USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 778 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 50 ASN : amide:sc= -1.09 K(o=-0.5,f=-5!) USER MOD Set 1.2: A 54 SER OG : rot 16:sc= 0.501 USER MOD Set 1.3: A 88 GLN :FLIP amide:sc= 0.0912 F(o=-6!,f=-0.5) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.173 (180deg=-0.806) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0139 (180deg=-0.197) USER MOD Single : A 4 HIS : no HD1:sc= -0.597 X(o=-0.6,f=-1) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 163:sc= -0.0733 (180deg=-0.536) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 65:sc= 0.102 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.42) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc=-0.00759 (180deg=-0.0714) USER MOD Single : A 55 LYS NZ :NH3+ -138:sc= -0.397 (180deg=-1.36) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0825 F(o=-2.7!,f=-0.083) USER MOD Single : A 60 THR OG1 : rot 140:sc= 0.0416 USER MOD Single : A 62 MET CE :methyl -162:sc= -0.0982 (180deg=-0.612) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -161:sc= -0.136 (180deg=-0.714) USER MOD Single : A 70 ASN :FLIP amide:sc= -2.74 F(o=-8.7!,f=-2.7) USER MOD Single : A 79 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.63) USER MOD Single : A 83 MET CE :methyl 139:sc= -0.458 (180deg=-1.69) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -44.131 -22.764 -22.845 1.00 0.00 N ATOM 2 CA MET A 1 -43.599 -21.828 -23.869 1.00 0.00 C ATOM 3 C MET A 1 -42.733 -20.748 -23.223 1.00 0.00 C ATOM 4 O MET A 1 -43.241 -19.710 -22.798 1.00 0.00 O ATOM 5 CB MET A 1 -44.752 -21.175 -24.637 1.00 0.00 C ATOM 6 CG MET A 1 -45.683 -22.176 -25.302 1.00 0.00 C ATOM 7 SD MET A 1 -46.941 -21.383 -26.322 1.00 0.00 S ATOM 8 CE MET A 1 -45.924 -20.619 -27.583 1.00 0.00 C ATOM 0 H1 MET A 1 -44.572 -23.580 -23.316 1.00 0.00 H new ATOM 0 H2 MET A 1 -43.353 -23.093 -22.238 1.00 0.00 H new ATOM 0 H3 MET A 1 -44.841 -22.275 -22.263 1.00 0.00 H new ATOM 0 HA MET A 1 -42.982 -22.399 -24.562 1.00 0.00 H new ATOM 0 HB2 MET A 1 -45.329 -20.554 -23.951 1.00 0.00 H new ATOM 0 HB3 MET A 1 -44.341 -20.512 -25.398 1.00 0.00 H new ATOM 0 HG2 MET A 1 -45.097 -22.857 -25.919 1.00 0.00 H new ATOM 0 HG3 MET A 1 -46.169 -22.779 -24.535 1.00 0.00 H new ATOM 0 HE1 MET A 1 -46.526 -20.434 -28.473 1.00 0.00 H new ATOM 0 HE2 MET A 1 -45.529 -19.674 -27.209 1.00 0.00 H new ATOM 0 HE3 MET A 1 -45.097 -21.283 -27.835 1.00 0.00 H new ATOM 20 N PRO A 2 -41.407 -20.977 -23.137 1.00 0.00 N ATOM 21 CA PRO A 2 -40.479 -20.013 -22.536 1.00 0.00 C ATOM 22 C PRO A 2 -40.371 -18.728 -23.350 1.00 0.00 C ATOM 23 O PRO A 2 -40.199 -18.764 -24.568 1.00 0.00 O ATOM 24 CB PRO A 2 -39.140 -20.756 -22.530 1.00 0.00 C ATOM 25 CG PRO A 2 -39.266 -21.774 -23.611 1.00 0.00 C ATOM 26 CD PRO A 2 -40.710 -22.185 -23.617 1.00 0.00 C ATOM 0 HA PRO A 2 -40.808 -19.697 -21.546 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -38.309 -20.076 -22.721 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -38.952 -21.225 -21.564 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -38.973 -21.359 -24.575 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -38.617 -22.629 -23.421 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -41.043 -22.472 -24.615 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -40.888 -23.039 -22.964 1.00 0.00 H new ATOM 34 N PHE A 3 -40.474 -17.593 -22.665 1.00 0.00 N ATOM 35 CA PHE A 3 -40.388 -16.292 -23.319 1.00 0.00 C ATOM 36 C PHE A 3 -38.934 -15.861 -23.479 1.00 0.00 C ATOM 37 O PHE A 3 -38.634 -14.906 -24.196 1.00 0.00 O ATOM 38 CB PHE A 3 -41.156 -15.241 -22.516 1.00 0.00 C ATOM 39 CG PHE A 3 -42.638 -15.487 -22.466 1.00 0.00 C ATOM 40 CD1 PHE A 3 -43.176 -16.388 -21.560 1.00 0.00 C ATOM 41 CD2 PHE A 3 -43.492 -14.814 -23.324 1.00 0.00 C ATOM 42 CE1 PHE A 3 -44.538 -16.614 -21.513 1.00 0.00 C ATOM 43 CE2 PHE A 3 -44.855 -15.036 -23.282 1.00 0.00 C ATOM 44 CZ PHE A 3 -45.379 -15.937 -22.375 1.00 0.00 C ATOM 0 H PHE A 3 -40.617 -17.548 -21.656 1.00 0.00 H new ATOM 0 HA PHE A 3 -40.835 -16.381 -24.309 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -40.766 -15.216 -21.499 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -40.974 -14.258 -22.951 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -42.523 -16.919 -20.883 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -43.088 -14.108 -24.034 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -44.945 -17.319 -20.803 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -45.510 -14.506 -23.957 1.00 0.00 H new ATOM 0 HZ PHE A 3 -46.444 -16.112 -22.340 1.00 0.00 H new ATOM 54 N HIS A 4 -38.037 -16.572 -22.804 1.00 0.00 N ATOM 55 CA HIS A 4 -36.612 -16.263 -22.868 1.00 0.00 C ATOM 56 C HIS A 4 -35.905 -17.144 -23.903 1.00 0.00 C ATOM 57 O HIS A 4 -35.914 -18.370 -23.790 1.00 0.00 O ATOM 58 CB HIS A 4 -35.968 -16.451 -21.491 1.00 0.00 C ATOM 59 CG HIS A 4 -36.247 -17.787 -20.873 1.00 0.00 C ATOM 60 ND1 HIS A 4 -35.433 -18.886 -21.056 1.00 0.00 N ATOM 61 CD2 HIS A 4 -37.255 -18.198 -20.067 1.00 0.00 C ATOM 62 CE1 HIS A 4 -35.930 -19.915 -20.392 1.00 0.00 C ATOM 63 NE2 HIS A 4 -37.033 -19.523 -19.783 1.00 0.00 N ATOM 0 H HIS A 4 -38.270 -17.365 -22.207 1.00 0.00 H new ATOM 0 HA HIS A 4 -36.504 -15.222 -23.174 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -34.890 -16.321 -21.583 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -36.327 -15.669 -20.822 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -38.079 -17.596 -19.714 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -35.506 -20.907 -20.354 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -37.625 -20.110 -19.196 1.00 0.00 H new ATOM 72 N PRO A 5 -35.284 -16.531 -24.932 1.00 0.00 N ATOM 73 CA PRO A 5 -34.574 -17.275 -25.978 1.00 0.00 C ATOM 74 C PRO A 5 -33.349 -18.001 -25.429 1.00 0.00 C ATOM 75 O PRO A 5 -32.574 -17.432 -24.660 1.00 0.00 O ATOM 76 CB PRO A 5 -34.146 -16.192 -26.981 1.00 0.00 C ATOM 77 CG PRO A 5 -34.960 -14.991 -26.639 1.00 0.00 C ATOM 78 CD PRO A 5 -35.225 -15.079 -25.165 1.00 0.00 C ATOM 0 HA PRO A 5 -35.202 -18.049 -26.420 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -33.080 -15.980 -26.899 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -34.330 -16.512 -28.007 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -34.425 -14.074 -26.885 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -35.892 -14.978 -27.203 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -34.433 -14.607 -24.583 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -36.158 -14.587 -24.891 1.00 0.00 H new ATOM 86 N VAL A 6 -33.179 -19.257 -25.830 1.00 0.00 N ATOM 87 CA VAL A 6 -32.048 -20.057 -25.374 1.00 0.00 C ATOM 88 C VAL A 6 -30.767 -19.676 -26.112 1.00 0.00 C ATOM 89 O VAL A 6 -30.671 -19.819 -27.331 1.00 0.00 O ATOM 90 CB VAL A 6 -32.317 -21.567 -25.547 1.00 0.00 C ATOM 91 CG1 VAL A 6 -32.705 -21.888 -26.983 1.00 0.00 C ATOM 92 CG2 VAL A 6 -31.105 -22.382 -25.118 1.00 0.00 C ATOM 0 H VAL A 6 -33.809 -19.742 -26.469 1.00 0.00 H new ATOM 0 HA VAL A 6 -31.919 -19.846 -24.312 1.00 0.00 H new ATOM 0 HB VAL A 6 -33.154 -21.838 -24.904 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -32.889 -22.958 -27.080 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -33.609 -21.339 -27.247 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -31.895 -21.598 -27.652 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -31.316 -23.443 -25.248 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -30.246 -22.105 -25.729 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -30.884 -22.182 -24.070 1.00 0.00 H new ATOM 102 N THR A 7 -29.788 -19.183 -25.360 1.00 0.00 N ATOM 103 CA THR A 7 -28.508 -18.778 -25.929 1.00 0.00 C ATOM 104 C THR A 7 -27.532 -18.361 -24.834 1.00 0.00 C ATOM 105 O THR A 7 -27.853 -17.529 -23.987 1.00 0.00 O ATOM 106 CB THR A 7 -28.676 -17.615 -26.927 1.00 0.00 C ATOM 107 OG1 THR A 7 -27.392 -17.137 -27.347 1.00 0.00 O ATOM 108 CG2 THR A 7 -29.468 -16.474 -26.307 1.00 0.00 C ATOM 0 H THR A 7 -29.858 -19.054 -24.351 1.00 0.00 H new ATOM 0 HA THR A 7 -28.109 -19.642 -26.460 1.00 0.00 H new ATOM 0 HB THR A 7 -29.225 -17.989 -27.791 1.00 0.00 H new ATOM 0 HG1 THR A 7 -27.509 -16.400 -27.982 1.00 0.00 H new ATOM 0 HG21 THR A 7 -29.572 -15.667 -27.032 1.00 0.00 H new ATOM 0 HG22 THR A 7 -30.456 -16.832 -26.018 1.00 0.00 H new ATOM 0 HG23 THR A 7 -28.944 -16.104 -25.425 1.00 0.00 H new ATOM 116 N ALA A 8 -26.340 -18.950 -24.856 1.00 0.00 N ATOM 117 CA ALA A 8 -25.319 -18.639 -23.863 1.00 0.00 C ATOM 118 C ALA A 8 -23.925 -18.968 -24.386 1.00 0.00 C ATOM 119 O ALA A 8 -23.592 -20.133 -24.605 1.00 0.00 O ATOM 120 CB ALA A 8 -25.592 -19.400 -22.573 1.00 0.00 C ATOM 0 H ALA A 8 -26.059 -19.643 -25.549 1.00 0.00 H new ATOM 0 HA ALA A 8 -25.359 -17.569 -23.659 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -24.823 -19.160 -21.839 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -26.569 -19.115 -22.182 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -25.580 -20.471 -22.773 1.00 0.00 H new ATOM 126 N ALA A 9 -23.115 -17.934 -24.584 1.00 0.00 N ATOM 127 CA ALA A 9 -21.757 -18.108 -25.082 1.00 0.00 C ATOM 128 C ALA A 9 -20.823 -18.583 -23.974 1.00 0.00 C ATOM 129 O ALA A 9 -20.042 -19.514 -24.169 1.00 0.00 O ATOM 130 CB ALA A 9 -21.247 -16.806 -25.683 1.00 0.00 C ATOM 0 H ALA A 9 -23.377 -16.964 -24.406 1.00 0.00 H new ATOM 0 HA ALA A 9 -21.775 -18.873 -25.858 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -20.231 -16.949 -26.052 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -21.894 -16.508 -26.508 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -21.250 -16.027 -24.920 1.00 0.00 H new ATOM 136 N LEU A 10 -20.912 -17.937 -22.814 1.00 0.00 N ATOM 137 CA LEU A 10 -20.076 -18.288 -21.670 1.00 0.00 C ATOM 138 C LEU A 10 -18.595 -18.220 -22.030 1.00 0.00 C ATOM 139 O LEU A 10 -18.034 -19.169 -22.579 1.00 0.00 O ATOM 140 CB LEU A 10 -20.425 -19.691 -21.162 1.00 0.00 C ATOM 141 CG LEU A 10 -21.878 -19.884 -20.721 1.00 0.00 C ATOM 142 CD1 LEU A 10 -22.114 -21.320 -20.281 1.00 0.00 C ATOM 143 CD2 LEU A 10 -22.232 -18.918 -19.599 1.00 0.00 C ATOM 0 H LEU A 10 -21.557 -17.166 -22.642 1.00 0.00 H new ATOM 0 HA LEU A 10 -20.272 -17.564 -20.879 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -20.203 -20.411 -21.950 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -19.773 -19.928 -20.321 1.00 0.00 H new ATOM 0 HG LEU A 10 -22.525 -19.672 -21.572 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -23.152 -21.440 -19.971 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -21.903 -21.994 -21.111 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -21.456 -21.557 -19.445 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -23.269 -19.072 -19.300 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -21.578 -19.097 -18.745 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -22.103 -17.893 -19.947 1.00 0.00 H new ATOM 155 N MET A 11 -17.968 -17.089 -21.716 1.00 0.00 N ATOM 156 CA MET A 11 -16.551 -16.891 -22.004 1.00 0.00 C ATOM 157 C MET A 11 -15.710 -18.023 -21.423 1.00 0.00 C ATOM 158 O MET A 11 -15.888 -18.417 -20.271 1.00 0.00 O ATOM 159 CB MET A 11 -16.079 -15.548 -21.441 1.00 0.00 C ATOM 160 CG MET A 11 -16.339 -15.388 -19.952 1.00 0.00 C ATOM 161 SD MET A 11 -15.630 -13.872 -19.279 1.00 0.00 S ATOM 162 CE MET A 11 -16.464 -12.632 -20.266 1.00 0.00 C ATOM 0 H MET A 11 -18.420 -16.295 -21.262 1.00 0.00 H new ATOM 0 HA MET A 11 -16.424 -16.890 -23.087 1.00 0.00 H new ATOM 0 HB2 MET A 11 -15.011 -15.440 -21.629 1.00 0.00 H new ATOM 0 HB3 MET A 11 -16.580 -14.742 -21.978 1.00 0.00 H new ATOM 0 HG2 MET A 11 -17.414 -15.392 -19.773 1.00 0.00 H new ATOM 0 HG3 MET A 11 -15.924 -16.245 -19.421 1.00 0.00 H new ATOM 0 HE1 MET A 11 -16.371 -11.659 -19.783 1.00 0.00 H new ATOM 0 HE2 MET A 11 -16.011 -12.590 -21.257 1.00 0.00 H new ATOM 0 HE3 MET A 11 -17.519 -12.891 -20.360 1.00 0.00 H new ATOM 172 N TYR A 12 -14.794 -18.546 -22.235 1.00 0.00 N ATOM 173 CA TYR A 12 -13.922 -19.634 -21.809 1.00 0.00 C ATOM 174 C TYR A 12 -12.809 -19.113 -20.906 1.00 0.00 C ATOM 175 O TYR A 12 -12.353 -19.811 -20.000 1.00 0.00 O ATOM 176 CB TYR A 12 -13.321 -20.340 -23.028 1.00 0.00 C ATOM 177 CG TYR A 12 -12.500 -21.562 -22.683 1.00 0.00 C ATOM 178 CD1 TYR A 12 -11.145 -21.455 -22.392 1.00 0.00 C ATOM 179 CD2 TYR A 12 -13.079 -22.825 -22.650 1.00 0.00 C ATOM 180 CE1 TYR A 12 -10.392 -22.570 -22.076 1.00 0.00 C ATOM 181 CE2 TYR A 