USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ 162:sc= 0.00235 (180deg=0) USER MOD Set 1.2: A 4 THR OG1 : rot 180:sc= 0.0837 USER MOD Single : A 1 MET CE :methyl 142:sc= -0.198 (180deg=-2.66!) USER MOD Single : A 2 ASN : amide:sc= -0.133 K(o=-0.13,f=-5.9!) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 1.25 (180deg=0.323) USER MOD Single : A 14 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.07) USER MOD Single : A 17 THR OG1 : rot 129:sc= 0.947 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 73:sc= 0.774 USER MOD Single : A 34 SER OG : rot 68:sc= 0.375 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00451 USER MOD Single : A 38 SER OG : rot -17:sc= -0.0385 USER MOD Single : A 40 GLN : amide:sc= -0.0799 X(o=-0.08,f=-0.21) USER MOD Single : A 42 MET CE :methyl -144:sc= -0.583 (180deg=-2.32!) USER MOD Single : A 56 ASN : amide:sc= -0.502 K(o=-0.5,f=-2.5!) USER MOD Single : A 59 ASN : amide:sc= -0.355 K(o=-0.36,f=-1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -140:sc= -0.0765 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= -0.101 (180deg=-0.416) USER MOD Single : A 72 THR OG1 : rot 71:sc= 0.00194 USER MOD Single : A 74 LYS NZ :NH3+ 167:sc=-0.00856 (180deg=-0.151) USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= 1.15 (180deg=0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.639 0.058 11.569 1.00 0.00 N ATOM 2 CA MET A 1 1.473 0.311 10.368 1.00 0.00 C ATOM 3 C MET A 1 1.082 -0.624 9.224 1.00 0.00 C ATOM 4 O MET A 1 0.847 -0.170 8.103 1.00 0.00 O ATOM 5 CB MET A 1 2.962 0.150 10.700 1.00 0.00 C ATOM 6 CG MET A 1 3.890 0.696 9.622 1.00 0.00 C ATOM 7 SD MET A 1 5.629 0.545 10.066 1.00 0.00 S ATOM 8 CE MET A 1 5.882 -1.218 9.903 1.00 0.00 C ATOM 0 H1 MET A 1 1.102 0.467 12.406 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.295 0.497 11.441 1.00 0.00 H new ATOM 0 H3 MET A 1 0.525 -0.967 11.703 1.00 0.00 H new ATOM 0 HA MET A 1 1.296 1.338 10.047 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.173 0.658 11.641 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.179 -0.907 10.853 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.709 0.164 8.688 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.654 1.745 9.442 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.870 -1.406 9.482 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.810 -1.688 10.884 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.121 -1.635 9.244 1.00 0.00 H new ATOM 17 N ASN A 2 1.002 -1.926 9.508 1.00 0.00 N ATOM 18 CA ASN A 2 0.676 -2.926 8.486 1.00 0.00 C ATOM 19 C ASN A 2 -0.707 -2.656 7.883 1.00 0.00 C ATOM 20 O ASN A 2 -0.876 -2.669 6.662 1.00 0.00 O ATOM 21 CB ASN A 2 0.742 -4.351 9.066 1.00 0.00 C ATOM 22 CG ASN A 2 -0.289 -4.618 10.154 1.00 0.00 C ATOM 23 OD1 ASN A 2 -0.689 -3.713 10.890 1.00 0.00 O ATOM 24 ND2 ASN A 2 -0.729 -5.862 10.258 1.00 0.00 N ATOM 0 H ASN A 2 1.159 -2.314 10.438 1.00 0.00 H new ATOM 0 HA ASN A 2 1.419 -2.847 7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 2 0.599 -5.069 8.259 1.00 0.00 H new ATOM 0 HB3 ASN A 2 1.739 -4.522 9.473 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.424 -6.100 10.966 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.373 -6.583 9.630 1.00 0.00 H new ATOM 31 N ALA A 3 -1.686 -2.390 8.746 1.00 0.00 N ATOM 32 CA ALA A 3 -3.037 -2.069 8.301 1.00 0.00 C ATOM 33 C ALA A 3 -3.089 -0.636 7.784 1.00 0.00 C ATOM 34 O ALA A 3 -3.854 -0.323 6.875 1.00 0.00 O ATOM 35 CB ALA A 3 -4.033 -2.270 9.436 1.00 0.00 C ATOM 0 H ALA A 3 -1.566 -2.391 9.759 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.310 -2.742 7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.036 -2.026 9.087 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.006 -3.309 9.764 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.771 -1.619 10.270 1.00 0.00 H new ATOM 41 N THR A 4 -2.252 0.220 8.369 1.00 0.00 N ATOM 42 CA THR A 4 -2.128 1.614 7.946 1.00 0.00 C ATOM 43 C THR A 4 -1.859 1.699 6.439 1.00 0.00 C ATOM 44 O THR A 4 -2.400 2.562 5.742 1.00 0.00 O ATOM 45 CB THR A 4 -0.979 2.306 8.718 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.152 2.100 10.129 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.918 3.799 8.418 1.00 0.00 C ATOM 0 H THR A 4 -1.643 -0.032 9.147 1.00 0.00 H new ATOM 0 HA THR A 4 -3.067 2.122 8.166 1.00 0.00 H new ATOM 0 HB THR A 4 -0.039 1.862 8.391 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.422 2.538 10.615 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.099 4.250 8.978 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.754 3.949 7.351 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.858 4.267 8.710 1.00 0.00 H new ATOM 55 N ILE A 5 -1.033 0.777 5.952 1.00 0.00 N ATOM 56 CA ILE A 5 -0.711 0.679 4.529 1.00 0.00 C ATOM 57 C ILE A 5 -1.982 0.562 3.682 1.00 0.00 C ATOM 58 O ILE A 5 -2.258 1.417 2.845 1.00 0.00 O ATOM 59 CB ILE A 5 0.204 -0.541 4.252 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.512 -0.425 5.058 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.495 -0.667 2.753 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.369 -1.674 5.024 1.00 0.00 C ATOM 0 H ILE A 5 -0.568 0.077 6.531 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.184 1.592 4.252 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.315 -1.444 4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.092 0.412 4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.269 -0.192 6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.139 -1.529 2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.441 -0.798 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.995 0.236 2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.271 -1.513 5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.808 -2.511 5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.645 -1.898 3.994 1.00 0.00 H new ATOM 74 N ARG A 6 -2.767 -0.487 3.918 1.00 0.00 N ATOM 75 CA ARG A 6 -3.998 -0.706 3.155 1.00 0.00 C ATOM 76 C ARG A 6 -5.038 0.360 3.498 1.00 0.00 C ATOM 77 O ARG A 6 -5.926 0.660 2.697 1.00 0.00 O ATOM 78 CB ARG A 6 -4.556 -2.117 3.413 1.00 0.00 C ATOM 79 CG ARG A 6 -4.853 -2.417 4.880 1.00 0.00 C ATOM 80 CD ARG A 6 -5.258 -3.872 5.093 1.00 0.00 C ATOM 81 NE ARG A 6 -5.483 -4.175 6.509 1.00 0.00 N ATOM 82 CZ ARG A 6 -5.315 -5.382 7.061 1.00 0.00 C ATOM 83 NH1 ARG A 6 -4.940 -6.417 6.321 1.00 0.00 N ATOM 84 NH2 ARG A 6 -5.521 -5.547 8.359 1.00 0.00 N ATOM 0 H ARG A 6 -2.576 -1.196 4.626 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.762 -0.625 2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.472 -2.244 2.836 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.841 -2.851 3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.972 -2.194 5.482 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.652 -1.763 5.230 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.166 -4.082 4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.480 -4.527 4.701 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.789 -3.414 7.115 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.777 -6.297 5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.815 -7.333 6.752 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.807 -4.755 8.935 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.394 -6.466 8.783 1.00 0.00 H new ATOM 98 N GLU A 7 -4.900 0.944 4.684 1.00 0.00 N ATOM 99 CA GLU A 7 -5.809 1.983 5.150 1.00 0.00 C ATOM 100 C GLU A 7 -5.639 3.260 4.330 1.00 0.00 C ATOM 101 O GLU A 7 -6.619 3.936 4.009 1.00 0.00 O ATOM 102 CB GLU A 7 -5.560 2.282 6.635 1.00 0.00 C ATOM 103 CG GLU A 7 -6.448 3.380 7.208 1.00 0.00 C ATOM 104 CD GLU A 7 -6.031 3.797 8.609 1.00 0.00 C ATOM 105 OE1 GLU A 7 -5.130 4.655 8.731 1.00 0.00 O ATOM 106 OE2 GLU A 7 -6.592 3.267 9.589 1.00 0.00 O ATOM 0 H GLU A 7 -4.159 0.711 5.345 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.830 1.621 5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.715 1.368 7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.517 2.568 6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.416 4.248 6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.481 3.033 7.228 1.00 0.00 H new ATOM 113 N ILE A 8 -4.392 3.593 3.984 1.00 0.00 N ATOM 114 CA ILE A 8 -4.116 4.835 3.272 1.00 0.00 C ATOM 115 C ILE A 8 -4.727 4.803 1.868 1.00 0.00 C ATOM 116 O ILE A 8 -5.160 5.831 1.350 1.00 0.00 O ATOM 117 CB ILE A 8 -2.598 5.171 3.188 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.421 6.661 2.877 1.00 0.00 C ATOM 119 CG2 ILE A 8 -1.893 4.327 2.132 1.00 0.00 C ATOM 120 CD1 ILE A 8 -0.985 7.101 2.740 1.00 0.00 C ATOM 0 H ILE A 8 -3.569 3.025 4.184 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.583 5.629 3.855 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.144 4.939 4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.949 6.892 1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.893 7.244 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.836 4.590 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.998 3.271 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.341 4.516 1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.951 8.168 2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.454 6.905 3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.511 6.548 1.929 1.00 0.00 H new ATOM 132 N LEU A 9 -4.776 3.615 1.264 1.00 0.00 N ATOM 133 CA LEU A 9 -5.363 3.445 -0.070 1.00 0.00 C ATOM 134 C LEU A 9 -6.841 3.835 -0.074 1.00 0.00 C ATOM 135 O LEU A 9 -7.385 4.222 -1.106 1.00 0.00 O ATOM 136 CB LEU A 9 -5.203 1.995 -0.570 1.00 0.00 C ATOM 137 CG LEU A 9 -3.832 1.637 -1.180 1.00 0.00 C