USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 0 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 57 ASN : amide:sc= -2.12! C(o=-2.1!,f=-6!) USER MOD Set 1.2: A 59 SER OG : rot 102:sc= 0.00611 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 53:sc= 0.0285 USER MOD Single : A 8 THR OG1 : rot 174:sc= -0.967 USER MOD Single : A 11 GLN : amide:sc= -0.322 K(o=-0.32,f=-1.4) USER MOD Single : A 14 GLN : amide:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 15 SER OG : rot -34:sc= 0.419 USER MOD Single : A 22 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.0016) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -62:sc= 1.23 USER MOD Single : A 46 HIS : no HD1:sc= -0.353 K(o=-0.35,f=-2.5!) USER MOD Single : A 51 ASN : amide:sc= -10.8! C(o=-11!,f=-13!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.0994 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0263 X(o=-0.026,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.022) USER MOD Single : A 86 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.00907) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0265 USER MOD Single : A 89 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-1) USER MOD Single : A 91 CYS SG : rot 180:sc= -0.0961 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.929 23.245 -9.936 1.00 0.00 N ATOM 2 CA MET A 1 18.772 22.293 -9.217 1.00 0.00 C ATOM 3 C MET A 1 18.971 21.031 -10.022 1.00 0.00 C ATOM 4 O MET A 1 18.729 19.911 -9.552 1.00 0.00 O ATOM 5 CB MET A 1 20.137 22.951 -8.873 1.00 0.00 C ATOM 6 CG MET A 1 21.195 22.018 -8.248 1.00 0.00 C ATOM 7 SD MET A 1 22.434 22.996 -7.381 1.00 0.00 S ATOM 8 CE MET A 1 22.084 22.445 -5.706 1.00 0.00 C ATOM 0 H1 MET A 1 17.807 24.104 -9.362 1.00 0.00 H new ATOM 0 H2 MET A 1 18.379 23.494 -10.840 1.00 0.00 H new ATOM 0 H3 MET A 1 16.999 22.816 -10.119 1.00 0.00 H new ATOM 0 HA MET A 1 18.272 22.017 -8.289 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.552 23.380 -9.785 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.957 23.777 -8.185 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.718 21.323 -7.557 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.670 21.419 -9.025 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.758 22.945 -5.010 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.053 22.689 -5.451 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.229 21.367 -5.640 1.00 0.00 H new ATOM 9 N LYS A 2 19.473 21.207 -11.404 1.00 0.00 N ATOM 10 CA LYS A 2 19.716 20.070 -12.286 1.00 0.00 C ATOM 11 C LYS A 2 18.420 19.395 -12.669 1.00 0.00 C ATOM 12 O LYS A 2 17.322 19.816 -12.281 1.00 0.00 O ATOM 13 CB LYS A 2 20.676 19.069 -11.586 1.00 0.00 C ATOM 14 CG LYS A 2 21.670 18.386 -12.558 1.00 0.00 C ATOM 15 CD LYS A 2 23.148 18.570 -12.203 1.00 0.00 C ATOM 16 CE LYS A 2 23.968 18.689 -13.495 1.00 0.00 C ATOM 17 NZ LYS A 2 25.102 19.603 -13.273 1.00 0.00 N ATOM 0 H LYS A 2 19.678 22.114 -11.823 1.00 0.00 H new ATOM 0 HA LYS A 2 20.182 20.428 -13.204 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.238 19.595 -10.814 1.00 0.00 H new ATOM 0 HB3 LYS A 2 20.086 18.302 -11.084 1.00 0.00 H new ATOM 0 HG2 LYS A 2 21.449 17.319 -12.590 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.501 18.777 -13.561 1.00 0.00 H new ATOM 0 HD2 LYS A 2 23.279 19.463 -11.592 1.00 0.00 H new ATOM 0 HD3 LYS A 2 23.500 17.725 -11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 2 24.332 17.708 -13.799 1.00 0.00 H new ATOM 0 HE3 LYS A 2 23.340 19.061 -14.