USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 607 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 70 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 172:sc=0.000315 (180deg=0) USER MOD Set 2.1: A 61 GLN :FLIP amide:sc= -0.16 F(o=-15,f=-12) USER MOD Set 2.2: A 64 HIS : no HE2:sc= -11.5! C(o=-12!,f=-18!) USER MOD Set 3.1: A 27 ASN :FLIP amide:sc= -2.88 F(o=-5.4,f=-2.9) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 19:sc= 0.323 USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.0767 F(o=-1.1,f=-0.077) USER MOD Single : A 4 MET CE :methyl -152:sc= -0.208 (180deg=-0.871) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 13 MET CE :methyl 166:sc= -2.25 (180deg=-2.49!) USER MOD Single : A 17 ASN : amide:sc= -0.107 K(o=-0.11,f=-1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.439 USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.315) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 170:sc= -2.24 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -169:sc= -4.91! (180deg=-5.7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.264) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= 0.964 (180deg=0.659) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -149:sc= -1.48! (180deg=-2.3!) USER MOD Single : A 69 ASN : amide:sc= -2.42 K(o=-2.4,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -8.903 -23.234 15.926 1.00 0.00 N ATOM 2 CA SER A 2 -8.027 -22.749 16.987 1.00 0.00 C ATOM 3 C SER A 2 -7.519 -21.345 16.674 1.00 0.00 C ATOM 4 O SER A 2 -6.804 -21.137 15.694 1.00 0.00 O ATOM 5 CB SER A 2 -6.845 -23.701 17.178 1.00 0.00 C ATOM 6 OG SER A 2 -7.267 -25.053 17.138 1.00 0.00 O ATOM 0 HA SER A 2 -8.605 -22.710 17.910 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.103 -23.525 16.399 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.360 -23.496 18.132 1.00 0.00 H new ATOM 0 HG SER A 2 -8.143 -25.110 16.702 1.00 0.00 H new ATOM 12 N HIS A 3 -7.893 -20.385 17.513 1.00 0.00 N ATOM 13 CA HIS A 3 -7.475 -19.001 17.325 1.00 0.00 C ATOM 14 C HIS A 3 -7.971 -18.460 15.988 1.00 0.00 C ATOM 15 O HIS A 3 -8.316 -19.225 15.088 1.00 0.00 O ATOM 16 CB HIS A 3 -5.951 -18.891 17.399 1.00 0.00 C ATOM 17 CG HIS A 3 -5.353 -19.635 18.552 1.00 0.00 C ATOM 18 ND1 HIS A 3 -5.134 -20.959 18.735 1.00 0.00 N flip ATOM 19 CD2 HIS A 3 -4.898 -19.013 19.696 1.00 0.00 C flip ATOM 20 CE1 HIS A 3 -4.558 -21.109 19.972 1.00 0.00 C flip ATOM 21 NE2 HIS A 3 -4.426 -19.921 20.531 1.00 0.00 N flip ATOM 0 H HIS A 3 -8.485 -20.540 18.329 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.914 -18.404 18.124 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.522 -19.269 16.471 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.674 -17.839 17.473 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.924 -17.949 19.880 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.261 -22.048 20.416 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.027 -19.735 21.451 1.00 0.00 H new ATOM 30 N MET A 4 -8.002 -17.137 15.864 1.00 0.00 N ATOM 31 CA MET A 4 -8.454 -16.494 14.635 1.00 0.00 C ATOM 32 C MET A 4 -8.399 -14.971 14.759 1.00 0.00 C ATOM 33 O MET A 4 -7.820 -14.295 13.908 1.00 0.00 O ATOM 34 CB MET A 4 -9.878 -16.940 14.289 1.00 0.00 C ATOM 35 CG MET A 4 -10.059 -17.316 12.828 1.00 0.00 C ATOM 36 SD MET A 4 -10.798 -15.990 11.855 1.00 0.00 S ATOM 37 CE MET A 4 -12.419 -15.881 12.610 1.00 0.00 C ATOM 0 H MET A 4 -7.720 -16.489 16.599 1.00 0.00 H new ATOM 0 HA MET A 4 -7.782 -16.798 13.832 1.00 0.00 H new ATOM 0 HB2 MET A 4 -10.143 -17.795 14.911 1.00 0.00 H new ATOM 0 HB3 MET A 4 -10.572 -16.137 14.538 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.091 -17.578 12.402 1.00 0.00 H new ATOM 0 HG3 MET A 4 -10.687 -18.204 12.761 1.00 0.00 H new ATOM 0 HE1 MET A 4 -13.138 -15.515 11.877 1.00 0.00 H new ATOM 0 HE2 MET A 4 -12.726 -16.868 12.958 1.00 0.00 H new ATOM 0 HE3 MET A 4 -12.381 -15.194 13.455 1.00 0.00 H new ATOM 47 N PRO A 5 -9.002 -14.407 15.822 1.00 0.00 N ATOM 48 CA PRO A 5 -9.013 -12.957 16.042 1.00 0.00 C ATOM 49 C PRO A 5 -7.605 -12.394 16.228 1.00 0.00 C ATOM 50 O PRO A 5 -6.918 -12.731 17.191 1.00 0.00 O ATOM 51 CB PRO A 5 -9.838 -12.785 17.330 1.00 0.00 C ATOM 52 CG PRO A 5 -10.589 -14.063 17.485 1.00 0.00 C ATOM 53 CD PRO A 5 -9.717 -15.128 16.887 1.00 0.00 C ATOM 0 HA PRO A 5 -9.428 -12.420 15.189 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.193 -12.600 18.189 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.517 -11.936 17.253 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.794 -14.270 18.535 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.551 -14.015 16.976 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -9.030 -15.548 17.622 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.305 -15.956 16.490 1.00 0.00 H new ATOM 61 N LYS A 6 -7.179 -11.533 15.303 1.00 0.00 N ATOM 62 CA LYS A 6 -5.858 -10.927 15.370 1.00 0.00 C ATOM 63 C LYS A 6 -5.834 -9.819 16.419 1.00 0.00 C ATOM 64 O LYS A 6 -6.419 -9.962 17.491 1.00 0.00 O ATOM 65 CB LYS A 6 -5.466 -10.386 13.989 1.00 0.00 C ATOM 66 CG LYS A 6 -5.722 -11.365 12.854 1.00 0.00 C ATOM 67 CD LYS A 6 -6.175 -10.648 11.592 1.00 0.00 C ATOM 68 CE LYS A 6 -6.546 -11.633 10.495 1.00 0.00 C ATOM 69 NZ LYS A 6 -7.710 -11.161 9.695 1.00 0.00 N ATOM 0 H LYS A 6 -7.735 -11.242 14.499 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.131 -11.683 15.666 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.021 -9.468 13.797 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.408 -10.123 13.998 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.813 -11.929 12.647 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.482 -12.085 13.157 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.033 -10.015 11.820 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.379 -9.992 11.239 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.690 -11.783 9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.779 -12.600 10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.931 -11.860 8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.534 -11.042 10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.479 -10.250 9.250 1.00 0.00 H new ATOM 83 N ARG A 7 -5.157 -8.720 16.114 1.00 0.00 N ATOM 84 CA ARG A 7 -5.074 -7.607 17.052 1.00 0.00 C ATOM 85 C ARG A 7 -4.922 -6.256 16.346 1.00 0.00 C ATOM 86 O ARG A 7 -4.385 -5.310 16.923 1.00 0.00 O ATOM 87 CB ARG A 7 -3.930 -7.830 18.044 1.00 0.00 C ATOM 88 CG ARG A 7 -4.411 -8.186 19.445 1.00 0.00 C ATOM 89 CD ARG A 7 -4.707 -6.940 20.263 1.00 0.00 C ATOM 90 NE ARG A 7 -3.498 -6.376 20.858 1.00 0.00 N ATOM 91 CZ ARG A 7 -2.797 -6.973 21.819 1.00 0.00 C ATOM 92 NH1 ARG A 7 -3.180 -8.151 22.296 1.00 0.00 N ATOM 93 NH2 ARG A 7 -1.709 -6.391 22.305 1.00 0.00 N ATOM 0 H ARG A 7 -4.662 -8.575 15.234 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.017 -7.574 17.597 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.287 -8.629 17.674 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.320 -6.928 18.094 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.309 -8.801 19.378 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.653 -8.783 19.951 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.180 -6.192 19.626 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.419 -7.185 21.051 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.172 -5.472 20.517 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.016 -8.604 21.926 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.639 -8.603 23.033 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.410 -5.486 21.942 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.172 -6.848 23.042 1.00 0.00 H new ATOM 107 N ALA A 8 -5.437 -6.162 15.115 1.00 0.00 N ATOM 108 CA ALA A 8 -5.410 -4.914 14.336 1.00 0.00 C ATOM 109 C ALA A 8 -4.163 -4.748 13.473 1.00 0.00 C ATOM 110 O ALA A 8 -3.224 -5.542 13.532 1.00 0.00 O ATOM 111 CB ALA A 8 -5.586 -3.706 15.239 1.00 0.00 C ATOM 0 H ALA A 8 -5.882 -6.942 14.631 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.252 -4.983 13.648 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.562 -2.796 14.639 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.543 -3.775 15.756 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.779 -3.678 15.971 1.00 0.00 H new ATOM 117 N THR A 9 -4.205 -3.704 12.642 1.00 0.00 N ATOM 118 CA THR A 9 -3.134 -3.381 11.702 1.00 0.00 C ATOM 119 C THR A 9 -2.518 -2.006 11.996 1.00 0.00 C ATOM 120 O THR A 9 -3.227 -1.068 12.347 1.00 0.00 O ATOM 121 CB THR A 9 -3.726 -3.382 10.294 1.00 0.00 C ATOM 122 OG1 THR A 9 -4.916 -4.149 10.248 1.00 0.00 O ATOM 123 CG2 THR A 9 -2.795 -3.933 9.251 1.00 0.00 C ATOM 0 H THR A 9 -4.991 -3.055 12.604 1.00 0.00 H new ATOM 0 HA THR A 9 -2.342 -4.123 11.798 1.00 0.00 H new ATOM 0 HB THR A 9 -3.919 -2.333 10.068 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.279 -4.135 9.338 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.282 -3.903 8.276 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.886 -3.333 9.221 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.541 -4.964 9.498 1.00 0.00 H new ATOM 131 N THR A 10 -1.196 -1.892 11.846 1.00 0.00 N ATOM 132 CA THR A 10 -0.493 -0.637 12.086 1.00 0.00 C ATOM 133 C THR A 10 -0.869 0.386 11.042 1.00 0.00 C ATOM 134 O