0.00 H new ATOM 0 HG3 GLN A 5 16.045 3.218 -11.007 1.00 0.00 H new ATOM 0 HE21 GLN A 5 16.764 2.014 -9.242 1.00 0.00 H new ATOM 0 HE22 GLN A 5 16.689 0.252 -9.135 1.00 0.00 H new ATOM 87 N TYR A 6 15.729 5.268 -11.944 1.00 0.00 N ATOM 88 CA TYR A 6 16.308 6.432 -11.221 1.00 0.00 C ATOM 89 C TYR A 6 15.871 7.733 -11.901 1.00 0.00 C ATOM 90 O TYR A 6 15.263 8.590 -11.291 1.00 0.00 O ATOM 91 CB TYR A 6 17.829 6.251 -11.334 1.00 0.00 C ATOM 92 CG TYR A 6 18.579 7.336 -10.569 1.00 0.00 C ATOM 93 CD1 TYR A 6 17.898 8.303 -9.804 1.00 0.00 C ATOM 94 CD2 TYR A 6 19.980 7.361 -10.625 1.00 0.00 C ATOM 95 CE1 TYR A 6 18.616 9.282 -9.110 1.00 0.00 C ATOM 96 CE2 TYR A 6 20.695 8.344 -9.928 1.00 0.00 C ATOM 97 CZ TYR A 6 20.014 9.302 -9.172 1.00 0.00 C ATOM 98 OH TYR A 6 20.721 10.269 -8.485 1.00 0.00 O ATOM 0 H TYR A 6 16.396 4.722 -12.489 1.00 0.00 H new ATOM 0 HA TYR A 6 15.981 6.485 -10.182 1.00 0.00 H new ATOM 0 HB2 TYR A 6 18.110 5.271 -10.947 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.122 6.275 -12.383 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.819 8.288 -9.753 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.509 6.621 -11.207 1.00 0.00 H new ATOM 0 HE1 TYR A 6 18.091 10.023 -8.526 1.00 0.00 H new ATOM 0 HE2 TYR A 6 21.774 8.361 -9.975 1.00 0.00 H new ATOM 0 HH TYR A 6 21.681 10.140 -8.633 1.00 0.00 H new ATOM 108 N LEU A 7 16.175 7.881 -13.160 1.00 0.00 N ATOM 109 CA LEU A 7 15.776 9.124 -13.882 1.00 0.00 C ATOM 110 C LEU A 7 14.260 9.324 -13.792 1.00 0.00 C ATOM 111 O LEU A 7 13.771 10.436 -13.755 1.00 0.00 O ATOM 112 CB LEU A 7 16.198 8.896 -15.335 1.00 0.00 C ATOM 113 CG LEU A 7 17.716 8.717 -15.413 1.00 0.00 C ATOM 114 CD1 LEU A 7 18.124 8.475 -16.869 1.00 0.00 C ATOM 115 CD2 LEU A 7 18.407 9.980 -14.894 1.00 0.00 C ATOM 0 H LEU A 7 16.682 7.196 -13.721 1.00 0.00 H new ATOM 0 HA LEU A 7 16.242 10.013 -13.457 1.00 0.00 H new ATOM 0 HB2 LEU A 7 15.698 8.014 -15.734 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.891 9.742 -15.949 1.00 0.00 H new ATOM 0 HG LEU A 7 18.014 7.864 -14.803 1.00 0.00 H new ATOM 0 HD11 LEU A 7 19.205 8.347 -16.928 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.632 7.576 -17.240 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.826 9.329 -17.477 1.00 0.00 H new ATOM 0 HD21 LEU A 7 19.488 9.852 -14.950 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.111 10.834 -15.504 1.00 0.00 H new ATOM 0 HD23 LEU A 7 18.115 10.155 -13.858 1.00 0.00 H new ATOM 127 N THR A 8 13.516 8.252 -13.764 1.00 0.00 N ATOM 128 CA THR A 8 12.032 8.371 -13.685 1.00 0.00 C ATOM 129 C THR A 8 11.603 8.882 -12.308 1.00 0.00 C ATOM 130 O THR A 8 10.809 9.794 -12.195 1.00 0.00 O ATOM 131 CB THR A 8 11.516 6.951 -13.904 1.00 0.00 C ATOM 132 OG1 THR A 8 11.958 6.479 -15.169 1.00 0.00 O ATOM 133 CG2 THR A 8 9.987 6.947 -13.862 1.00 0.00 C ATOM 0 H THR A 8 13.873 7.297 -13.792 1.00 0.00 H new ATOM 0 HA THR A 8 11.639 9.075 -14.418 1.00 0.00 H new ATOM 0 HB THR A 8 11.899 6.300 -13.118 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.864 6.115 -15.084 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.621 5.932 -14.019 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.649 7.309 -12.891 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.600 7.597 -14.646 1.00 0.00 H new ATOM 141 N ARG A 9 12.120 8.300 -11.256 1.00 0.00 N ATOM 142 CA ARG A 9 11.736 8.753 -9.886 1.00 0.00 C ATOM 143 C ARG A 9 11.869 10.272 -9.783 1.00 0.00 C ATOM 144 O ARG A 9 11.111 10.929 -9.099 1.00 0.00 O ATOM 145 CB ARG A 9 12.714 8.057 -8.949 1.00 0.00 C ATOM 146 CG ARG A 9 12.370 8.393 -7.496 1.00 0.00 C ATOM 147 CD ARG A 9 13.345 7.673 -6.559 1.00 0.00 C ATOM 148 NE ARG A 9 12.901 8.028 -5.179 1.00 0.00 N ATOM 149 CZ ARG A 9 11.713 7.683 -4.760 1.00 0.00 C ATOM 150 NH1 ARG A 9 11.461 6.437 -4.461 1.00 0.00 N ATOM 151 NH2 ARG A 9 10.775 8.584 -4.644 1.00 0.00 N ATOM 0 H ARG A 9 12.790 7.532 -11.287 1.00 0.00 H new ATOM 0 HA ARG A 9 10.703 8.508 -9.640 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.673 6.979 -9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.733 8.372 -9.173 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.426 9.470 -7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.346 8.091 -7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.317 6.595 -6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.371 7.995 -6.737 1.00 0.00 H new ATOM 0 HE ARG A 9 13.528 8.542 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.192 5.732 -4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.533 6.169 -4.134 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.970 9.557 -4.881 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.847 8.315 -4.317 1.00 0.00 H new ATOM 165 N SER A 10 12.820 10.831 -10.476 1.00 0.00 N ATOM 166 CA SER A 10 12.998 12.303 -10.441 1.00 0.00 C ATOM 167 C SER A 10 11.963 12.970 -11.349 1.00 0.00 C ATOM 168 O SER A 10 11.609 14.118 -11.167 1.00 0.00 O ATOM 169 CB SER A 10 14.407 12.545 -10.959 1.00 0.00 C ATOM 170 OG SER A 10 14.662 13.944 -11.000 1.00 0.00 O ATOM 0 H SER A 10 13.482 10.328 -11.066 1.00 0.00 H new ATOM 0 HA SER A 10 12.862 12.717 -9.442 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.133 12.051 -10.314 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.519 12.114 -11.954 1.00 0.00 H new ATOM 0 HG SER A 10 15.570 14.101 -11.332 1.00 0.00 H new ATOM 176 N ALA A 11 11.474 12.253 -12.326 1.00 0.00 N ATOM 177 CA ALA A 11 10.463 12.838 -13.245 1.00 0.00 C ATOM 178 C ALA A 11 9.070 12.763 -12.614 1.00 0.00 C ATOM 179 O ALA A 11 8.349 13.740 -12.560 1.00 0.00 O ATOM 180 CB ALA A 11 10.528 11.977 -14.506 1.00 0.00 C ATOM 0 H ALA A 11 11.733 11.287 -12.525 1.00 0.00 H new ATOM 0 HA ALA A 11 10.658 13.889 -13.459 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.808 12.346 -15.236 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.531 12.026 -14.929 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.291 10.943 -14.254 1.00 0.00 H new ATOM 186 N ILE A 12 8.688 11.612 -12.133 1.00 0.00 N ATOM 187 CA ILE A 12 7.347 11.474 -11.501 1.00 0.00 C ATOM 188 C ILE A 12 7.237 12.441 -10.325 1.00 0.00 C ATOM 189 O ILE A 12 6.204 13.031 -10.085 1.00 0.00 O