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 25.659 19.685 -14.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 24.744 20.541 -13.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 25.705 19.230 -12.513 1.00 0.00 H new ATOM 18 N LYS A 3 18.535 18.203 -13.539 1.00 0.00 N ATOM 19 CA LYS A 3 17.362 17.507 -14.057 1.00 0.00 C ATOM 20 C LYS A 3 17.456 16.022 -13.799 1.00 0.00 C ATOM 21 O LYS A 3 18.125 15.274 -14.525 1.00 0.00 O ATOM 22 CB LYS A 3 17.216 17.799 -15.576 1.00 0.00 C ATOM 23 CG LYS A 3 16.220 18.942 -15.891 1.00 0.00 C ATOM 24 CD LYS A 3 16.869 20.264 -16.312 1.00 0.00 C ATOM 25 CE LYS A 3 17.914 19.989 -17.401 1.00 0.00 C ATOM 26 NZ LYS A 3 18.004 21.154 -18.299 1.00 0.00 N ATOM 0 H LYS A 3 19.425 17.797 -13.829 1.00 0.00 H new ATOM 0 HA LYS A 3 16.476 17.872 -13.538 1.00 0.00 H new ATOM 0 HB2 LYS A 3 18.193 18.056 -15.984 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.888 16.891 -16.083 1.00 0.00 H new ATOM 0 HG2 LYS A 3 15.551 18.613 -16.686 1.00 0.00 H new ATOM 0 HG3 LYS A 3 15.604 19.121 -15.010 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.111 20.953 -16.685 1.00 0.00 H new ATOM 0 HD3 LYS A 3 17.339 20.742 -15.453 1.00 0.00 H new ATOM 0 HE2 LYS A 3 18.885 19.790 -16.947 1.00 0.00 H new ATOM 0 HE3 LYS A 3 17.639 19.099 -17.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 18.712 20.969 -19.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 17.078 21.324 -18.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.285 21.993 -17.752 1.00 0.00 H new ATOM 27 N ALA A 4 16.718 15.514 -12.622 1.00 0.00 N ATOM 28 CA ALA A 4 16.717 14.100 -12.260 1.00 0.00 C ATOM 29 C ALA A 4 15.826 13.305 -13.186 1.00 0.00 C ATOM 30 O ALA A 4 16.104 12.144 -13.518 1.00 0.00 O ATOM 31 CB ALA A 4 16.288 13.995 -10.786 1.00 0.00 C ATOM 0 H ALA A 4 16.171 16.106 -11.997 1.00 0.00 H new ATOM 0 HA ALA A 4 17.713 13.670 -12.371 1.00 0.00 H new ATOM 0 HB1 ALA A 4 16.277 12.948 -10.484 1.00 0.00 H new ATOM 0 HB2 ALA A 4 16.992 14.545 -10.162 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.290 14.417 -10.666 1.00 0.00 H new ATOM 32 N THR A 5 14.589 13.978 -13.639 1.00 0.00 N ATOM 33 CA THR A 5 13.602 13.319 -14.487 1.00 0.00 C ATOM 34 C THR A 5 12.674 12.443 -13.679 1.00 0.00 C ATOM 35 O THR A 5 11.598 12.038 -14.151 1.00 0.00 O ATOM 36 CB THR A 5 14.302 12.492 -15.617 1.00 0.00 C ATOM 37 OG1 THR A 5 13.636 12.682 -16.859 1.00 0.00 O ATOM 38 CG2 THR A 5 14.333 10.960 -15.426 1.00 0.00 C ATOM 0 H THR A 5 14.347 14.937 -13.391 1.00 0.00 H new ATOM 0 HA THR A 5 12.998 14.097 -14.955 1.00 0.00 H new ATOM 0 HB THR A 5 15.324 12.869 -15.585 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.087 12.160 -17.555 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.843 10.498 -16.272 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.865 10.719 -14.506 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.313 