THR A 10 -1.210 0.037 9.912 1.00 0.00 O ATOM 135 CB THR A 10 1.022 -0.863 12.077 1.00 0.00 C ATOM 136 OG1 THR A 10 1.333 -2.184 11.668 1.00 0.00 O ATOM 137 CG2 THR A 10 1.667 -0.639 13.427 1.00 0.00 C ATOM 0 H THR A 10 -0.591 -2.661 11.558 1.00 0.00 H new ATOM 0 HA THR A 10 -0.786 -0.261 13.066 1.00 0.00 H new ATOM 0 HB THR A 10 1.418 -0.130 11.374 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.305 -2.306 11.668 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.740 -0.815 13.351 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.490 0.387 13.749 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.237 -1.327 14.155 1.00 0.00 H new ATOM 145 N ALA A 11 -0.796 1.656 11.422 1.00 0.00 N ATOM 146 CA ALA A 11 -1.118 2.734 10.509 1.00 0.00 C ATOM 147 C ALA A 11 -0.446 2.458 9.180 1.00 0.00 C ATOM 148 O ALA A 11 -1.044 2.594 8.113 1.00 0.00 O ATOM 149 CB ALA A 11 -0.661 4.066 11.085 1.00 0.00 C ATOM 0 H ALA A 11 -0.517 1.959 12.355 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.197 2.791 10.362 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.909 4.868 10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.163 4.243 12.036 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.417 4.043 11.243 1.00 0.00 H new ATOM 155 N PHE A 12 0.817 2.073 9.273 1.00 0.00 N ATOM 156 CA PHE A 12 1.640 1.765 8.110 1.00 0.00 C ATOM 157 C PHE A 12 1.163 0.511 7.392 1.00 0.00 C ATOM 158 O PHE A 12 1.331 0.365 6.184 1.00 0.00 O ATOM 159 CB PHE A 12 3.073 1.539 8.583 1.00 0.00 C ATOM 160 CG PHE A 12 4.110 1.553 7.491 1.00 0.00 C ATOM 161 CD1 PHE A 12 3.869 2.176 6.274 1.00 0.00 C ATOM 162 CD2 PHE A 12 5.333 0.934 7.688 1.00 0.00 C ATOM 163 CE1 PHE A 12 4.830 2.176 5.282 1.00 0.00 C ATOM 164 CE2 PHE A 12 6.296 0.933 6.699 1.00 0.00 C ATOM 165 CZ PHE A 12 6.044 1.555 5.494 1.00 0.00 C ATOM 0 H PHE A 12 1.305 1.964 10.162 1.00 0.00 H new ATOM 0 HA PHE A 12 1.573 2.600 7.412 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.325 2.308 9.313 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.123 0.580 9.099 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.922 2.665 6.101 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.536 0.445 8.629 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.631 2.663 4.339 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.245 0.446 6.868 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.795 1.556 4.718 1.00 0.00 H new ATOM 175 N MET A 13 0.613 -0.411 8.157 1.00 0.00 N ATOM 176 CA MET A 13 0.161 -1.665 7.608 1.00 0.00 C ATOM 177 C MET A 13 -1.200 -1.503 6.976 1.00 0.00 C ATOM 178 O MET A 13 -1.367 -1.727 5.778 1.00 0.00 O ATOM 179 CB MET A 13 0.124 -2.738 8.694 1.00 0.00 C ATOM 180 CG MET A 13 1.459 -3.435 8.905 1.00 0.00 C ATOM 181 SD MET A 13 1.542 -5.045 8.095 1.00 0.00 S ATOM 182 CE MET A 13 0.539 -4.749 6.641 1.00 0.00 C ATOM 0 H MET A 13 0.470 -0.311 9.162 1.00 0.00 H new ATOM 0 HA MET A 13 0.863 -1.980 6.836 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.191 -2.283 9.633 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.628 -3.482 8.432 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.259 -2.800 8.525 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.633 -3.561 9.974 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.693 -5.554 5.923 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.513 -4.713 6.926 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.825 -3.800 6.189 1.00 0.00 H new ATOM 192 N LEU A 14 -2.185 -1.144 7.785 1.00 0.00 N ATOM 193 CA LEU A 14 -3.534 -0.995 7.290 1.00 0.00 C ATOM 194 C LEU A 14 -3.585 -0.131 6.038 1.00 0.00 C ATOM 195 O LEU A 14 -4.419 -0.355 5.160 1.00 0.00 O ATOM 196 CB LEU A 14 -4.469 -0.522 8.433 1.00 0.00 C ATOM 197 CG LEU A 14 -4.981 0.940 8.498 1.00 0.00 C ATOM 198 CD1 LEU A 14 -4.350 1.651 9.669 1.00 0.00 C ATOM 199 CD2 LEU A 14 -4.753 1.757 7.244 1.00 0.00 C ATOM 0 H LEU A 14 -2.071 -0.953 8.780 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.909 -1.966 6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.348 -1.166 8.413 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.950 -0.720 9.371 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.062 0.858 8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.713 2.678 9.710 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.614 1.136 10.593 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.266 1.654 9.552 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.145 2.763 7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.685 1.811 7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.264 1.286 6.405 1.00 0.00 H new ATOM 211 N TRP A 15 -2.685 0.845 5.941 1.00 0.00 N ATOM 212 CA TRP A 15 -2.651 1.710 4.772 1.00 0.00 C ATOM 213 C TRP A 15 -1.880 1.029 3.672 1.00 0.00 C ATOM 214 O TRP A 15 -2.304 1.014 2.519 1.00 0.00 O ATOM 215 CB TRP A 15 -2.017 3.069 5.086 1.00 0.00 C ATOM 216 CG TRP A 15 -1.222 3.631 3.938 1.00 0.00 C ATOM 217 CD1 TRP A 15 -1.634 4.555 3.021 1.00 0.00 C ATOM 218 CD2 TRP A 15 0.120 3.286 3.582 1.00 0.00 C ATOM 219 NE1 TRP A 15 -0.623 4.813 2.122 1.00 0.00 N ATOM 220 CE2 TRP A 15 0.464 4.039 2.443 1.00 0.00 C ATOM 221 CE3 TRP A 15 1.067 2.414 4.116 1.00 0.00 C ATOM 222 CZ2 TRP A 15 1.723 3.930 1.842 1.00 0.00 C ATOM 223 CZ3 TRP A 15 2.298 2.320 3.506 1.00 0.00 C ATOM 224 CH2 TRP A 15 2.603 3.069 2.393 1.00 0.00 C ATOM 0 H TRP A 15 -1.980 1.052 6.649 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.678 1.892 4.455 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.802 3.775 5.356 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.367 2.967 5.955 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.610 5.016 3.003 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.674 5.472 1.345 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.840 1.823 4.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.980 4.513 0.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.039 1.645 3.909 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.580 2.964 1.945 1.00 0.00 H new ATOM 235 N LEU A 16 -0.757 0.431 4.041 1.00 0.00 N ATOM 236 CA LEU A 16 0.039 -0.276 3.068 1.00 0.00 C ATOM 237 C LEU A 16 -0.750 -1.440 2.539 1.00 0.00 C ATOM 238 O LEU A 16 -0.411 -2.000 1.530 1.00 0.00 O ATOM 239 CB LEU A 16 1.343 -0.810 3.638 1.00 0.00 C ATOM 240 CG LEU A 16 2.153 -1.615 2.620 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.665 -0.697 1.531 1.00 0.00 C ATOM 242 CD2 LEU A 16 3.304 -2.344 3.293 1.00 0.00 C ATOM 0 H LEU A 16 -0.387 0.424 4.992 1.00 0.00 H new ATOM 0 HA LEU A 16 0.286 0.439 2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.946 0.025 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.126 -1.439 4.501 1.00 0.00 H new ATOM 0 HG LEU A 16 1.502 -2.366 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.241 -1.275 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.822 -0.224 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.301 0.071 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.863 -2.908 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.964 -1.620 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.911 -3.028 4.046 1.00 0.00 H new ATOM 254 N ASN A 17 -1.801 -1.800 3.233 1.00 0.00 N ATOM 255 CA ASN A 17 -2.639 -2.902 2.841 1.00 0.00 C ATOM 256 C ASN A 17 -3.496 -2.510 1.642 1.00 0.00 C ATOM 257 O ASN A 17 -3.458 -3.127 0.546 1.00 0.00 O ATOM 258 CB ASN A 17 -3.545 -3.219 4.044 1.00 0.00 C ATOM 259 CG ASN A 17 -3.571 -4.683 4.416 1.00 0.00 C ATOM 260 OD1 ASN A 17 -3.278 -5.556 3.599 1.00 0.00 O ATOM 261 ND2 ASN A 17 -3.926 -4.952 5.667 1.00 0.00 N ATOM 0 H ASN A 17 -2.099 -1.334 4.090 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.038 -3.766 2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.207 -2.641 4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.560 -2.892 3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.965 -5.919 5.989 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.160 -4.192 6.306 1.00 0.00 H new ATOM 268 N ASP A 18 -4.181 -1.400 1.845 1.00 0.00 N ATOM 269 CA ASP A 18 -5.025 -0.824 0.835 1.00 0.00 C ATOM 270 C ASP A 18 -4.198 -0.172 -0.240 1.00 0.00 C ATOM 271 O ASP A 18 -4.647 -0.029 -1.376 1.00 0.00 O ATOM 272 CB ASP A 18 -5.986 0.193 1.453 1.00 0.00 C ATOM 273 CG ASP A 18 -7.399 0.051 0.921 1.00 0.00 C ATOM 274 OD1 ASP A 18 -8.115 -0.866 1.376 1.00 0.00 O ATOM 275 OD2 ASP A 18 -7.789 0.857 0.051 1.00 0.00 O ATOM 0 H ASP A 18 -4.162 -0.877 2.720 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.610 -1.625 0.384 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.994 0.069 2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.624 1.201 1.250 1.00 0.00 H new ATOM 280 N THR A 19 -2.983 0.229 0.107 1.00 0.00 N ATOM 281 CA THR A 19 -2.101 0.862 -0.834 1.00 0.00 C ATOM 282 C THR A 19 -1.045 -0.111 -1.310 1.00 0.00 C ATOM 283 O THR A 19 -0.480 0.081 -2.370 1.00 0.00 O ATOM 284 CB THR A 19 -1.461 2.068 -0.172 1.00 0.00 C ATOM 285 OG1 THR A 19 -1.950 3.274 -0.729 1.00 0.00 O ATOM 286 CG2 THR A 19 0.049 2.100 -0.250 1.00 0.00 C ATOM 0 H THR A 19 -2.593 0.121 1.043 1.00 0.00 H new ATOM 0 HA THR A 19 -2.669 1.186 -1.706 1.00 0.00 H new ATOM 0 HB THR A 19 -1.737 1.975 0.878 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.524 4.036 -0.284 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.420 