12 -12.332 -23.945 -22.335 1.00 0.00 C ATOM 182 CZ TYR A 12 -10.990 -23.812 -22.050 1.00 0.00 C ATOM 183 OH TYR A 12 -10.243 -24.925 -21.737 1.00 0.00 O ATOM 0 H TYR A 12 -14.638 -18.232 -23.193 1.00 0.00 H new ATOM 0 HA TYR A 12 -14.520 -20.349 -21.243 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -14.127 -20.634 -23.700 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -12.694 -19.634 -23.572 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.673 -20.484 -22.413 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -14.130 -22.933 -22.874 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.341 -22.469 -21.851 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.798 -24.919 -22.312 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.815 -25.720 -21.762 1.00 0.00 H new ATOM 193 N ARG A 13 -12.373 -17.883 -21.163 1.00 0.00 N ATOM 194 CA ARG A 13 -11.314 -17.265 -20.375 1.00 0.00 C ATOM 195 C ARG A 13 -11.240 -15.767 -20.654 1.00 0.00 C ATOM 196 O ARG A 13 -10.972 -15.349 -21.781 1.00 0.00 O ATOM 197 CB ARG A 13 -9.966 -17.918 -20.686 1.00 0.00 C ATOM 198 CG ARG A 13 -8.828 -17.417 -19.811 1.00 0.00 C ATOM 199 CD ARG A 13 -7.522 -18.117 -20.143 1.00 0.00 C ATOM 200 NE ARG A 13 -7.633 -19.569 -20.022 1.00 0.00 N ATOM 201 CZ ARG A 13 -6.654 -20.412 -20.333 1.00 0.00 C ATOM 202 NH1 ARG A 13 -5.492 -19.952 -20.777 1.00 0.00 N ATOM 203 NH2 ARG A 13 -6.836 -21.719 -20.200 1.00 0.00 N ATOM 0 H ARG A 13 -12.738 -17.295 -21.912 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.545 -17.414 -19.320 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.058 -18.997 -20.564 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.716 -17.736 -21.731 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.710 -16.342 -19.946 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.074 -17.582 -18.762 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.221 -17.860 -21.158 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.738 -17.757 -19.477 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.512 -19.957 -19.679 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.347 -18.948 -20.881 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.743 -20.603 -21.015 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.728 -22.078 -19.859 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.084 -22.366 -20.439 1.00 0.00 H new ATOM 217 N GLY A 14 -11.480 -14.965 -19.621 1.00 0.00 N ATOM 218 CA GLY A 14 -11.437 -13.524 -19.778 1.00 0.00 C ATOM 219 C GLY A 14 -11.027 -12.811 -18.506 1.00 0.00 C ATOM 220 O GLY A 14 -11.572 -11.757 -18.175 1.00 0.00 O ATOM 0 H GLY A 14 -11.703 -15.288 -18.679 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.737 -13.270 -20.574 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.418 -13.167 -20.090 1.00 0.00 H new ATOM 224 N ILE A 15 -10.064 -13.384 -17.791 1.00 0.00 N ATOM 225 CA ILE A 15 -9.581 -12.796 -16.550 1.00 0.00 C ATOM 226 C ILE A 15 -8.103 -12.433 -16.655 1.00 0.00 C ATOM 227 O ILE A 15 -7.298 -13.204 -17.179 1.00 0.00 O ATOM 228 CB ILE A 15 -9.795 -13.749 -15.356 1.00 0.00 C ATOM 229 CG1 ILE A 15 -9.313 -13.100 -14.054 1.00 0.00 C ATOM 230 CG2 ILE A 15 -9.078 -15.070 -15.593 1.00 0.00 C ATOM 231 CD1 ILE A 15 -10.079 -11.849 -13.679 1.00 0.00 C ATOM 0 H ILE A 15 -9.603 -14.256 -18.052 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.159 -11.888 -16.379 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.863 -13.949 -15.263 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.398 -13.824 -13.244 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.256 -12.853 -14.151 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.240 -15.730 -14.741 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.470 -15.540 -16.495 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.010 -14.888 -15.713 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.683 -11.445 -12.747 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.973 -11.107 -14.470 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.133 -12.093 -13.549 1.00 0.00 H new ATOM 243 N TYR A 16 -7.755 -11.251 -16.155 1.00 0.00 N ATOM 244 CA TYR A 16 -6.377 -10.773 -16.193 1.00 0.00 C ATOM 245 C TYR A 16 -5.445 -11.714 -15.435 1.00 0.00 C ATOM 246 O TYR A 16 -5.562 -11.873 -14.220 1.00 0.00 O ATOM 247 CB TYR A 16 -6.284 -9.367 -15.600 1.00 0.00 C ATOM 248 CG TYR A 16 -7.043 -8.322 -16.386 1.00 0.00 C ATOM 249 CD1 TYR A 16 -8.412 -8.156 -16.220 1.00 0.00 C ATOM 250 CD2 TYR A 16 -6.388 -7.498 -17.293 1.00 0.00 C ATOM 251 CE1 TYR A 16 -9.107 -7.201 -16.936 1.00 0.00 C ATOM 252 CE2 TYR A 16 -7.077 -6.540 -18.013 1.00 0.00 C ATOM 253 CZ TYR A 16 -8.435 -6.395 -17.831 1.00 0.00 C ATOM 254 OH TYR A 16 -9.124 -5.441 -18.546 1.00 0.00 O ATOM 0 H TYR A 16 -8.411 -10.604 -15.717 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.064 -10.745 -17.237 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.665 -9.388 -14.579 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.235 -9.075 -15.544 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.942 -8.784 -15.519 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.323 -7.608 -17.438 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.172 -7.086 -16.796 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.553 -5.908 -18.715 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.503 -4.959 -19.131 1.00 0.00 H new ATOM 264 N THR A 17 -4.519 -12.332 -16.163 1.00 0.00 N ATOM 265 CA THR A 17 -3.560 -13.252 -15.564 1.00 0.00 C ATOM 266 C THR A 17 -2.132 -12.833 -15.892 1.00 0.00 C ATOM 267 O THR A 17 -1.626 -13.123 -16.975 1.00 0.00 O ATOM 268 CB THR A 17 -3.783 -14.697 -16.052 1.00 0.00 C ATOM 269 OG1 THR A 17 -5.134 -15.100 -15.793 1.00 0.00 O ATOM 270 CG2 THR A 17 -2.823 -15.655 -15.362 1.00 0.00 C ATOM 0 H THR A 17 -4.413 -12.211 -17.170 1.00 0.00 H new ATOM 0 HA THR A 17 -3.714 -13.216 -14.486 1.00 0.00 H new ATOM 0 HB THR A 17 -3.595 -14.727 -17.125 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.747 -14.554 -16.328 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.999 -16.669 -15.722 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.796 -15.364 -15.584 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.985 -15.619 -14.285 1.00 0.00 H new ATOM 278 N VAL A 18 -1.488 -12.147 -14.952 1.00 0.00 N ATOM 279 CA VAL A 18 -0.119 -11.687 -15.145 1.00 0.00 C ATOM 280 C VAL A 18 0.887 -12.808 -14.871 1.00 0.00 C ATOM 281 O VAL A 18 1.052 -13.237 -13.729 1.00 0.00 O ATOM 282 CB VAL A 18 0.200 -10.477 -14.240 1.00 0.00 C ATOM 283 CG1 VAL A 18 -0.526 -9.238 -14.739 1.00 0.00 C ATOM 284 CG2 VAL A 18 -0.173 -10.768 -12.792 1.00 0.00 C ATOM 0 H VAL A 18 -1.893 -11.898 -14.050 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.031 -11.380 -16.187 1.00 0.00 H new ATOM 0 HB VAL A 18 1.273 -10.293 -14.282 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.292 -8.393 -14.091 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.207 -9.014 -15.757 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.601 -9.417 -14.727 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.061 -9.901 -12.175 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.240 -10.982 -12.727 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.392 -11.630 -12.437 1.00 0.00 H new ATOM 294 N PRO A 19 1.570 -13.312 -15.921 1.00 0.00 N ATOM 295 CA PRO A 19 2.552 -14.385 -15.775 1.00 0.00 C ATOM 296 C PRO A 19 3.920 -13.879 -15.329 1.00 0.00 C ATOM 297 O PRO A 19 4.492 -14.382 -14.363 1.00 0.00 O ATOM 298 CB PRO A 19 2.634 -14.969 -17.182 1.00 0.00 C ATOM 299 CG PRO A 19 2.345 -13.820 -18.088 1.00 0.00 C ATOM 300 CD PRO A 19 1.436 -12.884 -17.329 1.00 0.00 C ATOM 0 HA PRO A 19 2.259 -15.102 -15.008 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.620 -15.390 -17.379 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.911 -15.773 -17.320 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.266 -13.314 -18.377 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.868 -14.162 -19.006 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.736 -11.844 -17.460 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.405 -12.964 -17.673 1.00 0.00 H new ATOM 308 N ASN A 20 4.439 -12.882 -16.039 1.00 0.00 N ATOM 309 CA ASN A 20 5.745 -12.320 -15.717 1.00 0.00 C ATOM 310 C ASN A 20 5.761 -10.810 -15.938 1.00 0.00 C ATOM 311 O ASN A 20 6.220 -10.328 -16.975 1.00 0.00 O ATOM 312 CB ASN A 20 6.825 -12.985 -16.573 1.00 0.00 C ATOM 313 CG ASN A 20 8.096 -13.254 -15.793 1.00 0.00 C ATOM 314 OD1 ASN A 20 8.987 -12.408 -15.723 1.00 0.00 O ATOM 315 ND2 ASN A 20 8.184 -14.441 -15.204 1.00 0.00 N ATOM 0 H ASN A 20 3.977 -12.448 -16.838 1.00 0.00 H new ATOM 0 HA ASN A 20 5.949 -12.513 -14.664 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.441 -13.924 -16.972 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.054 -12.346 -17.426 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.016 -14.683 -14.666 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.420 -15.111 -15.290 1.00 0.00 H new ATOM 322 N LEU A 21 5.258 -10.068 -14.956 1.00 0.00 N ATOM 323 CA LEU A 21 5.215 -8.613 -15.042 1.00 0.00 C ATOM 324 C LEU A 21 6.053 -7.971 -13.941 1.00 0.00 C ATOM 325 O LEU A 21 5.737 -6.882 -13.461 1.00 0.00 O ATOM 326 CB LEU A 21 3.776 -8.120 -14.965 1.00 0.00 C ATOM 327 CG LEU A 21 3.049 -8.083 -16.306 1.00 0.00 C ATOM 328 CD1 LEU A 21 2.575 -9.470 -16.705 1.00 0.00 C ATOM 329 CD2 LEU A 21 1.892 -7.105 -16.249 1.00 0.00 C ATOM 0 H LEU A 21 4.875 -10.451 -14.092 1.00 0.00 H new ATOM 0 HA LEU A 21 5.638 -8.320 -16.003 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.221 -8.763 -14.282 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.771 -7.118 -14.535 1.00 0.00 H new ATOM 0 HG LEU A 21 3.748 -7.742 -17.069 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.060 -9.417 -17.664 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.433 -10.137 -16.790 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.892 -9.853 -15.947 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.382 -7.088 -17.212 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.192 -7.414 -15.473 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.269 -6.108 -16.021 1.00 0.00 H new ATOM 341 N LEU A 22 7.124 -8.652 -13.548 1.00 0.00 N ATOM 342 CA LEU A 22 8.013 -8.145 -12.508 1.00 0.00 C ATOM 343 C LEU A 22 9.337 -7.688 -13.110 1.00 0.00 C ATOM 344 O LEU A 22 10.270 -7.333 -12.389 1.00 0.00 O ATOM 345 CB LEU A 22 8.264 -9.214 -11.439 1.00 0.00 C ATOM 346 CG LEU A 22 8.981 -10.476 -11.927 1.00 0.00 C ATOM 347 CD1 LEU A 22 9.698 -11.160 -10.773 1.00 0.00 C ATOM 348 CD2 LEU A 22 7.994 -11.434 -12.578 1.00 0.00 C ATOM 0 H LEU A 22 7.398 -9.556 -13.933 1.00 0.00 H new ATOM 0 HA LEU A 22 7.528 -7.290 -12.037 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.853 -8.770 -10.636 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.306 -9.505 -11.008 1.00 0.00 H new ATOM 0 HG LEU A 22 9.721 -10.184 -12.672 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.202 -12.055 -11.137 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.433 -10.478 -10.346 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.973 -11.438 -10.008 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.522 -12.325 -12.918 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.232 -11.719 -11.853 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.520 -10.945 -13.430 1.00 0.00 H new ATOM 360 N SER A 23 9.410 -7.701 -14.437 1.00 0.00 N ATOM 361 CA SER A 23 10.615 -7.285 -15.144 1.00 0.00 C ATOM 362 C SER A 23 10.400 -5.944 -15.837 1.00 0.00 C ATOM 363 O SER A 23 11.317 -5.127 -15.931 1.00 0.00 O ATOM 364 CB SER A 23 11.021 -8.346 -16.170 1.00 0.00 C ATOM 365 OG SER A 23 9.996 -8.550 -17.126 1.00 0.00 O ATOM 0 H SER A 23 8.646 -7.996 -15.045 1.00 0.00 H new ATOM 0 HA SER A 23 11.417 -7.172 -14.414 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.937 -8.037 -16.674 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.239 -9.284 -15.660 1.00 0.00 H new ATOM 0 HG SER A 23 10.281 -9.231 -17.771 1.00 0.00 H new ATOM 371 N GLU A 24 9.180 -5.723 -16.323 1.00 0.00 N ATOM 372 CA GLU A 24 8.840 -4.479 -17.006 1.00 0.00 C ATOM 373 C GLU A 24 8.507 -3.379 -16.002 1.00 0.00 C ATOM 374 O GLU A 24 8.614 -2.193 -16.310 1.00 0.00 O ATOM 375 CB GLU A 24 7.658 -4.698 -17.953 1.00 0.00 C ATOM 376 CG GLU A 24 7.962 -5.652 -19.096 1.00 0.00 C ATOM 377 CD GLU A 24 9.059 -5.139 -20.010 1.00 0.00 C ATOM 378 OE1 GLU A 24 8.737 -4.421 -20.980 1.00 0.00 O ATOM 379 OE2 GLU A 24 10.240 -5.455 -19.754 1.00 0.00 O ATOM 0 H GLU A 24 8.411 -6.390 -16.256 1.00 0.00 H new ATOM 0 HA GLU A 24 9.707 -4.164 -17.587 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.813 -5.085 -17.383 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.351 -3.737 -18.365 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.257 -6.619 -18.688 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.055 -5.815 -19.679 1.00 0.00 H new ATOM 386 N GLN A 25 8.101 -3.784 -14.803 1.00 0.00 N ATOM 387 CA GLN A 25 7.752 -2.835 -13.752 1.00 0.00 C ATOM 388 C GLN A 25 8.917 -2.625 -12.791 1.00 0.00 C ATOM 389 O GLN A 25 9.873 -3.400 -12.777 1.00 0.00 O ATOM 390 CB GLN A 25 6.520 -3.320 -12.986 1.00 0.00 C ATOM 391 CG GLN A 25 5.208 -2.893 -13.622 1.00 0.00 C ATOM 392 CD GLN A 25 5.058 -3.393 -15.046 1.00 0.00 C ATOM 393 OE1 GLN A 25 5.463 -2.724 -15.997 1.00 0.00 O ATOM 394 NE2 GLN A 25 4.471 -4.574 -15.201 1.00 0.00 N ATOM 0 H GLN A 25 8.006 -4.764 -14.535 1.00 0.00 H new ATOM 0 HA GLN A 25 7.524 -1.879 -14.224 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.547 -4.408 -12.921 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.562 -2.938 -11.966 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.379 -3.267 -13.021 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.142 -1.805 -13.614 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.150 -5.095 -14.385 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.341 -4.960 -16.136 1.00 0.00 H new ATOM 403 N ARG A 26 8.829 -1.565 -11.991 1.00 0.00 N ATOM 404 CA ARG A 26 9.873 -1.241 -11.026 1.00 0.00 C ATOM 405 C ARG A 26 9.696 -2.041 -9.734 1.00 0.00 C ATOM 406 O ARG A 26 8.572 -2.370 -9.353 1.00 0.00 O ATOM 407 CB ARG A 26 9.854 0.257 -10.720 1.00 0.00 C ATOM 408 CG ARG A 26 10.142 1.129 -11.931 1.00 0.00 C ATOM 409 CD ARG A 26 10.318 2.587 -11.537 1.00 0.00 C ATOM 410 NE ARG A 26 11.463 2.776 -10.652 1.00 0.00 N ATOM 411 CZ ARG A 26 11.877 3.964 -10.220 1.00 0.00 C ATOM 412 NH1 ARG A 26 11.241 5.068 -10.589 1.00 0.00 N ATOM 413 NH2 ARG A 26 12.928 4.046 -9.416 1.00 0.00 N ATOM 0 H ARG A 26 8.043 -0.915 -11.993 1.00 0.00 H new ATOM 0 HA ARG A 26 10.835 -1.508 -11.462 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.878 0.524 -10.314 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.591 0.471 -9.945 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.044 0.774 -12.430 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.325 1.040 -12.647 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.448 3.192 -12.434 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.414 2.941 -11.042 1.00 0.00 H new ATOM 0 HE ARG A 26 11.976 1.949 -10.347 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.431 5.008 -11.206 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.562 5.977 -10.255 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.418 3.199 -9.129 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.246 4.956 -9.084 1.00 0.00 H new ATOM 427 N PRO A 27 10.806 -2.361 -9.042 1.00 0.00 N ATOM 428 CA PRO A 27 10.767 -3.127 -7.797 1.00 0.00 C ATOM 429 C PRO A 27 10.488 -2.257 -6.576 1.00 0.00 C ATOM 430 O PRO A 27 10.768 -2.655 -5.444 1.00 0.00 O ATOM 431 CB PRO A 27 12.173 -3.715 -7.723 1.00 0.00 C ATOM 432 CG PRO A 27 13.041 -2.697 -8.382 1.00 0.00 C ATOM 433 CD PRO A 27 12.190 -2.007 -9.421 1.00 0.00 C ATOM 0 HA PRO A 27 9.967 -3.868 -7.795 1.00 0.00 H new ATOM 0 HB2 PRO A 27 12.477 -3.887 -6.690 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.229 -4.675 -8.236 1.00 0.00 H new ATOM 0 HG2 PRO A 27 13.418 -1.980 -7.653 1.00 0.00 H new ATOM 0 HG3 PRO A 27 13.908 -3.169 -8.844 1.00 0.00 H new ATOM 0 HD2 PRO A 27 12.343 -0.928 -9.410 1.00 0.00 H new ATOM 0 HD3 PRO A 27 12.429 -2.353 -10.427 1.00 0.00 H new ATOM 441 N VAL A 28 9.936 -1.070 -6.806 1.00 0.00 N ATOM 442 CA VAL A 28 9.623 -0.152 -5.717 1.00 0.00 C ATOM 443 C VAL A 28 8.322 -0.537 -5.027 1.00 0.00 C ATOM 444 O VAL A 28 7.481 -1.225 -5.608 1.00 0.00 O ATOM 445 CB VAL A 28 9.511 1.299 -6.209 1.00 0.00 C ATOM 446 CG1 VAL A 28 10.869 1.820 -6.653 1.00 0.00 C ATOM 447 CG2 VAL A 28 8.493 1.406 -7.336 1.00 0.00 C ATOM 0 H VAL A 28 9.697 -0.722 -7.734 1.00 0.00 H new ATOM 0 HA VAL A 28 10.447 -0.224 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 28 9.165 1.918 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.769 2.849 -6.998 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.564 1.784 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.249 1.200 -7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.428 2.441 -7.671 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.804 0.774 -8.168 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.517 1.079 -6.977 1.00 0.00 H new ATOM 457 N ASP A 29 8.158 -0.077 -3.788 1.00 0.00 N ATOM 458 CA ASP A 29 6.961 -0.372 -3.009 1.00 0.00 C ATOM 459 C ASP A 29 7.024 0.293 -1.636 1.00 0.00 C ATOM 460 O ASP A 29 8.103 0.623 -1.144 1.00 0.00 O ATOM 461 CB ASP A 29 6.804 -1.884 -2.847 1.00 0.00 C ATOM 462 CG ASP A 29 5.504 -2.265 -2.166 1.00 0.00 C ATOM 463 OD1 ASP A 29 4.498 -2.466 -2.879 1.00 0.00 O ATOM 464 OD2 ASP A 29 5.494 -2.366 -0.922 1.00 0.00 O ATOM 0 H ASP A 29 8.842 0.503 -3.302 1.00 0.00 H new ATOM 0 HA ASP A 29 6.099 0.027 -3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.849 -2.357 -3.828 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.641 -2.273 -2.267 1.00 0.00 H new ATOM 469 N ILE A 30 5.857 0.486 -1.027 1.00 0.00 N ATOM 470 CA ILE A 30 5.767 1.106 0.289 1.00 0.00 C ATOM 471 C ILE A 30 6.287 0.163 1.375 1.00 0.00 C ATOM 472 O ILE A 30 5.905 -1.006 1.415 1.00 0.00 O ATOM 473 CB ILE A 30 4.307 1.487 0.612 1.00 0.00 C ATOM 474 CG1 ILE A 30 3.710 2.333 -0.519 1.00 0.00 C ATOM 475 CG2 ILE A 30 4.226 2.228 1.937 1.00 0.00 C ATOM 476 CD1 ILE A 30 4.440 3.638 -0.763 1.00 0.00 C ATOM 0 H ILE A 30 4.957 0.220 -1.427 1.00 0.00 H new ATOM 0 HA ILE A 30 6.383 2.005 0.270 1.00 0.00 H new ATOM 0 HB ILE A 30 3.724 0.570 0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.716 1.748 -1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.668 2.550 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.188 2.487 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.608 1.591 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.823 3.138 1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.957 4.178 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.412 4.245 0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.477 3.431 -1.029 1.00 0.00 H new ATOM 488 N PRO A 31 7.169 0.651 2.273 1.00 0.00 N ATOM 489 CA PRO A 31 7.723 -0.175 3.351 1.00 0.00 C ATOM 490 C PRO A 31 6.661 -0.578 4.368 1.00 0.00 C ATOM 491 O PRO A 31 5.689 0.148 4.572 1.00 0.00 O ATOM 492 CB PRO A 31 8.774 0.730 4.002 1.00 0.00 C ATOM 493 CG PRO A 31 8.336 2.114 3.674 1.00 0.00 C ATOM 494 CD PRO A 31 7.689 2.032 2.319 1.00 0.00 C ATOM 0 HA PRO A 31 8.132 -1.113 2.975 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.818 0.574 5.080 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.770 0.526 3.609 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.635 2.489 4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.184 2.799 3.661 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.891 2.766 2.209 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.406 2.219 1.519 1.00 0.00 H new ATOM 502 N GLU A 32 6.848 -1.739 4.990 1.00 0.00 N ATOM 503 CA GLU A 32 5.900 -2.254 5.978 1.00 0.00 C ATOM 504 C GLU A 32 5.336 -1.144 6.863 1.00 0.00 C ATOM 505 O GLU A 32 4.132 -1.091 7.106 1.00 0.00 O ATOM 506 CB GLU A 32 6.567 -3.316 6.853 1.00 0.00 C ATOM 507 CG GLU A 32 5.626 -3.936 7.875 1.00 0.00 C ATOM 508 CD GLU A 32 4.534 -4.771 7.232 1.00 0.00 C ATOM 509 OE1 GLU A 32 4.783 -5.964 6.957 1.00 0.00 O ATOM 510 OE2 GLU A 32 3.431 -4.233 7.007 1.00 0.00 O ATOM 0 H GLU A 32 7.652 -2.345 4.827 1.00 0.00 H new ATOM 0 HA GLU A 32 5.072 -2.699 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.967 -4.103 6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.413 -2.868 7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.200 -4.560 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.170 -3.145 8.471 1.00 0.00 H new ATOM 517 N ASP A 33 6.212 -0.262 7.342 1.00 0.00 N ATOM 518 CA ASP A 33 5.805 0.843 8.210 1.00 0.00 C ATOM 519 C ASP A 33 4.557 1.557 7.688 1.00 0.00 C ATOM 520 O ASP A 33 3.483 1.450 8.279 1.00 0.00 O ATOM 521 CB ASP A 33 6.953 1.842 8.354 1.00 0.00 C ATOM 522 CG ASP A 33 8.180 1.226 8.997 1.00 0.00 C ATOM 523 OD1 ASP A 33 8.209 1.121 10.241 1.00 0.00 O ATOM 524 OD2 ASP A 33 9.113 0.849 8.256 1.00 0.00 O ATOM 0 H ASP A 33 7.212 -0.291 7.143 1.00 0.00 H new ATOM 0 HA ASP A 33 5.558 0.420 9.184 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.218 2.230 7.371 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.620 2.690 8.952 1.00 0.00 H new ATOM 529 N GLU A 34 4.701 2.286 6.584 1.00 0.00 N ATOM 530 CA GLU A 34 3.573 3.015 6.004 1.00 0.00 C ATOM 531 C GLU A 34 2.547 2.057 5.413 1.00 0.00 C ATOM 532 O GLU A 34 1.371 2.397 5.279 1.00 0.00 O ATOM 533 CB GLU A 34 4.037 3.992 4.916 1.00 0.00 C ATOM 534 CG GLU A 34 5.503 3.866 4.547 1.00 0.00 C ATOM 535 CD GLU A 34 6.404 4.698 5.438 1.00 0.00 C ATOM 536 OE1 GLU A 34 6.799 4.203 6.513 1.00 0.00 O ATOM 537 OE2 GLU A 34 6.716 5.846 5.058 1.00 0.00 O ATOM 0 H GLU A 34 5.579 2.388 6.076 1.00 0.00 H new ATOM 0 HA GLU A 34 3.111 3.581 6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.434 3.834 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.846 5.011 5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.801 2.820 4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.640 4.173 3.510 1.00 0.00 H new ATOM 544 N LEU A 35 2.996 0.858 5.063 1.00 0.00 N ATOM 545 CA LEU A 35 2.116 -0.140 4.474 1.00 0.00 C ATOM 546 C LEU A 35 1.079 -0.627 5.483 1.00 0.00 C ATOM 547 O LEU A 35 -0.055 -0.936 5.118 1.00 0.00 O ATOM 548 CB LEU A 35 2.929 -1.321 3.936 1.00 0.00 C ATOM 549 CG LEU A 35 2.116 -2.378 3.182 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.931 -2.962 2.039 1.00 0.00 C ATOM 551 CD2 LEU A 35 1.665 -3.481 4.127 1.00 0.00 C ATOM 0 H LEU A 35 3.963 0.555 5.177 1.00 0.00 H new ATOM 0 HA LEU A 35 1.586 0.329 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.702 -0.937 3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.437 -1.803 4.771 1.00 0.00 H new ATOM 0 HG LEU A 35 1.231 -1.896 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.338 -3.711 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.207 -2.167 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.833 -3.427 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.089 -4.222 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.538 -3.958 4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.044 -3.054 4.915 1.00 0.00 H new ATOM 563 N GLU A 36 1.473 -0.694 6.752 1.00 0.00 N ATOM 564 CA GLU A 36 0.573 -1.145 7.808 1.00 0.00 C ATOM 565 C GLU A 36 -0.628 -0.212 7.927 1.00 0.00 C ATOM 566 O GLU A 36 -1.698 -0.615 8.387 1.00 0.00 O ATOM 567 CB GLU A 36 1.314 -1.222 9.146 1.00 0.00 C ATOM 568 CG GLU A 36 0.477 -1.807 10.274 1.00 0.00 C ATOM 569 CD GLU A 36 1.239 -1.888 11.583 1.00 0.00 C ATOM 570 OE1 GLU A 36 1.885 -2.927 11.831 1.00 0.00 O ATOM 571 OE2 GLU A 36 1.188 -0.911 12.360 1.00 0.00 O ATOM 0 H GLU A 36 2.408 -0.442 7.073 1.00 0.00 H new ATOM 0 HA GLU A 36 0.214 -2.141 7.547 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.212 -1.827 9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.641 -0.221 9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.415 -1.196 10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.140 -2.804 9.992 1.00 0.00 H new ATOM 578 N GLU A 37 -0.444 1.036 7.507 1.00 0.00 N ATOM 579 CA GLU A 37 -1.513 2.028 7.560 1.00 0.00 C ATOM 580 C GLU A 37 -2.547 1.769 6.469 1.00 0.00 C ATOM 581 O GLU A 37 -3.718 2.119 6.614 1.00 0.00 O ATOM 582 CB GLU A 37 -0.938 3.438 7.412 1.00 0.00 C ATOM 583 CG GLU A 37 0.071 3.800 8.489 1.00 0.00 C ATOM 584 CD GLU A 37 0.564 5.229 8.370 1.00 0.00 C ATOM 585 OE1 GLU A 37 1.565 5.454 7.656 1.00 0.00 O ATOM 586 OE2 GLU A 37 -0.051 6.123 8.989 1.00 0.00 O ATOM 0 H GLU A 37 0.436 1.385 7.126 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.005 1.946 8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.462 3.526 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.755 4.159 7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.383 3.657 