ATOM 190 CB ILE A 12 7.279 10.023 -11.018 1.00 0.00 C ATOM 191 CG1 ILE A 12 5.919 9.770 -10.361 1.00 0.00 C ATOM 192 CG2 ILE A 12 8.391 9.772 -9.998 1.00 0.00 C ATOM 193 CD1 ILE A 12 4.803 10.047 -11.369 1.00 0.00 C ATOM 0 H ILE A 12 9.248 10.760 -12.151 1.00 0.00 H new ATOM 0 HA ILE A 12 6.533 11.704 -12.188 1.00 0.00 H new ATOM 0 HB ILE A 12 7.406 9.350 -11.866 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.859 8.740 -10.011 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.801 10.411 -9.487 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.343 8.739 -9.654 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.360 9.955 -10.463 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.264 10.443 -9.149 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.836 9.866 -10.900 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.859 11.085 -11.698 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.918 9.387 -12.229 1.00 0.00 H new ATOM 205 N ARG A 13 8.307 12.618 -9.598 1.00 0.00 N ATOM 206 CA ARG A 13 8.278 13.562 -8.445 1.00 0.00 C ATOM 207 C ARG A 13 7.769 14.926 -8.907 1.00 0.00 C ATOM 208 O ARG A 13 7.268 15.709 -8.126 1.00 0.00 O ATOM 209 CB ARG A 13 9.733 13.658 -7.983 1.00 0.00 C ATOM 210 CG ARG A 13 9.841 14.650 -6.823 1.00 0.00 C ATOM 211 CD ARG A 13 11.307 14.787 -6.403 1.00 0.00 C ATOM 212 NE ARG A 13 11.695 13.438 -5.908 1.00 0.00 N ATOM 213 CZ ARG A 13 11.116 12.936 -4.851 1.00 0.00 C ATOM 214 NH1 ARG A 13 11.603 13.178 -3.664 1.00 0.00 N ATOM 215 NH2 ARG A 13 10.049 12.194 -4.979 1.00 0.00 N ATOM 0 H ARG A 13 9.200 12.150 -9.753 1.00 0.00 H new ATOM 0 HA ARG A 13 7.618 13.228 -7.644 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.091 12.677 -7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.367 13.980 -8.809 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.445 15.620 -7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.241 14.307 -5.980 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.931 15.094 -7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.426 15.542 -5.625 1.00 0.00 H new ATOM 0 HE ARG A 13 12.415 12.905 -6.396 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.435 13.759 -3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.151 12.786 -2.838 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.667 12.006 -5.906 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.598 11.803 -4.152 1.00 0.00 H new ATOM 229 N ARG A 14 7.887 15.216 -10.175 1.00 0.00 N ATOM 230 CA ARG A 14 7.398 16.530 -10.677 1.00 0.00 C ATOM 231 C ARG A 14 5.891 16.640 -10.435 1.00 0.00 C ATOM 232 O ARG A 14 5.388 17.673 -10.039 1.00 0.00 O ATOM 233 CB ARG A 14 7.706 16.537 -12.175 1.00 0.00 C ATOM 234 CG ARG A 14 9.220 16.412 -12.385 1.00 0.00 C ATOM 235 CD ARG A 14 9.560 16.211 -13.875 1.00 0.00 C ATOM 236 NE ARG A 14 9.289 17.510 -14.562 1.00 0.00 N ATOM 237 CZ ARG A 14 8.066 17.924 -14.748 1.00 0.00 C ATOM 238 NH1 ARG A 14 7.207 17.164 -15.366 1.00 0.00 N ATOM 239 NH2 ARG A 14 7.703 19.101 -14.314 1.00 0.00 N ATOM 0 H ARG A 14 8.298 14.604 -10.880 1.00 0.00 H new ATOM 0 HA ARG A 14 7.873 17.371 -10.172 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.190 15.712 -12.667 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.340 17.458 -12.628 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.717 17.308 -12.013 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.602 15.572 -11.805 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.603 15.920 -13.997 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.954 15.413 -14.305 1.00 0.00 H new ATOM 0 HE ARG A 14 10.069 18.080 -14.889 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.491 16.245 -15.705 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.251 17.488 -15.511 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.376 19.696 -13.830 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.747 19.425 -14.459 1.00 0.00 H new ATOM 253 N ALA A 15 5.171 15.577 -10.662 1.00 0.00 N ATOM 254 CA ALA A 15 3.704 15.606 -10.442 1.00 0.00 C ATOM 255 C ALA A 15 3.347 14.823 -9.174 1.00 0.00 C ATOM 256 O ALA A 15 2.287 14.994 -8.605 1.00 0.00 O ATOM 257 CB ALA A 15 3.100 14.937 -11.677 1.00 0.00 C ATOM 0 H ALA A 15 5.541 14.686 -10.992 1.00 0.00 H new ATOM 0 HA ALA A 15 3.326 16.620 -10.307 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.014 14.921 -11.587 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.382 15.497 -12.569 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.473 13.916 -11.757 1.00 0.00 H new ATOM 263 N SER A 16 4.224 13.961 -8.729 1.00 0.00 N ATOM 264 CA SER A 16 3.936 13.167 -7.506 1.00 0.00 C ATOM 265 C SER A 16 4.426 13.902 -6.254 1.00 0.00 C ATOM 266 O SER A 16 4.614 13.310 -5.212 1.00 0.00 O ATOM 267 CB SER A 16 4.698 11.863 -7.693 1.00 0.00 C ATOM 268 OG SER A 16 4.479 11.025 -6.567 1.00 0.00 O ATOM 0 H SER A 16 5.128 13.775 -9.163 1.00 0.00 H new ATOM 0 HA SER A 16 2.867 13.002 -7.370 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.367 11.362 -8.603 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.763 12.064 -7.809 1.00 0.00 H new ATOM 0 HG SER A 16 4.603 11.543 -5.745 1.00 0.00 H new ATOM 274 N THR A 17 4.633 15.186 -6.349 1.00 0.00 N ATOM 275 CA THR A 17 5.109 15.955 -5.169 1.00 0.00 C ATOM 276 C THR A 17 4.201 17.160 -4.899 1.00 0.00 C ATOM 277 O THR A 17 4.226 17.736 -3.830 1.00 0.00 O ATOM 278 CB THR A 17 6.521 16.416 -5.533 1.00 0.00 C ATOM 279 OG1 THR A 17 7.346 15.280 -5.741 1.00 0.00 O ATOM 280 CG2 THR A 17 7.093 17.266 -4.396 1.00 0.00 C ATOM 0 H THR A 17 4.492 15.736 -7.196 1.00 0.00 H new ATOM 0 HA THR A 17 5.098 15.350 -4.262 1.00 0.00 H new ATOM 0 HB THR A 17 6.486 17.013 -6.444 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.210 14.939 -6.650 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.099 17.594 -4.657 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.457 18.137 -4.238 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.130 16.673 -3.482 1.00 0.00 H new ATOM 288 N ILE A 18 3.388 17.541 -5.847 1.00 0.00 N ATOM 289 CA ILE A 18 2.481 18.694 -5.623 1.00 0.00 C ATOM 290 C ILE A 18 1.118 18.189 -5.139 1.00 0.00 C ATOM 291 O ILE A 18 0.343 18.921 -4.558 1.00 