2.996 0.248 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.457 1.216 0.240 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.359 2.111 -1.295 1.00 0.00 H new ATOM 294 N ARG A 20 -0.786 -1.169 -0.537 1.00 0.00 N ATOM 295 CA ARG A 20 0.202 -2.160 -0.950 1.00 0.00 C ATOM 296 C ARG A 20 -0.184 -2.618 -2.312 1.00 0.00 C ATOM 297 O ARG A 20 0.647 -2.822 -3.197 1.00 0.00 O ATOM 298 CB ARG A 20 0.248 -3.363 -0.002 1.00 0.00 C ATOM 299 CG ARG A 20 0.352 -4.692 -0.713 1.00 0.00 C ATOM 300 CD ARG A 20 0.623 -5.815 0.264 1.00 0.00 C ATOM 301 NE ARG A 20 2.001 -5.808 0.748 1.00 0.00 N ATOM 302 CZ ARG A 20 3.003 -6.451 0.152 1.00 0.00 C ATOM 303 NH1 ARG A 20 2.794 -7.139 -0.964 1.00 0.00 N ATOM 304 NH2 ARG A 20 4.222 -6.402 0.673 1.00 0.00 N ATOM 0 H ARG A 20 -1.237 -1.357 0.358 1.00 0.00 H new ATOM 0 HA ARG A 20 1.194 -1.708 -0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.099 -3.253 0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.649 -3.361 0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.573 -4.892 -1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.151 -4.650 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.058 -5.729 1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.414 -6.771 -0.217 1.00 0.00 H new ATOM 0 HE ARG A 20 2.208 -5.278 1.594 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.860 -7.178 -1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.568 -7.629 -1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.390 -5.873 1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.991 -6.894 0.218 1.00 0.00 H new ATOM 318 N GLU A 21 -1.481 -2.731 -2.473 1.00 0.00 N ATOM 319 CA GLU A 21 -2.016 -3.121 -3.770 1.00 0.00 C ATOM 320 C GLU A 21 -1.702 -2.012 -4.778 1.00 0.00 C ATOM 321 O GLU A 21 -1.408 -2.260 -5.951 1.00 0.00 O ATOM 322 CB GLU A 21 -3.526 -3.364 -3.689 1.00 0.00 C ATOM 323 CG GLU A 21 -4.336 -2.103 -3.438 1.00 0.00 C ATOM 324 CD GLU A 21 -5.689 -2.392 -2.820 1.00 0.00 C ATOM 325 OE1 GLU A 21 -5.764 -3.274 -1.938 1.00 0.00 O ATOM 326 OE2 GLU A 21 -6.676 -1.737 -3.218 1.00 0.00 O ATOM 0 H GLU A 21 -2.177 -2.565 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.553 -4.055 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.862 -3.821 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.728 -4.079 -2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.774 -1.440 -2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.477 -1.573 -4.380 1.00 0.00 H new ATOM 333 N SER A 22 -1.805 -0.783 -4.286 1.00 0.00 N ATOM 334 CA SER A 22 -1.582 0.408 -5.097 1.00 0.00 C ATOM 335 C SER A 22 -0.111 0.583 -5.463 1.00 0.00 C ATOM 336 O SER A 22 0.229 1.281 -6.418 1.00 0.00 O ATOM 337 CB SER A 22 -2.085 1.651 -4.361 1.00 0.00 C ATOM 338 OG SER A 22 -3.418 1.475 -3.914 1.00 0.00 O ATOM 0 H SER A 22 -2.045 -0.584 -3.315 1.00 0.00 H new ATOM 0 HA SER A 22 -2.142 0.280 -6.023 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.437 1.860 -3.510 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.031 2.516 -5.022 1.00 0.00 H new ATOM 0 HG SER A 22 -3.715 2.283 -3.445 1.00 0.00 H new ATOM 344 N ILE A 23 0.748 -0.042 -4.681 1.00 0.00 N ATOM 345 CA ILE A 23 2.179 0.042 -4.882 1.00 0.00 C ATOM 346 C ILE A 23 2.631 -0.875 -5.996 1.00 0.00 C ATOM 347 O ILE A 23 3.418 -0.481 -6.856 1.00 0.00 O ATOM 348 CB ILE A 23 2.941 -0.335 -3.610 1.00 0.00 C ATOM 349 CG1 ILE A 23 2.195 0.175 -2.373 1.00 0.00 C ATOM 350 CG2 ILE A 23 4.361 0.204 -3.680 1.00 0.00 C ATOM 351 CD1 ILE A 23 3.085 0.665 -1.247 1.00 0.00 C ATOM 0 H ILE A 23 0.472 -0.622 -3.889 1.00 0.00 H new ATOM 0 HA ILE A 23 2.397 1.077 -5.147 1.00 0.00 H new ATOM 0 HB ILE A 23 3.000 -1.420 -3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.535 0.988 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.561 -0.626 -1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.898 -0.068 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.870 -0.223 -4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.334 1.290 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.467 1.006 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.728 -0.149 -0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.701 1.491 -1.603 1.00 0.00 H new ATOM 363 N LYS A 24 2.133 -2.104 -5.982 1.00 0.00 N ATOM 364 CA LYS A 24 2.509 -3.053 -7.010 1.00 0.00 C ATOM 365 C LYS A 24 1.980 -2.589 -8.361 1.00 0.00 C ATOM 366 O LYS A 24 2.591 -2.845 -9.397 1.00 0.00 O ATOM 367 CB LYS A 24 2.018 -4.458 -6.678 1.00 0.00 C ATOM 368 CG LYS A 24 3.098 -5.517 -6.831 1.00 0.00 C ATOM 369 CD LYS A 24 3.834 -5.765 -5.523 1.00 0.00 C ATOM 370 CE LYS A 24 3.521 -7.147 -4.968 1.00 0.00 C ATOM 371 NZ LYS A 24 2.225 -7.173 -4.233 1.00 0.00 N ATOM 0 H LYS A 24 1.480 -2.459 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 24 3.597 -3.098 -7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.644 -4.474 -5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.179 -4.706 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.648 -6.448 -7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.809 -5.203 -7.595 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.908 -5.669 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.552 -5.005 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.489 -7.867 -5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.323 -7.459 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.209 -7.987 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.118 -6.295 -3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.442 -7.255 -4.913 1.00 0.00 H new ATOM 385 N ARG A 25 0.862 -1.865 -8.342 1.00 0.00 N ATOM 386 CA ARG A 25 0.296 -1.326 -9.573 1.00 0.00 C ATOM 387 C ARG A 25 1.190 -0.186 -10.050 1.00 0.00 C ATOM 388 O ARG A 25 1.496 -0.057 -11.235 1.00 0.00 O ATOM 389 CB ARG A 25 -1.130 -0.823 -9.340 1.00 0.00 C ATOM 390 CG ARG A 25 -2.195 -1.881 -9.579 1.00 0.00 C ATOM 391 CD ARG A 25 -3.346 -1.746 -8.595 1.00 0.00 C ATOM 392 NE ARG A 25 -4.088 -0.503 -8.787 1.00 0.00 N ATOM 393 CZ ARG A 25 -5.314 -0.290 -8.314 1.00 0.00 C ATOM 394 NH1 ARG A 25 -5.938 -1.234 -7.620 1.00 0.00 N ATOM 395 NH2 ARG A 25 -5.918 0.869 -8.534 1.00 0.00 N ATOM 0 H ARG A 25 0.337 -1.641 -7.497 1.00 0.00 H new ATOM 0 HA ARG A 25 0.249 -2.109 -10.330 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.215 -0.459 -8.316 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.319 0.026 -9.997 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.574 -1.794 -10.597 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.751 -2.872 -9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.022 -2.593 -8.710 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.959 -1.783 -7.577 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.640 0.246 -9.315 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.478 -2.128 -7.447 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.877 -1.065 -7.260 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.443 1.598 -9.066 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.857 1.031 -8.171 1.00 0.00 H new ATOM 409 N GLU A 26 1.624 0.615 -9.082 1.00 0.00 N ATOM 410 CA GLU A 26 2.515 1.736 -9.338 1.00 0.00 C ATOM 411 C GLU A 26 3.865 1.210 -9.809 1.00 0.00 C ATOM 412 O GLU A 26 4.677 1.949 -10.366 1.00 0.00 O ATOM 413 CB GLU A 26 2.689 2.584 -8.076 1.00 0.00 C ATOM 414 CG GLU A 26 1.458 3.401 -7.718 1.00 0.00 C ATOM 415 CD GLU A 26 1.570 4.847 -8.160 1.00 0.00 C ATOM 416 OE1 GLU A 26 1.857 5.083 -9.352 1.00 0.00 O ATOM 417 OE2 GLU A 26 1.370 5.743 -7.313 1.00 0.00 O ATOM 0 H GLU A 26 1.367 0.504 -8.101 1.00 0.00 H new ATOM 0 HA GLU A 26 2.080 2.366 -10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.937 1.930 -7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.534 3.258 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.580 2.950 -8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.304 3.365 -6.640 1.00 0.00 H new ATOM 424 N ASN A 27 4.080 -0.087 -9.596 1.00 0.00 N ATOM 425 CA ASN A 27 5.302 -0.743 -10.008 1.00 0.00 C ATOM 426 C ASN A 27 5.051 -2.236 -10.189 1.00 0.00 C ATOM 427 O ASN A 27 5.427 -3.046 -9.343 1.00 0.00 O ATOM 428 CB ASN A 27 6.415 -0.502 -8.988 1.00 0.00 C ATOM 429 CG ASN A 27 6.692 0.973 -8.774 1.00 0.00 C ATOM 430 OD1 ASN A 27 5.925 1.597 -7.888 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 7.587 1.545 -9.396 1.00 0.00 N flip ATOM 0 H ASN A 27 3.411 -0.703 -9.135 1.00 0.00 H new ATOM 0 HA ASN A 27 5.623 -0.322 -10.961 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.139 -0.959 -8.038 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.327 -0.995 -9.325 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.153 1.027 -10.068 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.763 2.537 -9.239 1.00 0.00 H new ATOM 438 N PRO A 28 4.379 -2.616 -11.295 1.00 0.00 N ATOM 439 CA PRO A 28 4.041 -4.017 -11.591 1.00 0.00 C ATOM 440 C PRO A 28 5.266 -4.884 -11.871 1.00 0.00 C ATOM 441 O PRO A 28 5.326 -5.582 -12.883 1.00 0.00 O ATOM 442 CB PRO A 28 3.159 -3.926 -12.846 1.00 0.00 C ATOM 443 CG PRO A 28 2.750 -2.494 -12.940 1.00 0.00 C ATOM 444 CD PRO A 28 3.872 -1.707 -12.332 1.00 0.00 C ATOM 0 HA PRO A 28 3.552 -4.490 -10.739 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.708 -4.237 -13.735 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.290 -4.578 -12.763 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.585 -2.202 -13.977 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.816 -2.319 -12.407 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.639 -1.462 -13.066 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.523 -0.765 -11.909 1.00 0.00 H new ATOM 452 N GLY A 29 6.237 -4.841 -10.968 1.00 0.00 N ATOM 453 CA GLY A 29 7.441 -5.630 -11.134 1.00 0.00 C ATOM 454 C GLY A 29 8.356 -5.568 -9.924 1.00 0.00 C ATOM 455 O GLY A 29 9.507 -5.998 -9.992 1.00 0.00 O ATOM 0 H GLY A 29 6.212 -4.272 -10.122 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.167 -6.668 -11.324 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.983 -5.278 -12.012 1.00 0.00 H new ATOM 459 N ILE A 30 7.852 -5.030 -8.813 1.00 0.00 N ATOM 460 CA ILE A 30 8.642 -4.920 -7.608 1.00 0.00 C ATOM 461 C ILE A 30 8.650 -6.230 -6.836 1.00 0.00 C ATOM 462 O ILE A 30 8.599 -7.313 -7.419 1.00 0.00 O ATOM 463 CB ILE A 30 8.140 -3.771 -6.701 1.00 0.00 C ATOM 464 CG1 ILE A 30 6.805 -4.120 -6.017 1.00 0.00 C ATOM 465 CG2 ILE A 30 8.006 -2.506 -7.513 1.00 0.00 C ATOM 466 CD1 ILE A 30 6.151 -2.942 -5.317 1.00 0.00 C ATOM 0 H ILE A 30 6.902 -4.667 -8.732 1.00 0.00 H new ATOM 0 HA ILE A 30 9.662 -4.690 -7.914 1.00 0.00 H new ATOM 0 HB ILE A 30 8.874 -3.619 -5.910 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.117 -4.515 -6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.976 -4.914 -5.290 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.652 -1.698 -6.872 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.976 -2.238 -7.932 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.293 -2.666 -8.322 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.216 -3.264 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.820 -2.560 -4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.947 -2.155 -6.043 1.00 0.00 H new ATOM 478 N LYS A 31 8.731 -6.114 -5.528 1.00 0.00 N ATOM 479 CA LYS A 31 8.768 -7.241 -4.651 1.00 0.00 C ATOM 480 C LYS A 31 8.086 -6.897 -3.349 1.00 0.00 C ATOM 481 O LYS A 31 8.110 -5.759 -2.890 1.00 0.00 O ATOM 482 CB LYS A 31 10.219 -7.643 -4.416 1.00 0.00 C ATOM 483 CG LYS A 31 10.987 -6.684 -3.519 1.00 0.00 C ATOM 484 CD LYS A 31 12.439 -7.109 -3.357 1.00 0.00 C ATOM 485 CE LYS A 31 12.554 -8.524 -2.809 1.00 0.00 C ATOM 486 NZ LYS A 31 13.090 -9.471 -3.826 1.00 0.00 N ATOM 0 H LYS A 31 8.773 -5.216 -5.047 1.00 0.00 H new ATOM 0 HA LYS A 31 8.239 -8.081 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.243 -8.638 -3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.727 -7.711 -5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.946 -5.680 -3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.509 -6.639 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.945 -7.050 -4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.948 -6.417 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.205 -8.523 -1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.574 -8.865 -2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.153 -10.424 -3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.456 -9.491 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.036 -9.160 -4.125 1.00 0.00 H new ATOM 500 N VAL A 32 7.494 -7.908 -2.772 1.00 0.00 N ATOM 501 CA VAL A 32 6.794 -7.814 -1.505 1.00 0.00 C ATOM 502 C VAL A 32 7.440 -6.801 -0.552 1.00 0.00 C ATOM 503 O VAL A 32 6.757 -6.126 0.218 1.00 0.00 O ATOM 504 CB VAL A 32 6.797 -9.206 -0.843 1.00 0.00 C ATOM 505 CG1 VAL A 32 7.664 -10.174 -1.637 1.00 0.00 C ATOM 506 CG2 VAL A 32 7.280 -9.138 0.591 1.00 0.00 C ATOM 0 H VAL A 32 7.481 -8.845 -3.174 1.00 0.00 H new ATOM 0 HA VAL A 32 5.779 -7.470 -1.704 1.00 0.00 H new ATOM 0 HB VAL A 32 5.769 -9.568 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.654 -11.151 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.273 -10.266 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.687 -9.799 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.269 -10.137 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.296 -8.743 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.623 -8.485 1.166 1.00 0.00 H new ATOM 516 N THR A 33 8.763 -6.746 -0.590 1.00 0.00 N ATOM 517 CA THR A 33 9.531 -5.862 0.296 1.00 0.00 C ATOM 518 C THR A 33 9.676 -4.443 -0.255 1.00 0.00 C ATOM 519 O THR A 33 9.892 -3.494 0.507 1.00 0.00 O ATOM 520 CB THR A 33 10.915 -6.455 0.568 1.00 0.00 C ATOM 521 OG1 THR A 33 11.541 -6.853 -0.639 1.00 0.00 O ATOM 522 CG2 THR A 33 10.881 -7.657 1.488 1.00 0.00 C ATOM 0 H THR A 33 9.335 -7.302 -1.225 1.00 0.00 H new ATOM 0 HA THR A 33 8.967 -5.789 1.226 1.00 0.00 H new ATOM 0 HB THR A 33 11.477 -5.659 1.057 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.479 -7.077 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.895 -8.028 1.639 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.453 -7.368 2.448 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.271 -8.441 1.040 1.00 0.00 H new ATOM 530 N GLU A 34 9.516 -4.280 -1.559 1.00 0.00 N ATOM 531 CA GLU A 34 9.600 -2.957 -2.159 1.00 0.00 C ATOM 532 C GLU A 34 8.341 -2.180 -1.816 1.00 0.00 C ATOM 533 O GLU A 34 8.373 -0.971 -1.632 1.00 0.00 O ATOM 534 CB GLU A 34 9.767 -3.061 -3.678 1.00 0.00 C ATOM 535 CG GLU A 34 9.356 -1.805 -4.438 1.00 0.00 C ATOM 536 CD GLU A 34 10.398 -1.366 -5.448 1.00 0.00 C ATOM 537 OE1 GLU A 34 11.195 -2.221 -5.888 1.00 0.00 O ATOM 538 OE2 GLU A 34 10.416 -0.168 -5.800 1.00 0.00 O ATOM 0 H GLU A 34 9.329 -5.037 -2.216 1.00 0.00 H new ATOM 0 HA GLU A 34 10.471 -2.435 -1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.810 -3.284 -3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.176 -3.902 -4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.412 -1.988 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.181 -0.997 -3.728 1.00 0.00 H new ATOM 545 N ILE A 35 7.232 -2.897 -1.738 1.00 0.00 N ATOM 546 CA ILE A 35 5.957 -2.298 -1.417 1.00 0.00 C ATOM 547 C ILE A 35 6.025 -1.673 -0.041 1.00 0.00 C ATOM 548 O ILE A 35 5.544 -0.561 0.190 1.00 0.00 O ATOM 549 CB ILE A 35 4.839 -3.359 -1.432 1.00 0.00 C ATOM 550 CG1 ILE A 35 4.850 -4.124 -2.753 1.00 0.00 C ATOM 551 CG2 ILE A 35 3.483 -2.720 -1.196 1.00 0.00 C ATOM 552 CD1 ILE A 35 4.544 -5.594 -2.596 1.00 0.00 C ATOM 0 H ILE A 35 7.195 -3.904 -1.895 1.00 0.00 H new ATOM 0 HA ILE A 35 5.734 -1.537 -2.165 1.00 0.00 H new ATOM 0 HB ILE A 35 5.025 -4.063 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.120 -3.678 -3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.828 -4.012 -3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.711 -3.489 -1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.480 -2.221 -0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.283 -1.990 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.568 -6.077 -3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.288 -6.053 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.554 -5.715 -2.156 1.00 0.00 H new ATOM 564 N ALA A 36 6.628 -2.415 0.874 1.00 0.00 N ATOM 565 CA ALA A 36 6.759 -1.971 2.240 1.00 0.00 C ATOM 566 C ALA A 36 7.710 -0.786 2.383 1.00 0.00 C ATOM 567 O ALA A 36 7.599 -0.015 3.336 1.00 0.00 O ATOM 568 CB ALA A 36 7.210 -3.121 3.127 1.00 0.00 C ATOM 0 H ALA A 36 7.034 -3.332 0.687 1.00 0.00 H new ATOM 0 HA ALA A 36 5.775 -1.630 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.305 -2.772 4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.475 -3.924 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.174 -3.492 2.779 1.00 0.00 H new ATOM 574 N LYS A 37 8.658 -0.647 1.460 1.00 0.00 N ATOM 575 CA LYS A 37 9.625 0.445 1.537 1.00 0.00 C ATOM 576 C LYS A 37 9.162 1.674 0.760 1.00 0.00 C ATOM 577 O LYS A 37 9.139 2.790 1.296 1.00 0.00 O ATOM 578 CB LYS A 37 10.983 -0.018 1.008 1.00 0.00 C ATOM 579 CG LYS A 37 11.608 -1.133 1.831 1.00 0.00 C ATOM 580 CD LYS A 37 11.891 -0.683 3.255 1.00 0.00 C ATOM 581 CE LYS A 37 12.870 0.479 3.287 1.00 0.00 C ATOM 582 NZ LYS A 37 13.221 0.872 4.680 1.00 0.00 N ATOM 0 H LYS A 37 8.777 -1.268 0.660 1.00 0.00 H new ATOM 0 HA LYS A 37 9.714 0.728 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.866 -0.359 -0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.665 0.832 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.939 -1.994 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.536 -1.458 1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.959 -0.388 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.296 -1.517 3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.777 0.205 2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.436 1.333 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.891 1.667 4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.360 1.158 5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.658 0.065 5.169 1.00 0.00 H new ATOM 596 N LYS A 38 8.789 1.477 -0.501 1.00 0.00 N ATOM 597 CA LYS A 38 8.334 2.574 -1.335 1.00 0.00 C ATOM 598 C LYS A 38 6.977 3.093 -0.875 1.00 0.00 C ATOM 599 O LYS A 38 6.518 4.140 -1.333 1.00 0.00 O ATOM 600 CB LYS A 38 8.281 2.137 -2.802 1.00 0.00 C ATOM 601 CG LYS A 38 6.894 1.752 -3.296 1.00 0.00 C ATOM 602 CD LYS A 38 6.118 2.968 -3.781 1.00 0.00 C ATOM 603 CE LYS A 38 5.867 2.910 -5.279 1.00 0.00 C ATOM 604 NZ LYS A 38 5.608 4.260 -5.852 1.00 0.00 N ATOM 0 H LYS A 38 8.794 0.568 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 38 9.048 3.392 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.662 2.947 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.951 1.288 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.983 1.029 -4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.343 1.264 -2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.166 3.027 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.673 3.875 -3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.730 2.465 -5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.014 2.261 -5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.442 4.177 -6.