10.580 -15.366 1.00 0.00 H new ATOM 39 N CYS A 6 13.080 12.119 -12.295 1.00 0.00 N ATOM 40 CA CYS A 6 12.325 11.177 -11.472 1.00 0.00 C ATOM 41 C CYS A 6 11.112 11.828 -10.853 1.00 0.00 C ATOM 42 O CYS A 6 10.462 11.262 -9.956 1.00 0.00 O ATOM 43 CB CYS A 6 13.276 10.583 -10.414 1.00 0.00 C ATOM 44 SG CYS A 6 14.685 9.771 -11.202 1.00 0.00 S ATOM 0 H CYS A 6 13.895 12.522 -11.833 1.00 0.00 H new ATOM 0 HA CYS A 6 11.939 10.370 -12.095 1.00 0.00 H new ATOM 0 HB2 CYS A 6 13.630 11.373 -9.752 1.00 0.00 H new ATOM 0 HB3 CYS A 6 12.737 9.866 -9.795 1.00 0.00 H new ATOM 0 HG CYS A 6 15.248 10.593 -12.037 1.00 0.00 H new ATOM 45 N LEU A 7 10.724 13.163 -11.359 1.00 0.00 N ATOM 46 CA LEU A 7 9.478 13.809 -10.953 1.00 0.00 C ATOM 47 C LEU A 7 8.332 13.369 -11.834 1.00 0.00 C ATOM 48 O LEU A 7 7.776 14.150 -12.619 1.00 0.00 O ATOM 49 CB LEU A 7 9.634 15.355 -10.967 1.00 0.00 C ATOM 50 CG LEU A 7 10.405 16.023 -9.796 1.00 0.00 C ATOM 51 CD1 LEU A 7 11.838 15.476 -9.729 1.00 0.00 C ATOM 52 CD2 LEU A 7 10.441 17.556 -9.905 1.00 0.00 C ATOM 0 H LEU A 7 11.288 13.709 -12.010 1.00 0.00 H new ATOM 0 HA LEU A 7 9.250 13.502 -9.932 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.133 15.631 -11.896 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.635 15.791 -11.000 1.00 0.00 H new ATOM 0 HG LEU A 7 9.866 15.776 -8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 7 12.370 15.951 -8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 7 11.809 14.398 -9.570 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.353 15.690 -10.665 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.993 17.968 -9.060 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.933 17.843 -10.834 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.423 17.945 -9.898 1.00 0.00 H new ATOM 53 N THR A 8 7.938 11.947 -11.734 1.00 0.00 N ATOM 54 CA THR A 8 6.918 11.362 -12.599 1.00 0.00 C ATOM 55 C THR A 8 5.994 10.462 -11.812 1.00 0.00 C ATOM 56 O THR A 8 6.424 9.659 -10.973 1.00 0.00 O ATOM 57 CB THR A 8 7.579 10.577 -13.782 1.00 0.00 C ATOM 58 OG1 THR A 8 8.834 10.040 -13.386 1.00 0.00 O ATOM 59 CG2 THR A 8 7.893 11.396 -15.054 1.00 0.00 C ATOM 0 H THR A 8 8.345 11.292 -11.066 1.00 0.00 H new ATOM 0 HA THR A 8 6.324 12.174 -13.017 1.00 0.00 H new ATOM 0 HB THR A 8 6.821 9.831 -14.022 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.188 9.473 -14.102 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.348 10.746 -15.802 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.970 11.818 -15.452 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.583 12.202 -14.806 1.00 0.00 H new ATOM 60 N ASP A 9 4.547 10.623 -12.074 1.00 0.00 N ATOM 61 CA ASP A 9 3.549 9.754 -11.457 1.00 0.00 C ATOM 62 C ASP A 9 3.762 8.315 -11.865 1.00 0.00 C ATOM 63 O ASP A 9 3.403 7.372 -11.147 1.00 0.00 O ATOM 64 CB ASP A 9 2.118 10.246 -11.798 1.00 0.00 C ATOM 65 CG ASP A 9 0.998 9.197 -11.747 1.00 0.00 C ATOM 66 OD1 ASP A 9 0.982 8.204 -12.460 1.00 0.00 O ATOM 67 OD2 ASP A 9 0.030 9.499 -10.830 1.00 0.00 O ATOM 0 H ASP A 9 4.158 11.337 -12.690 1.00 0.00 H new ATOM 0 HA ASP A 9 3.665 9.802 -10.374 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.862 11.051 -11.109 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.136 10.677 -12.799 1.00 0.00 H new ATOM 68 N ASP A 10 4.459 8.098 -13.153 1.00 0.00 N ATOM 69 CA ASP A 10 4.585 6.771 -13.748 1.00 0.00 C ATOM 70 C ASP A 10 5.693 5.985 -13.087 1.00 0.00 C ATOM 71 O ASP A 10 5.526 4.815 -12.711 1.00 0.00 O ATOM 72 CB ASP A 10 4.786 6.884 -15.281 1.00 0.00 C ATOM 73 CG ASP A 10 4.256 5.721 -16.133 1.00 0.00 C ATOM 74 OD1 ASP A 10 3.086 5.623 -16.474 1.00 0.00 O ATOM 75 OD2 ASP A 10 5.224 4.806 -16.441 1.00 0.00 O ATOM 0 H ASP A 10 4.888 8.845 -13.699 1.00 0.00 H new ATOM 0 HA ASP A 10 3.660 6.221 -13.577 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.305 7.801 -15.621 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.853 6.991 -15.477 1.00 0.00 H new ATOM 76 N GLN A 11 6.974 6.693 -12.875 1.00 0.00 N ATOM 77 CA GLN A 11 8.142 6.027 -12.303 1.00 0.00 C ATOM 78 C GLN A 11 7.959 5.803 -10.819 1.00 0.00 C ATOM 79 O GLN A 11 8.230 4.727 -10.271 1.00 0.00 O ATOM 80 CB GLN A 11 9.389 6.893 -12.581 1.00 0.00 C ATOM 81 CG GLN A 11 10.523 6.839 -11.504 1.00 0.00 C ATOM 82 CD GLN A 11 11.877 6.223 -11.875 1.00 0.00 C ATOM 83 OE1 GLN A 11 12.546 5.623 -11.049 1.00 0.00 O ATOM 84 NE2 GLN A 11 12.322 6.314 -13.103 1.00 0.00 N ATOM 0 H GLN A 11 7.125 7.674 -13.109 1.00 0.00 H new ATOM 0 HA GLN A 11 8.269 5.048 -12.765 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.811 6.588 -13.538 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.069 7.929 -12.690 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.707 7.860 -11.170 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.136 6.288 -10.647 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.777 6.811 -13.807 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.214 5.887 -13.355 1.00 0.00 H new ATOM 85 N ARG A 12 7.397 6.944 -10.061 1.00 0.00 N ATOM 86 CA ARG A 12 6.996 6.858 -8.663 1.00 0.00 C ATOM 87 C ARG A 12 6.292 5.555 -8.360 1.00 0.00 C ATOM 88 O ARG A 12 6.756 4.640 -7.652 1.00 0.00 O ATOM 89 CB ARG A 12 6.024 8.052 -8.378 1.00 0.00 C ATOM 90 CG ARG A 12 6.679 9.326 -7.792 1.00 0.00 C ATOM 91 CD ARG A 12 5.689 10.184 -6.991 1.00 0.00 C ATOM 92 NE ARG A 12 4.680 10.733 -7.933 1.00 0.00 N ATOM 93 CZ ARG A 12 4.803 11.858 -8.623 1.00 0.00 C ATOM 94 NH1 ARG A 12 5.836 12.645 -8.565 1.00 0.00 N ATOM 95 NH2 ARG A 12 3.833 12.187 -9.400 1.00 0.00 N ATOM 0 H ARG A 12 7.254 7.867 -10.470 1.00 0.00 H new ATOM 0 HA ARG A 12 7.883 6.902 -8.032 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.523 8.319 -9.309 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.253 7.712 -7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.510 9.039 -7.147 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.096 9.922 -8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.203 9.584 -6.221 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.213 10.993 -6.482 1.00 0.00 H new ATOM 0 HE ARG A 12 3.820 10.199 -8.059 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.622 12.411 -7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.861 13.496 -9.126 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.009 11.590 -9.468 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.888 