0.00 O ATOM 292 CB ILE A 18 2.357 19.385 -6.982 1.00 0.00 C ATOM 293 CG1 ILE A 18 1.454 20.612 -6.845 1.00 0.00 C ATOM 294 CG2 ILE A 18 1.746 18.417 -7.998 1.00 0.00 C ATOM 295 CD1 ILE A 18 2.061 21.585 -5.832 1.00 0.00 C ATOM 0 H ILE A 18 3.315 17.102 -6.765 1.00 0.00 H new ATOM 0 HA ILE A 18 2.858 19.380 -4.865 1.00 0.00 H new ATOM 0 HB ILE A 18 3.345 19.692 -7.324 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.340 21.102 -7.812 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.458 20.309 -6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.659 18.912 -8.965 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.386 17.540 -8.095 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.757 18.109 -7.658 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.417 22.459 -5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.152 21.092 -4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.048 21.898 -6.174 1.00 0.00 H new ATOM 307 N GLU A 19 0.827 16.934 -5.366 1.00 0.00 N ATOM 308 CA GLU A 19 -0.471 16.373 -4.913 1.00 0.00 C ATOM 309 C GLU A 19 -0.238 15.172 -3.988 1.00 0.00 C ATOM 310 O GLU A 19 -1.154 14.445 -3.657 1.00 0.00 O ATOM 311 CB GLU A 19 -1.187 15.933 -6.190 1.00 0.00 C ATOM 312 CG GLU A 19 -0.355 14.862 -6.901 1.00 0.00 C ATOM 313 CD GLU A 19 -1.088 14.398 -8.162 1.00 0.00 C ATOM 314 OE1 GLU A 19 -2.194 13.901 -8.030 1.00 0.00 O ATOM 315 OE2 GLU A 19 -0.531 14.548 -9.236 1.00 0.00 O ATOM 0 H GLU A 19 1.438 16.275 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.056 17.100 -4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.175 15.540 -5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.337 16.789 -6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.624 15.262 -7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.185 14.016 -6.234 1.00 0.00 H new ATOM 322 N MET A 20 0.982 14.959 -3.566 1.00 0.00 N ATOM 323 CA MET A 20 1.276 13.809 -2.664 1.00 0.00 C ATOM 324 C MET A 20 0.402 13.830 -1.398 1.00 0.00 C ATOM 325 O MET A 20 -0.095 12.797 -0.994 1.00 0.00 O ATOM 326 CB MET A 20 2.753 13.957 -2.295 1.00 0.00 C ATOM 327 CG MET A 20 3.151 12.831 -1.339 1.00 0.00 C ATOM 328 SD MET A 20 4.899 13.003 -0.900 1.00 0.00 S ATOM 329 CE MET A 20 5.568 12.858 -2.576 1.00 0.00 C ATOM 0 H MET A 20 1.788 15.535 -3.809 1.00 0.00 H new ATOM 0 HA MET A 20 1.061 12.861 -3.157 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.369 13.922 -3.193 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.927 14.926 -1.827 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.534 12.867 -0.441 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.976 11.863 -1.808 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.555 12.397 -2.535 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.904 12.240 -3.181 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.648 13.849 -3.023 1.00 0.00 H new ATOM 339 N PRO A 21 0.243 14.987 -0.788 1.00 0.00 N ATOM 340 CA PRO A 21 -0.573 15.062 0.449 1.00 0.00 C ATOM 341 C PRO A 21 -2.062 14.899 0.133 1.00 0.00 C ATOM 342 O PRO A 21 -2.807 14.323 0.900 1.00 0.00 O ATOM 343 CB PRO A 21 -0.271 16.450 1.003 1.00 0.00 C ATOM 344 CG PRO A 21 0.163 17.256 -0.172 1.00 0.00 C ATOM 345 CD PRO A 21 0.781 16.306 -1.168 1.00 0.00 C ATOM 0 HA PRO A 21 -0.337 14.270 1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.152 16.885 1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.510 16.409 1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.686 17.777 -0.615 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.882 18.017 0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.509 16.568 -2.191 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.869 16.323 -1.113 1.00 0.00 H new ATOM 353 N GLN A 22 -2.504 15.395 -0.988 1.00 0.00 N ATOM 354 CA GLN A 22 -3.947 15.251 -1.338 1.00 0.00 C ATOM 355 C GLN A 22 -4.182 13.973 -2.149 1.00 0.00 C ATOM 356 O GLN A 22 -5.304 13.589 -2.401 1.00 0.00 O ATOM 357 CB GLN A 22 -4.284 16.482 -2.168 1.00 0.00 C ATOM 358 CG GLN A 22 -4.059 17.746 -1.334 1.00 0.00 C ATOM 359 CD GLN A 22 -4.408 18.978 -2.174 1.00 0.00 C ATOM 360 OE1 GLN A 22 -3.818 19.208 -3.211 1.00 0.00 O ATOM 361 NE2 GLN A 22 -5.352 19.783 -1.768 1.00 0.00 N ATOM 0 H GLN A 22 -1.935 15.891 -1.674 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.574 15.176 -0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.662 16.510 -3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.321 16.435 -2.501 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.677 17.717 -0.436 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.021 17.798 -1.005 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.847 19.590 -0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.594 20.605 -2.321 1.00 0.00 H new ATOM 370 N GLN A 23 -3.133 13.308 -2.556 1.00 0.00 N ATOM 371 CA GLN A 23 -3.304 12.059 -3.339 1.00 0.00 C ATOM 372 C GLN A 23 -3.124 10.845 -2.426 1.00 0.00 C ATOM 373 O GLN A 23 -3.861 9.883 -2.503 1.00 0.00 O ATOM 374 CB GLN A 23 -2.217 12.116 -4.404 1.00 0.00 C ATOM 375 CG GLN A 23 -2.258 10.861 -5.283 1.00 0.00 C ATOM 376 CD GLN A 23 -3.606 10.772 -6.007 1.00 0.00 C ATOM 377 OE1 GLN A 23 -4.643 10.656 -5.385 1.00 0.00 O ATOM 378 NE2 GLN A 23 -3.633 10.823 -7.311 1.00 0.00 N ATOM 0 H GLN A 23 -2.166 13.580 -2.378 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.295 11.970 -3.784 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.352 13.004 -5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.239 12.203 -3.930 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.447 10.890 -6.010 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.106 9.973 -4.670 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.764 10.920 -7.836 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.523 10.766 -7.805 1.00 0.00 H new ATOM 387 N ALA A 24 -2.158 10.889 -1.550 1.00 0.00 N ATOM 388 CA ALA A 24 -1.947 9.746 -0.622 1.00 0.00 C ATOM 389 C ALA A 24 -3.139 9.640 0.331 1.00 0.00 C ATOM 390 O ALA A 24 -3.659 8.568 0.572 1.00 0.00 O ATOM 391 CB ALA A 24 -0.668 10.084 0.144 1.00 0.00 C ATOM 0 H ALA A 24 -1.507 11.666 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.859 8.791 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.445 