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.770 4.675 -5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.432 4.872 -5.684 1.00 0.00 H new ATOM 618 N GLY A 39 6.351 2.376 0.051 1.00 0.00 N ATOM 619 CA GLY A 39 5.085 2.816 0.561 1.00 0.00 C ATOM 620 C GLY A 39 5.274 3.767 1.724 1.00 0.00 C ATOM 621 O GLY A 39 4.632 4.812 1.808 1.00 0.00 O ATOM 0 H GLY A 39 6.702 1.505 0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.521 3.310 -0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.498 1.955 0.881 1.00 0.00 H new ATOM 625 N GLY A 40 6.171 3.400 2.614 1.00 0.00 N ATOM 626 CA GLY A 40 6.463 4.225 3.772 1.00 0.00 C ATOM 627 C GLY A 40 6.881 5.621 3.379 1.00 0.00 C ATOM 628 O GLY A 40 6.468 6.596 4.002 1.00 0.00 O ATOM 0 H GLY A 40 6.712 2.537 2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.582 4.277 4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.256 3.760 4.358 1.00 0.00 H new ATOM 632 N GLU A 41 7.693 5.723 2.334 1.00 0.00 N ATOM 633 CA GLU A 41 8.144 7.025 1.858 1.00 0.00 C ATOM 634 C GLU A 41 6.946 7.912 1.532 1.00 0.00 C ATOM 635 O GLU A 41 6.902 9.083 1.908 1.00 0.00 O ATOM 636 CB GLU A 41 9.015 6.860 0.615 1.00 0.00 C ATOM 637 CG GLU A 41 8.331 6.078 -0.493 1.00 0.00 C ATOM 638 CD GLU A 41 9.243 5.818 -1.675 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.382 5.354 -1.455 1.00 0.00 O ATOM 640 OE2 GLU A 41 8.820 6.079 -2.821 1.00 0.00 O ATOM 0 H GLU A 41 8.050 4.928 1.804 1.00 0.00 H new ATOM 0 HA GLU A 41 8.732 7.496 2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.291 7.845 0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.940 6.353 0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.978 5.126 -0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.453 6.628 -0.831 1.00 0.00 H new ATOM 647 N MET A 42 5.978 7.337 0.825 1.00 0.00 N ATOM 648 CA MET A 42 4.773 8.053 0.432 1.00 0.00 C ATOM 649 C MET A 42 3.822 8.202 1.605 1.00 0.00 C ATOM 650 O MET A 42 3.159 9.228 1.764 1.00 0.00 O ATOM 651 CB MET A 42 4.062 7.299 -0.688 1.00 0.00 C ATOM 652 CG MET A 42 3.244 6.116 -0.194 1.00 0.00 C ATOM 653 SD MET A 42 2.113 5.494 -1.447 1.00 0.00 S ATOM 654 CE MET A 42 2.870 3.913 -1.784 1.00 0.00 C ATOM 0 H MET A 42 6.008 6.367 0.511 1.00 0.00 H new ATOM 0 HA MET A 42 5.069 9.044 0.087 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.406 7.988 -1.221 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.803 6.945 -1.405 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.917 5.316 0.114 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.677 6.413 0.688 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.416 3.474 -2.673 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.938 4.049 -1.952 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.718 3.248 -0.934 1.00 0.00 H new ATOM 664 N TRP A 43 3.754 7.157 2.419 1.00 0.00 N ATOM 665 CA TRP A 43 2.888 7.140 3.569 1.00 0.00 C ATOM 666 C TRP A 43 3.249 8.269 4.533 1.00 0.00 C ATOM 667 O TRP A 43 2.381 9.033 4.955 1.00 0.00 O ATOM 668 CB TRP A 43 2.991 5.761 4.210 1.00 0.00 C ATOM 669 CG TRP A 43 2.692 5.719 5.657 1.00 0.00 C ATOM 670 CD1 TRP A 43 3.590 5.776 6.657 1.00 0.00 C ATOM 671 CD2 TRP A 43 1.411 5.582 6.253 1.00 0.00 C ATOM 672 NE1 TRP A 43 2.947 5.681 7.873 1.00 0.00 N ATOM 673 CE2 TRP A 43 1.596 5.560 7.642 1.00 0.00 C ATOM 674 CE3 TRP A 43 0.127 5.478 5.737 1.00 0.00 C ATOM 675 CZ2 TRP A 43 0.526 5.431 8.526 1.00 0.00 C ATOM 676 CZ3 TRP A 43 -0.935 5.351 6.609 1.00 0.00 C ATOM 677 CH2 TRP A 43 -0.731 5.327 7.992 1.00 0.00 C ATOM 0 H TRP A 43 4.300 6.304 2.293 1.00 0.00 H new ATOM 0 HA TRP A 43 1.852 7.316 3.280 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.309 5.086 3.694 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.999 5.378 4.052 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.657 5.881 6.527 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.397 5.698 8.788 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.039 5.496 4.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.683 5.414 9.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.938 5.269 6.218 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.580 5.225 8.651 1.00 0.00 H new ATOM 688 N LYS A 44 4.531 8.374 4.875 1.00 0.00 N ATOM 689 CA LYS A 44 5.011 9.416 5.783 1.00 0.00 C ATOM 690 C LYS A 44 4.327 10.757 5.506 1.00 0.00 C ATOM 691 O LYS A 44 3.843 11.419 6.424 1.00 0.00 O ATOM 692 CB LYS A 44 6.526 9.569 5.643 1.00 0.00 C ATOM 693 CG LYS A 44 7.319 8.507 6.387 1.00 0.00 C ATOM 694 CD LYS A 44 6.941 8.456 7.858 1.00 0.00 C ATOM 695 CE LYS A 44 8.164 8.272 8.743 1.00 0.00 C ATOM 696 NZ LYS A 44 7.802 7.756 10.092 1.00 0.00 N ATOM 0 H LYS A 44 5.260 7.747 4.536 1.00 0.00 H new ATOM 0 HA LYS A 44 4.765 9.115 6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.790 9.533 4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.818 10.552 6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.141 7.533 5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.385 8.714 6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.426 9.376 8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.242 7.637 8.027 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.858 7.581 8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.684 9.225 8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.664 7.645 10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.160 8.428 10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.329 6.835 9.996 1.00 0.00 H new ATOM 710 N GLU A 45 4.286 11.145 4.234 1.00 0.00 N ATOM 711 CA GLU A 45 3.655 12.400 3.834 1.00 0.00 C ATOM 712 C GLU A 45 2.302 12.132 3.180 1.00 0.00 C ATOM 713 O GLU A 45 2.026 12.601 2.075 1.00 0.00 O ATOM 714 CB GLU A 45 4.562 13.168 2.871 1.00 0.00 C ATOM 715 CG GLU A 45 5.864 13.635 3.502 1.00 0.00 C ATOM 716 CD GLU A 45 5.640 14.544 4.695 1.00 0.00 C ATOM 717 OE1 GLU A 45 5.424 15.756 4.485 1.00 0.00 O ATOM 718 OE2 GLU A 45 5.679 14.044 5.838 1.00 0.00 O ATOM 0 H GLU A 45 4.682 10.608 3.462 1.00 0.00 H new ATOM 0 HA GLU A 45 3.497 13.006 4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.790 12.532 2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.022 14.034 2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.444 12.767 3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.457 14.162 2.755 1.00 0.00 H new ATOM 725 N LEU A 46 1.471 11.360 3.869 1.00 0.00 N ATOM 726 CA LEU A 46 0.148 11.001 3.371 1.00 0.00 C ATOM 727 C LEU A 46 -0.946 11.779 4.115 1.00 0.00 C ATOM 728 O LEU A 46 -0.951 11.831 5.345 1.00 0.00 O ATOM 729 CB LEU A 46 -0.036 9.484 3.537 1.00 0.00 C ATOM 730 CG LEU A 46 -1.448 8.941 3.329 1.00 0.00 C ATOM 731 CD1 LEU A 46 -1.696 8.650 1.858 1.00 0.00 C ATOM 732 CD2 LEU A 46 -1.667 7.689 4.170 1.00 0.00 C ATOM 0 H LEU A 46 1.693 10.967 4.784 1.00 0.00 H new ATOM 0 HA LEU A 46 0.064 11.265 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.629 8.981 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.291 9.209 4.540 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.161 9.700 3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.707 8.264 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.582 9.568 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.977 7.909 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.678 7.315 4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.947 6.924 3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.532 7.931 5.224 1.00 0.00 H new ATOM 744 N LYS A 47 -1.878 12.375 3.362 1.00 0.00 N ATOM 745 CA LYS A 47 -2.984 13.138 3.959 1.00 0.00 C ATOM 746 C LYS A 47 -4.169 12.235 4.242 1.00 0.00 C ATOM 747 O LYS A 47 -5.164 12.656 4.831 1.00 0.00 O ATOM 748 CB LYS A 47 -3.399 14.295 3.048 1.00 0.00 C ATOM 749 CG LYS A 47 -2.666 15.593 3.341 1.00 0.00 C ATOM 750 CD LYS A 47 -2.690 16.529 2.144 1.00 0.00 C ATOM 751 CE LYS A 47 -2.829 17.981 2.574 1.00 0.00 C ATOM 752 NZ LYS A 47 -1.550 18.527 3.106 1.00 0.00 N ATOM 0 H LYS A 47 -1.890 12.345 2.343 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.635 13.554 4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.219 14.012 2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.471 14.462 3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.125 16.085 4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.633 15.375 3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.774 16.406 1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.519 16.262 1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.155 18.582 1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.603 18.061 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.687 19.519 