ATOM 138 CD1 LEU A 9 -3.542 2.497 -2.408 1.00 0.00 C ATOM 139 CD2 LEU A 9 -2.719 1.779 -0.148 1.00 0.00 C ATOM 0 H LEU A 9 -4.416 2.754 1.676 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.824 4.107 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.394 1.321 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.972 1.803 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.869 0.594 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.570 2.226 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.314 2.331 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.535 3.549 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.764 1.520 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.683 2.808 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.913 1.110 0.691 1.00 0.00 H new ATOM 151 N ALA A 10 -7.484 3.721 1.082 1.00 0.00 N ATOM 152 CA ALA A 10 -8.906 4.028 1.211 1.00 0.00 C ATOM 153 C ALA A 10 -9.156 5.537 1.231 1.00 0.00 C ATOM 154 O ALA A 10 -10.217 6.006 0.809 1.00 0.00 O ATOM 155 CB ALA A 10 -9.473 3.371 2.465 1.00 0.00 C ATOM 0 H ALA A 10 -7.041 3.416 1.949 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.418 3.624 0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.534 3.607 2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.345 2.291 2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.946 3.746 3.342 1.00 0.00 H new ATOM 161 N LYS A 11 -8.180 6.295 1.730 1.00 0.00 N ATOM 162 CA LYS A 11 -8.331 7.744 1.894 1.00 0.00 C ATOM 163 C LYS A 11 -7.465 8.535 0.900 1.00 0.00 C ATOM 164 O LYS A 11 -7.973 9.403 0.189 1.00 0.00 O ATOM 165 CB LYS A 11 -8.027 8.146 3.351 1.00 0.00 C ATOM 166 CG LYS A 11 -6.828 7.425 3.968 1.00 0.00 C ATOM 167 CD LYS A 11 -6.711 7.706 5.467 1.00 0.00 C ATOM 168 CE LYS A 11 -5.626 6.857 6.125 1.00 0.00 C ATOM 169 NZ LYS A 11 -5.602 7.038 7.603 1.00 0.00 N ATOM 0 H LYS A 11 -7.275 5.931 2.028 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.367 8.000 1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.848 9.221 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.908 7.948 3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.925 6.352 3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.914 7.742 3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.489 8.762 5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.668 7.508 5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.795 5.806 5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.654 7.124 5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.029 6.286 8.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.188 7.964 7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.572 6.991 7.974 1.00 0.00 H new ATOM 183 N PHE A 12 -6.167 8.246 0.851 1.00 0.00 N ATOM 184 CA PHE A 12 -5.256 8.940 -0.071 1.00 0.00 C ATOM 185 C PHE A 12 -5.178 8.223 -1.414 1.00 0.00 C ATOM 186 O PHE A 12 -5.047 8.857 -2.461 1.00 0.00 O ATOM 187 CB PHE A 12 -3.850 9.052 0.532 1.00 0.00 C ATOM 188 CG PHE A 12 -3.732 10.084 1.627 1.00 0.00 C ATOM 189 CD1 PHE A 12 -4.144 9.798 2.920 1.00 0.00 C ATOM 190 CD2 PHE A 12 -3.208 11.340 1.359 1.00 0.00 C ATOM 191 CE1 PHE A 12 -4.035 10.743 3.922 1.00 0.00 C ATOM 192 CE2 PHE A 12 -3.097 12.288 2.358 1.00 0.00 C ATOM 193 CZ PHE A 12 -3.510 11.989 3.640 1.00 0.00 C ATOM 0 H PHE A 12 -5.718 7.540 1.434 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.657 9.941 -0.231 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.558 8.080 0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.144 9.297 -0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.555 8.825 3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.883 11.580 0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.360 10.508 4.925 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.687 13.262 2.136 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.423 12.729 4.422 1.00 0.00 H new ATOM 203 N GLY A 13 -5.248 6.899 -1.374 1.00 0.00 N ATOM 204 CA GLY A 13 -5.152 6.111 -2.589 1.00 0.00 C ATOM 205 C GLY A 13 -6.313 6.374 -3.529 1.00 0.00 C ATOM 206 O GLY A 13 -7.463 6.073 -3.204 1.00 0.00 O ATOM 0 H GLY A 13 -5.370 6.355 -0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.215 6.340 -3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.125 5.052 -2.333 1.00 0.00 H new ATOM 210 N GLN A 14 -6.023 6.953 -4.688 1.00 0.00 N ATOM 211 CA GLN A 14 -7.054 7.232 -5.685 1.00 0.00 C ATOM 212 C GLN A 14 -7.456 5.942 -6.402 1.00 0.00 C ATOM 213 O GLN A 14 -7.101 5.720 -7.563 1.00 0.00 O ATOM 214 CB GLN A 14 -6.571 8.288 -6.692 1.00 0.00 C ATOM 215 CG GLN A 14 -6.072 9.579 -6.048 1.00 0.00 C ATOM 216 CD GLN A 14 -5.796 10.692 -7.052 1.00 0.00 C ATOM 217 OE1 GLN A 14 -5.906 11.875 -6.725 1.00 0.00 O ATOM 218 NE2 GLN A 14 -5.458 10.334 -8.284 1.00 0.00 N ATOM 0 H GLN A 14 -5.083 7.239 -4.962 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.929 7.634 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.769 7.861 -7.294 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.388 8.526 -7.373 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.812 9.926 -5.327 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.159 9.369 -5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.375 9.346 -8.523 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.281 11.047 -8.992 1.00 0.00 H new ATOM 227 N LEU A 15 -8.152 5.076 -5.676 1.00 0.00 N ATOM 228 CA LEU A 15 -8.609 3.798 -6.207 1.00 0.00 C ATOM 229 C LEU A 15 -10.070 3.933 -6.644 1.00 0.00 C ATOM 230 O LEU A 15 -10.895 4.440 -5.880 1.00 0.00 O ATOM 231 CB LEU A 15 -8.464 2.702 -5.128 1.00 0.00 C ATOM 232 CG LEU A 15 -8.565 1.249 -5.629 1.00 0.00 C ATOM 233 CD1 LEU A 15 -7.399 0.916 -6.551 1.00 0.00 C ATOM 234 CD2 LEU A 15 -8.614 0.267 -4.457 1.00 0.00 C ATOM 0 H LEU A 15 -8.415 5.239 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.003 3.515 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.500 2.830 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.233 2.860 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.493 1.153 -6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.489 -0.115 -6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.412 1.587 -7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.461 1.038 -6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.685 -0.752 -4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.708 0.368 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.484 0.484 -3.837 1.00 0.00 H new ATOM 246 N PRO A 16 -10.421 3.474 -7.864 1.00 0.00 N ATOM 247 CA PRO A 16 -11.783 3.620 -8.395 1.00 0.00 C ATOM 248 C PRO A 16 -12.750 2.686 -7.680 1.00 0.00 C ATOM 249 O PRO A 16 -13.969 2.866 -7.717 1.00 0.00 O ATOM 250 CB PRO A 16 -11.635 3.231 -9.872 1.00 0.00 C ATOM 251 CG PRO A 16 -10.457 2.316 -9.916 1.00 0.00 C ATOM 252 CD PRO A 16 -9.538 2.742 -8.796 1.00 0.00 C ATOM 0 HA PRO A 16 -12.186 4.623 -8.258 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.533 2.736 -10.241 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.476 4.110 -10.497 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.767 1.279 -9.789 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.951 2.382 -10.879 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.073 1.882 -8.313 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.731 3.377 -9.162 1.00 0.00 H new ATOM 260 N THR A 17 -12.166 1.699 -7.025 1.00 0.00 N ATOM 261 CA THR A 17 -12.881 0.690 -6.287 1.00 0.00 C ATOM 262 C THR A 17 -12.644 0.891 -4.783 1.00 0.00 C ATOM 263 O THR A 17 -11.526 1.216 -4.376 1.00 0.00 O ATOM 264 CB THR A 17 -12.364 -0.692 -6.737 1.00 0.00 C ATOM 265 OG1 THR A 17 -12.754 -0.941 -8.096 1.00 0.00 O ATOM 266 CG2 THR A 17 -12.860 -1.807 -5.840 1.00 0.00 C ATOM 0 H THR A 17 -11.153 1.580 -6.995 1.00 0.00 H new ATOM 0 HA THR A 17 -13.952 0.760 -6.477 1.00 0.00 H new ATOM 0 HB THR A 17 -11.277 -0.676 -6.664 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.969 -1.210 -8.617 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.470 -2.761 -6.196 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.518 -1.633 -4.820 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.950 -1.831 -5.858 1.00 0.00 H new ATOM 274 N PRO A 18 -13.685 0.738 -3.941 1.00 0.00 N ATOM 275 CA PRO A 18 -13.548 0.889 -2.487 1.00 0.00 C ATOM 276 C PRO A 18 -12.661 -0.202 -1.886 1.00 0.00 C ATOM 277 O PRO A 18 -12.933 -1.393 -2.043 1.00 0.00 O ATOM 278 CB PRO A 18 -14.989 0.776 -1.966 1.00 0.00 C ATOM 279 CG PRO A 18 -15.727 0.035 -3.032 1.00 0.00 C ATOM 280 CD PRO A 18 -15.069 0.411 -4.336 1.00 0.00 C ATOM 0 HA PRO A 18 -13.071 1.830 -2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.025 0.242 -1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.425 1.760 -1.795 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.675 -1.041 -2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.783 0.307 -3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.099 -0.410 -5.052 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.564 1.261 -4.805 1.00 0.00 H new ATOM 288 N VAL A 19 -11.602 0.213 -1.193 1.00 0.00 N ATOM 289 CA VAL A 19 -10.651 -0.723 -0.588 1.00 0.00 C ATOM 290 C VAL A 19 -11.359 -1.694 0.360 1.00 0.00 C ATOM 291 O VAL A 19 -10.890 -2.807 0.587 1.00 0.00 O ATOM 292 CB VAL A 19 -9.530 0.030 0.175 1.00 0.00 C ATOM 293 CG1 VAL A 19 -8.559 -0.944 0.848 1.00 0.00 C ATOM 294 CG2 VAL A 19 -8.783 0.968 -0.770 1.00 0.00 C ATOM 0 H VAL A 19 -11.379 1.196 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.199 -1.293 -1.400 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.999 0.623 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.786 -0.383 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.102 -1.566 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.096 -1.577 0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.999 1.490 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.336 0.390 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.480 1.695 -1.187 1.00 0.00 H new ATOM 304 N ASP A 20 -12.499 -1.265 0.888 1.00 0.00 N ATOM 305 CA ASP A 20 -13.294 -2.074 1.813 1.00 0.00 C ATOM 306 C ASP A 20 -13.635 -3.454 1.230 1.00 0.00 C ATOM 307 O ASP A 20 -13.799 -4.424 1.975 1.00 0.00 O ATOM 308 CB ASP A 20 -14.585 -1.329 2.184 1.00 0.00 C ATOM 309 CG ASP A 20 -15.448 -2.100 3.174 1.00 0.00 C ATOM 310 OD1 ASP A 20 -15.112 -2.115 4.379 1.00 0.00 O ATOM 311 OD2 ASP A 20 -16.464 -2.696 2.752 1.00 0.00 O ATOM 0 H ASP A 20 -12.901 -0.349 0.690 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.691 -2.236 2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.329 -0.359 2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.161 -1.137 1.279 1.00 0.00 H new ATOM 316 N THR A 21 -13.732 -3.545 -0.100 1.00 0.00 N ATOM 317 CA THR A 21 -14.120 -4.797 -0.752 1.00 0.00 C ATOM 318 C THR A 21 -12.898 -5.690 -1.016 1.00 0.00 C ATOM 319 O THR A 21 -13.030 -6.908 -1.144 1.00 0.00 O ATOM 320 CB THR A 21 -14.889 -4.545 -2.078 1.00 0.00 C ATOM 321 OG1 THR A 21 -15.543 -5.750 -2.505 1.00 0.00 O ATOM 322 CG2 THR A 21 -13.958 -4.060 -3.187 1.00 0.00 C ATOM 0 H THR A 21 -13.549 -2.773 -0.741 1.00 0.00 H new ATOM 0 HA THR A 21 -14.790 -5.314 -0.065 1.00 0.00 H new ATOM 0 HB THR A 21 -15.628 -3.767 -1.885 1.00 0.00 H new ATOM 0 HG1 THR A 21 -16.026 -5.581 -3.341 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.533 -3.895 -4.098 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.485 -3.127 -2.882 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.191 -4.812 -3.373 1.00 0.00 H new ATOM 330 N ILE A 22 -11.710 -5.084 -1.095 1.00 0.00 N ATOM 331 CA ILE A 22 -10.473 -5.844 -1.293 1.00 0.00 C ATOM 332 C ILE A 22 -9.769 -6.057 0.047 1.00 0.00 C ATOM 333 O ILE A 22 -10.295 -5.686 1.098 1.00 0.00 O ATOM 334 CB ILE A 22 -9.506 -5.149 -2.296 1.00 0.00 C ATOM 335 CG1 ILE A 22 -9.171 -3.725 -1.829 1.00 0.00 C ATOM 336 CG2 ILE A 22 -10.109 -5.134 -3.703 1.00 0.00 C ATOM 337 CD1 ILE A 22 -8.239 -2.976 -2.759 1.00 0.00 C ATOM 0 H ILE A 22 -11.579 -4.075 -1.025 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.750 -6.807 -1.722 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.578 -5.720 -2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.097 -3.160 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.717 -3.775 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.418 -4.644 -4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.285 -6.157 -4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.053 -4.590 -3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.051 -1.979 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.297 -3.517 -2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.698 -2.892 -3.744 1.00 0.00 H new ATOM 349 N ALA A 23 -8.587 -6.657 0.012 1.00 0.00 N ATOM 350 CA ALA A 23 -7.840 -6.959 1.226 1.00 0.00 C ATOM 351 C ALA A 23 -6.370 -7.176 0.903 1.00 0.00 C ATOM 352 O ALA A 23 -5.976 -7.174 -0.265 1.00 0.00 O ATOM 353 CB ALA A 23 -8.423 -8.186 1.923 1.00 0.00 C ATOM 0 H ALA A 23 -8.122 -6.946 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.923 -6.109 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.852 -8.396 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.463 -7.995 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.370 -9.044 1.253 1.00 0.00 H new ATOM 359 N ASP A 24 -5.568 -7.390 1.938 1.00 0.00 N ATOM 360 CA ASP A 24 -4.127 -7.580 1.781 1.00 0.00 C ATOM 361 C ASP A 24 -3.823 -8.871 1.028 1.00 0.00 C ATOM 362 O ASP A 24 -2.761 -9.010 0.417 1.00 0.00 O ATOM 363 CB ASP A 24 -3.445 -7.603 3.154 1.00 0.00 C ATOM 364 CG ASP A 24 -3.965 -8.713 4.050 1.00 0.00 C ATOM 365 OD1 ASP A 24 -5.132 -8.623 4.482 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.212 -9.669 4.330 1.00 0.00 O ATOM 0 H ASP A 24 -5.892 -7.437 2.904 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.737 -6.745 1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.370 -7.725 3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.598 -6.643 3.647 1.00 0.00 H new ATOM 371 N GLU A 25 -4.762 -9.810 1.085 1.00 0.00 N ATOM 372 CA GLU A 25 -4.615 -11.105 0.426 1.00 0.00 C ATOM 373 C GLU A 25 -5.224 -11.083 -0.978 1.00 0.00 C ATOM 374 O GLU A 25 -5.113 -12.058 -1.727 1.00 0.00 O ATOM 375 CB GLU A 25 -5.297 -12.196 1.265 1.00 0.00 C ATOM 376 CG GLU A 25 -4.849 -12.228 2.721 1.00 0.00 C ATOM 377 CD GLU A 25 -5.468 -13.378 3.496 1.00 0.00 C ATOM 378 OE1 GLU A 25 -6.634 -13.254 3.929 1.00 0.00 O ATOM 379 OE2 GLU A 25 -4.791 -14.416 3.668 1.00 0.00 O ATOM 0 H GLU A 25 -5.643 -9.697 1.587 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.550 -11.321 0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.376 -12.045 1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.096 -13.167 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.763 -12.310 2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.116 -11.286 3.200 1.00 0.00 H new ATOM 386 N ALA A 26 -5.862 -9.967 -1.326 1.00 0.00 N ATOM 387 CA ALA A 26 -6.570 -9.842 -2.598 1.00 0.00 C ATOM 388 C ALA A 26 -5.708 -9.136 -3.642 1.00 0.00 C ATOM 389 O ALA A 26 -4.752 -8.436 -3.304 1.00 0.00 O ATOM 390 CB ALA A 26 -7.882 -9.092 -2.400 1.00 0.00 C ATOM 0 H ALA A 26 -5.903 -9.132 -0.741 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.787 -10.845 -2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.400 -9.006 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.510 -9.637 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.676 -8.096 -2.008 1.00 0.00 H new ATOM 396 N ASP A 27 -6.060 -9.322 -4.912 1.00 0.00 N ATOM 397 CA ASP A 27 -5.333 -8.702 -6.017 1.00 0.00 C ATOM 398 C ASP A 27 -5.707 -7.227 -6.136 1.00 0.00 C ATOM 399 O ASP A 27 -6.660 -6.870 -6.831 1.00 0.00 O ATOM 400 CB ASP A 27 -5.620 -9.428 -7.343 1.00 0.00 C ATOM 401 CG ASP A 27 -5.230 -10.898 -7.313 1.00 0.00 C ATOM 402 OD1 ASP A 27 -4.020 -11.196 -7.230 1.00 0.00 O ATOM 403 OD2 ASP A 27 -6.129 -11.762 -7.373 1.00 0.00 O ATOM 0 H ASP A 27 -6.849 -9.900 -5.202 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.267 -8.782 -5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.682 -9.344 -7.574 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.079 -8.931 -8.148 1.00 0.00 H new ATOM 408 N LEU A 28 -4.961 -6.377 -5.435 1.00 0.00 N ATOM 409 CA LEU A 28 -5.212 -4.934 -5.430 1.00 0.00 C ATOM 410 C LEU A 28 -5.240 -4.378 -6.854 1.00 0.00 C ATOM 411 O LEU A 28 -6.103 -3.569 -7.210 1.00 0.00 O ATOM 412 CB LEU A 28 -4.128 -4.207 -4.625 1.00 0.00 C ATOM 413 CG LEU A 28 -3.838 -4.773 -3.227 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.713 -3.987 -2.561 1.00 0.00 C ATOM 415 CD2 LEU A 28 -5.095 -4.759 -2.359 1.00 0.00 C ATOM 0 H LEU A 28 -4.171 -6.664 -4.858 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.184 -4.767 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.203 -4.223 -5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.420 -3.162 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.520 -5.810 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.518 -4.399 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.810 -4.058 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.006 -2.941 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.862 -5.165 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.453 -3.735 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.868 -5.367 -2.828 1.00 0.00 H new ATOM 427 N TYR A 29 -4.288 -4.828 -7.667 1.00 0.00 N ATOM 428 CA TYR A 29 -4.163 -4.364 -9.047 1.00 0.00 C ATOM 429 C TYR A 29 -5.388 -4.746 -9.881 1.00 0.00 C ATOM 430 O TYR A 29 -5.696 -4.088 -10.871 1.00 0.00 O ATOM 431 CB TYR A 29 -2.869 -4.896 -9.687 1.00 0.00 C ATOM 432 CG TYR A 29 -2.668 -6.398 -9.567 1.00 0.00 C ATOM 433 CD1 TYR A 29 -2.077 -6.949 -8.433 1.00 0.00 C ATOM 434 CD2 TYR A 29 -3.057 -7.263 -10.586 1.00 0.00 C ATOM 435 CE1 TYR A 29 -1.880 -8.311 -8.320 1.00 0.00 C ATOM 436 CE2 TYR A 29 -2.861 -8.627 -10.480 1.00 0.00 C ATOM 437 CZ TYR A 29 -2.273 -9.145 -9.345 1.00 0.00 C ATOM 438 OH TYR A 29 -2.078 -10.504 -9.234 1.00 0.00 O ATOM 0 H TYR A 29 -3.588 -5.517 -7.393 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.109 -3.275 -9.027 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.866 -4.627 -10.743 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.019 -4.392 -9.227 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.767 -6.300 -7.628 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.520 -6.861 -11.475 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.420 -8.721 -7.433 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.167 -9.283 -11.281 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.716 -10.874 -8.588 1.00 0.00 H new ATOM 448 N ALA A 30 -6.098 -5.791 -9.459 1.00 0.00 N ATOM 449 CA ALA A 30 -7.308 -6.227 -10.152 1.00 0.00 C ATOM 450 C ALA A 30 -8.465 -5.278 -9.848 1.00 0.00 C ATOM 451 O ALA A 30 -9.331 -5.047 -10.694 1.00 0.00 O ATOM 452 CB ALA A 30 -7.662 -7.656 -9.756 1.00 0.00 C ATOM 0 H ALA A 30 -5.856 -6.351 -8.641 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.122 -6.207 -11.226 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.566 -7.966 -10.281 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.841 -8.322 -10.023 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.833 -7.704 -8.681 1.00 0.00 H new