13.045 -9.949 1.00 0.00 H new ATOM 96 N TRP A 13 4.930 5.436 -8.951 1.00 0.00 N ATOM 97 CA TRP A 13 4.042 4.346 -8.591 1.00 0.00 C ATOM 98 C TRP A 13 4.504 3.040 -9.191 1.00 0.00 C ATOM 99 O TRP A 13 4.217 1.950 -8.678 1.00 0.00 O ATOM 100 CB TRP A 13 2.601 4.655 -9.138 1.00 0.00 C ATOM 101 CG TRP A 13 1.788 3.344 -9.120 1.00 0.00 C ATOM 102 CD1 TRP A 13 1.581 2.484 -10.215 1.00 0.00 C ATOM 103 CD2 TRP A 13 1.232 2.726 -8.023 1.00 0.00 C ATOM 104 NE1 TRP A 13 0.885 1.322 -9.825 1.00 0.00 N ATOM 105 CE2 TRP A 13 0.681 1.495 -8.461 1.00 0.00 C ATOM 106 CE3 TRP A 13 1.174 3.105 -6.656 1.00 0.00 C ATOM 107 CZ2 TRP A 13 0.050 0.643 -7.529 1.00 0.00 C ATOM 108 CZ3 TRP A 13 0.529 2.253 -5.761 1.00 0.00 C ATOM 109 CH2 TRP A 13 -0.031 1.041 -6.192 1.00 0.00 C ATOM 0 H TRP A 13 4.541 6.093 -9.628 1.00 0.00 H new ATOM 0 HA TRP A 13 4.041 4.256 -7.505 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.115 5.412 -8.523 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.656 5.054 -10.151 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.912 2.688 -11.223 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.598 0.536 -10.408 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.618 4.030 -6.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.364 -0.303 -7.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.459 2.530 -4.720 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.533 0.405 -5.478 1.00 0.00 H new ATOM 110 N GLN A 14 5.269 3.125 -10.459 1.00 0.00 N ATOM 111 CA GLN A 14 5.921 1.945 -11.027 1.00 0.00 C ATOM 112 C GLN A 14 6.833 1.324 -9.983 1.00 0.00 C ATOM 113 O GLN A 14 6.968 0.100 -9.870 1.00 0.00 O ATOM 114 CB GLN A 14 6.719 2.345 -12.282 1.00 0.00 C ATOM 115 CG GLN A 14 7.803 1.325 -12.769 1.00 0.00 C ATOM 116 CD GLN A 14 8.294 1.390 -14.220 1.00 0.00 C ATOM 117 OE1 GLN A 14 8.709 0.395 -14.792 1.00 0.00 O ATOM 118 NE2 GLN A 14 8.276 2.528 -14.866 1.00 0.00 N ATOM 0 H GLN A 14 5.388 3.980 -11.001 1.00 0.00 H new ATOM 0 HA GLN A 14 5.170 1.211 -11.318 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.014 2.511 -13.097 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.210 3.298 -12.086 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.674 1.438 -12.123 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.409 0.323 -12.601 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.933 3.371 -14.405 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.605 2.572 -15.830 1.00 0.00 H new ATOM 119 N SER A 15 7.514 2.291 -9.089 1.00 0.00 N ATOM 120 CA SER A 15 8.276 1.858 -7.923 1.00 0.00 C ATOM 121 C SER A 15 7.398 1.058 -6.985 1.00 0.00 C ATOM 122 O SER A 15 7.824 0.017 -6.454 1.00 0.00 O ATOM 123 CB SER A 15 8.951 3.053 -7.207 1.00 0.00 C ATOM 124 OG SER A 15 10.164 2.693 -6.536 1.00 0.00 O ATOM 0 H SER A 15 7.496 3.302 -9.227 1.00 0.00 H new ATOM 0 HA SER A 15 9.080 1.206 -8.264 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.165 3.833 -7.938 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.254 3.476 -6.483 1.00 0.00 H new ATOM 0 HG SER A 15 10.085 1.781 -6.185 1.00 0.00 H new ATOM 125 N VAL A 16 6.007 1.551 -6.763 1.00 0.00 N ATOM 126 CA VAL A 16 5.058 0.743 -6.006 1.00 0.00 C ATOM 127 C VAL