3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.252 17.970 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.817 18.474 2.370 1.00 0.00 H new ATOM 766 N ASP A 48 -4.012 10.975 3.894 1.00 0.00 N ATOM 767 CA ASP A 48 -5.009 9.973 4.179 1.00 0.00 C ATOM 768 C ASP A 48 -4.535 9.201 5.405 1.00 0.00 C ATOM 769 O ASP A 48 -5.225 8.322 5.916 1.00 0.00 O ATOM 770 CB ASP A 48 -5.194 9.031 2.988 1.00 0.00 C ATOM 771 CG ASP A 48 -6.375 9.420 2.121 1.00 0.00 C ATOM 772 OD1 ASP A 48 -6.410 10.576 1.649 1.00 0.00 O ATOM 773 OD2 ASP A 48 -7.265 8.569 1.913 1.00 0.00 O ATOM 0 H ASP A 48 -3.189 10.620 3.406 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.975 10.441 4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.287 9.032 2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.334 8.013 3.352 1.00 0.00 H new ATOM 778 N LYS A 49 -3.328 9.559 5.866 1.00 0.00 N ATOM 779 CA LYS A 49 -2.713 8.936 7.023 1.00 0.00 C ATOM 780 C LYS A 49 -3.268 9.511 8.306 1.00 0.00 C ATOM 781 O LYS A 49 -3.331 8.828 9.315 1.00 0.00 O ATOM 782 CB LYS A 49 -1.205 9.140 7.001 1.00 0.00 C ATOM 783 CG LYS A 49 -0.464 8.192 7.921 1.00 0.00 C ATOM 784 CD LYS A 49 0.518 8.937 8.807 1.00 0.00 C ATOM 785 CE LYS A 49 1.838 9.174 8.092 1.00 0.00 C ATOM 786 NZ LYS A 49 2.967 9.337 9.049 1.00 0.00 N ATOM 0 H LYS A 49 -2.759 10.290 5.440 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.939 7.870 6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.841 9.007 5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.979 10.167 7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.179 7.651 8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.069 7.449 7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.088 9.893 9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.693 8.366 9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.045 8.337 7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.759 10.065 7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.757 9.820 8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.653 9.903 9.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.281 8.402 9.378 1.00 0.00 H new ATOM 800 N SER A 50 -3.724 10.751 8.254 1.00 0.00 N ATOM 801 CA SER A 50 -4.327 11.358 9.423 1.00 0.00 C ATOM 802 C SER A 50 -5.675 10.694 9.637 1.00 0.00 C ATOM 803 O SER A 50 -6.170 10.574 10.758 1.00 0.00 O ATOM 804 CB SER A 50 -4.495 12.867 9.232 1.00 0.00 C ATOM 805 OG SER A 50 -4.742 13.514 10.468 1.00 0.00 O ATOM 0 H SER A 50 -3.689 11.348 7.427 1.00 0.00 H new ATOM 0 HA SER A 50 -3.687 11.215 10.293 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.596 13.281 8.775 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.320 13.060 8.546 1.00 0.00 H new ATOM 0 HG SER A 50 -4.844 14.477 10.318 1.00 0.00 H new ATOM 811 N LYS A 51 -6.256 10.268 8.519 1.00 0.00 N ATOM 812 CA LYS A 51 -7.561 9.605 8.530 1.00 0.00 C ATOM 813 C LYS A 51 -7.435 8.077 8.487 1.00 0.00 C ATOM 814 O LYS A 51 -8.411 7.368 8.730 1.00 0.00 O ATOM 815 CB LYS A 51 -8.430 10.092 7.365 1.00 0.00 C ATOM 816 CG LYS A 51 -7.662 10.332 6.077 1.00 0.00 C ATOM 817 CD LYS A 51 -8.591 10.736 4.943 1.00 0.00 C ATOM 818 CE LYS A 51 -8.618 12.244 4.755 1.00 0.00 C ATOM 819 NZ LYS A 51 -7.770 12.677 3.610 1.00 0.00 N ATOM 0 H LYS A 51 -5.845 10.369 7.591 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.042 9.872 9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.212 9.357 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.926 11.018 7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.918 11.113 6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.120 9.427 5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.267 10.259 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.599 10.376 5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.645 12.571 4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.272 12.730 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.075 13.618 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.775 12.720 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.867 11.996 2.830 1.00 0.00 H new ATOM 833 N TRP A 52 -6.240 7.570 8.183 1.00 0.00 N ATOM 834 CA TRP A 52 -6.022 6.122 8.122 1.00 0.00 C ATOM 835 C TRP A 52 -5.218 5.639 9.324 1.00 0.00 C ATOM 836 O TRP A 52 -5.478 4.565 9.883 1.00 0.00 O ATOM 837 CB TRP A 52 -5.302 5.739 6.830 1.00 0.00 C ATOM 838 CG TRP A 52 -6.211 5.709 5.639 1.00 0.00 C ATOM 839 CD1 TRP A 52 -7.197 6.604 5.335 1.00 0.00 C ATOM 840 CD2 TRP A 52 -6.226 4.728 4.599 1.00 0.00 C ATOM 841 NE1 TRP A 52 -7.818 6.241 4.164 1.00 0.00 N ATOM 842 CE2 TRP A 52 -7.239 5.092 3.694 1.00 0.00 C ATOM 843 CE3 TRP A 52 -5.476 3.580 4.346 1.00 0.00 C ATOM 844 CZ2 TRP A 52 -7.521 4.345 2.553 1.00 0.00 C ATOM 845 CZ3 TRP A 52 -5.755 2.838 3.215 1.00 0.00 C ATOM 846 CH2 TRP A 52 -6.771 3.224 2.329 1.00 0.00 C ATOM 0 H TRP A 52 -5.415 8.133 7.977 1.00 0.00 H new ATOM 0 HA TRP A 52 -6.999 5.639 8.140 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.495 6.448 6.646 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.842 4.758 6.954 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -7.451 7.470 5.928 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -8.585 6.745 3.718 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.691 3.276 5.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.304 4.640 1.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -5.181 1.946 3.010 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -6.965 2.624 1.452 1.00 0.00 H new ATOM 857 N GLU A 53 -4.257 6.453 9.744 1.00 0.00 N ATOM 858 CA GLU A 53 -3.439 6.121 10.900 1.00 0.00 C ATOM 859 C GLU A 53 -4.327 5.819 12.099 1.00 0.00 C ATOM 860 O GLU A 53 -3.916 5.136 13.039 1.00 0.00 O ATOM 861 CB GLU A 53 -2.451 7.256 11.214 1.00 0.00 C ATOM 862 CG GLU A 53 -2.984 8.375 12.114 1.00 0.00 C ATOM 863 CD GLU A 53 -4.422 8.785 11.841 1.00 0.00 C ATOM 864 OE1 GLU A 53 -4.978 8.386 10.801 1.00 0.00 O ATOM 865 OE2 GLU A 53 -4.994 9.513 12.679 1.00 0.00 O ATOM 0 H GLU A 53 -4.027 7.343 9.303 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.855 5.229 10.671 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.569 6.824 11.687 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.123 7.698 10.273 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.904 8.055 13.153 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.344 9.250 11.999 1.00 0.00 H new ATOM 872 N ASP A 54 -5.557 6.321 12.050 1.00 0.00 N ATOM 873 CA ASP A 54 -6.498 6.094 13.118 1.00 0.00 C ATOM 874 C ASP A 54 -7.151 4.742 12.962 1.00 0.00 C ATOM 875 O ASP A 54 -7.584 4.150 13.936 1.00 0.00 O ATOM 876 CB ASP A 54 -7.550 7.203 13.175 1.00 0.00 C ATOM 877 CG ASP A 54 -8.189 7.324 14.545 1.00 0.00 C ATOM 878 OD1 ASP A 54 -7.452 7.561 15.525 1.00 0.00 O ATOM 879 OD2 ASP A 54 -9.426 7.182 14.638 1.00 0.00 O ATOM 0 H ASP A 54 -5.916 6.885 11.280 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.952 6.109 14.061 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.087 8.153 12.908 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.323 7.005 12.433 1.00 0.00 H new ATOM 884 N ALA A 55 -7.179 4.224 11.746 1.00 0.00 N ATOM 885 CA ALA A 55 -7.732 2.905 11.529 1.00 0.00 C ATOM 886 C ALA A 55 -6.912 1.922 12.353 1.00 0.00 C ATOM 887 O ALA A 55 -7.440 1.027 13.011 1.00 0.00 O ATOM 888 CB ALA A 55 -7.693 2.546 10.051 1.00 0.00 C ATOM 0 H ALA A 55 -6.831 4.690 10.908 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.777 2.872 11.838 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.113 1.551 9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.277 3.272 9.485 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.661 2.558 9.701 1.00 0.00 H new ATOM 894 N ALA A 56 -5.598 2.106 12.274 1.00 0.00 N ATOM 895 CA ALA A 56 -4.625 1.256 12.971 1.00 0.00 C ATOM 896 C ALA A 56 -4.735 1.335 14.491 1.00 0.00 C ATOM 897 O ALA A 56 -4.766 0.308 15.169 1.00 0.00 O ATOM 898 CB ALA A 56 -3.226 1.656 12.555 1.00 0.00 C ATOM 0 H ALA A 56 -5.171 2.851 11.723 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.843 0.226 12.688 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.500 1.027 13.070 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.116 1.529 11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.053 2.700 12.817 1.00 0.00 H new ATOM 904 N ALA A 57 -4.787 2.552 15.029 1.00 0.00 N ATOM 905 CA ALA A 57 -4.886 2.736 16.475 1.00 0.00 C ATOM 906 C ALA A 57 -6.290 2.414 16.967 1.00 0.00 C ATOM 907 O ALA A 57 -6.485 1.992 18.107 1.00 0.00 O ATOM 908 CB ALA A 57 -4.504 4.159 16.853 1.00 0.00 C ATOM 0 H ALA A 57 -4.762 3.418 14.491 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.191 2.048 16.956 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.582 4.282 17.933 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.479 4.356 16.539 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.177 4.860 16.358 1.00 0.00 H new ATOM 914 N LYS A 58 -7.259 2.617 16.090 1.00 0.00 N ATOM 915 CA LYS A 58 -8.652 2.353 16.412 1.00 0.00 C ATOM 916 C LYS A 58 -8.924 0.864 16.306 1.00 0.00 C ATOM 917 O LYS A 58 -9.672 0.296 17.102 1.00 0.00 O ATOM 918 CB LYS A 58 -9.583 3.151 15.489 1.00 0.00 C ATOM 919 CG LYS A 58 -9.917 2.459 14.178 1.00 0.00 C ATOM 920 CD LYS A 58 -10.954 3.240 13.386 1.00 0.00 C ATOM 921 CE LYS A 58 -10.476 4.649 13.072 1.00 0.00 C ATOM 922 NZ LYS A 58 -11.511 5.439 12.350 1.00 0.00 N ATOM 0 H LYS A 58 -7.105 2.966 15.144 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.849 2.674 17.435 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.511 3.359 16.022 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.119 4.113 15.270 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.011 2.347 13.583 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.291 1.455 14.380 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.174 2.715 12.457 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.884 3.289 13.952 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.212 5.158 13.999 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.570 4.599 12.