ATOM 458 N ALA A 31 -8.465 -4.724 -8.635 1.00 0.00 N ATOM 459 CA ALA A 31 -9.483 -3.758 -8.227 1.00 0.00 C ATOM 460 C ALA A 31 -9.296 -2.444 -8.974 1.00 0.00 C ATOM 461 O ALA A 31 -10.235 -1.659 -9.128 1.00 0.00 O ATOM 462 CB ALA A 31 -9.422 -3.529 -6.726 1.00 0.00 C ATOM 0 H ALA A 31 -7.770 -4.929 -7.917 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.465 -4.161 -8.476 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.186 -2.807 -6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.598 -4.471 -6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.439 -3.144 -6.456 1.00 0.00 H new ATOM 468 N GLY A 32 -8.068 -2.207 -9.417 1.00 0.00 N ATOM 469 CA GLY A 32 -7.774 -1.044 -10.239 1.00 0.00 C ATOM 470 C GLY A 32 -6.653 -0.191 -9.679 1.00 0.00 C ATOM 471 O GLY A 32 -6.662 1.034 -9.833 1.00 0.00 O ATOM 0 H GLY A 32 -7.264 -2.803 -9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.506 -1.374 -11.243 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.674 -0.436 -10.333 1.00 0.00 H new ATOM 475 N LEU A 33 -5.685 -0.829 -9.022 1.00 0.00 N ATOM 476 CA LEU A 33 -4.530 -0.114 -8.486 1.00 0.00 C ATOM 477 C LEU A 33 -3.754 0.541 -9.627 1.00 0.00 C ATOM 478 O LEU A 33 -3.168 -0.147 -10.468 1.00 0.00 O ATOM 479 CB LEU A 33 -3.617 -1.064 -7.694 1.00 0.00 C ATOM 480 CG LEU A 33 -2.399 -0.404 -7.024 1.00 0.00 C ATOM 481 CD1 LEU A 33 -2.841 0.651 -6.008 1.00 0.00 C ATOM 482 CD2 LEU A 33 -1.511 -1.458 -6.360 1.00 0.00 C ATOM 0 H LEU A 33 -5.678 -1.834 -8.849 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.884 0.659 -7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.212 -1.555 -6.924 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.262 -1.844 -8.367 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.816 0.096 -7.797 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.963 1.103 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.423 1.421 -6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.453 0.181 -5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.656 -0.971 -5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.084 -1.991 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.160 -2.164 -7.112 1.00 0.00 H new ATOM 494 N SER A 34 -3.787 1.867 -9.667 1.00 0.00 N ATOM 495 CA SER A 34 -3.138 2.630 -10.725 1.00 0.00 C ATOM 496 C SER A 34 -2.061 3.543 -10.135 1.00 0.00 C ATOM 497 O SER A 34 -2.072 3.823 -8.930 1.00 0.00 O ATOM 498 CB SER A 34 -4.190 3.444 -11.485 1.00 0.00 C ATOM 499 OG SER A 34 -5.220 2.599 -11.979 1.00 0.00 O ATOM 0 H SER A 34 -4.262 2.441 -8.971 1.00 0.00 H new ATOM 0 HA SER A 34 -2.653 1.946 -11.422 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.618 4.200 -10.826 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.719 3.973 -12.313 1.00 0.00 H new ATOM 0 HG SER A 34 -5.733 2.235 -11.228 1.00 0.00 H new ATOM 505 N SER A 35 -1.151 4.008 -10.994 1.00 0.00 N ATOM 506 CA SER A 35 -0.003 4.818 -10.581 1.00 0.00 C ATOM 507 C SER A 35 -0.417 5.965 -9.654 1.00 0.00 C ATOM 508 O SER A 35 0.176 6.160 -8.596 1.00 0.00 O ATOM 509 CB SER A 35 0.706 5.381 -11.821 1.00 0.00 C ATOM 510 OG SER A 35 0.969 4.357 -12.766 1.00 0.00 O ATOM 0 H SER A 35 -1.190 3.833 -11.998 1.00 0.00 H new ATOM 0 HA SER A 35 0.677 4.173 -10.025 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.087 6.153 -12.279 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.641 5.856 -11.525 1.00 0.00 H new ATOM 0 HG SER A 35 1.419 4.741 -13.547 1.00 0.00 H new ATOM 516 N PHE A 36 -1.448 6.707 -10.049 1.00 0.00 N ATOM 517 CA PHE A 36 -1.900 7.867 -9.277 1.00 0.00 C ATOM 518 C PHE A 36 -2.297 7.469 -7.853 1.00 0.00 C ATOM 519 O PHE A 36 -2.119 8.238 -6.911 1.00 0.00 O ATOM 520 CB PHE A 36 -3.074 8.559 -9.983 1.00 0.00 C ATOM 521 CG PHE A 36 -2.720 9.100 -11.347 1.00 0.00 C ATOM 522 CD1 PHE A 36 -1.954 10.253 -11.474 1.00 0.00 C ATOM 523 CD2 PHE A 36 -3.145 8.455 -12.499 1.00 0.00 C ATOM 524 CE1 PHE A 36 -1.622 10.748 -12.721 1.00 0.00 C ATOM 525 CE2 PHE A 36 -2.815 8.948 -13.748 1.00 0.00 C ATOM 526 CZ PHE A 36 -2.053 10.095 -13.858 1.00 0.00 C ATOM 0 H PHE A 36 -1.987 6.529 -10.897 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.067 8.567 -9.211 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.896 7.850 -10.084 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.433 9.377 -9.358 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.614 10.768 -10.588 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.740 7.557 -12.420 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.026 11.645 -12.806 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.153 8.437 -14.637 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.795 10.481 -14.833 1.00 0.00 H new ATOM 536 N ALA A 37 -2.823 6.258 -7.707 1.00 0.00 N ATOM 537 CA ALA A 37 -3.248 5.753 -6.406 1.00 0.00 C ATOM 538 C ALA A 37 -2.050 5.280 -5.586 1.00 0.00 C ATOM 539 O ALA A 37 -1.958 5.557 -4.389 1.00 0.00 O ATOM 540 CB ALA A 37 -4.254 4.621 -6.582 1.00 0.00 C ATOM 0 H ALA A 37 -2.966 5.605 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.728 6.568 -5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.563 4.253 -5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.126 4.990 -7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.794 3.810 -7.146 1.00 0.00 H new ATOM 546 N SER A 38 -1.132 4.579 -6.244 1.00 0.00 N ATOM 547 CA SER A 38 0.012 3.978 -5.567 1.00 0.00 C ATOM 548 C SER A 38 1.008 5.044 -5.115 1.00 0.00 C ATOM 549 O SER A 38 1.474 5.027 -3.974 1.00 0.00 O ATOM 550 CB SER A 38 0.696 2.960 -6.489 1.00 0.00 C ATOM 551 OG SER A 38 1.049 3.551 -7.729 1.00 0.00 O ATOM 0 H SER A 38 -1.159 4.413 -7.250 1.00 0.00 H new ATOM 0 HA SER A 38 -0.351 3.462 -4.678 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.589 2.567 -6.003 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.029 2.115 -6.662 1.00 0.00 H new ATOM 0 HG SER A 38 0.547 4.384 -7.849 1.00 0.00 H new ATOM 557 N VAL A 39 1.324 5.976 -6.010 1.00 0.00 N ATOM 558 CA VAL A 39 2.281 7.040 -5.714 1.00 0.00 C ATOM 559 C VAL A 39 1.851 7.830 -4.479 1.00 0.00 C ATOM 560 O VAL A 39 2.630 8.002 -3.540 1.00 0.00 O ATOM 561 CB VAL A 39 2.458 8.009 -6.914 1.00 0.00 C ATOM 562 CG1 VAL A 39 3.389 9.168 -6.554 1.00 0.00 C ATOM 563 CG2 VAL A 39 2.978 7.259 -8.140 1.00 0.00 C ATOM 0 H VAL A 39 0.930 6.016 -6.950 1.00 0.00 H new ATOM 0 HA VAL A 39 3.239 6.559 -5.519 1.00 0.00 H new ATOM 0 HB VAL A 39 1.481 8.427 -7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.494 9.830 -7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.970 9.725 -5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.367 8.776 -6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.095 7.956 -8.970 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.942 6.806 -7.908 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.268 6.480 -8.418 1.00 0.00 H new ATOM 573 N GLN A 40 0.600 8.279 -4.473 1.00 0.00 N ATOM 574 CA GLN A 40 0.082 9.084 -3.370 1.00 0.00 C ATOM 575 C GLN A 40 0.131 8.294 -2.062 1.00 0.00 C ATOM 576 O GLN A 40 0.389 8.852 -0.992 1.00 0.00 O ATOM 577 CB GLN A 40 -1.353 9.544 -3.669 1.00 0.00 C ATOM 578 CG GLN A 40 -1.900 10.560 -2.669 1.00 0.00 C ATOM 579 CD GLN A 40 -1.105 11.856 -2.665 1.00 0.00 C ATOM 580 OE1 GLN A 40 -0.134 12.003 -1.923 1.00 0.00 O ATOM 581 NE2 GLN A 40 -1.509 12.808 -3.492 1.00 0.00 N ATOM 0 H GLN A 40 -0.074 8.100 -5.218 1.00 0.00 H new ATOM 0 HA GLN A 40 0.711 9.967 -3.262 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.383 9.980 -4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.008 8.673 -3.681 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.941 10.777 -2.908 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.886 10.125 -1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.318 12.652 -4.093 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.011 13.697 -3.528 1.00 0.00 H new ATOM 590 N LEU A 41 -0.101 6.986 -2.166 1.00 0.00 N ATOM 591 CA LEU A 41 -0.022 6.090 -1.014 1.00 0.00 C ATOM 592 C LEU A 41 1.370 6.172 -0.386 1.00 0.00 C ATOM 593 O LEU A 41 1.508 6.193 0.838 1.00 0.00 O ATOM 594 CB LEU A 41 -0.374 4.637 -1.444 1.00 0.00 C ATOM 595 CG LEU A 41 0.712 3.551 -1.235 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.802 3.111 0.227 1.00 0.00 C ATOM 597 CD2 LEU A 41 0.454 2.347 -2.141 1.00 0.00 C ATOM 0 H LEU A 41 -0.346 6.522 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.747 6.398 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.267 4.331 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.636 4.652 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 41 1.671 3.994 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.575 2.349 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.053 3.969 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.157 2.701 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.228 1.597 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.521 1.919 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.471 2.666 -3.183 1.00 0.00 H new ATOM 609 N MET A 42 2.396 6.252 -1.233 1.00 0.00 N ATOM 610 CA MET A 42 3.782 6.256 -0.768 1.00 0.00 C ATOM 611 C MET A 42 4.067 7.514 0.047 1.00 0.00 C ATOM 612 O MET A 42 4.538 7.436 1.183 1.00 0.00 O ATOM 613 CB MET A 42 4.759 6.177 -1.951 1.00 0.00 C ATOM 614 CG MET A 42 4.398 5.123 -2.987 1.00 0.00 C ATOM 615 SD MET A 42 5.711 4.860 -4.198 1.00 0.00 S ATOM 616 CE MET A 42 5.977 6.531 -4.792 1.00 0.00 C ATOM 0 H MET A 42 2.293 6.315 -2.246 1.00 0.00 H new ATOM 0 HA MET A 42 3.925 5.379 -0.137 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.801 7.151 -2.439 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.758 