9.285 0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.159 10.189 -0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.805 11.020 0.686 1.00 0.00 H new ATOM 397 N ARG A 25 -3.589 10.748 0.864 1.00 0.00 N ATOM 398 CA ARG A 25 -4.759 10.701 1.784 1.00 0.00 C ATOM 399 C ARG A 25 -5.932 10.025 1.073 1.00 0.00 C ATOM 400 O ARG A 25 -6.723 9.326 1.675 1.00 0.00 O ATOM 401 CB ARG A 25 -5.078 12.157 2.102 1.00 0.00 C ATOM 402 CG ARG A 25 -6.288 12.220 3.045 1.00 0.00 C ATOM 403 CD ARG A 25 -6.664 13.678 3.364 1.00 0.00 C ATOM 404 NE ARG A 25 -5.726 14.133 4.437 1.00 0.00 N ATOM 405 CZ ARG A 25 -4.451 14.259 4.202 1.00 0.00 C ATOM 406 NH1 ARG A 25 -4.012 15.276 3.512 1.00 0.00 N ATOM 407 NH2 ARG A 25 -3.613 13.369 4.658 1.00 0.00 N ATOM 0 H ARG A 25 -3.198 11.676 0.702 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.561 10.134 2.694 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.216 12.637 2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.290 12.703 1.183 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.137 11.714 2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.061 11.689 3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.573 14.305 2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.699 13.748 3.698 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.090 14.348 5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.667 15.972 3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.014 15.375 3.328 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.956 12.575 5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.615 13.467 4.474 1.00 0.00 H new ATOM 421 N GLN A 26 -6.032 10.218 -0.214 1.00 0.00 N ATOM 422 CA GLN A 26 -7.128 9.580 -0.987 1.00 0.00 C ATOM 423 C GLN A 26 -6.817 8.098 -1.187 1.00 0.00 C ATOM 424 O GLN A 26 -7.596 7.233 -0.840 1.00 0.00 O ATOM 425 CB GLN A 26 -7.138 10.310 -2.324 1.00 0.00 C ATOM 426 CG GLN A 26 -7.375 11.807 -2.101 1.00 0.00 C ATOM 427 CD GLN A 26 -8.771 12.040 -1.517 1.00 0.00 C ATOM 428 OE1 GLN A 26 -9.072 11.599 -0.426 1.00 0.00 O ATOM 429 NE2 GLN A 26 -9.644 12.723 -2.206 1.00 0.00 N ATOM 0 H GLN A 26 -5.396 10.795 -0.764 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.093 9.643 -0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.190 10.156 -2.839 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.919 9.901 -2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.619 12.206 -1.425 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.273 12.343 -3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.393 13.094 -3.122 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.577 12.886 -1.828 1.00 0.00 H new ATOM 438 N ASN A 27 -5.671 7.802 -1.737 1.00 0.00 N ATOM 439 CA ASN A 27 -5.293 6.379 -1.957 1.00 0.00 C ATOM 440 C ASN A 27 -5.254 5.619 -0.629 1.00 0.00 C ATOM 441 O ASN A 27 -5.586 4.451 -0.564 1.00 0.00 O ATOM 442 CB ASN A 27 -3.906 6.431 -2.578 1.00 0.00 C ATOM 443 CG ASN A 27 -3.997 7.038 -3.976 1.00 0.00 C ATOM 444 OD1 ASN A 27 -3.312 8.110 -4.251 1.00 0.00 O flip ATOM 445 ND2 ASN A 27 -4.694 6.527 -4.828 1.00 0.00 N flip ATOM 0 H ASN A 27 -4.980 8.486 -2.044 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.010 5.861 -2.594 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.239 7.026 -1.954 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.482 5.428 -2.632 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.230 5.687 -4.612 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.743 6.938 -5.760 1.00 0.00 H new ATOM 452 N LEU A 28 -4.852 6.269 0.428 1.00 0.00 N ATOM 453 CA LEU A 28 -4.793 5.579 1.750 1.00 0.00 C ATOM 454 C LEU A 28 -6.126 4.884 2.043 1.00 0.00 C ATOM 455 O LEU A 28 -6.180 3.893 2.741 1.00 0.00 O ATOM 456 CB LEU A 28 -4.530 6.682 2.762 1.00 0.00 C ATOM 457 CG LEU A 28 -4.410 6.076 4.161 1.00 0.00 C ATOM 458 CD1 LEU A 28 -3.254 5.073 4.185 1.00 0.00 C ATOM 459 CD2 LEU A 28 -4.142 7.187 5.178 1.00 0.00 C ATOM 0 H LEU A 28 -4.562 7.247 0.435 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.021 4.810 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.614 7.214 2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.340 7.411 2.739 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.339 5.566 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.168 4.641 5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.445 4.281 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.325 5.582 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.057 6.755 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.213 7.697 4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.965 7.902 5.162 1.00 0.00 H new ATOM 471 N GLN A 29 -7.200 5.399 1.509 1.00 0.00 N ATOM 472 CA GLN A 29 -8.526 4.771 1.750 1.00 0.00 C ATOM 473 C GLN A 29 -8.621 3.436 1.009 1.00 0.00 C ATOM 474 O GLN A 29 -8.841 2.399 1.603 1.00 0.00 O ATOM 475 CB GLN A 29 -9.539 5.765 1.197 1.00 0.00 C ATOM 476 CG GLN A 29 -9.415 7.095 1.947 1.00 0.00 C ATOM 477 CD GLN A 29 -9.805 6.930 3.424 1.00 0.00 C ATOM 478 OE1 GLN A 29 -10.334 5.812 3.855 1.00 0.00 O flip ATOM 479 NE2 GLN A 29 -9.650 7.853 4.200 1.00 0.00 N flip ATOM 0 H GLN A 29 -7.214 6.229 0.916 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.698 4.560 2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.368 5.919 0.132 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.549 5.368 1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.392 7.463 1.876 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.056 7.842 1.479 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.239 8.728 3.876 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.931 7.752 5.175 1.00 0.00 H new ATOM 488 N ASN A 30 -8.453 3.453 -0.287 1.00 0.00 N ATOM 489 CA ASN A 30 -8.530 2.184 -1.064 1.00 0.00 C ATOM 490 C ASN A 30 -7.555 1.154 -0.492 1.00 0.00 C ATOM 491 O ASN A 30 -7.813 -0.033 -0.500 1.00 0.00 O ATOM 492 CB ASN A 30 -8.134 2.564 -2.484 1.00 0.00 C ATOM 493 CG ASN A 30 -9.104 3.614 -3.026 1.00 0.00 C ATOM 494 OD1 ASN A 30 -9.226 4.689 -2.473 1.00 0.00 O ATOM 495 ND2 ASN A 30 -9.808 3.346 -4.092 1.00 0.00 N ATOM 0 H ASN A 30 -8.266 4.290 -0.839 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.523 