9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.921 3.120 8.429 1.00 0.00 H new ATOM 593 N ILE A 38 -2.104 1.153 5.376 1.00 0.00 N ATOM 594 CA ILE A 38 -2.987 0.841 4.259 1.00 0.00 C ATOM 595 C ILE A 38 -4.034 -0.189 4.669 1.00 0.00 C ATOM 596 O ILE A 38 -5.237 0.016 4.481 1.00 0.00 O ATOM 597 CB ILE A 38 -2.198 0.293 3.051 1.00 0.00 C ATOM 598 CG1 ILE A 38 -0.988 1.185 2.761 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.101 0.195 1.830 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.114 0.677 1.634 1.00 0.00 C ATOM 0 H ILE A 38 -1.136 0.860 5.241 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.477 1.771 3.971 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.838 -0.708 3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.338 2.188 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.386 1.271 3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.531 -0.193 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.932 -0.476 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.487 1.184 1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.723 1.360 1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.266 -0.313 1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.700 0.618 0.717 1.00 0.00 H new ATOM 612 N ARG A 39 -3.564 -1.295 5.234 1.00 0.00 N ATOM 613 CA ARG A 39 -4.442 -2.370 5.673 1.00 0.00 C ATOM 614 C ARG A 39 -5.356 -1.912 6.802 1.00 0.00 C ATOM 615 O ARG A 39 -6.559 -1.789 6.617 1.00 0.00 O ATOM 616 CB ARG A 39 -3.615 -3.571 6.130 1.00 0.00 C ATOM 617 CG ARG A 39 -2.794 -4.195 5.016 1.00 0.00 C ATOM 618 CD ARG A 39 -1.392 -4.544 5.485 1.00 0.00 C ATOM 619 NE ARG A 39 -1.404 -5.510 6.580 1.00 0.00 N ATOM 620 CZ ARG A 39 -0.360 -6.263 6.913 1.00 0.00 C ATOM 621 NH1 ARG A 39 0.771 -6.176 6.227 1.00 0.00 N ATOM 622 NH2 ARG A 39 -0.450 -7.109 7.930 1.00 0.00 N ATOM 0 H ARG A 39 -2.573 -1.470 5.399 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.065 -2.660 4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.947 -3.259 6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.283 -4.326 6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.293 -5.095 4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.736 -3.504 4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.821 -4.950 4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.882 -3.637 5.808 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.263 -5.613 7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.842 -5.530 5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.570 -6.755 6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.320 -7.182 8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.351 -7.687 8.185 1.00 0.00 H new ATOM 636 N GLU A 40 -4.767 -1.628 7.960 1.00 0.00 N ATOM 637 CA GLU A 40 -5.527 -1.201 9.137 1.00 0.00 C ATOM 638 C GLU A 40 -6.684 -0.270 8.767 1.00 0.00 C ATOM 639 O GLU A 40 -7.731 -0.285 9.412 1.00 0.00 O ATOM 640 CB GLU A 40 -4.593 -0.497 10.126 1.00 0.00 C ATOM 641 CG GLU A 40 -5.224 -0.233 11.483 1.00 0.00 C ATOM 642 CD GLU A 40 -5.325 -1.486 12.331 1.00 0.00 C ATOM 643 OE1 GLU A 40 -6.341 -2.202 12.216 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.385 -1.753 13.110 1.00 0.00 O ATOM 0 H GLU A 40 -3.760 -1.686 8.112 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.955 -2.092 9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.699 -1.105 10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.270 0.451 9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.635 0.515 12.014 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.220 0.187 11.341 1.00 0.00 H new ATOM 651 N ALA A 41 -6.500 0.519 7.714 1.00 0.00 N ATOM 652 CA ALA A 41 -7.521 1.465 7.275 1.00 0.00 C ATOM 653 C ALA A 41 -8.773 0.778 6.713 1.00 0.00 C ATOM 654 O ALA A 41 -9.763 0.574 7.424 1.00 0.00 O ATOM 655 CB ALA A 41 -6.939 2.415 6.240 1.00 0.00 C ATOM 0 H ALA A 41 -5.652 0.523 7.147 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.836 2.022 8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.708 3.117 5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.106 2.965 6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.586 1.845 5.381 1.00 0.00 H new ATOM 661 N PHE A 42 -8.723 0.410 5.437 1.00 0.00 N ATOM 662 CA PHE A 42 -9.871 -0.202 4.776 1.00 0.00 C ATOM 663 C PHE A 42 -10.088 -1.656 5.186 1.00 0.00 C ATOM 664 O PHE A 42 -11.182 -2.193 5.017 1.00 0.00 O ATOM 665 CB PHE A 42 -9.722 -0.087 3.260 1.00 0.00 C ATOM 666 CG PHE A 42 -10.184 1.239 2.723 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.416 2.380 2.896 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.393 1.345 2.054 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.847 3.602 2.410 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.827 2.562 1.565 1.00 0.00 C ATOM 671 CZ PHE A 42 -11.054 3.692 1.743 1.00 0.00 C ATOM 0 H PHE A 42 -7.903 0.524 4.841 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.757 0.345 5.099 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.677 -0.237 2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.292 -0.884 2.783 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.471 2.315 3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.003 0.465 1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.241 4.484 2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.770 2.629 1.044 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.392 4.644 1.362 1.00 0.00 H new ATOM 681 N LYS A 43 -9.057 -2.291 5.727 1.00 0.00 N ATOM 682 CA LYS A 43 -9.170 -3.683 6.147 1.00 0.00 C ATOM 683 C LYS A 43 -10.119 -3.822 7.334 1.00 0.00 C ATOM 684 O LYS A 43 -10.886 -4.783 7.407 1.00 0.00 O ATOM 685 CB LYS A 43 -7.797 -4.264 6.498 1.00 0.00 C ATOM 686 CG LYS A 43 -7.644 -5.735 6.142 1.00 0.00 C ATOM 687 CD LYS A 43 -7.815 -5.978 4.646 1.00 0.00 C ATOM 688 CE LYS A 43 -6.843 -5.146 3.822 1.00 0.00 C ATOM 689 NZ LYS A 43 -6.973 -5.420 2.366 1.00 0.00 N ATOM 0 H LYS A 43 -8.141 -1.870 5.885 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.580 -4.247 5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.027 -3.692 5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.622 -4.138 7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.661 -6.084 6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.381 -6.320 6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.662 -7.035 4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.837 -5.738 4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.022 -4.087 4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.823 -5.358 4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.394 -4.741 1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.647 -6.387 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.969 -5.324 2.082 1.00 0.00 H new ATOM 703 N VAL A 44 -10.075 -2.867 8.268 1.00 0.00 N ATOM 704 CA VAL A 44 -10.958 -2.924 9.428 1.00 0.00 C ATOM 705 C VAL A 44 -12.404 -2.659 9.028 1.00 0.00 C ATOM 706 O VAL A 44 -13.325 -3.235 9.608 1.00 0.00 O ATOM 707 CB VAL A 44 -10.549 -1.939 10.540 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.156 -2.263 11.052 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.632 -0.502 10.054 1.00 0.00 C ATOM 0 H VAL A 44 -9.449 -2.062 8.243 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.865 -3.934 9.826 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.250 -2.049 11.367 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.884 -1.557 11.837 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.143 -3.276 11.454 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.441 -2.188 10.233 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.338 0.172 10.859 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.963 -0.366 9.204 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.655 -0.279 9.750 1.00 0.00 H new ATOM 719 N PHE A 45 -12.608 -1.785 8.039 1.00 0.00 N ATOM 720 CA PHE A 45 -13.965 -1.486 7.580 1.00 0.00 C ATOM 721 C PHE A 45 -14.628 -2.753 7.052 1.00 0.00 C ATOM 722 O PHE A 45 -15.850 -2.821 6.926 1.00 0.00 O ATOM 723 CB PHE A 45 -13.964 -0.393 6.504 1.00 0.00 C ATOM 724 CG PHE A 45 -13.559 0.960 7.024 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.209 1.522 8.114 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.532 1.670 6.426 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.841 2.764 8.593 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.161 2.914 6.900 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.816 3.462 7.985 1.00 0.00 C ATOM 0 H PHE A 45 -11.868 -1.282 7.550 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.536 -1.112 8.430 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.285 -0.684 5.702 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.960 -0.323 6.068 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.012 0.982 8.593 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.014 1.246 5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.355 3.189 9.443 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.359 3.457 6.422 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.528 4.434 8.357 1.00 0.00 H new ATOM 739 N ASP A 46 -13.807 -3.754 6.748 1.00 0.00 N ATOM 740 CA ASP A 46 -14.305 -5.032 6.256 1.00 0.00 C ATOM 741 C ASP A 46 -14.842 -5.856 7.423 1.00 0.00 C ATOM 742 O ASP A 46 -14.107 -6.619 8.052 1.00 0.00 O ATOM 743 CB ASP A 46 -13.193 -5.792 5.532 1.00 0.00 C ATOM 744 CG ASP A 46 -13.704 -7.024 4.815 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.705 -6.910 4.078 1.00 0.00 O ATOM 746 OD2 ASP A 46 -13.100 -8.103 4.987 1.00 0.00 O ATOM 0 H ASP A 46 -12.792 -3.703 6.834 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.113 -4.852 5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.714 -5.129 4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.429 -6.085 6.252 1.00 0.00 H new ATOM 751 N ARG A 47 -16.129 -5.686 7.705 1.00 0.00 N ATOM 752 CA ARG A 47 -16.783 -6.380 8.811 1.00 0.00 C ATOM 753 C ARG A 47 -16.620 -7.896 8.721 1.00 0.00 C ATOM 754 O ARG A 47 -16.501 -8.571 9.743 1.00 0.00 O ATOM 755 CB ARG A 47 -18.266 -6.008 8.848 1.00 0.00 C ATOM 756 CG ARG A 47 -18.507 -4.507 8.819 1.00 0.00 C ATOM 757 CD ARG A 47 -19.984 -4.172 8.917 1.00 0.00 C ATOM 758 NE ARG A 47 -20.228 -2.736 8.799 1.00 0.00 N ATOM 759 CZ ARG A 47 -21.333 -2.136 9.236 1.00 0.00 C ATOM 760 NH1 ARG A 47 -22.292 -2.845 9.818 1.00 0.00 N ATOM 761 NH2 ARG A 47 -21.478 -0.826 9.091 1.00 0.00 N ATOM 0 H ARG A 47 -16.746 -5.068 7.178 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.299 -6.061 9.734 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.771 -6.467 7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.716 -6.425 9.749 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.972 -4.037 9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.100 -4.091 7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.528 -4.698 8.132 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.374 -4.529 9.870 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.511 -2.161 8.357 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.184 -3.853 9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.137 -2.382 10.152 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.743 -0.278 8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -22.325 -0.366 9.426 1.00 0.00 H new ATOM 775 N ASP A 48 -16.613 -8.430 7.503 1.00 0.00 N ATOM 776 CA ASP A 48 -16.465 -9.871 7.313 1.00 0.00 C ATOM 777 C ASP A 48 -15.013 -10.309 7.489 1.00 0.00 C ATOM 778 O ASP A 48 -14.735 -11.482 7.733 1.00 0.00 O ATOM 779 CB ASP A 48 -16.964 -10.276 5.925 1.00 0.00 C ATOM 780 CG ASP A 48 -18.400 -9.859 5.682 1.00 0.00 C ATOM 781 OD1 ASP A 48 -19.313 -10.565 6.159 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.612 -8.825 5.013 1.00 0.00 O ATOM 0 H ASP A 48 -16.707 -7.894 6.640 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.066 -10.370 8.073 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.324 -9.825 5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.879 -11.357 5.812 1.00 0.00 H new ATOM 787 N GLY A 49 -14.092 -9.357 7.366 1.00 0.00 N ATOM 788 CA GLY A 49 -12.680 -9.658 7.526 1.00 0.00 C ATOM 789 C GLY A 49 -12.175 -10.684 6.530 1.00 0.00 C ATOM 790 O GLY A 49 -11.069 -11.205 6.677 1.00 0.00 O ATOM 0 H GLY A 49 -14.299 -8.380 7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.104 -8.739 7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.505 -10.025 8.537 1.00 0.00 H new ATOM 794 N ASN A 50 -12.980 -10.975 5.512 1.00 