5.968 -1.569 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.181 4.182 -2.482 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.487 5.424 -3.504 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.208 6.506 -5.857 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.076 7.122 -4.630 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.809 6.982 -4.251 1.00 0.00 H new ATOM 626 N LEU A 43 3.757 8.669 -0.537 1.00 0.00 N ATOM 627 CA LEU A 43 4.032 9.956 0.098 1.00 0.00 C ATOM 628 C LEU A 43 3.312 10.072 1.441 1.00 0.00 C ATOM 629 O LEU A 43 3.910 10.485 2.439 1.00 0.00 O ATOM 630 CB LEU A 43 3.633 11.125 -0.825 1.00 0.00 C ATOM 631 CG LEU A 43 4.591 11.409 -2.000 1.00 0.00 C ATOM 632 CD1 LEU A 43 5.999 11.698 -1.491 1.00 0.00 C ATOM 633 CD2 LEU A 43 4.602 10.258 -3.005 1.00 0.00 C ATOM 0 H LEU A 43 3.313 8.740 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 43 5.106 10.011 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.642 10.921 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.551 12.029 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 43 4.224 12.295 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.658 11.895 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.978 12.569 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.369 10.836 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.288 10.492 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.928 9.344 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.598 10.115 -3.406 1.00 0.00 H new ATOM 645 N GLY A 44 2.038 9.686 1.463 1.00 0.00 N ATOM 646 CA GLY A 44 1.256 9.781 2.682 1.00 0.00 C ATOM 647 C GLY A 44 1.758 8.832 3.755 1.00 0.00 C ATOM 648 O GLY A 44 1.878 9.205 4.919 1.00 0.00 O ATOM 0 H GLY A 44 1.535 9.310 0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.292 10.804 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.212 9.559 2.461 1.00 0.00 H new ATOM 652 N ILE A 45 2.059 7.602 3.352 1.00 0.00 N ATOM 653 CA ILE A 45 2.557 6.583 4.272 1.00 0.00 C ATOM 654 C ILE A 45 3.944 6.961 4.808 1.00 0.00 C ATOM 655 O ILE A 45 4.275 6.671 5.964 1.00 0.00 O ATOM 656 CB ILE A 45 2.573 5.181 3.585 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.256 4.424 3.859 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.781 4.345 4.008 1.00 0.00 C ATOM 659 CD1 ILE A 45 1.013 4.119 5.324 1.00 0.00 C ATOM 0 H ILE A 45 1.966 7.284 2.387 1.00 0.00 H new ATOM 0 HA ILE A 45 1.879 6.528 5.124 1.00 0.00 H new ATOM 0 HB ILE A 45 2.661 5.348 2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.423 5.015 3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.264 3.488 3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.749 3.379 3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.698 4.867 3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.758 4.193 5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.068 3.586 5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.825 3.500 5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.971 5.051 5.888 1.00 0.00 H new ATOM 671 N GLU A 46 4.733 7.632 3.973 1.00 0.00 N ATOM 672 CA GLU A 46 6.065 8.090 4.361 1.00 0.00 C ATOM 673 C GLU A 46 5.980 9.025 5.566 1.00 0.00 C ATOM 674 O GLU A 46 6.618 8.798 6.595 1.00 0.00 O ATOM 675 CB GLU A 46 6.744 8.805 3.185 1.00 0.00 C ATOM 676 CG GLU A 46 8.098 9.418 3.528 1.00 0.00 C ATOM 677 CD GLU A 46 8.795 10.029 2.322 1.00 0.00 C ATOM 678 OE1 GLU A 46 8.196 10.907 1.662 1.00 0.00 O ATOM 679 OE2 GLU A 46 9.945 9.635 2.027 1.00 0.00 O ATOM 0 H GLU A 46 4.471 7.872 3.017 1.00 0.00 H new ATOM 0 HA GLU A 46 6.662 7.221 4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.875 8.095 2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.083 9.591 2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.961 10.186 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.739 8.650 3.961 1.00 0.00 H new ATOM 686 N GLU A 47 5.172 10.067 5.435 1.00 0.00 N ATOM 687 CA GLU A 47 4.974 11.034 6.512 1.00 0.00 C ATOM 688 C GLU A 47 4.190 10.403 7.665 1.00 0.00 C ATOM 689 O GLU A 47 4.354 10.792 8.827 1.00 0.00 O ATOM 690 CB GLU A 47 4.264 12.291 5.984 1.00 0.00 C ATOM 691 CG GLU A 47 2.949 12.007 5.271 1.00 0.00 C ATOM 692 CD GLU A 47 2.276 13.265 4.753 1.00 0.00 C ATOM 693 OE1 GLU A 47 2.723 13.807 3.720 1.00 0.00 O ATOM 694 OE2 GLU A 47 1.301 13.728 5.380 1.00 0.00 O ATOM 0 H GLU A 47 4.639 10.268 4.589 1.00 0.00 H new ATOM 0 HA GLU A 47 5.951 11.333 6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.074 12.966 6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.932 12.812 5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.132 11.329 4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.273 11.495 5.956 1.00 0.00 H new ATOM 701 N ALA A 48 3.338 9.431 7.332 1.00 0.00 N ATOM 702 CA ALA A 48 2.445 8.811 8.305 1.00 0.00 C ATOM 703 C ALA A 48 3.197 8.151 9.464 1.00 0.00 C ATOM 704 O ALA A 48 2.885 8.421 10.627 1.00 0.00 O ATOM 705 CB ALA A 48 1.542 7.788 7.623 1.00 0.00 C ATOM 0 H ALA A 48 3.250 9.056 6.387 1.00 0.00 H new ATOM 0 HA ALA A 48 1.839 9.613 8.728 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.882 7.335 8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.944 8.283 6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.154 7.014 7.160 1.00 0.00 H new ATOM 711 N PHE A 49 4.193 7.300 9.179 1.00 0.00 N ATOM 712 CA PHE A 49 4.870 6.586 10.271 1.00 0.00 C ATOM 713 C PHE A 49 6.397 6.739 10.249 1.00 0.00 C ATOM 714 O PHE A 49 7.012 6.806 11.316 1.00 0.00 O ATOM 715 CB PHE A 49 4.464 5.097 10.302 1.00 0.00 C ATOM 716 CG PHE A 49 5.055 4.224 9.216 1.00 0.00 C ATOM 717 CD1 PHE A 49 6.296 3.616 9.386 1.00 0.00 C ATOM 718 CD2 PHE A 49 4.357 3.982 8.041 1.00 0.00 C ATOM 719 CE1 PHE A 49 6.825 2.796 8.408 1.00 0.00 C ATOM 720 CE2 PHE A 49 4.884 3.158 7.064 1.00 0.00 C ATOM 721 CZ PHE A 49 6.117 2.567 7.246 1.00 0.00 C ATOM 0 H PHE A 49 4.537 7.094 8.241 1.00 0.00 H new ATOM 0 HA PHE A 49 4.531 7.060 11.192 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.750 4.683 11.269 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.378 5.036 10.238 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.853 3.788 10.295 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.392 4.442 7.888 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.791 2.335 8.553 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.329 2.976 6.156 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.528 1.926 6.480 1.00 0.00 H new ATOM 731 N ASP A 50 7.010 6.829 9.062 1.00 0.00 N ATOM 732 CA ASP A 50 8.476 6.965 8.978 1.00 0.00 C ATOM 733 C ASP A 50 8.945 7.108 7.529 1.00 0.00 C ATOM 734 O ASP A 50 9.410 8.178 7.121 1.00 0.00 O ATOM 735 CB ASP A 50 9.183 5.764 9.642 1.00 0.00 C ATOM 736 CG ASP A 50 10.656 6.032 9.946 1.00 0.00 C ATOM 737 OD1 ASP A 50 10.939 6.815 10.881 1.00 0.00 O ATOM 738 OD2 ASP A 50 11.535 5.462 9.267 1.00 0.00 O ATOM 0 H ASP A 50 6.529 6.811 8.163 1.00 0.00 H new ATOM 0 HA ASP A 50 8.745 7.874 9.516 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.667 5.512 10.568 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.105 4.896 8.987 1.00 0.00 H new ATOM 743 N ILE A 51 8.820 6.031 6.749 1.00 0.00 N ATOM 744 CA ILE A 51 9.297 6.021 5.359 1.00 0.00 C ATOM 745 C ILE A 51 8.282 5.365 4.426 1.00 0.00 C ATOM 746 O ILE A 51 7.304 4.765 4.874 1.00 0.00 O ATOM 747 CB ILE A 51 10.665 5.287 5.193 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.533 3.750 5.354 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.704 5.844 6.162 1.00 0.00 C ATOM 750 CD1 ILE A 51 10.005 3.282 6.700 1.00 0.00 C ATOM 0 H ILE A 51 8.394 5.156 7.053 1.00 0.00 H new ATOM 0 HA ILE A 51 9.430 7.069 5.091 1.00 0.00 H new ATOM 0 HB ILE A 51 11.003 5.475 4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.872 3.375 4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.511 3.298 5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.648 5.316 6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.851 6.906 5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.356 5.708 7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.950 2.193 6.711 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.675 3.620 7.491 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.011 3.697 6.865 1.00 0.00 H new ATOM 762 N GLU A 52 8.530 5.499 3.126 1.00 0.00 N ATOM 763 CA GLU A 52 7.733 4.839 2.098 1.00 0.00 C ATOM 764 C GLU A 52 8.459 3.600 1.581 1.00 0.00 C ATOM 765 O GLU A 52 9.630 3.376 1.898 1.00 0.00 O ATOM 766 CB GLU A 52 7.394 5.804 0.941 1.00 0.00 C ATOM 767 CG GLU A 52 8.455 6.866 0.640 1.00 0.00 C ATOM 768 CD GLU A 52 9.826 6.299 0.313 1.00 0.00 C ATOM 769 OE1 GLU A 52 10.078 5.970 -0.865 1.00 0.00 O ATOM 770 OE2 GLU A 52 10.667 6.200 1.232 1.00 0.00 O ATOM 0 H GLU A 52 9.290 6.069 2.756 1.00 0.00 H new ATOM 0 HA GLU A 52 6.790 4.527 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.225 5.217 0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.456 6.308 1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.116 7.475 -0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.544 7.529 1.500 1.00 0.00 H new ATOM 777 N PHE A 53 7.749 2.790 0.810 1.00 0.00 N ATOM 778 CA PHE A 53 8.296 1.548 0.282 1.00 0.00 C ATOM 779 C PHE A 53 9.410 1.835 -0.727 1.00 0.00 C ATOM 780 O PHE A 53 9.202 2.563 -1.700 1.00 0.00 O ATOM 781 CB PHE A 53 7.179 0.725 -0.360 1.00 0.00 C ATOM 782 CG PHE A 53 6.017 0.498 0.572 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.183 -0.244 1.734 1.00 0.00 C ATOM 784 CD2 PHE A 53 4.768 1.039 0.301 1.00 0.00 C ATOM 785 CE1 PHE A 53 5.128 -0.444 2.600 1.00 0.00 C ATOM 786 CE2 PHE A 53 3.711 0.842 1.166 