1.736 -1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.116 2.954 -2.496 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.144 1.681 -3.123 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.460 4.039 -4.460 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.706 2.444 -4.557 1.00 0.00 H new ATOM 502 N LEU A 31 -6.437 1.600 0.010 1.00 0.00 N ATOM 503 CA LEU A 31 -5.448 0.649 0.587 1.00 0.00 C ATOM 504 C LEU A 31 -6.104 -0.184 1.691 1.00 0.00 C ATOM 505 O LEU A 31 -5.777 -1.336 1.894 1.00 0.00 O ATOM 506 CB LEU A 31 -4.346 1.529 1.159 1.00 0.00 C ATOM 507 CG LEU A 31 -3.252 0.654 1.773 1.00 0.00 C ATOM 508 CD1 LEU A 31 -2.667 -0.261 0.696 1.00 0.00 C ATOM 509 CD2 LEU A 31 -2.145 1.548 2.338 1.00 0.00 C ATOM 0 H LEU A 31 -6.166 2.583 0.045 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.063 -0.053 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.925 2.157 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.757 2.198 1.915 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.676 0.048 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.887 -0.885 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.455 -0.896 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.241 0.345 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.364 0.927 2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.721 2.152 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.561 2.202 3.104 1.00 0.00 H new ATOM 521 N PHE A 32 -7.028 0.396 2.407 1.00 0.00 N ATOM 522 CA PHE A 32 -7.707 -0.348 3.498 1.00 0.00 C ATOM 523 C PHE A 32 -8.690 -1.371 2.920 1.00 0.00 C ATOM 524 O PHE A 32 -8.531 -2.564 3.092 1.00 0.00 O ATOM 525 CB PHE A 32 -8.452 0.722 4.296 1.00 0.00 C ATOM 526 CG PHE A 32 -9.169 0.077 5.459 1.00 0.00 C ATOM 527 CD1 PHE A 32 -8.442 -0.623 6.428 1.00 0.00 C ATOM 528 CD2 PHE A 32 -10.561 0.179 5.567 1.00 0.00 C ATOM 529 CE1 PHE A 32 -9.105 -1.222 7.506 1.00 0.00 C ATOM 530 CE2 PHE A 32 -11.225 -0.420 6.645 1.00 0.00 C ATOM 531 CZ PHE A 32 -10.497 -1.121 7.614 1.00 0.00 C ATOM 0 H PHE A 32 -7.341 1.358 2.280 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.004 -0.906 4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.751 1.474 4.659 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.167 1.237 3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.368 -0.701 6.344 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.123 0.719 4.819 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.543 -1.762 8.254 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -12.299 -0.341 6.729 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.009 -1.584 8.445 1.00 0.00 H new ATOM 541 N ILE A 33 -9.706 -0.912 2.240 1.00 0.00 N ATOM 542 CA ILE A 33 -10.704 -1.854 1.652 1.00 0.00 C ATOM 543 C ILE A 33 -9.985 -2.906 0.798 1.00 0.00 C ATOM 544 O ILE A 33 -10.316 -4.076 0.832 1.00 0.00 O ATOM 545 CB ILE A 33 -11.623 -0.957 0.804 1.00 0.00 C ATOM 546 CG1 ILE A 33 -12.830 -1.752 0.270 1.00 0.00 C ATOM 547 CG2 ILE A 33 -10.837 -0.374 -0.373 1.00 0.00 C ATOM 548 CD1 ILE A 33 -12.391 -2.822 -0.737 1.00 0.00 C ATOM 0 H ILE A 33 -9.889 0.076 2.066 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.270 -2.408 2.401 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.991 -0.150 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.353 -2.225 1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -13.536 -1.070 -0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.493 0.260 -0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -10.004 0.219 0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.454 -1.185 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -13.265 -3.365 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -11.890 -2.345 -1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -11.705 -3.517 -0.253 1.00 0.00 H new ATOM 560 N ASN A 34 -9.009 -2.501 0.034 1.00 0.00 N ATOM 561 CA ASN A 34 -8.277 -3.480 -0.818 1.00 0.00 C ATOM 562 C ASN A 34 -7.548 -4.503 0.056 1.00 0.00 C ATOM 563 O ASN A 34 -7.674 -5.696 -0.131 1.00 0.00 O ATOM 564 CB ASN A 34 -7.274 -2.643 -1.613 1.00 0.00 C ATOM 565 CG ASN A 34 -6.463 -3.558 -2.530 1.00 0.00 C ATOM 566 OD1 ASN A 34 -5.783 -4.455 -2.068 1.00 0.00 O ATOM 567 ND2 ASN A 34 -6.504 -3.372 -3.821 1.00 0.00 N ATOM 0 H ASN A 34 -8.687 -1.536 -0.037 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.947 -4.040 -1.470 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.798 -1.891 -2.203 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.610 -2.109 -0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.967 -3.978 -4.441 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.073 -2.621 -4.210 1.00 0.00 H new ATOM 574 N PHE A 35 -6.784 -4.045 1.010 1.00 0.00 N ATOM 575 CA PHE A 35 -6.043 -4.988 1.898 1.00 0.00 C ATOM 576 C PHE A 35 -6.985 -6.062 2.447 1.00 0.00 C ATOM 577 O PHE A 35 -6.566 -7.142 2.812 1.00 0.00 O ATOM 578 CB PHE A 35 -5.504 -4.115 3.032 1.00 0.00 C ATOM 579 CG PHE A 35 -4.748 -4.976 4.017 1.00 0.00 C ATOM 580 CD1 PHE A 35 -3.630 -5.704 3.595 1.00 0.00 C ATOM 581 CD2 PHE A 35 -5.165 -5.044 5.351 1.00 0.00 C ATOM 582 CE1 PHE A 35 -2.929 -6.501 4.507 1.00 0.00 C ATOM 583 CE2 PHE A 35 -4.463 -5.841 6.264 1.00 0.00 C ATOM 584 CZ PHE A 35 -3.346 -6.570 5.842 1.00 0.00 C ATOM 0 H PHE A 35 -6.640 -3.056 1.214 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.247 -5.513 1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.848 -3.343 2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.326 -3.605 3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.308 -5.651 2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.028 -4.482 5.676 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.066 -7.063 4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.784 -5.893 7.294 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.805 -7.186 6.546 1.00 0.00 H new ATOM 594 N CYS A 36 -8.255 -5.773 2.512 1.00 0.00 N ATOM 595 CA CYS A 36 -9.218 -6.773 3.041 1.00 0.00 C ATOM 596 C CYS A 36 -9.838 -7.589 1.900 1.00 0.00 C ATOM 597 O CYS A 36 -10.459 -8.608 2.126 1.00 0.00 O ATOM 598 CB CYS A 36 -10.288 -5.950 3.760 1.00 0.00 C ATOM 599 SG CYS A 36 -11.529 -7.059 4.468 1.00 0.00 S