0.00 N ATOM 795 CA ASN A 50 -12.598 -11.947 4.490 1.00 0.00 C ATOM 796 C ASN A 50 -11.435 -11.428 3.649 1.00 0.00 C ATOM 797 O ASN A 50 -10.911 -12.141 2.794 1.00 0.00 O ATOM 798 CB ASN A 50 -13.789 -12.273 3.584 1.00 0.00 C ATOM 799 CG ASN A 50 -14.387 -11.039 2.935 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.339 -9.942 3.493 1.00 0.00 O ATOM 801 ND2 ASN A 50 -14.960 -11.213 1.751 1.00 0.00 N ATOM 0 H ASN A 50 -13.898 -10.554 5.372 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.280 -12.857 4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.470 -12.968 2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.557 -12.779 4.169 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.383 -10.421 1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.978 -12.139 1.324 1.00 0.00 H new ATOM 808 N GLY A 51 -11.035 -10.185 3.901 1.00 0.00 N ATOM 809 CA GLY A 51 -9.940 -9.594 3.158 1.00 0.00 C ATOM 810 C GLY A 51 -10.425 -8.755 1.993 1.00 0.00 C ATOM 811 O GLY A 51 -9.695 -7.904 1.484 1.00 0.00 O ATOM 0 H GLY A 51 -11.451 -9.578 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.343 -8.974 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.287 -10.384 2.787 1.00 0.00 H new ATOM 815 N PHE A 52 -11.662 -8.997 1.572 1.00 0.00 N ATOM 816 CA PHE A 52 -12.253 -8.258 0.462 1.00 0.00 C ATOM 817 C PHE A 52 -13.413 -7.397 0.951 1.00 0.00 C ATOM 818 O PHE A 52 -14.306 -7.882 1.644 1.00 0.00 O ATOM 819 CB PHE A 52 -12.745 -9.226 -0.617 1.00 0.00 C ATOM 820 CG PHE A 52 -11.902 -10.463 -0.749 1.00 0.00 C ATOM 821 CD1 PHE A 52 -10.797 -10.483 -1.585 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.218 -11.608 -0.036 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.023 -11.621 -1.704 1.00 0.00 C ATOM 824 CE2 PHE A 52 -11.449 -12.748 -0.151 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.349 -12.757 -0.986 1.00 0.00 C ATOM 0 H PHE A 52 -12.276 -9.700 1.983 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.488 -7.609 0.036 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.770 -9.518 -0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.766 -8.707 -1.576 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.538 -9.599 -2.150 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.077 -11.608 0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.163 -11.623 -2.358 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.707 -13.633 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.746 -13.648 -1.078 1.00 0.00 H new ATOM 835 N ILE A 53 -13.397 -6.120 0.585 1.00 0.00 N ATOM 836 CA ILE A 53 -14.449 -5.196 0.994 1.00 0.00 C ATOM 837 C ILE A 53 -15.558 -5.115 -0.051 1.00 0.00 C ATOM 838 O ILE A 53 -15.292 -4.999 -1.248 1.00 0.00 O ATOM 839 CB ILE A 53 -13.884 -3.782 1.235 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.771 -3.825 2.283 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.991 -2.832 1.672 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.741 -2.734 2.105 1.00 0.00 C ATOM 0 H ILE A 53 -12.668 -5.701 0.007 1.00 0.00 H new ATOM 0 HA ILE A 53 -14.864 -5.583 1.924 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.464 -3.413 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.213 -3.740 3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.275 -4.795 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.574 -1.839 1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.754 -2.780 0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.439 -3.196 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.980 -2.822 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.273 -2.832 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.225 -1.760 2.180 1.00 0.00 H new ATOM 854 N SER A 54 -16.802 -5.173 0.415 1.00 0.00 N ATOM 855 CA SER A 54 -17.957 -5.096 -0.471 1.00 0.00 C ATOM 856 C SER A 54 -18.417 -3.649 -0.615 1.00 0.00 C ATOM 857 O SER A 54 -17.867 -2.756 0.027 1.00 0.00 O ATOM 858 CB SER A 54 -19.102 -5.960 0.061 1.00 0.00 C ATOM 859 OG SER A 54 -18.730 -7.328 0.106 1.00 0.00 O ATOM 0 H SER A 54 -17.035 -5.273 1.403 1.00 0.00 H new ATOM 0 HA SER A 54 -17.664 -5.473 -1.451 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.383 -5.623 1.059 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.979 -5.839 -0.575 1.00 0.00 H new ATOM 0 HG SER A 54 -17.756 -7.405 0.027 1.00 0.00 H new ATOM 865 N LYS A 55 -19.417 -3.414 -1.459 1.00 0.00 N ATOM 866 CA LYS A 55 -19.926 -2.064 -1.668 1.00 0.00 C ATOM 867 C LYS A 55 -20.577 -1.521 -0.398 1.00 0.00 C ATOM 868 O LYS A 55 -20.269 -0.414 0.044 1.00 0.00 O ATOM 869 CB LYS A 55 -20.933 -2.040 -2.822 1.00 0.00 C ATOM 870 CG LYS A 55 -20.368 -2.551 -4.140 1.00 0.00 C ATOM 871 CD LYS A 55 -20.576 -4.050 -4.298 1.00 0.00 C ATOM 872 CE LYS A 55 -22.025 -4.384 -4.612 1.00 0.00 C ATOM 873 NZ LYS A 55 -22.406 -3.962 -5.989 1.00 0.00 N ATOM 0 H LYS A 55 -19.888 -4.135 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.080 -1.425 -1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.798 -2.644 -2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.288 -1.019 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.846 -2.028 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.303 -2.324 -4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.935 -4.425 -5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.275 -4.558 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.182 -5.457 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.676 -3.893 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.353 -3.533 -5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.718 -3.267 -6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.413 -4.791 -6.617 1.00 0.00 H new ATOM 887 N GLN A 56 -21.475 -2.311 0.187 1.00 0.00 N ATOM 888 CA GLN A 56 -22.172 -1.909 1.404 1.00 0.00 C ATOM 889 C GLN A 56 -21.184 -1.594 2.524 1.00 0.00 C ATOM 890 O GLN A 56 -21.390 -0.659 3.300 1.00 0.00 O ATOM 891 CB GLN A 56 -23.135 -3.012 1.850 1.00 0.00 C ATOM 892 CG GLN A 56 -24.235 -2.522 2.782 1.00 0.00 C ATOM 893 CD GLN A 56 -25.422 -1.926 2.042 1.00 0.00 C ATOM 894 OE1 GLN A 56 -25.171 -1.349 0.870 1.00 0.00 O flip ATOM 895 NE2 GLN A 56 -26.554 -1.984 2.519 1.00 0.00 N flip ATOM 0 H GLN A 56 -21.736 -3.233 -0.163 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.740 -1.005 1.185 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -23.591 -3.462 0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -22.568 -3.796 2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -24.578 -3.353 3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -23.823 -1.773 3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -26.705 -2.435 3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -27.342 -1.581 2.012 1.00 0.00 H new ATOM 904 N GLU A 57 -20.113 -2.379 2.606 1.00 0.00 N ATOM 905 CA GLU A 57 -19.091 -2.178 3.630 1.00 0.00 C ATOM 906 C GLU A 57 -18.291 -0.914 3.342 1.00 0.00 C ATOM 907 O GLU A 57 -18.005 -0.123 4.244 1.00 0.00 O ATOM 908 CB GLU A 57 -18.157 -3.388 3.693 1.00 0.00 C ATOM 909 CG GLU A 57 -18.856 -4.673 4.108 1.00 0.00 C ATOM 910 CD GLU A 57 -17.957 -5.890 3.995 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.188 -6.152 4.944 1.00 0.00 O ATOM 912 OE2 GLU A 57 -18.024 -6.581 2.957 1.00 0.00 O ATOM 0 H GLU A 57 -19.930 -3.160 1.976 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.586 -2.066 4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.697 -3.533 2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.351 -3.179 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.204 -4.577 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.739 -4.819 3.486 1.00 0.00 H new ATOM 919 N LEU A 58 -17.925 -0.735 2.078 1.00 0.00 N ATOM 920 CA LEU A 58 -17.170 0.435 1.658 1.00 0.00 C ATOM 921 C LEU A 58 -17.973 1.701 1.945 1.00 0.00 C ATOM 922 O LEU A 58 -17.412 2.777 2.149 1.00 0.00 O ATOM 923 CB LEU A 58 -16.847 0.337 0.161 1.00 0.00 C ATOM 924 CG LEU A 58 -15.541 1.003 -0.291 1.00 0.00 C ATOM 925 CD1 LEU A 58 -15.634 2.516 -0.188 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.363 0.479 0.518 1.00 0.00 C ATOM 0 H LEU A 58 -18.141 -1.389 1.325 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.235 0.479 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.808 -0.717 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.671 0.782 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.379 0.748 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.694 2.961 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.445 2.875 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.829 2.799 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.446 0.964 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.522 0.696 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.276 -0.598 0.378 1.00 0.00 H new ATOM 938 N GLY A 59 -19.295 1.553 1.976 1.00 0.00 N ATOM 939 CA GLY A 59 -20.164 2.682 2.246 1.00 0.00 C ATOM 940 C GLY A 59 -20.013 3.181 3.666 1.00 0.00 C ATOM 941 O GLY A 59 -20.399 4.305 3.987 1.00 0.00 O ATOM 0 H GLY A 59 -19.779 0.669 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.936 3.490 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.200 2.393 2.071 1.00 0.00 H new ATOM 945 N THR A 60 -19.445 2.334 4.520 1.00 0.00 N ATOM 946 CA THR A 60 -19.226 2.679 5.916 1.00 0.00 C ATOM 947 C THR A 60 -17.884 3.385 6.080 1.00 0.00 C ATOM 948 O THR A 60 -17.675 4.142 7.028 1.00 0.00 O ATOM 949 CB THR A 60 -19.256 1.426 6.812 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.474 0.703 6.596 1.00 0.00 O ATOM 951 CG2 THR A 60 -19.141 1.801 8.282 1.00 0.00 C ATOM 0 H THR A 60 -19.127 1.399 4.265 1.00 0.00 H new ATOM 0 HA THR A 60 -20.032 3.346 6.223 1.00 0.00 H new ATOM 0 HB THR A 60 -18.404 0.800 6.548 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.287 -0.259 6.591 1.00 0.00 H new ATOM 0 HG21 THR A 60 -19.165 0.897 8.891 1.00 0.00 H new ATOM 0 HG22 THR A 60 -18.202 2.328 8.451 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.974 2.447 8.559 1.00 0.00 H new ATOM 959 N ALA A 61 -16.976 3.123 5.145 1.00 0.00 N ATOM 960 CA ALA A 61 -15.654 3.737 5.168 1.00 0.00 C ATOM 961 C ALA A 61 -15.732 5.214 4.795 1.00 0.00 C ATOM 962 O ALA A 61 -15.140 6.064 5.459 1.00 0.00 O ATOM 963 CB ALA A 61 -14.715 3.003 4.222 1.00 0.00 C ATOM 0 H ALA A 61 -17.132 2.489 4.361 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.262 3.663 6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.731 3.472 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.629 1.961 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.111 3.049 3.208 1.00 0.00 H new ATOM 969 N MET A 62 -16.466 5.509 3.727 1.00 0.00 N ATOM 970 CA MET A 62 -16.627 6.882 3.258 1.00 0.00 C ATOM 971 C MET A 62 -17.304 7.757 4.310 1.00 0.00 C ATOM 972 O MET A 62 -16.823 8.847 4.622 1.00 0.00 O ATOM 973 CB MET A 62 -17.439 6.906 1.961 1.00 0.00 C ATOM 974 CG MET A 62 -16.742 6.223 0.795 1.00 0.00 C ATOM 975 SD MET A 62 -15.214 7.051 0.319 1.00 0.00 S ATOM 976 CE MET A 62 -15.845 8.637 -0.227 1.00 0.00 C ATOM 0 H MET A 62 -16.960 4.814 3.168 1.00 0.00 H new ATOM 0 HA MET A 62 -15.633 7.287 3.070 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.400 6.421 2.134 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.649 7.941 1.692 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.523 5.189 1.063 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.417 6.194 -0.060 1.00 0.00 H new ATOM 0 HE1 MET A 62 -15.094 9.137 -0.839 1.00 0.00 H new ATOM 0 HE2 MET A 62 -16.750 8.486 -0.816 1.00 0.00 H new ATOM 0 HE3 MET A 62 -16.076 9.255 0.641 1.00 0.00 H new ATOM 986 N ARG A 63 -18.421 7.277 4.854 1.00 0.00 N ATOM 987 CA ARG A 63 -19.159 8.026 5.868 1.00 0.00 C ATOM 988 C ARG A 63 -18.274 8.341 7.068 1.00 0.00 C ATOM 989 O ARG A 63 -18.470 9.350 7.747 1.00 0.00 O ATOM 990 CB ARG A 63 -20.396 7.246 6.320 1.00 0.00 C ATOM 991 CG ARG A 63 -20.072 5.914 6.974 1.00 0.00 C ATOM 992 CD ARG A 63 -21.300 5.297 7.624 1.00 0.00 C ATOM 993 NE ARG A 63 -22.384 5.092 6.667 1.00 0.00 N ATOM 994 CZ ARG A 63 -23.539 4.506 6.973 1.00 0.00 C ATOM 995 NH1 ARG A 63 -23.756 4.061 8.203 1.00 0.00 N ATOM 996 NH2 ARG A 63 -24.477 4.364 6.047 1.00 0.00 N ATOM 0 H ARG A 63 -18.833 6.376 4.610 1.00 0.00 H new ATOM 0 HA ARG A 63 -19.479 8.967 5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.964 7.857 7.022 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -21.039 7.071 5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.672 5.229 6.227 