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.146 6.393 12.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.745 4.967 11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.366 5.509 12.937 1.00 0.00 H new ATOM 936 N ASP A 59 -8.295 0.236 15.322 1.00 0.00 N ATOM 937 CA ASP A 59 -8.448 -1.187 15.114 1.00 0.00 C ATOM 938 C ASP A 59 -7.746 -1.941 16.227 1.00 0.00 C ATOM 939 O ASP A 59 -8.187 -3.004 16.635 1.00 0.00 O ATOM 940 CB ASP A 59 -7.873 -1.589 13.756 1.00 0.00 C ATOM 941 CG ASP A 59 -8.825 -1.293 12.614 1.00 0.00 C ATOM 942 OD1 ASP A 59 -9.575 -0.298 12.709 1.00 0.00 O ATOM 943 OD2 ASP A 59 -8.820 -2.055 11.624 1.00 0.00 O ATOM 0 H ASP A 59 -7.674 0.696 14.657 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.509 -1.438 15.126 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.935 -1.059 13.590 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.640 -2.654 13.764 1.00 0.00 H new ATOM 948 N LYS A 60 -6.655 -1.371 16.729 1.00 0.00 N ATOM 949 CA LYS A 60 -5.908 -1.995 17.813 1.00 0.00 C ATOM 950 C LYS A 60 -6.800 -2.123 19.038 1.00 0.00 C ATOM 951 O LYS A 60 -6.647 -3.028 19.858 1.00 0.00 O ATOM 952 CB LYS A 60 -4.644 -1.181 18.140 1.00 0.00 C ATOM 953 CG LYS A 60 -4.835 -0.090 19.194 1.00 0.00 C ATOM 954 CD LYS A 60 -3.902 -0.289 20.377 1.00 0.00 C ATOM 955 CE LYS A 60 -2.620 0.513 20.218 1.00 0.00 C ATOM 956 NZ LYS A 60 -1.531 -0.298 19.606 1.00 0.00 N ATOM 0 H LYS A 60 -6.271 -0.484 16.404 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.591 -2.990 17.501 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.868 -1.865 18.483 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.279 -0.719 17.222 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.652 0.887 18.746 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.869 -0.094 19.540 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.408 0.010 21.295 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.660 -1.347 20.477 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.814 1.388 19.598 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.297 0.878 21.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.674 0.284 19.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.328 -1.120 20.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.829 -0.626 18.665 1.00 0.00 H new ATOM 970 N GLN A 61 -7.725 -1.183 19.145 1.00 0.00 N ATOM 971 CA GLN A 61 -8.654 -1.130 20.245 1.00 0.00 C ATOM 972 C GLN A 61 -9.894 -1.972 19.948 1.00 0.00 C ATOM 973 O GLN A 61 -10.361 -2.733 20.789 1.00 0.00 O ATOM 974 CB GLN A 61 -9.029 0.332 20.524 1.00 0.00 C ATOM 975 CG GLN A 61 -10.520 0.583 20.684 1.00 0.00 C ATOM 976 CD GLN A 61 -10.890 1.073 22.072 1.00 0.00 C ATOM 977 OE1 GLN A 61 -10.199 0.561 23.088 1.00 0.00 O flip ATOM 978 NE2 GLN A 61 -11.786 1.902 22.232 1.00 0.00 N flip ATOM 0 H GLN A 61 -7.847 -0.434 18.463 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.183 -1.548 21.135 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.520 0.657 21.431 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.655 0.951 19.709 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.841 1.319 19.947 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.063 -0.338 20.472 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -12.291 2.269 21.425 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.023 2.222 23.171 1.00 0.00 H new ATOM 987 N ARG A 62 -10.441 -1.821 18.757 1.00 0.00 N ATOM 988 CA ARG A 62 -11.631 -2.571 18.393 1.00 0.00 C ATOM 989 C ARG A 62 -11.330 -4.058 18.249 1.00 0.00 C ATOM 990 O ARG A 62 -12.233 -4.891 18.320 1.00 0.00 O ATOM 991 CB ARG A 62 -12.221 -2.062 17.084 1.00 0.00 C ATOM 992 CG ARG A 62 -12.912 -3.163 16.303 1.00 0.00 C ATOM 993 CD ARG A 62 -13.452 -2.661 14.977 1.00 0.00 C ATOM 994 NE ARG A 62 -12.427 -2.682 13.937 1.00 0.00 N ATOM 995 CZ ARG A 62 -12.694 -2.653 12.633 1.00 0.00 C ATOM 996 NH1 ARG A 62 -13.949 -2.587 12.207 1.00 0.00 N ATOM 997 NH2 ARG A 62 -11.703 -2.689 11.753 1.00 0.00 N ATOM 0 H ARG A 62 -10.088 -1.195 18.033 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.351 -2.427 19.198 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.934 -1.265 17.294 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.429 -1.628 16.474 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.210 -3.977 16.124 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.730 -3.572 16.897 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.296 -3.279 14.670 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.828 -1.645 15.098 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.450 -2.721 14.226 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.715 -2.558 12.880 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.148 -2.565 11.207 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.736 -2.739 12.075 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.907 -2.667 10.754 1.00 0.00 H new ATOM 1011 N TYR A 63 -10.070 -4.384 18.021 1.00 0.00 N ATOM 1012 CA TYR A 63 -9.676 -5.772 17.838 1.00 0.00 C ATOM 1013 C TYR A 63 -9.338 -6.387 19.168 1.00 0.00 C ATOM 1014 O TYR A 63 -9.865 -7.429 19.533 1.00 0.00 O ATOM 1015 CB TYR A 63 -8.489 -5.893 16.880 1.00 0.00 C ATOM 1016 CG TYR A 63 -8.878 -6.393 15.507 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -9.919 -5.802 14.801 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -8.210 -7.458 14.921 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -10.281 -6.261 13.549 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -8.565 -7.923 13.670 1.00 0.00 C ATOM 1021 CZ TYR A 63 -9.601 -7.321 12.988 1.00 0.00 C ATOM 1022 OH TYR A 63 -9.959 -7.781 11.741 1.00 0.00 O ATOM 0 H TYR A 63 -9.305 -3.712 17.958 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.516 -6.309 17.396 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.009 -4.919 16.782 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.751 -6.570 17.310 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.453 -4.971 15.238 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.398 -7.932 15.452 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.092 -5.792 13.013 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.034 -8.753 13.228 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.380 -8.531 11.491 1.00 0.00 H new ATOM 1032 N HIS A 64 -8.478 -5.726 19.911 1.00 0.00 N ATOM 1033 CA HIS A 64 -8.118 -6.224 21.206 1.00 0.00 C ATOM 1034 C HIS A 64 -9.371 -6.250 22.092 1.00 0.00 C ATOM 1035 O HIS A 64 -9.421 -6.946 23.091 1.00 0.00 O ATOM 1036 CB HIS A 64 -7.005 -5.350 21.798 1.00 0.00 C ATOM 1037 CG HIS A 64 -7.514 -4.159 22.517 1.00 0.00 C ATOM 1038 ND1 HIS A 64 -8.612 -3.479 22.093 1.00 0.00 N ATOM 1039 CD2 HIS A 64 -7.074 -3.523 23.620 1.00 0.00 C ATOM 1040 CE1 HIS A 64 -8.842 -2.467 22.891 1.00 0.00 C ATOM 1041 NE2 HIS A 64 -7.922 -2.466 23.839 1.00 0.00 N ATOM 0 H HIS A 64 -8.024 -4.854 19.639 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.732 -7.241 21.139 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.407 -5.951 22.483 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.342 -5.026 20.996 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -9.172 -3.721 21.276 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.217 -3.793 24.218 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -9.647 -1.754 22.791 1.00 0.00 H new ATOM 1050 N ASP A 65 -10.403 -5.501 21.696 1.00 0.00 N ATOM 1051 CA ASP A 65 -11.638 -5.457 22.462 1.00 0.00 C ATOM 1052 C ASP A 65 -12.527 -6.650 22.149 1.00 0.00 C ATOM 1053 O ASP A 65 -13.485 -6.927 22.871 1.00 0.00 O ATOM 1054 CB ASP A 65 -12.384 -4.167 22.158 1.00 0.00 C ATOM 1055 CG ASP A 65 -13.649 -4.015 22.981 1.00 0.00 C ATOM 1056 OD1 ASP A 65 -13.547 -3.605 24.156 1.00 0.00 O ATOM 1057 OD2 ASP A 65 -14.742 -4.305 22.450 1.00 0.00 O ATOM 0 H ASP A 65 -10.403 -4.923 20.855 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.382 -5.495 23.521 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.727 -3.318 22.349 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.639 -4.141 21.099 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.213 -7.351 21.069 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.992 -8.505 20.668 1.00 0.00 C ATOM 1064 C GLU A 66 -12.076 -9.695 20.492 1.00 0.00 C ATOM 1065 O GLU A 66 -12.342 -10.782 20.998 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.746 -8.222 19.367 1.00 0.00 C ATOM 1067 CG GLU A 66 -14.393 -6.846 19.326 1.00 0.00 C ATOM 1068 CD GLU A 66 -15.899 -6.913 19.159 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -16.608 -6.984 