ATOM 0 H CYS A 36 -8.666 -4.886 2.221 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.737 -7.490 3.706 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.832 -5.349 4.546 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -10.759 -5.258 3.062 1.00 0.00 H new ATOM 0 HG CYS A 36 -11.551 -8.171 3.795 1.00 0.00 H new ATOM 605 N LEU A 37 -9.687 -7.151 0.679 1.00 0.00 N ATOM 606 CA LEU A 37 -10.278 -7.905 -0.458 1.00 0.00 C ATOM 607 C LEU A 37 -9.279 -8.923 -1.015 1.00 0.00 C ATOM 608 O LEU A 37 -9.639 -10.035 -1.349 1.00 0.00 O ATOM 609 CB LEU A 37 -10.611 -6.849 -1.505 1.00 0.00 C ATOM 610 CG LEU A 37 -11.337 -7.513 -2.675 1.00 0.00 C ATOM 611 CD1 LEU A 37 -12.597 -8.223 -2.170 1.00 0.00 C ATOM 612 CD2 LEU A 37 -11.734 -6.442 -3.680 1.00 0.00 C ATOM 0 H LEU A 37 -9.180 -6.304 0.422 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.158 -8.472 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.236 -6.071 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.699 -6.366 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.678 -8.243 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.110 -8.694 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.318 -8.984 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.261 -7.497 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.253 -6.905 -4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.393 -5.719 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.840 -5.933 -4.042 1.00 0.00 H new ATOM 624 N ILE A 38 -8.029 -8.563 -1.111 1.00 0.00 N ATOM 625 CA ILE A 38 -7.022 -9.526 -1.639 1.00 0.00 C ATOM 626 C ILE A 38 -6.649 -10.528 -0.544 1.00 0.00 C ATOM 627 O ILE A 38 -6.548 -11.714 -0.779 1.00 0.00 O ATOM 628 CB ILE A 38 -5.811 -8.686 -2.057 1.00 0.00 C ATOM 629 CG1 ILE A 38 -6.135 -7.871 -3.318 1.00 0.00 C ATOM 630 CG2 ILE A 38 -4.613 -9.595 -2.350 1.00 0.00 C ATOM 631 CD1 ILE A 38 -7.183 -6.799 -3.017 1.00 0.00 C ATOM 0 H ILE A 38 -7.662 -7.648 -0.848 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.402 -10.099 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.568 -8.009 -1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.227 -7.402 -3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.502 -8.535 -4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.758 -8.987 -2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.361 -10.164 -1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.866 -10.282 -3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.397 -6.234 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.097 -7.274 -2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.803 -6.124 -2.250 1.00 0.00 H new ATOM 643 N LEU A 39 -6.447 -10.057 0.655 1.00 0.00 N ATOM 644 CA LEU A 39 -6.086 -10.967 1.772 1.00 0.00 C ATOM 645 C LEU A 39 -7.080 -12.132 1.830 1.00 0.00 C ATOM 646 O LEU A 39 -6.710 -13.269 2.046 1.00 0.00 O ATOM 647 CB LEU A 39 -6.195 -10.085 3.017 1.00 0.00 C ATOM 648 CG LEU A 39 -5.529 -10.771 4.207 1.00 0.00 C ATOM 649 CD1 LEU A 39 -5.494 -9.810 5.395 1.00 0.00 C ATOM 650 CD2 LEU A 39 -6.299 -12.035 4.595 1.00 0.00 C ATOM 0 H LEU A 39 -6.518 -9.072 0.909 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.095 -11.409 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.721 -9.121 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.243 -9.887 3.241 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.513 -11.050 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.019 -10.299 6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.927 -8.919 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.512 -9.525 5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.811 -12.512 5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.321 -11.770 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.314 -12.725 3.751 1.00 0.00 H new ATOM 662 N ILE A 40 -8.339 -11.850 1.640 1.00 0.00 N ATOM 663 CA ILE A 40 -9.356 -12.934 1.686 1.00 0.00 C ATOM 664 C ILE A 40 -9.459 -13.626 0.325 1.00 0.00 C ATOM 665 O ILE A 40 -9.624 -14.825 0.241 1.00 0.00 O ATOM 666 CB ILE A 40 -10.679 -12.248 2.047 1.00 0.00 C ATOM 667 CG1 ILE A 40 -11.096 -11.282 0.930 1.00 0.00 C ATOM 668 CG2 ILE A 40 -10.505 -11.468 3.351 1.00 0.00 C ATOM 669 CD1 ILE A 40 -12.419 -10.612 1.307 1.00 0.00 C ATOM 0 H ILE A 40 -8.706 -10.916 1.455 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.095 -13.703 2.413 1.00 0.00 H new ATOM 0 HB ILE A 40 -11.452 -13.007 2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -10.324 -10.528 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -11.204 -11.821 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -11.444 -10.979 3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.220 -12.153 4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.727 -10.715 3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -12.718 -9.925 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -13.188 -11.373 1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -12.295 -10.060 2.239 1.00 0.00 H new ATOM 681 N PHE A 41 -9.362 -12.881 -0.744 1.00 0.00 N ATOM 682 CA PHE A 41 -9.456 -13.502 -2.098 1.00 0.00 C ATOM 683 C PHE A 41 -8.477 -14.675 -2.210 1.00 0.00 C ATOM 684 O PHE A 41 -8.775 -15.690 -2.808 1.00 0.00 O ATOM 685 CB PHE A 41 -9.074 -12.390 -3.074 1.00 0.00 C ATOM 686 CG PHE A 41 -9.153 -12.911 -4.489 1.00 0.00 C ATOM 687 CD1 PHE A 41 -10.368 -13.391 -4.992 1.00 0.00 C ATOM 688 CD2 PHE A 41 -8.011 -12.913 -5.300 1.00 0.00 C ATOM 689 CE1 PHE A 41 -10.441 -13.875 -6.303 1.00 0.00 C ATOM 690 CE2 PHE A 41 -8.084 -13.396 -6.612 1.00 0.00 C ATOM 691 CZ PHE A 41 -9.299 -13.877 -7.113 1.00 0.00 C ATOM 0 H PHE A 41 -9.222 -11.871 -0.739 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.451 -13.897 -2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.743 -11.538 -2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.065 -12.036 -2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.249 -13.388 -4.368 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.074 -12.542 -4.913 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.378 -14.247 -6.690 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.203 -13.397 -7.237 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.356 -14.250 -8.125 1.00 0.00 H new ATOM 701 N LEU A 42 -7.313 -14.540 -1.641 1.00 0.00 N ATOM 702 CA LEU A 42 -6.315 -15.644 -1.718 1.00 0.00 C ATOM 703 C LEU A 42 -6.840 -16.900 -1.015 1.00 0.00 C ATOM 704 O LEU A 42 -6.338 -17.988 -1.216 1.00 0.00 O ATOM 705 CB LEU A 42 -5.070 -15.110 -1.005 1.00 0.00 C ATOM 706 CG LEU A 42 -4.517 -13.911 -1.778 1.00 0.00 C ATOM 707 CD1 LEU A 42 -3.266 -13.382 -1.073 1.00 0.00 C ATOM 708 CD2 LEU A 42 -4.157 -14.343 -3.200 1.00 0.00 C ATOM 0 H LEU A 42 -7.009 -13.714 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.105 -15.929 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.319 -14.816 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.314 -15.892 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.271 -13.125 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.872 -12.528 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.523 -13.073 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.511 -14.167 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.763 -13.489 -3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.403 -15.129 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.048 -14.719 -3.703 1.00 0.00 H new ATOM 720 N LEU A 43 -7.841 -16.761 -0.188 1.00 0.00 N ATOM 721 CA LEU A 43 -8.384 -17.947 0.526 1.00 0.00 C ATOM 722 C LEU A 43 -9.474 -18.634 -0.307 1.00 0.00 C ATOM 723 O LEU A 43 -9.593 -19.844 -0.310 1.00 0.00 O ATOM 724 CB LEU A 43 -8.971 -17.392 1.823 1.00 0.00 C ATOM 725 CG LEU A 43 -9.579 -18.532 2.641 1.00 0.00 C ATOM 726 CD1 LEU A 43 -8.495 -19.562 2.965 1.00 0.00 C ATOM 727 CD2 LEU A 43 -10.157 -17.971 3.942 1.00 0.00 C ATOM 0 H LEU A 43 -8.304 -15.877 0.022 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.616 -18.698 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.194 -16.891 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.733 -16.645 1.599 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.373 -19.010 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.928 -20.375 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.083 -19.960 2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.701 -19.086 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.591 -18.782 4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.363 -17.494 4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.929 -17.237 3.711 1.00 0.00 H new ATOM 739 N LEU A 44 -10.275 -17.876 -1.006 1.00 0.00 N ATOM 740 CA LEU A 44 -11.357 -18.492 -1.823 1.00 0.00 C ATOM 741 C LEU A 44 -10.788 -19.126 -3.099 1.00 0.00 C ATOM 742 O LEU A 44 -11.167 -20.216 -3.476 1.00 0.00 O ATOM 743 CB LEU A 44 -12.324 -17.352 -2.174 1.00 0.00 C ATOM 744 CG LEU A 44 -13.154 -16.950 -0.946 1.00 0.00 C ATOM 745 CD1 LEU A 44 -13.901 -18.176 -0.415 1.00 0.00 C ATOM 746 CD2 LEU A 44 -12.250 -16.386 0.152 1.00 0.00 C ATOM 0 H LEU A 44 -10.226 -16.858 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.859 -19.289 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.763 -16.491 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.987 -17.665 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 44 -13.868 -16.180 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -14.491 -17.893 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.562 -18.563 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.183 -18.946 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.856 -16.107 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.523 -17.142 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.726 -15.507 -0.224 1.00 0.00 H new ATOM 758 N ILE A 45 -9.889 -18.457 -3.770 1.00 0.00 N ATOM 759 CA ILE A 45 -9.321 -19.044 -5.020 1.00 0.00 C ATOM 760 C ILE A 45 -8.754 -20.438 -4.738 1.00 0.00 C ATOM 761 O ILE A 45 -8.630 -21.258 -5.626 1.00 0.00 O ATOM 762 CB ILE A 45 -8.205 -18.094 -5.458 1.00 0.00 C ATOM 763 CG1 ILE A 45 -7.144 -18.006 -4.357 1.00 0.00 C ATOM 764 CG2 ILE A 45 -8.783 -16.702 -5.726 1.00 0.00 C ATOM 765 CD1 ILE A 45 -6.000 -17.104 -4.825 1.00 0.00 C ATOM 0 H ILE A 45 -9.526 -17.540 -3.511 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.080 -19.153 -5.795 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.749 -18.475 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.585 -17.608 -3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.765 -19.000 -4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.983 -16.030 -6.038 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.532 -16.765 -6.515 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.245 -16.319 -4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.244 -17.040 -4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.554 -17.521 -5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.386 -16.107 -5.038 1.00 0.00 H new ATOM 777 N CYS A 46 -8.406 -20.711 -3.511 1.00 0.00 N ATOM 778 CA CYS A 46 -7.851 -22.050 -3.177 1.00 0.00 C ATOM 779 C CYS A 46 -8.978 -23.079 -3.064 1.00 0.00 C ATOM 780 O CYS A 46 -8.784 -24.256 -3.295 1.00 0.00 O ATOM 781 CB CYS A 46 -7.158 -21.867 -1.833 1.00 0.00 C ATOM 782 SG CYS A 46 -6.430 -23.439 -1.309 1.00 0.00 S ATOM 0 H CYS A 46 -8.482 -20.064 -2.726 1.00 0.00 H new ATOM 0 HA CYS A 46 -7.166 -22.414 -3.943 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -6.384 -21.104 -1.912 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -7.873 -21.519 -1.088 1.00 0.00 H new ATOM 0 HG CYS A 46 -5.837 -23.282 -0.163 1.00 0.00 H new ATOM 788 N ILE A 47 -10.155 -22.643 -2.713 1.00 0.00 N ATOM 789 CA ILE A 47 -11.295 -23.588 -2.584 1.00 0.00 C ATOM 790 C ILE A 47 -11.471 -24.396 -3.873 1.00 0.00 C ATOM 791 O ILE A 47 -11.649 -25.598 -3.842 1.00 0.00 O ATOM 792 CB ILE A 47 -12.510 -22.695 -2.337 1.00 0.00 C ATOM 793 CG1 ILE A 47 -12.334 -21.935 -1.018 1.00 0.00 C ATOM 794 CG2 ILE A 47 -13.763 -23.559 -2.261 1.00 0.00 C ATOM 795 CD1 ILE A 47 -12.193 -22.935 0.133 1.00 0.00 C ATOM 0 H ILE A 47 -10.376 -21.668 -2.509 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.145 -24.312 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.606 -21.980 -3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.452 -21.296 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -13.190 -21.283 -0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -14.632 -22.925 -2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.891 -24.098 -3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.663 -24.273 -1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.068 -22.395 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.088 -23.555 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.323 -23.568 -0.040 1.00 0.00 H new ATOM 807 N ILE A 48 -11.431 -23.747 -5.004 1.00 0.00 N ATOM 808 CA ILE A 48 -11.602 -24.479 -6.290 1.00 0.00 C ATOM 809 C ILE A 48 -10.335 -25.268 -6.624 1.00 0.00 C ATOM 810 O ILE A 48 -10.392 -26.347 -7.179 1.00 0.00 O ATOM 811 CB ILE A 48 -11.864 -23.404 -7.350 1.00 0.00 C ATOM 812 CG1 ILE A 48 -10.642 -22.492 -7.478 1.00 0.00 C ATOM 813 CG2 ILE A 48 -13.075 -22.568 -6.938 1.00 0.00 C ATOM 814 CD1 ILE A 48 -10.898 -21.444 -8.563 1.00 0.00 C ATOM 0 H ILE A 48 -11.287 -22.741 -5.093 1.00 0.00 H new ATOM 0 HA ILE A 48 -12.421 -25.197 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.057 -23.886 -8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -10.439 -22.002 -6.525 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -9.760 -23.081 -7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.262 -21.803 -7.691 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -13.949 -23.213 -6.850 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -12.878 -22.091 -5.978 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.027 -20.794 -8.654 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -11.080 -21.943 -9.515 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -11.769 -20.847 -8.294 1.00 0.00 H new ATOM 826 N VAL A 49 -9.191 -24.741 -6.283 1.00 0.00 N ATOM 827 CA VAL A 49 -7.923 -25.468 -6.576 1.00 0.00 C ATOM 828 C VAL A 49 -7.861 -26.758 -5.757 1.00 0.00 C ATOM 829 O VAL A 49 -7.308 -27.752 -6.185 1.00 0.00 O ATOM 830 CB VAL A 49 -6.807 -24.512 -6.156 1.00 0.00 C ATOM 831 CG1 VAL A 49 -5.450 -25.170 -6.410 1.00 0.00 C ATOM 832 CG2 VAL A 49 -6.907 -23.219 -6.969 1.00 0.00 C ATOM 0 H VAL A 49 -9.079 -23.841 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.840 -25.749 -7.626 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.907 -24.282 -5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.654 -24.489 -6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.378 -26.090 -5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.350 -25.401 -7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.111 -22.538 -6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.808 -23.448 -8.030 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.874 -22.749 -6.788 1.00 0.00 H new ATOM 842 N MET A 50 -8.426 -26.749 -4.580 1.00 0.00 N ATOM 843 CA MET A 50 -8.399 -27.972 -3.736 1.00 0.00 C ATOM 844 C MET A 50 -9.488 -28.960 -4.172 1.00 0.00 C ATOM 845 O MET A 50 -9.514 -30.095 -3.738 1.00 0.00 O ATOM 846 CB MET A 50 -8.657 -27.484 -2.315 1.00 0.00 C ATOM 847 CG MET A 50 -7.508 -26.579 -1.861 1.00 0.00 C ATOM 848 SD MET A 50 -5.968 -27.528 -1.832 1.00 0.00 S ATOM 849 CE MET A 50 -6.497 -28.776 -0.636 1.00 0.00 C ATOM 0 H MET A 50 -8.904 -25.947 -4.169 1.00 0.00 H new ATOM 0 HA MET A 50 -7.449 -28.500 -3.821 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.600 -26.939 -2.273 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.751 -28.335 -1.640 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.411 -25.729 -2.537 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.718 -26.176 -0.870 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.627 -29.165 -0.107 1.00 0.00 H new ATOM 0 HE2 MET A 50 -7.185 -28.326 0.080 1.00 0.00 H new ATOM 0 HE3 MET A 50 -6.999 -29.591 -1.158 1.00 0.00 H new ATOM 859 N LEU A 51 -10.387 -28.544 -5.022 1.00 0.00 N ATOM 860 CA LEU A 51 -11.467 -29.468 -5.472 1.00 0.00 C ATOM 861 C LEU A 51 -11.318 -29.777 -6.965 1.00 0.00 C ATOM 862 O LEU A 51 -11.647 -30.855 -7.422 1.00 0.00 O ATOM 863 CB LEU A 51 -12.767 -28.711 -5.206 1.00 0.00 C ATOM 864 CG LEU A 51 -12.860 -28.369 -3.718 1.00 0.00 C ATOM 865 CD1 LEU A 51 -14.162 -27.614 -3.448 1.00 0.00 C ATOM 866 CD2 LEU A 51 -12.835 -29.658 -2.895 1.00 0.00 C ATOM 0 H LEU A 51 -10.421 -27.607 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.436 -30.424 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.799 -27.799 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.622 -29.318 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.013 -27.743 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.228 -27.370 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.178 -26.695 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.010 -28.238 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.901 -29.414 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.680 -30.286 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.905 -30.194 -3.087 1.00 0.00 H new ATOM 878 N LEU A 52 -10.828 -28.839 -7.729 1.00 0.00 N ATOM 879 CA LEU A 52 -10.662 -29.081 -9.190 1.00 0.00 C ATOM 880 C LEU A 52 -9.174 -29.171 -9.546 1.00 0.00 C ATOM 881 O LEU A 52 -8.408 -29.598 -8.698 1.00 0.00 O ATOM 882 CB LEU A 52 -11.302 -27.868 -9.867 1.00 0.00 C ATOM 883 CG LEU A 52 -12.779 -27.782 -9.471 1.00 0.00 C ATOM 884 CD1 LEU A 52 -13.416 -26.567 -10.147 1.00 0.00 C ATOM 885 CD2 LEU A 52 -13.504 -29.053 -9.920 1.00 0.00 C ATOM 886 OXT LEU A 52 -8.829 -28.812 -10.660 1.00 0.00 O ATOM 0 H LEU A 52 -10.536 -27.917 -7.405 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.122 -30.016 -9.509 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.782 -26.957 -9.572 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.209 -27.951 -10.950 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.860 -27.682 -8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.467 -26.504 -9.866 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.900 -25.661 -9.828 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.335 -26.669 -11.229 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -14.555 -28.991 -9.638 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -13.424 -29.154 -11.002 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.050 -29.920 -9.440 1.00 0.00 H new TER 898 LEU A 52