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -19.295 6.056 7.725 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.030 4.342 8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -21.646 5.944 8.430 1.00 0.00 H new ATOM 0 HE ARG A 63 -22.248 5.416 5.710 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -23.037 4.167 8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -24.642 3.612 8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -24.314 4.704 5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -25.362 3.915 6.282 1.00 0.00 H new ATOM 1010 N SER A 64 -17.304 7.470 7.331 1.00 0.00 N ATOM 1011 CA SER A 64 -16.386 7.663 8.448 1.00 0.00 C ATOM 1012 C SER A 64 -15.656 8.996 8.321 1.00 0.00 C ATOM 1013 O SER A 64 -15.407 9.677 9.315 1.00 0.00 O ATOM 1014 CB SER A 64 -15.374 6.516 8.514 1.00 0.00 C ATOM 1015 OG SER A 64 -14.501 6.669 9.621 1.00 0.00 O ATOM 0 H SER A 64 -17.134 6.625 6.786 1.00 0.00 H new ATOM 0 HA SER A 64 -16.969 7.671 9.369 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.902 5.565 8.592 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.794 6.485 7.591 1.00 0.00 H new ATOM 0 HG SER A 64 -13.865 5.923 9.642 1.00 0.00 H new ATOM 1021 N LEU A 65 -15.317 9.361 7.087 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.618 10.613 6.824 1.00 0.00 C ATOM 1023 C LEU A 65 -15.575 11.799 6.909 1.00 0.00 C ATOM 1024 O LEU A 65 -15.145 12.948 7.016 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.961 10.571 5.442 1.00 0.00 C ATOM 1026 CG LEU A 65 -13.224 9.269 5.109 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.632 9.334 3.708 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.135 8.990 6.135 1.00 0.00 C ATOM 0 H LEU A 65 -15.516 8.806 6.254 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.846 10.737 7.584 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.729 10.738 4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.255 11.398 5.368 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.944 8.451 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.113 8.401 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.431 9.484 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.928 10.164 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.624 8.061 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.417 9.810 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.582 8.898 7.125 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.873 11.512 6.859 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.872 12.563 6.930 1.00 0.00 C ATOM 1042 C GLY A 66 -18.720 12.647 5.676 1.00 0.00 C ATOM 1043 O GLY A 66 -19.471 13.606 5.491 1.00 0.00 O ATOM 0 H GLY A 66 -17.251 10.569 6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.518 12.387 7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.376 13.520 7.094 1.00 0.00 H new ATOM 1047 N TYR A 67 -18.599 11.643 4.814 1.00 0.00 N ATOM 1048 CA TYR A 67 -19.361 11.600 3.569 1.00 0.00 C ATOM 1049 C TYR A 67 -20.187 10.321 3.489 1.00 0.00 C ATOM 1050 O TYR A 67 -19.694 9.282 3.052 1.00 0.00 O ATOM 1051 CB TYR A 67 -18.416 11.687 2.369 1.00 0.00 C ATOM 1052 CG TYR A 67 -17.394 12.794 2.484 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -17.687 14.083 2.059 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -16.135 12.551 3.022 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -16.757 15.099 2.166 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -15.200 13.562 3.132 1.00 0.00 C ATOM 1057 CZ TYR A 67 -15.515 14.833 2.703 1.00 0.00 C ATOM 1058 OH TYR A 67 -14.586 15.842 2.812 1.00 0.00 O ATOM 0 H TYR A 67 -17.979 10.845 4.954 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.039 12.453 3.551 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.897 10.735 2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -19.004 11.839 1.464 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -18.659 14.295 1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.884 11.556 3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -17.001 16.096 1.831 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.226 13.357 3.552 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.764 15.488 3.212 1.00 0.00 H new ATOM 1068 N MET A 68 -21.446 10.404 3.912 1.00 0.00 N ATOM 1069 CA MET A 68 -22.337 9.247 3.901 1.00 0.00 C ATOM 1070 C MET A 68 -22.877 8.965 2.494 1.00 0.00 C ATOM 1071 O MET A 68 -23.661 9.747 1.955 1.00 0.00 O ATOM 1072 CB MET A 68 -23.500 9.468 4.873 1.00 0.00 C ATOM 1073 CG MET A 68 -24.238 10.780 4.659 1.00 0.00 C ATOM 1074 SD MET A 68 -25.614 11.000 5.803 1.00 0.00 S ATOM 1075 CE MET A 68 -26.660 9.619 5.349 1.00 0.00 C ATOM 0 H MET A 68 -21.872 11.260 4.267 1.00 0.00 H new ATOM 0 HA MET A 68 -21.759 8.379 4.219 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.206 8.644 4.773 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.119 9.439 5.894 1.00 0.00 H new ATOM 0 HG2 MET A 68 -23.539 11.608 4.775 1.00 0.00 H new ATOM 0 HG3 MET A 68 -24.612 10.819 3.636 1.00 0.00 H new ATOM 0 HE1 MET A 68 -27.674 9.797 5.708 1.00 0.00 H new ATOM 0 HE2 MET A 68 -26.672 9.513 4.264 1.00 0.00 H new ATOM 0 HE3 MET A 68 -26.271 8.705 5.798 1.00 0.00 H new ATOM 1085 N PRO A 69 -22.458 7.841 1.874 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.911 7.457 0.541 1.00 0.00 C ATOM 1087 C PRO A 69 -24.161 6.586 0.587 1.00 0.00 C ATOM 1088 O PRO A 69 -24.325 5.769 1.494 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.723 6.660 0.014 1.00 0.00 C ATOM 1090 CG PRO A 69 -21.154 5.990 1.222 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.500 6.856 2.413 1.00 0.00 C ATOM 0 HA PRO A 69 -23.189 8.313 -0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.035 5.931 -0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.989 7.310 -0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.570 4.989 1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.074 5.878 1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.942 6.269 3.218 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.615 7.343 2.823 1.00 0.00 H new ATOM 1099 N ASN A 70 -25.039 6.765 -0.393 1.00 0.00 N ATOM 1100 CA ASN A 70 -26.272 5.990 -0.464 1.00 0.00 C ATOM 1101 C ASN A 70 -26.041 4.673 -1.196 1.00 0.00 C ATOM 1102 O ASN A 70 -24.931 4.393 -1.647 1.00 0.00 O ATOM 1103 CB ASN A 70 -27.367 6.798 -1.158 1.00 0.00 C ATOM 1104 CG ASN A 70 -26.810 7.668 -2.261 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -26.583 7.070 -3.418 1.00 0.00 O flip ATOM 1106 ND2 ASN A 70 -26.578 8.861 -2.070 1.00 0.00 N flip ATOM 0 H ASN A 70 -24.920 7.439 -1.149 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.594 5.764 0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -28.112 6.119 -1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.877 7.423 -0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -26.770 9.278 -1.159 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -26.194 9.433 -2.822 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.090 3.867 -1.314 1.00 0.00 N ATOM 1114 CA GLU A 71 -26.990 2.576 -1.988 1.00 0.00 C ATOM 1115 C GLU A 71 -26.536 2.739 -3.437 1.00 0.00 C ATOM 1116 O GLU A 71 -26.044 1.792 -4.052 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.338 1.850 -1.943 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.449 2.585 -2.673 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.776 1.855 -2.600 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.000 0.947 -3.430 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.591 2.189 -1.715 1.00 0.00 O ATOM 0 H GLU A 71 -28.019 4.084 -0.952 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.242 1.982 -1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.222 0.858 -2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.630 1.708 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.562 3.581 -2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.168 2.716 -3.718 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.699 3.942 -3.978 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.313 4.220 -5.357 1.00 0.00 C ATOM 1130 C VAL A 72 -24.869 4.708 -5.451 1.00 0.00 C ATOM 1131 O VAL A 72 -24.189 4.471 -6.451 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.243 5.271 -5.992 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -26.916 5.461 -7.466 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -28.700 4.873 -5.808 1.00 0.00 C ATOM 0 H VAL A 72 -27.096 4.740 -3.482 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.402 3.281 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 72 -27.082 6.223 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -27.585 6.208 -7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -25.884 5.797 -7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -27.044 4.515 -7.992 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -29.343 5.627 -6.263 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -28.877 3.909 -6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -28.925 4.798 -4.744 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.404 5.389 -4.408 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.043 5.917 -4.384 1.00 0.00 C ATOM 1146 C GLU A 73 -22.010 4.807 -4.203 1.00 0.00 C ATOM 1147 O GLU A 73 -21.067 4.694 -4.986 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.892 6.953 -3.266 1.00 0.00 C ATOM 1149 CG GLU A 73 -23.599 8.268 -3.550 1.00 0.00 C ATOM 1150 CD GLU A 73 -23.114 8.930 -4.824 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -22.051 9.586 -4.785 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -23.795 8.792 -5.862 1.00 0.00 O ATOM 0 H GLU A 73 -24.949 5.588 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.861 6.394 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -23.283 6.533 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.832 7.148 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.672 8.090 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -23.445 8.947 -2.711 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.191 3.988 -3.171 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.263 2.894 -2.885 1.00 0.00 C ATOM 1161 C LEU A 74 -21.065 1.983 -4.099 1.00 0.00 C ATOM 1162 O LEU A 74 -20.106 1.212 -4.154 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.757 2.081 -1.682 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.240 1.700 -1.709 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.475 0.505 -2.619 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.738 1.400 -0.303 1.00 0.00 C ATOM 0 H LEU A 74 -22.971 4.060 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.295 3.335 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.166 1.167 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.563 2.653 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.801 2.547 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.535 0.253 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.158 0.751 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -22.901 -0.347 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.794 1.131 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.167 0.571 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.611 2.282 0.324 1.00 0.00 H new ATOM 1178 N GLU A 75 -21.971 2.078 -5.067 1.00 0.00 N ATOM 1179 CA GLU A 75 -21.893 1.255 -6.273 1.00 0.00 C ATOM 1180 C GLU A 75 -20.938 1.849 -7.309 1.00 0.00 C ATOM 1181 O GLU A 75 -20.285 1.113 -8.048 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.282 1.095 -6.896 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.241 0.269 -6.055 1.00 0.00 C ATOM 1184 CD GLU A 75 -23.816 -1.181 -5.937 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -24.036 -1.943 -6.902 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -23.267 -1.554 -4.881 1.00 0.00 O ATOM 0 H GLU A 75 -22.767 2.715 -5.042 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.506 0.281 -5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.713 2.083 -7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.179 0.629 -7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.312 0.705 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -25.237 0.317 -6.495 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.856 3.177 -7.360 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.988 3.846 -8.328 1.00 0.00 C ATOM 1195 C VAL A 76 -18.576 4.062 -7.789 1.00 0.00 C ATOM 1196 O VAL A 76 -17.629 4.220 -8.559 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.573 5.205 -8.769 