1.00 0.00 C ATOM 787 CZ PHE A 53 3.891 0.099 2.315 1.00 0.00 C ATOM 0 H PHE A 53 6.784 2.973 0.534 1.00 0.00 H new ATOM 0 HA PHE A 53 8.728 0.974 1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.827 1.235 -1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.579 -0.238 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.149 -0.669 1.962 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.622 1.621 -0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.269 -1.025 3.500 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.744 1.269 0.944 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.064 -0.058 2.992 1.00 0.00 H new ATOM 797 N PRO A 54 10.608 1.262 -0.503 1.00 0.00 N ATOM 798 CA PRO A 54 11.791 1.535 -1.334 1.00 0.00 C ATOM 799 C PRO A 54 11.639 1.026 -2.772 1.00 0.00 C ATOM 800 O PRO A 54 10.951 0.032 -3.026 1.00 0.00 O ATOM 801 CB PRO A 54 12.917 0.792 -0.599 1.00 0.00 C ATOM 802 CG PRO A 54 12.223 -0.293 0.149 1.00 0.00 C ATOM 803 CD PRO A 54 10.907 0.294 0.573 1.00 0.00 C ATOM 0 HA PRO A 54 11.973 2.604 -1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.648 0.387 -1.299 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.456 1.457 0.076 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.077 -1.172 -0.479 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.808 -0.611 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.133 -0.469 0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.978 0.782 1.545 1.00 0.00 H new ATOM 811 N ASP A 55 12.312 1.711 -3.694 1.00 0.00 N ATOM 812 CA ASP A 55 12.237 1.422 -5.131 1.00 0.00 C ATOM 813 C ASP A 55 12.560 -0.044 -5.430 1.00 0.00 C ATOM 814 O ASP A 55 12.020 -0.630 -6.374 1.00 0.00 O ATOM 815 CB ASP A 55 13.209 2.340 -5.884 1.00 0.00 C ATOM 816 CG ASP A 55 13.146 2.169 -7.393 1.00 0.00 C ATOM 817 OD1 ASP A 55 12.310 2.839 -8.035 1.00 0.00 O ATOM 818 OD2 ASP A 55 13.946 1.382 -7.947 1.00 0.00 O ATOM 0 H ASP A 55 12.931 2.489 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 55 11.216 1.607 -5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.988 3.377 -5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 55 14.225 2.140 -5.544 1.00 0.00 H new ATOM 823 N ASN A 56 13.428 -0.625 -4.605 1.00 0.00 N ATOM 824 CA ASN A 56 13.873 -2.014 -4.758 1.00 0.00 C ATOM 825 C ASN A 56 12.680 -2.966 -4.910 1.00 0.00 C ATOM 826 O ASN A 56 12.663 -3.819 -5.799 1.00 0.00 O ATOM 827 CB ASN A 56 14.738 -2.411 -3.545 1.00 0.00 C ATOM 828 CG ASN A 56 15.388 -3.790 -3.658 1.00 0.00 C ATOM 829 OD1 ASN A 56 14.838 -4.719 -4.245 1.00 0.00 O ATOM 830 ND2 ASN A 56 16.581 -3.924 -3.095 1.00 0.00 N ATOM 0 H ASN A 56 13.846 -0.146 -3.807 1.00 0.00 H new ATOM 0 HA ASN A 56 14.470 -2.093 -5.667 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.520 -1.664 -3.412 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.118 -2.387 -2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.070 -4.818 -3.142 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.010 -3.133 -2.615 1.00 0.00 H new ATOM 837 N LEU A 57 11.670 -2.793 -4.060 1.00 0.00 N ATOM 838 CA LEU A 57 10.507 -3.686 -4.053 1.00 0.00 C ATOM 839 C LEU A 57 9.263 -2.993 -4.611 1.00 0.00 C ATOM 840 O LEU A 57 8.206 -3.612 -4.741 1.00 0.00 O ATOM 841 CB LEU A 57 10.254 -4.215 -2.625 1.00 0.00 C ATOM 842 CG LEU A 57 10.172 -3.154 -1.501 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.862 -2.366 -1.557 1.00 0.00 C ATOM 844 CD2 LEU A 57 10.348 -3.807 -0.130 1.00 0.00 C ATOM 0 H LEU A 57 11.631 -2.045 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 57 10.723 -4.532 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.322 -4.779 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.050 -4.917 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 57 10.986 -2.447 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.844 -1.632 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.786 -1.854 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.021 -3.050 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.287 -3.045 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.562 -4.546 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.321 -4.297 -0.082 1.00 0.00 H new ATOM 856 N LEU A 58 9.402 -1.714 -4.955 1.00 0.00 N ATOM 857 CA LEU A 58 8.273 -0.901 -5.412 1.00 0.00 C ATOM 858 C LEU A 58 7.628 -1.520 -6.656 1.00 0.00 C ATOM 859 O LEU A 58 6.404 -1.590 -6.766 1.00 0.00 O ATOM 860 CB LEU A 58 8.751 0.539 -5.695 1.00 0.00 C ATOM 861 CG LEU A 58 7.663 1.638 -5.724 1.00 0.00 C ATOM 862 CD1 LEU A 58 8.305 3.023 -5.676 1.00 0.00 C ATOM 863 CD2 LEU A 58 6.773 1.519 -6.961 1.00 0.00 C ATOM 0 H LEU A 58 10.291 -1.214 -4.926 1.00 0.00 H new ATOM 0 HA LEU A 58 7.516 -0.871 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.487 0.808 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.266 0.544 -6.656 1.00 0.00 H new ATOM 0 HG LEU A 58 7.035 1.501 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.527 3.786 -5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.886 3.123 -4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.961 3.150 -6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.021 2.308 -6.946 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.383 1.617 -7.859 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.279 0.547 -6.962 1.00 0.00 H new ATOM 875 N ASN A 59 8.460 -1.992 -7.575 1.00 0.00 N ATOM 876 CA ASN A 59 7.978 -2.518 -8.855 1.00 0.00 C ATOM 877 C ASN A 59 7.784 -4.038 -8.788 1.00 0.00 C ATOM 878 O ASN A 59 7.637 -4.708 -9.816 1.00 0.00 O ATOM 879 CB ASN A 59 8.979 -2.150 -9.966 1.00 0.00 C ATOM 880 CG ASN A 59 8.466 -2.461 -11.363 1.00 0.00 C ATOM 881 OD1 ASN A 59 7.263 -2.401 -11.628 1.00 0.00 O ATOM 882 ND2 ASN A 59 9.376 -2.781 -12.272 1.00 0.00 N ATOM 0 H ASN A 59 9.473 -2.023 -7.462 1.00 0.00 H new ATOM 0 HA ASN A 59 7.009 -2.071 -9.078 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.211 -1.087 -9.900 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.911 -2.690 -9.800 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.090 -2.988 -13.229 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.362 -2.820 -12.015 1.00 0.00 H new ATOM 889 N ARG A 60 7.750 -4.585 -7.575 1.00 0.00 N ATOM 890 CA ARG A 60 7.701 -6.036 -7.388 1.00 0.00 C ATOM 891 C ARG A 60 6.368 -6.485 -6.783 1.00 0.00 C ATOM 892 O ARG A 60 5.510 -5.663 -6.453 1.00 0.00 O ATOM 893 CB ARG A 60 8.874 -6.488 -6.506 1.00 0.00 C ATOM 894 CG ARG A 60 10.254 -6.122 -7.064 1.00 0.00 C ATOM 895 CD ARG A 60 10.678 -6.988 -8.257 1.00 0.00 C ATOM 896 NE ARG A 60 9.790 -6.843 -9.419 1.00 0.00 N ATOM 897 CZ ARG A 60 10.190 -6.443 -10.631 1.00 0.00 C ATOM 898 NH1 ARG A 60 11.445 -6.052 -10.831 1.00 0.00 N ATOM 899 NH2 ARG A 60 9.320 -6.404 -11.631 1.00 0.00 N ATOM 0 H ARG A 60 7.755 -4.048 -6.708 1.00 0.00 H new ATOM 0 HA ARG A 60 7.786 -6.506 -8.368 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.764 -6.042 -5.517 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.821 -7.569 -6.376 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.249 -5.075 -7.368 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.996 -6.220 -6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.694 -6.722 -8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.698 -8.034 -7.950 1.00 0.00 H new ATOM 0 HE ARG A 60 8.802 -7.062 -9.293 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.110 -6.056 -10.057 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.743 -5.748 -11.758 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.350 -6.678 -11.474 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.621 -6.100 -12.557 1.00 0.00 H new ATOM 913 N LYS A 61 6.219 -7.804 -6.630 1.00 0.00 N ATOM 914 CA LYS A 61 4.977 -8.420 -6.143 1.00 0.00 C ATOM 915 C LYS A 61 4.590 -7.937 -4.742 1.00 0.00 C ATOM 916 O LYS A 61 3.502 -8.250 -4.255 1.00 0.00 O ATOM 917 CB LYS A 61 5.101 -9.950 -6.139 1.00 0.00 C ATOM 918 CG LYS A 61 6.189 -10.481 -5.209 1.00 0.00 C ATOM 919 CD LYS A 61 6.147 -12.003 -5.092 1.00 0.00 C ATOM 920 CE LYS A 61 6.337 -12.689 -6.440 1.00 0.00 C ATOM 921 NZ LYS A 61 6.304 -14.171 -6.315 1.00 0.00 N ATOM 0 H LYS A 61 6.956 -8.477 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 61 4.188 -8.113 -6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.144 -10.381 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.306 -10.291 -7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.166 -10.173 -5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.069 -10.038 -4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.925 -12.335 -4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.192 -12.307 -4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.555 -12.365 -7.126 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.289 -12.382 -6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.437 -14.601 -7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.066 -14.483 -5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.386 -14.466 -5.925 1.00 0.00 H new ATOM 935 N SER A 62 5.482 -7.201 -4.091 1.00 0.00 N ATOM 936 CA SER A 62 5.216 -6.658 -2.765 1.00 0.00 C ATOM 937 C SER A 62 3.910 -5.849 -2.746 1.00 0.00 C ATOM 938 O SER A 62 3.162 -5.885 -1.769 1.00 0.00 O ATOM 939 CB SER A 62 6.398 -5.792 -2.324 1.00 0.00 C ATOM 940 OG SER A 62 7.604 -6.540 -2.344 1.00 0.00 O ATOM 0 H SER A 62 6.402 -6.965 -4.463 1.00 0.00 H new ATOM 0 HA SER A 62 5.095 -7.485 -2.065 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.489 -4.929 -2.984 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.219 -5.408 -1.320 1.00 0.00 H new ATOM 0 HG SER A 62 8.148 -6.304 -1.564 1.00 0.00 H new ATOM 946 