20.185 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -16.369 -6.894 18.002 1.00 0.00 O ATOM 0 H GLU A 66 -11.425 -7.138 20.458 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.725 -8.724 21.445 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.055 -8.315 18.529 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.516 -8.981 19.231 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.157 -6.310 20.245 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.965 -6.272 18.504 1.00 0.00 H new ATOM 1077 N MET A 67 -10.984 -9.472 19.777 1.00 0.00 N ATOM 1078 CA MET A 67 -10.004 -10.511 19.536 1.00 0.00 C ATOM 1079 C MET A 67 -9.373 -10.935 20.858 1.00 0.00 C ATOM 1080 O MET A 67 -9.253 -12.126 21.144 1.00 0.00 O ATOM 1081 CB MET A 67 -8.920 -10.021 18.560 1.00 0.00 C ATOM 1082 CG MET A 67 -9.428 -9.087 17.461 1.00 0.00 C ATOM 1083 SD MET A 67 -9.790 -9.934 15.913 1.00 0.00 S ATOM 1084 CE MET A 67 -11.568 -10.114 16.037 1.00 0.00 C ATOM 0 H MET A 67 -10.756 -8.573 19.352 1.00 0.00 H new ATOM 0 HA MET A 67 -10.504 -11.368 19.085 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.145 -9.505 19.127 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.451 -10.887 18.094 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.329 -8.583 17.810 1.00 0.00 H new ATOM 0 HG3 MET A 67 -8.682 -8.314 17.278 1.00 0.00 H new ATOM 0 HE1 MET A 67 -11.879 -11.022 15.521 1.00 0.00 H new ATOM 0 HE2 MET A 67 -11.855 -10.177 17.087 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.054 -9.252 15.579 1.00 0.00 H new ATOM 1094 N ARG A 68 -8.981 -9.950 21.669 1.00 0.00 N ATOM 1095 CA ARG A 68 -8.376 -10.239 22.967 1.00 0.00 C ATOM 1096 C ARG A 68 -9.462 -10.664 23.957 1.00 0.00 C ATOM 1097 O ARG A 68 -9.280 -11.589 24.749 1.00 0.00 O ATOM 1098 CB ARG A 68 -7.589 -9.013 23.477 1.00 0.00 C ATOM 1099 CG ARG A 68 -8.112 -8.383 24.769 1.00 0.00 C ATOM 1100 CD ARG A 68 -7.870 -6.882 24.792 1.00 0.00 C ATOM 1101 NE ARG A 68 -7.040 -6.469 25.920 1.00 0.00 N ATOM 1102 CZ ARG A 68 -5.735 -6.716 26.011 1.00 0.00 C ATOM 1103 NH1 ARG A 68 -5.106 -7.369 25.042 1.00 0.00 N ATOM 1104 NH2 ARG A 68 -5.056 -6.306 27.074 1.00 0.00 N ATOM 0 H ARG A 68 -9.071 -8.957 21.452 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.668 -11.062 22.864 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.551 -9.309 23.632 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.590 -8.252 22.696 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.179 -8.583 24.867 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.621 -8.845 25.626 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.390 -6.580 23.861 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.827 -6.363 24.840 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.487 -5.961 26.684 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.623 -7.685 24.221 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.106 -7.555 25.118 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.534 -5.802 27.821 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.056 -6.495 27.144 1.00 0.00 H new ATOM 1118 N ASN A 69 -10.588 -9.962 23.894 1.00 0.00 N ATOM 1119 CA ASN A 69 -11.723 -10.232 24.772 1.00 0.00 C ATOM 1120 C ASN A 69 -12.668 -11.271 24.167 1.00 0.00 C ATOM 1121 O ASN A 69 -13.817 -11.392 24.592 1.00 0.00 O ATOM 1122 CB ASN A 69 -12.487 -8.938 25.059 1.00 0.00 C ATOM 1123 CG ASN A 69 -12.040 -8.277 26.349 1.00 0.00 C ATOM 1124 OD1 ASN A 69 -12.492 -8.640 27.435 1.00 0.00 O ATOM 1125 ND2 ASN A 69 -11.147 -7.301 26.235 1.00 0.00 N ATOM 0 H ASN A 69 -10.740 -9.195 23.239 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.331 -10.637 25.705 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.345 -8.244 24.230 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.554 -9.154 25.115 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.809 -6.820 27.068 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.799 -7.033 25.314 1.00 0.00 H new ATOM 1132 N TYR A 70 -12.186 -12.015 23.175 1.00 0.00 N ATOM 1133 CA TYR A 70 -13.000 -13.034 22.523 1.00 0.00 C ATOM 1134 C TYR A 70 -13.414 -14.119 23.514 1.00 0.00 C ATOM 1135 O TYR A 70 -14.513 -14.667 23.427 1.00 0.00 O ATOM 1136 CB TYR A 70 -12.242 -13.651 21.340 1.00 0.00 C ATOM 1137 CG TYR A 70 -11.215 -14.693 21.733 1.00 0.00 C ATOM 1138 CD1 TYR A 70 -10.123 -14.359 22.525 1.00 0.00 C ATOM 1139 CD2 TYR A 70 -11.340 -16.010 21.309 1.00 0.00 C ATOM 1140 CE1 TYR A 70 -9.186 -15.309 22.884 1.00 0.00 C ATOM 1141 CE2 TYR A 70 -10.407 -16.965 21.664 1.00 0.00 C ATOM 1142 CZ TYR A 70 -9.332 -16.610 22.451 1.00 0.00 C ATOM 1143 OH TYR A 70 -8.401 -17.559 22.807 1.00 0.00 O ATOM 0 H TYR A 70 -11.239 -11.931 22.807 1.00 0.00 H new ATOM 0 HA TYR A 70 -13.904 -12.555 22.146 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.962 -14.106 20.660 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.742 -12.855 20.789 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -10.005 -13.341 22.865 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.180 -16.292 20.692 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.343 -15.034 23.501 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.519 -17.985 21.327 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.652 -18.424 22.421 1.00 0.00 H new ATOM 1153 N LYS A 71 -12.527 -14.424 24.456 1.00 0.00 N ATOM 1154 CA LYS A 71 -12.801 -15.442 25.463 1.00 0.00 C ATOM 1155 C LYS A 71 -13.867 -14.964 26.449 1.00 0.00 C ATOM 1156 O LYS A 71 -14.945 -15.552 26.539 1.00 0.00 O ATOM 1157 CB LYS A 71 -11.518 -15.808 26.213 1.00 0.00 C ATOM 1158 CG LYS A 71 -10.763 -16.973 25.594 1.00 0.00 C ATOM 1159 CD LYS A 71 -9.352 -17.080 26.148 1.00 0.00 C ATOM 1160 CE LYS A 71 -8.846 -18.512 26.110 1.00 0.00 C ATOM 1161 NZ LYS A 71 -7.398 -18.581 25.770 1.00 0.00 N ATOM 0 H LYS A 71 -11.613 -13.981 24.543 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.179 -16.328 24.953 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.864 -14.937 26.243 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.768 -16.055 27.245 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.302 -17.901 25.787 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.722 -16.847 24.512 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.684 -16.441 25.570 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.334 -16.714 27.175 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.014 -18.982 27.079 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.418 -19.080 25.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.060 -19.558 25.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.258 -18.281 24.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.863 -17.952 26.402 1.00 0.00 H new ATOM 1175 N PRO A 72 -13.582 -13.888 27.206 1.00 0.00 N ATOM 1176 CA PRO A 72 -14.528 -13.343 28.186 1.00 0.00 C ATOM 1177 C PRO A 72 -15.836 -12.895 27.540 1.00 0.00 C ATOM 1178 O PRO A 72 -16.871 -13.541 27.703 1.00 0.00 O ATOM 1179 CB PRO A 72 -13.786 -12.143 28.791 1.00 0.00 C ATOM 1180 CG PRO A 72 -12.692 -11.826 27.829 1.00 0.00 C ATOM 1181 CD PRO A 72 -12.323 -13.124 27.171 1.00 0.00 C ATOM 0 HA PRO A 72 -14.816 -14.090 28.926 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.455 -11.292 28.919 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.385 -12.385 29.775 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.023 -11.096 27.091 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.834 -11.393 28.344 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -11.972 -12.973 26.150 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.526 -13.636 27.710 1.00 0.00 H new ATOM 1189 N GLU A 73 -15.784 -11.787 26.808 1.00 0.00 N ATOM 1190 CA GLU A 73 -16.966 -11.256 26.140 1.00 0.00 C ATOM 1191 C GLU A 73 -16.618 -10.019 25.318 1.00 0.00 C ATOM 1192 O GLU A 73 -16.687 -10.038 24.089 1.00 0.00 O ATOM 1193 CB GLU A 73 -18.048 -10.912 27.166 1.00 0.00 C ATOM 1194 CG GLU A 73 -19.463 -11.100 26.645 1.00 0.00 C ATOM 1195 CD GLU A 73 -19.716 -12.507 26.139 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -20.086 -13.375 26.957 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -19.544 -12.741 24.924 1.00 0.00 O ATOM 0 H GLU A 73 -14.936 -11.240 26.663 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.345 -12.024 25.466 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -17.910 -11.535 28.050 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -17.921 -9.877 27.482 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -20.172 -10.871 27.440 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -19.647 -10.389 25.839 1.00 0.00 H new ATOM 1204 N ALA A 74 -16.243 -8.944 26.005 1.00 0.00 N ATOM 1205 CA ALA A 74 -15.884 -7.698 25.339 1.00 0.00 C ATOM 1206 C ALA A 74 -14.737 -7.001 26.061 1.00 0.00 C ATOM 1207 O ALA A 74 -14.655 -7.127 27.301 1.00 0.00 O ATOM 1208 CB ALA A 74 -17.093 -6.779 25.254 1.00 0.00 C ATOM 1209 OXT ALA A 74 -13.929 -6.334 25.381 1.00 0.00 O ATOM 0 H ALA A 74 -16.180 -8.912 27.023 1.00 0.00 H new ATOM 0 HA ALA A 74 -15.551 -7.937 24.329 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -16.811 -5.852 24.755 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -17.884 -7.270 24.688 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -17.451 -6.555 26.259 1.00 0.00 H new TER 1215 ALA A 74