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.933 5.015 -9.423 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.673 6.158 -7.588 1.00 0.00 C ATOM 0 H VAL A 76 -21.375 3.807 -6.748 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.932 3.180 -9.189 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.898 5.645 -9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.329 5.984 -9.727 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.829 4.374 -10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.617 4.550 -8.713 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -21.088 7.109 -7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.322 5.727 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.681 6.322 -7.168 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.441 4.077 -6.470 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.141 4.280 -5.838 1.00 0.00 C ATOM 1211 C ILE A 77 -16.324 2.988 -5.804 1.00 0.00 C ATOM 1212 O ILE A 77 -15.095 3.020 -5.750 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.307 4.820 -4.404 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -18.148 6.097 -4.422 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -15.949 5.082 -3.767 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -19.125 6.194 -3.273 1.00 0.00 C ATOM 0 H ILE A 77 -19.214 3.951 -5.816 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.604 5.013 -6.439 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.821 4.069 -3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.483 6.960 -4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.699 6.146 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.089 5.463 -2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.379 4.153 -3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.405 5.818 -4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.687 7.125 -3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.814 5.350 -3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.580 6.177 -2.329 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.016 1.855 -5.848 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.359 0.551 -5.804 1.00 0.00 C ATOM 1230 C ILE A 78 -15.777 0.142 -7.158 1.00 0.00 C ATOM 1231 O ILE A 78 -14.723 -0.490 -7.214 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.336 -0.540 -5.307 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.408 -0.523 -3.778 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -16.930 -1.923 -5.812 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.124 -0.960 -3.101 1.00 0.00 C ATOM 0 H ILE A 78 -18.033 1.812 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.531 0.646 -5.102 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.325 -0.320 -5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.658 0.485 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.219 -1.175 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.637 -2.667 -5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -16.932 -1.927 -6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -15.930 -2.163 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.252 -0.922 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -15.883 -1.979 -3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.313 -0.293 -3.394 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.452 0.502 -8.245 1.00 0.00 N ATOM 1248 CA GLN A 79 -15.982 0.139 -9.580 1.00 0.00 C ATOM 1249 C GLN A 79 -14.623 0.765 -9.885 1.00 0.00 C ATOM 1250 O GLN A 79 -13.846 0.226 -10.673 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.000 0.564 -10.640 1.00 0.00 C ATOM 1252 CG GLN A 79 -17.224 2.066 -10.704 1.00 0.00 C ATOM 1253 CD GLN A 79 -18.220 2.463 -11.776 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -18.346 1.794 -12.802 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -18.934 3.558 -11.543 1.00 0.00 N ATOM 0 H GLN A 79 -17.319 1.040 -8.230 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.870 -0.945 -9.604 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -16.663 0.214 -11.616 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.951 0.072 -10.436 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -17.579 2.418 -9.735 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.273 2.563 -10.895 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.797 4.082 -10.679 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.620 3.875 -12.228 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.338 1.904 -9.257 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.072 2.600 -9.469 1.00 0.00 C ATOM 1266 C ARG A 80 -11.884 1.723 -9.082 1.00 0.00 C ATOM 1267 O ARG A 80 -10.851 1.732 -9.753 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.040 3.898 -8.657 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.238 4.807 -8.892 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.215 5.431 -10.280 1.00 0.00 C ATOM 1271 NE ARG A 80 -14.559 4.468 -11.323 1.00 0.00 N ATOM 1272 CZ ARG A 80 -14.778 4.800 -12.593 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -14.690 6.066 -12.978 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -15.086 3.862 -13.479 1.00 0.00 N ATOM 0 H ARG A 80 -14.966 2.364 -8.598 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.994 2.833 -10.531 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.988 3.650 -7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.129 4.445 -8.901 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.157 4.235 -8.767 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.248 5.596 -8.140 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.915 6.266 -10.313 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.224 5.839 -10.477 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.636 3.485 -11.063 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.454 6.790 -12.300 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.859 6.316 -13.952 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.155 2.887 -13.187 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.254 4.116 -14.453 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.034 0.969 -7.999 1.00 0.00 N ATOM 1289 CA LEU A 81 -10.965 0.099 -7.517 1.00 0.00 C ATOM 1290 C LEU A 81 -11.077 -1.299 -8.120 1.00 0.00 C ATOM 1291 O LEU A 81 -10.085 -1.872 -8.569 1.00 0.00 O ATOM 1292 CB LEU A 81 -10.994 0.004 -5.986 1.00 0.00 C ATOM 1293 CG LEU A 81 -10.824 1.329 -5.229 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -9.625 2.105 -5.751 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -12.090 2.170 -5.322 1.00 0.00 C ATOM 0 H LEU A 81 -12.885 0.942 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.018 0.538 -7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.942 -0.444 -5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.205 -0.677 -5.668 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.644 1.095 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.527 3.039 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.721 1.510 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.766 2.323 -6.810 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.947 3.104 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.306 2.388 -6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.925 1.621 -4.886 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.290 -1.842 -8.122 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.537 -3.175 -8.661 1.00 0.00 C ATOM 1309 C ASP A 82 -12.360 -3.193 -10.180 1.00 0.00 C ATOM 1310 O ASP A 82 -13.330 -3.083 -10.931 1.00 0.00 O ATOM 1311 CB ASP A 82 -13.946 -3.637 -8.284 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.183 -5.099 -8.598 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.500 -5.953 -7.993 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.054 -5.391 -9.441 1.00 0.00 O ATOM 0 H ASP A 82 -13.121 -1.377 -7.755 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.809 -3.862 -8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.107 -3.467 -7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.678 -3.031 -8.818 1.00 0.00 H new ATOM 1319 N MET A 83 -11.113 -3.331 -10.621 1.00 0.00 N ATOM 1320 CA MET A 83 -10.795 -3.356 -12.046 1.00 0.00 C ATOM 1321 C MET A 83 -10.972 -4.750 -12.648 1.00 0.00 C ATOM 1322 O MET A 83 -11.536 -4.897 -13.731 1.00 0.00 O ATOM 1323 CB MET A 83 -9.360 -2.873 -12.273 1.00 0.00 C ATOM 1324 CG MET A 83 -8.327 -3.614 -11.439 1.00 0.00 C ATOM 1325 SD MET A 83 -6.681 -2.888 -11.564 1.00 0.00 S ATOM 1326 CE MET A 83 -6.970 -1.263 -10.868 1.00 0.00 C ATOM 0 H MET A 83 -10.303 -3.428 -10.009 1.00 0.00 H new ATOM 0 HA MET A 83 -11.493 -2.686 -12.548 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.111 -2.986 -13.328 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.304 -1.809 -12.044 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.641 -3.614 -10.395 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.286 -4.655 -11.760 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.133 -0.988 -10.227 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.066 -0.534 -11.673 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.888 -1.277 -10.280 1.00 0.00 H new ATOM 1336 N ASP A 84 -10.490 -5.768 -11.942 1.00 0.00 N ATOM 1337 CA ASP A 84 -10.586 -7.142 -12.424 1.00 0.00 C ATOM 1338 C ASP A 84 -12.029 -7.639 -12.435 1.00 0.00 C ATOM 1339 O ASP A 84 -12.360 -8.594 -13.139 1.00 0.00 O ATOM 1340 CB ASP A 84 -9.716 -8.066 -11.570 1.00 0.00 C ATOM 1341 CG ASP A 84 -9.796 -7.732 -10.094 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -10.907 -7.424 -9.615 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -8.747 -7.783 -9.419 1.00 0.00 O ATOM 0 H ASP A 84 -10.030 -5.668 -11.037 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.223 -7.156 -13.452 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.028 -9.099 -11.724 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.680 -7.993 -11.901 1.00 0.00 H new ATOM 1348 N GLY A 85 -12.885 -6.989 -11.653 1.00 0.00 N ATOM 1349 CA GLY A 85 -14.284 -7.379 -11.602 1.00 0.00 C ATOM 1350 C GLY A 85 -14.540 -8.551 -10.672 1.00 0.00 C ATOM 1351 O GLY A 85 -15.071 -9.577 -11.094 1.00 0.00 O ATOM 0 H GLY A 85 -12.637 -6.201 -11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.881 -6.527 -11.277 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.620 -7.639 -12.606 1.00 0.00 H new ATOM 1355 N ASP A 86 -14.166 -8.397 -9.406 1.00 0.00 N ATOM 1356 CA ASP A 86 -14.365 -9.450 -8.415 1.00 0.00 C ATOM 1357 C ASP A 86 -15.472 -9.076 -7.434 1.00 0.00 C ATOM 1358 O ASP A 86 -15.726 -9.799 -6.470 1.00 0.00 O ATOM 1359 CB ASP A 86 -13.069 -9.723 -7.651 1.00 0.00 C ATOM 1360 CG ASP A 86 -12.004 -10.365 -8.518 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -12.312 -11.374 -9.186 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -10.862 -9.859 -8.527 1.00 0.00 O ATOM 0 H ASP A 86 -13.723 -7.553 -9.041 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.661 -10.354 -8.947 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.686 -8.786 -7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.282 -10.373 -6.803 1.00 0.00 H new ATOM 1367 N GLY A 87 -16.126 -7.944 -7.682 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.192 -7.496 -6.804 1.00 0.00 C ATOM 1369 C GLY A 87 -16.664 -6.815 -5.555 1.00 0.00 C ATOM 1370 O GLY A 87 -17.331 -5.954 -4.979 1.00 0.00 O ATOM 0 H GLY A 87 -15.937 -7.330 -8.474 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -17.839 -6.806 -7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -17.806 -8.350 -6.517 1.00 0.00 H new ATOM 1374 N GLN A 88 -15.463 -7.202 -5.136 1.00 0.00 N ATOM 1375 CA GLN A 88 -14.838 -6.628 -3.950 1.00 0.00 C ATOM 1376 C GLN A 88 -13.405 -6.201 -4.250 1.00 0.00 C ATOM 1377 O GLN A 88 -12.736 -6.794 -5.097 1.00 0.00 O ATOM 1378 CB GLN A 88 -14.858 -7.637 -2.803 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.258 -8.054 -2.384 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.253 -9.135 -1.322 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.257 -8.726 -0.059 1.00 0.00 O flip ATOM 1382 NE2 GLN A 88 -16.248 -10.326 -1.633 1.00 0.00 N flip ATOM 0 H GLN A 88 -14.901 -7.914 -5.603 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.406 -5.746 -3.655 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.298 -8.523 -3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.343 -7.208 -1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.795 -7.183 -2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.803 -8.411 -3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.245 -10.596 -2.617 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.247 -11.043 -0.907 1.00 0.00 H new ATOM 1391 N VAL A 89 -12.939 -5.171 -3.550 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.587 -4.659 -3.750 1.00 0.00 C ATOM 1393 C VAL A 89 -10.559 -5.486 -2.983 1.00 0.00 C ATOM 1394 O VAL A 89 -10.627 -5.603 -1.759 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.472 -3.189 -3.307 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.138 -2.603 -3.745 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.629 -2.369 -3.857 1.00 0.00 C ATOM 0 H VAL A 89 -13.477 -4.675 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.382 -4.731 -4.818 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.520 -3.154 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.074 -1.563 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.325 -3.173 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.058 -2.652 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.528 -1.334 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.619 -2.410 -4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.571 -2.775 -3.488 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.607 -6.058 -3.716 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.556 -6.869 -3.113 1.00 0.00 C ATOM 1409 C ASP A 90 -7.420 -5.989 -2.601 1.00 0.00 C ATOM 1410 O ASP A 90 -7.249 -4.857 -3.057 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.022 -7.883 -4.126 1.00 0.00 C ATOM 1412 CG ASP A 90 -6.957 -8.786 -3.537 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -7.318 -9.841 -2.974 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -5.761 -8.440 -3.640 1.00 0.00 O ATOM 0 H ASP A 90 -9.543 -5.974 -4.730 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.983 -7.407 -2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.847 -8.492 -4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.610 -7.352 -4.984 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.650 -6.514 -1.650 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.531 -5.776 -1.067 1.00 0.00 C ATOM 1421 C PHE A 91 -4.657 -5.132 -2.141 1.00 0.00 C ATOM 1422 O PHE A 91 -4.499 -3.911 -2.168 1.00 0.00 O ATOM 1423 CB PHE A 91 -4.682 -6.704 -0.194 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.428 -6.059 0.329 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.496 -4.951 1.157 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.182 -6.561 -0.012 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.345 -4.354 1.636 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.028 -5.968 0.464 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.109 -4.864 1.289 1.00 0.00 C ATOM 0 H PHE A 91 -6.781 -7.450 -1.266 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.949 -4.979 -0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.283 -7.047 0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.412 -7.587 -0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.460 -4.549 1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.112 -7.425 -0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.412 -3.490 2.281 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.063 -6.368 0.191 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.208 -4.400 1.662 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.096 -5.957 -3.020 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.229 -5.474 -4.092 1.00 0.00 C ATOM 1441 C GLU A 92 -3.874 -4.325 -4.867 1.00 0.00 C ATOM 1442 O GLU A 92 -3.295 -3.246 -4.988 1.00 0.00 O ATOM 1443 CB GLU A 92 -2.883 -6.616 -5.049 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.145 -7.764 -4.382 1.00 0.00 C ATOM 1445 CD GLU A 92 -1.756 -8.854 -5.362 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -2.589 -9.749 -5.615 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -0.618 -8.811 -5.875 1.00 0.00 O ATOM 0 H GLU A 92 -4.227 -6.969 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.316 -5.097 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.802 -6.996 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.271 -6.225 -5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.248 -7.381 -3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.774 -8.190 -3.601 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.069 -4.567 -5.396 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.793 -3.558 -6.165 1.00 0.00 C ATOM 1456 C GLU A 93 -5.790 -2.193 -5.473 1.00 0.00 C ATOM 1457 O GLU A 93 -5.694 -1.158 -6.132 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.236 -4.012 -6.399 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.358 -5.196 -7.345 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.760 -5.772 -7.378 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.653 -5.136 -7.977 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -8.966 -6.864 -6.809 1.00 0.00 O ATOM 0 H GLU A 93 -5.559 -5.457 -5.306 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.278 -3.448 -7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.684 -4.276 -5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.810 -3.177 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.073 -4.885 -8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.657 -5.973 -7.041 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.896 -2.193 -4.147 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.923 -0.945 -3.386 1.00 0.00 C ATOM 1471 C PHE A 94 -4.526 -0.499 -2.948 1.00 0.00 C ATOM 1472 O PHE A 94 -4.301 0.686 -2.702 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.826 -1.094 -2.159 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.954 0.170 -1.353 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.737 1.219 -1.809 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.292 0.307 -0.144 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.856 2.383 -1.074 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.407 1.470 0.597 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.191 2.508 0.131 1.00 0.00 C ATOM 0 H PHE A 94 -5.964 -3.037 -3.579 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.321 -0.176 -4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.817 -1.411 -2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.431 -1.885 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.260 1.125 -2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.679 -0.503 0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.468 3.194 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.885 1.566 1.538 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.284 3.416 0.708 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.592 -1.441 -2.853 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.236 -1.118 -2.421 1.00 0.00 C ATOM 1491 C VAL A 95 -1.438 -0.429 -3.525 1.00 0.00 C ATOM 1492 O VAL A 95 -0.517 0.339 -3.245 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.474 -2.374 -1.939 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -0.815 -3.108 -3.100 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.442 -1.996 -0.887 1.00 0.00 C ATOM 0 H VAL A 95 -3.747 -2.426 -3.067 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.338 -0.428 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.199 -3.053 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.289 -3.985 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.578 -3.421 -3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.106 -2.444 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.086 -2.891 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.271 -1.290 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.943 -1.536 -0.035 1.00 0.00 H new ATOM 1505 N THR A 96 -1.793 -0.700 -4.778 1.00 0.00 N ATOM 1506 CA THR A 96 -1.095 -0.103 -5.910 1.00 0.00 C ATOM 1507 C THR A 96 -1.696 1.248 -6.284 1.00 0.00 C ATOM 1508 O THR A 96 -0.974 2.226 -6.475 1.00 0.00 O ATOM 1509 CB THR A 96 -1.133 -1.030 -7.141 1.00 0.00 C ATOM 1510 OG1 THR A 96 -0.612 -2.319 -6.798 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.324 -0.442 -8.287 1.00 0.00 C ATOM 0 H THR A 96 -2.556 -1.326 -5.033 1.00 0.00 H new ATOM 0 HA THR A 96 -0.060 0.041 -5.602 1.00 0.00 H new ATOM 0 HB THR A 96 -2.170 -1.129 -7.462 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.641 -2.903 -7.584 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.366 -1.114 -9.144 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.738 0.527 -8.565 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.713 -0.317 -7.974 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.022 1.297 -6.391 1.00 0.00 N ATOM 1520 CA LEU A 97 -3.715 2.531 -6.744 1.00 0.00 C ATOM 1521 C LEU A 97 -3.436 3.628 -5.722 1.00 0.00 C ATOM 1522 O LEU A 97 -3.597 4.814 -6.009 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.221 2.282 -6.852 1.00 0.00 C ATOM 1524 CG LEU A 97 -5.643 1.380 -8.014 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.134 1.090 -7.951 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -5.281 2.023 -9.346 1.00 0.00 C ATOM 0 H LEU A 97 -3.636 0.497 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.340 2.864 -7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.569 1.836 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.727 3.242 -6.954 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.105 0.436 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.415 0.447 -8.785 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.368 0.589 -7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.690 2.026 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.588 1.368 -10.161 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.792 2.981 -9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.203 2.180 -9.393 1.00 0.00 H new ATOM 1538 N LEU A 98 -3.015 3.225 -4.527 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.707 4.174 -3.465 1.00 0.00 C ATOM 1540 C LEU A 98 -1.200 4.386 -3.357 1.00 0.00 C ATOM 1541 O LEU A 98 -0.739 5.363 -2.766 1.00 0.00 O ATOM 1542 CB LEU A 98 -3.274 3.678 -2.130 1.00 0.00 C ATOM 1543 CG LEU A 98 -3.083 4.627 -0.943 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -4.296 4.586 -0.027 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -1.823 4.266 -0.169 1.00 0.00 C ATOM 0 H LEU A 98 -2.880 2.247 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.172 5.129 -3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.340 3.489 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.808 2.723 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.974 5.641 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.143 5.266 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.183 4.890 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.434 3.572 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.703 4.951 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.905 3.245 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.957 4.344 -0.827 1.00 0.00 H new ATOM 1557 N GLY A 99 -0.438 3.470 -3.948 1.00 0.00 N ATOM 1558 CA GLY A 99 1.010 3.567 -3.907 1.00 0.00 C ATOM 1559 C GLY A 99 1.622 3.719 -5.290 1.00 0.00 C ATOM 1560 O GLY A 99 0.926 4.090 -6.236 1.00 0.00 O ATOM 0 H GLY A 99 -0.798 2.662 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.297 4.419 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.417 2.676 -3.429 1.00 0.00 H new ATOM 1564 N PRO A 100 2.932 3.444 -5.438 1.00 0.00 N ATOM 1565 CA PRO A 100 3.622 3.557 -6.728 1.00 0.00 C ATOM 1566 C PRO A 100 2.999 2.665 -7.799 1.00 0.00 C ATOM 1567 O PRO A 100 3.341 1.465 -7.842 1.00 0.00 O ATOM 1568 CB PRO A 100 5.054 3.103 -6.418 1.00 0.00 C ATOM 1569 CG PRO A 100 5.201 3.270 -4.946 1.00 0.00 C ATOM 1570 CD PRO A 100 3.842 3.008 -4.364 1.00 0.00 C ATOM 1571 OXT PRO A 100 2.172 3.176 -8.584 1.00 0.00 O ATOM 0 HA PRO A 100 3.564 4.569 -7.129 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.212 2.066 -6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.785 3.705 -6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.938 2.574 -4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.544 4.275 -4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.703 1.955 -4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 100 3.681 3.572 -3.445 1.00 0.00 H new TER 1579 PRO A 100 HETATM 1580 CA CA A 201 -16.494 -8.343 3.313 1.00 0.00 CA HETATM 1581 CA CA A 202 -11.232 -7.360 -7.279 1.00 0.00 CA