N PHE A 63 3.630 -5.141 -3.840 1.00 0.00 N ATOM 947 CA PHE A 63 2.401 -4.345 -3.949 1.00 0.00 C ATOM 948 C PHE A 63 1.221 -5.208 -4.404 1.00 0.00 C ATOM 949 O PHE A 63 0.073 -4.761 -4.401 1.00 0.00 O ATOM 950 CB PHE A 63 2.607 -3.166 -4.913 1.00 0.00 C ATOM 951 CG PHE A 63 3.404 -2.030 -4.316 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.743 -2.195 -3.988 1.00 0.00 C ATOM 953 CD2 PHE A 63 2.807 -0.800 -4.068 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.466 -1.158 -3.432 1.00 0.00 C ATOM 955 CE2 PHE A 63 3.528 0.239 -3.510 1.00 0.00 C ATOM 956 CZ PHE A 63 4.859 0.059 -3.192 1.00 0.00 C ATOM 0 H PHE A 63 4.233 -5.100 -4.662 1.00 0.00 H new ATOM 0 HA PHE A 63 2.168 -3.951 -2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.115 -3.524 -5.809 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.633 -2.790 -5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.224 -3.145 -4.170 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.766 -0.654 -4.315 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.508 -1.299 -3.184 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.051 1.190 -3.323 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.425 0.869 -2.756 1.00 0.00 H new ATOM 966 N ALA A 64 1.511 -6.445 -4.794 1.00 0.00 N ATOM 967 CA ALA A 64 0.481 -7.395 -5.203 1.00 0.00 C ATOM 968 C ALA A 64 0.043 -8.259 -4.020 1.00 0.00 C ATOM 969 O ALA A 64 -0.904 -9.043 -4.124 1.00 0.00 O ATOM 970 CB ALA A 64 0.999 -8.269 -6.339 1.00 0.00 C ATOM 0 H ALA A 64 2.460 -6.816 -4.836 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.387 -6.837 -5.556 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.224 -8.975 -6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.265 -7.641 -7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.879 -8.817 -6.004 1.00 0.00 H new ATOM 976 N SER A 65 0.741 -8.106 -2.896 1.00 0.00 N ATOM 977 CA SER A 65 0.446 -8.863 -1.686 1.00 0.00 C ATOM 978 C SER A 65 0.926 -8.094 -0.451 1.00 0.00 C ATOM 979 O SER A 65 2.108 -8.131 -0.100 1.00 0.00 O ATOM 980 CB SER A 65 1.100 -10.251 -1.764 1.00 0.00 C ATOM 981 OG SER A 65 2.474 -10.152 -2.103 1.00 0.00 O ATOM 0 H SER A 65 1.522 -7.457 -2.801 1.00 0.00 H new ATOM 0 HA SER A 65 -0.632 -8.998 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.995 -10.760 -0.806 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.582 -10.859 -2.506 1.00 0.00 H new ATOM 0 HG SER A 65 2.866 -11.049 -2.144 1.00 0.00 H new ATOM 987 N ILE A 66 0.003 -7.386 0.200 1.00 0.00 N ATOM 988 CA ILE A 66 0.353 -6.509 1.316 1.00 0.00 C ATOM 989 C ILE A 66 0.970 -7.293 2.476 1.00 0.00 C ATOM 990 O ILE A 66 1.959 -6.857 3.065 1.00 0.00 O ATOM 991 CB ILE A 66 -0.870 -5.704 1.819 1.00 0.00 C ATOM 992 CG1 ILE A 66 -1.416 -4.809 0.695 1.00 0.00 C ATOM 993 CG2 ILE A 66 -0.509 -4.868 3.051 1.00 0.00 C ATOM 994 CD1 ILE A 66 -2.648 -4.017 1.085 1.00 0.00 C ATOM 0 H ILE A 66 -0.991 -7.403 -0.026 1.00 0.00 H new ATOM 0 HA ILE A 66 1.095 -5.807 0.937 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.648 -6.409 2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.634 -4.116 0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.654 -5.431 -0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.386 -4.313 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.171 -5.526 3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.288 -4.169 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.973 -3.410 0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.447 -4.703 1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.411 -3.368 1.928 1.00 0.00 H new ATOM 1006 N LYS A 67 0.401 -8.457 2.788 1.00 0.00 N ATOM 1007 CA LYS A 67 0.922 -9.296 3.872 1.00 0.00 C ATOM 1008 C LYS A 67 2.409 -9.601 3.666 1.00 0.00 C ATOM 1009 O LYS A 67 3.145 -9.830 4.627 1.00 0.00 O ATOM 1010 CB LYS A 67 0.132 -10.610 4.018 1.00 0.00 C ATOM 1011 CG LYS A 67 0.193 -11.550 2.811 1.00 0.00 C ATOM 1012 CD LYS A 67 -0.850 -11.206 1.751 1.00 0.00 C ATOM 1013 CE LYS A 67 -0.826 -12.196 0.592 1.00 0.00 C ATOM 1014 NZ LYS A 67 -1.001 -13.602 1.044 1.00 0.00 N ATOM 0 H LYS A 67 -0.415 -8.840 2.311 1.00 0.00 H new ATOM 0 HA LYS A 67 0.801 -8.728 4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.506 -11.144 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.912 -10.367 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.187 -11.502 2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.042 -12.576 3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.841 -11.201 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.667 -10.200 1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.617 -11.943 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.120 -12.104 0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.231 -14.203 0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.120 -13.938 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.774 -13.650 1.738 1.00 0.00 H new ATOM 1028 N ALA A 68 2.844 -9.610 2.410 1.00 0.00 N ATOM 1029 CA ALA A 68 4.239 -9.880 2.084 1.00 0.00 C ATOM 1030 C ALA A 68 5.099 -8.627 2.261 1.00 0.00 C ATOM 1031 O ALA A 68 6.217 -8.697 2.777 1.00 0.00 O ATOM 1032 CB ALA A 68 4.356 -10.415 0.661 1.00 0.00 C ATOM 0 H ALA A 68 2.249 -9.433 1.601 1.00 0.00 H new ATOM 0 HA ALA A 68 4.608 -10.639 2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.403 -10.612 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.785 -11.339 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.964 -9.677 -0.039 1.00 0.00 H new ATOM 1038 N ILE A 69 4.576 -7.481 1.827 1.00 0.00 N ATOM 1039 CA ILE A 69 5.330 -6.227 1.873 1.00 0.00 C ATOM 1040 C ILE A 69 5.454 -5.693 3.302 1.00 0.00 C ATOM 1041 O ILE A 69 6.492 -5.138 3.673 1.00 0.00 O ATOM 1042 CB ILE A 69 4.706 -5.140 0.954 1.00 0.00 C ATOM 1043 CG1 ILE A 69 5.685 -3.968 0.756 1.00 0.00 C ATOM 1044 CG2 ILE A 69 3.382 -4.629 1.515 1.00 0.00 C ATOM 1045 CD1 ILE A 69 5.187 -2.918 -0.218 1.00 0.00 C ATOM 0 H ILE A 69 3.636 -7.394 1.440 1.00 0.00 H new ATOM 0 HA ILE A 69 6.329 -6.456 1.501 1.00 0.00 H new ATOM 0 HB ILE A 69 4.508 -5.602 -0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.874 -3.496 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.638 -4.358 0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.973 -3.870 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.678 -5.457 1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.548 -4.194 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.928 -2.124 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.025 -3.375 -1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.249 -2.500 0.146 1.00 0.00 H new ATOM 1057 N GLU A 70 4.403 -5.874 4.108 1.00 0.00 N ATOM 1058 CA GLU A 70 4.393 -5.353 5.473 1.00 0.00 C ATOM 1059 C GLU A 70 5.483 -6.032 6.300 1.00 0.00 C ATOM 1060 O GLU A 70 6.139 -5.393 7.121 1.00 0.00 O ATOM 1061 CB GLU A 70 2.997 -5.493 6.120 1.00 0.00 C ATOM 1062 CG GLU A 70 2.470 -6.923 6.262 1.00 0.00 C ATOM 1063 CD GLU A 70 2.959 -7.639 7.517 1.00 0.00 C ATOM 1064 OE1 GLU A 70 2.729 -7.121 8.633 1.00 0.00 O ATOM 1065 OE2 GLU A 70 3.536 -8.741 7.397 1.00 0.00 O ATOM 0 H GLU A 70 3.556 -6.374 3.839 1.00 0.00 H new ATOM 0 HA GLU A 70 4.612 -4.286 5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.029 -5.037 7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.284 -4.920 5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.380 -6.899 6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.770 -7.499 5.387 1.00 0.00 H new ATOM 1072 N ASP A 71 5.691 -7.319 6.046 1.00 0.00 N ATOM 1073 CA ASP A 71 6.775 -8.072 6.675 1.00 0.00 C ATOM 1074 C ASP A 71 8.120 -7.396 6.411 1.00 0.00 C ATOM 1075 O ASP A 71 8.961 -7.282 7.304 1.00 0.00 O ATOM 1076 CB ASP A 71 6.791 -9.511 6.137 1.00 0.00 C ATOM 1077 CG ASP A 71 8.033 -10.293 6.544 1.00 0.00 C ATOM 1078 OD1 ASP A 71 8.094 -10.775 7.695 1.00 0.00 O ATOM 1079 OD2 ASP A 71 8.949 -10.439 5.708 1.00 0.00 O ATOM 0 H ASP A 71 5.119 -7.868 5.404 1.00 0.00 H new ATOM 0 HA ASP A 71 6.607 -8.095 7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.906 -10.036 6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.727 -9.485 5.049 1.00 0.00 H new ATOM 1084 N THR A 72 8.295 -6.923 5.183 1.00 0.00 N ATOM 1085 CA THR A 72 9.549 -6.310 4.767 1.00 0.00 C ATOM 1086 C THR A 72 9.716 -4.912 5.371 1.00 0.00 C ATOM 1087 O THR A 72 10.810 -4.551 5.811 1.00 0.00 O ATOM 1088 CB THR A 72 9.639 -6.228 3.227 1.00 0.00 C ATOM 1089 OG1 THR A 72 9.335 -7.510 2.659 1.00 0.00 O ATOM 1090 CG2 THR A 72 11.034 -5.792 2.783 1.00 0.00 C ATOM 0 H THR A 72 7.581 -6.953 4.456 1.00 0.00 H new ATOM 0 HA THR A 72 10.356 -6.943 5.136 1.00 0.00 H new ATOM 0 HB THR A 72 8.919 -5.487 2.879 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.379 -7.697 2.767 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.070 -5.742 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.258 -4.810 3.199 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.771 -6.513 3.138 1.00 0.00 H new ATOM 1098 N VAL A 73 8.635 -4.130 5.409 1.00 0.00 N ATOM 1099 CA VAL A 73 8.712 -2.760 5.924 1.00 0.00 C ATOM 1100 C VAL A 73 9.021 -2.762 7.424 1.00 0.00 C ATOM 1101 O VAL A 73 9.675 -1.851 7.935 1.00 0.00 O ATOM 1102 CB VAL A 73 7.425 -1.937 5.637 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.237 -2.462 6.433 1.00 0.00 C ATOM 1104 CG2 VAL A 73 7.658 -0.451 5.919 1.00 0.00 C ATOM 0 H VAL A 73 7.708 -4.416 5.094 1.00 0.00 H new ATOM 0 HA VAL A 73 9.528 -2.271 5.391 1.00 0.00 H new ATOM 0 HB VAL A 73 7.187 -2.052 4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.355 -1.863 6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.049 -3.501 6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.456 -2.398 7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.745 0.106 5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.934 -0.318 6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.461 -0.081 5.282 1.00 0.00 H new ATOM 1114 N LYS A 74 8.568 -3.806 8.125 1.00 0.00 N ATOM 1115 CA LYS A 74 8.912 -3.995 9.535 1.00 0.00 C ATOM 1116 C LYS A 74 10.424 -4.167 9.674 1.00 0.00 C ATOM 1117 O LYS A 74 11.047 -3.640 10.601 1.00 0.00 O ATOM 1118 CB LYS A 74 8.189 -5.225 10.107 1.00 0.00 C ATOM 1119 CG LYS A 74 6.666 -5.130 10.046 1.00 0.00 C ATOM 1120 CD LYS A 74 5.997 -6.460 10.392 1.00 0.00 C ATOM 1121 CE LYS A 74 6.135 -6.813 11.869 1.00 0.00 C ATOM 1122 NZ LYS A 74 5.371 -5.877 12.737 1.00 0.00 N ATOM 0 H LYS A 74 7.963 -4.531 7.739 1.00 0.00 H new ATOM 0 HA LYS A 74 8.593 -3.116 10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.510 -6.111 9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.494 -5.364 11.144 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.322 -4.360 10.737 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.361 -4.820 9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.940 -6.411 10.130 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.438 -7.253 9.789 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.782 -7.831 12.033 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.188 -6.792 12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.306 -6.269 13.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.858 -4.959 12.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.414 -5.748 12.351 1.00 0.00 H new ATOM 1136 N LEU A 75 11.006 -4.896 8.723 1.00 0.00 N ATOM 1137 CA LEU A 75 12.447 -5.132 8.692 1.00 0.00 C ATOM 1138 C LEU A 75 13.201 -3.837 8.388 1.00 0.00 C ATOM 1139 O LEU A 75 14.320 -3.635 8.865 1.00 0.00 O ATOM 1140 CB LEU A 75 12.791 -6.205 7.647 1.00 0.00 C ATOM 1141 CG LEU A 75 12.150 -7.586 7.881 1.00 0.00 C ATOM 1142 CD1 LEU A 75 12.460 -8.530 6.722 1.00 0.00 C ATOM 1143 CD2 LEU A 75 12.617 -8.183 9.210 1.00 0.00 C ATOM 0 H LEU A 75 10.495 -5.337 7.958 1.00 0.00 H new ATOM 0 HA LEU A 75 12.756 -5.488 9.675 1.00 0.00 H new ATOM 0 HB2 LEU A 75 12.485 -5.843 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.874 -6.326 7.619 1.00 0.00 H new ATOM 0 HG LEU A 75 11.069 -7.455 7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.998 -9.499 6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.065 -8.112 5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 75 13.539 -8.654 6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.152 -9.158 9.354 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.701 -8.297 9.197 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.331 -7.520 10.027 1.00 0.00 H new ATOM 1155 N ILE A 76 12.583 -2.962 7.592 1.00 0.00 N ATOM 1156 CA ILE A 76 13.157 -1.649 7.302 1.00 0.00 C ATOM 1157 C ILE A 76 13.332 -0.863 8.599 1.00 0.00 C ATOM 1158 O ILE A 76 14.384 -0.262 8.839 1.00 0.00 O ATOM 1159 CB ILE A 76 12.267 -0.834 6.326 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.116 -1.567 4.980 1.00 0.00 C ATOM 1161 CG2 ILE A 76 12.840 0.569 6.112 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.209 -0.854 3.995 1.00 0.00 C ATOM 0 H ILE A 76 11.687 -3.139 7.138 1.00 0.00 H new ATOM 0 HA ILE A 76 14.124 -1.810 6.826 1.00 0.00 H new ATOM 0 HB ILE A 76 11.278 -0.736 6.774 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.101 -1.689 4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.723 -2.567 5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.200 1.122 5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 76 12.886 1.093 7.067 1.00 0.00 H new ATOM 0 HG23 ILE A 76 13.843 0.492 5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.151 -1.429 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.212 -0.756 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.611 0.136 3.781 1.00 0.00 H new ATOM 1174 N LEU A 77 12.298 -0.892 9.439 1.00 0.00 N ATOM 1175 CA LEU A 77 12.323 -0.192 10.720 1.00 0.00 C ATOM 1176 C LEU A 77 13.313 -0.845 11.680 1.00 0.00 C ATOM 1177 O LEU A 77 13.929 -0.171 12.505 1.00 0.00 O ATOM 1178 CB LEU A 77 10.923 -0.146 11.341 1.00 0.00 C ATOM 1179 CG LEU A 77 9.884 0.654 10.540 1.00 0.00 C ATOM 1180 CD1 LEU A 77 8.553 0.688 11.277 1.00 0.00 C ATOM 1181 CD2 LEU A 77 10.386 2.072 10.263 1.00 0.00 C ATOM 0 H LEU A 77 11.430 -1.395 9.253 1.00 0.00 H new ATOM 0 HA LEU A 77 12.652 0.831 10.537 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.561 -1.167 11.460 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.999 0.283 12.340 1.00 0.00 H new ATOM 0 HG LEU A 77 9.733 0.156 9.582 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.829 1.259 10.695 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.187 -0.329 11.414 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.688 1.159 12.251 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.634 2.620 9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.571 2.584 11.208 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.311 2.025 9.689 1.00 0.00 H new ATOM 1193 N ASP A 78 13.473 -2.159 11.568 1.00 0.00 N ATOM 1194 CA ASP A 78 14.471 -2.871 12.366 1.00 0.00 C ATOM 1195 C ASP A 78 15.877 -2.504 11.885 1.00 0.00 C ATOM 1196 O ASP A 78 16.857 -2.618 12.624 1.00 0.00 O ATOM 1197 CB ASP A 78 14.251 -4.388 12.283 1.00 0.00 C ATOM 1198 CG ASP A 78 15.236 -5.170 13.143 1.00 0.00 C ATOM 1199 OD1 ASP A 78 15.071 -5.185 14.383 1.00 0.00 O ATOM 1200 OD2 ASP A 78 16.181 -5.772 12.586 1.00 0.00 O ATOM 0 H ASP A 78 12.931 -2.751 10.939 1.00 0.00 H new ATOM 0 HA ASP A 78 14.365 -2.572 13.409 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.234 -4.622 12.598 1.00 0.00 H new ATOM 0 HB3 ASP A 78 14.345 -4.709 11.246 1.00 0.00 H new ATOM 1205 N GLY A 79 15.952 -2.035 10.641 1.00 0.00 N ATOM 1206 CA GLY A 79 17.221 -1.641 10.051 1.00 0.00 C ATOM 1207 C GLY A 79 17.558 -0.177 10.292 1.00 0.00 C ATOM 1208 O GLY A 79 18.517 0.345 9.719 1.00 0.00 O ATOM 0 H GLY A 79 15.147 -1.920 10.026 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.016 -2.264 10.462 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.191 -1.830 8.978 1.00 0.00 H new ATOM 1212 N LYS A 80 16.761 0.496 11.122 1.00 0.00 N ATOM 1213 CA LYS A 80 17.049 1.880 11.501 1.00 0.00 C ATOM 1214 C LYS A 80 18.201 1.891 12.507 1.00 0.00 C ATOM 1215 O LYS A 80 19.194 2.601 12.333 1.00 0.00 O ATOM 1216 CB LYS A 80 15.810 2.554 12.121 1.00 0.00 C ATOM 1217 CG LYS A 80 14.547 2.469 11.264 1.00 0.00 C ATOM 1218 CD LYS A 80 14.608 3.337 10.009 1.00 0.00 C ATOM 1219 CE LYS A 80 14.559 4.828 10.337 1.00 0.00 C ATOM 1220 NZ LYS A 80 14.317 5.654 9.122 1.00 0.00 N ATOM 0 H LYS A 80 15.916 0.109 11.543 1.00 0.00 H new ATOM 0 HA LYS A 80 17.325 2.439 10.607 1.00 0.00 H new ATOM 0 HB2 LYS A 80 15.609 2.095 13.089 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.038 3.604 12.307 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.384 1.432 10.972 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.688 2.770 11.864 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.524 3.117 9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.775 3.083 9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.770 5.014 11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.499 5.129 10.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.711 6.606 9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.776 5.208 8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.294 5.726 8.949 1.00 0.00 H new ATOM 1234 N GLU A 81 18.045 1.078 13.557 1.00 0.00 N ATOM 1235 CA GLU A 81 19.054 0.926 14.609 1.00 0.00 C ATOM 1236 C GLU A 81 19.337 2.272 15.286 1.00 0.00 C ATOM 1237 O GLU A 81 20.452 2.541 15.740 1.00 0.00 O ATOM 1238 CB GLU A 81 20.342 0.306 14.034 1.00 0.00 C ATOM 1239 CG GLU A 81 21.339 -0.156 15.097 1.00 0.00 C ATOM 1240 CD GLU A 81 22.551 -0.855 14.507 1.00 0.00 C ATOM 1241 OE1 GLU A 81 22.468 -2.073 14.243 1.00 0.00 O ATOM 1242 OE2 GLU A 81 23.592 -0.194 14.305 1.00 0.00 O ATOM 0 H GLU A 81 17.213 0.506 13.701 1.00 0.00 H new ATOM 0 HA GLU A 81 18.665 0.248 15.369 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.075 -0.545 13.407 1.00 0.00 H new ATOM 0 HB3 GLU A 81 20.828 1.037 13.388 1.00 0.00 H new ATOM 0 HG2 GLU A 81 21.670 0.706 15.677 1.00 0.00 H new ATOM 0 HG3 GLU A 81 20.837 -0.832 15.789 1.00 0.00 H new ATOM 1249 N ALA A 82 18.310 3.110 15.365 1.00 0.00 N ATOM 1250 CA ALA A 82 18.417 4.396 16.047 1.00 0.00 C ATOM 1251 C ALA A 82 18.366 4.191 17.560 1.00 0.00 C ATOM 1252 O ALA A 82 17.358 4.485 18.210 1.00 0.00 O ATOM 1253 CB ALA A 82 17.315 5.347 15.581 1.00 0.00 C ATOM 0 H ALA A 82 17.391 2.922 14.964 1.00 0.00 H new ATOM 0 HA ALA A 82 19.375 4.851 15.794 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.413 6.300 16.101 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.405 5.509 14.507 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.341 4.911 15.802 1.00 0.00 H new ATOM 1259 N ALA A 83 19.450 3.646 18.106 1.00 0.00 N ATOM 1260 CA ALA A 83 19.528 3.324 19.525 1.00 0.00 C ATOM 1261 C ALA A 83 19.856 4.573 20.345 1.00 0.00 C ATOM 1262 O ALA A 83 21.056 4.858 20.567 1.00 0.00 O ATOM 1263 CB ALA A 83 20.559 2.221 19.757 1.00 0.00 C ATOM 1264 OXT ALA A 83 18.911 5.275 20.757 1.00 0.00 O ATOM 0 H ALA A 83 20.293 3.417 17.580 1.00 0.00 H new ATOM 0 HA ALA A 83 18.557 2.957 19.857 1.00 0.00 H new ATOM 0 HB1 ALA A 83 20.609 1.988 20.821 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.268 1.328 19.203 1.00 0.00 H new ATOM 0 HB3 ALA A 83 21.537 2.559 19.413 1.00 0.00 H new TER 1270 ALA A 83