A 16 4.780 -0.627 -6.580 1.00 0.00 C ATOM 128 O VAL A 16 4.774 -1.650 -5.850 1.00 0.00 O ATOM 129 CB VAL A 16 3.698 1.474 -5.685 1.00 0.00 C ATOM 130 CG1 VAL A 16 2.841 0.815 -4.553 1.00 0.00 C ATOM 131 CG2 VAL A 16 3.840 2.956 -5.275 1.00 0.00 C ATOM 0 H VAL A 16 5.643 2.440 -7.107 1.00 0.00 H new ATOM 0 HA VAL A 16 5.592 0.593 -5.068 1.00 0.00 H new ATOM 0 HB VAL A 16 3.198 1.382 -6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.927 1.390 -4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.586 -0.206 -4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.413 0.801 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.854 3.374 -5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.454 3.028 -4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.313 3.514 -6.084 1.00 0.00 H new ATOM 132 N LEU A 17 4.437 -0.728 -8.010 1.00 0.00 N ATOM 133 CA LEU A 17 4.187 -2.033 -8.658 1.00 0.00 C ATOM 134 C LEU A 17 5.313 -2.982 -8.340 1.00 0.00 C ATOM 135 O LEU A 17 5.147 -4.117 -7.878 1.00 0.00 O ATOM 136 CB LEU A 17 4.011 -1.865 -10.193 1.00 0.00 C ATOM 137 CG LEU A 17 2.681 -1.239 -10.700 1.00 0.00 C ATOM 138 CD1 LEU A 17 2.450 -1.616 -12.169 1.00 0.00 C ATOM 139 CD2 LEU A 17 1.468 -1.666 -9.857 1.00 0.00 C ATOM 0 H LEU A 17 4.351 0.075 -8.633 1.00 0.00 H new ATOM 0 HA LEU A 17 3.259 -2.450 -8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.833 -1.251 -10.560 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.117 -2.847 -10.653 1.00 0.00 H new ATOM 0 HG LEU A 17 2.779 -0.158 -10.603 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.516 -1.173 -12.516 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.276 -1.242 -12.775 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.394 -2.701 -12.262 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.566 -1.200 -10.255 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.363 -2.750 -9.894 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.614 -1.351 -8.824 1.00 0.00 H new ATOM 140 N ALA A 18 6.671 -2.471 -8.662 1.00 0.00 N ATOM 141 CA ALA A 18 7.881 -3.279 -8.612 1.00 0.00 C ATOM 142 C ALA A 18 8.523 -3.240 -7.246 1.00 0.00 C ATOM 143 O ALA A 18 9.681 -3.640 -7.065 1.00 0.00 O ATOM 144 CB ALA A 18 8.838 -2.729 -9.699 1.00 0.00 C ATOM 0 H ALA A 18 6.843 -1.506 -8.943 1.00 0.00 H new ATOM 0 HA ALA A 18 7.644 -4.326 -8.801 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.762 -3.308 -9.697 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.362 -2.808 -10.676 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.064 -1.684 -9.489 1.00 0.00 H new ATOM 145 N ARG A 19 7.681 -2.786 -6.122 1.00 0.00 N ATOM 146 CA ARG A 19 8.130 -2.415 -4.788 1.00 0.00 C ATOM 147 C ARG A 19 9.617 -2.432 -4.583 1.00 0.00 C ATOM 148 O ARG A 19 10.157 -2.962 -3.598 1.00 0.00 O ATOM 149 CB ARG A 19 7.383 -3.301 -3.748 1.00 0.00 C ATOM 150 CG ARG A 19 7.858 -4.766 -3.585 1.00 0.00 C ATOM 151 CD ARG A 19 7.668 -5.632 -4.835 1.00 0.00 C ATOM 152 NE ARG A 19 8.920 -6.403 -5.059 1.00 0.00 N ATOM 153 CZ ARG A 19 9.330 -7.430 -4.327 1.00 0.00 C ATOM 154 NH1 ARG A 19 8.682 -7.911 -3.308 1.00 0.00 N ATOM 155 NH2 ARG A 19 10.445 -7.982 -4.652 1.00 0.00 N ATOM 0 H ARG A 19 6.669 -2.700 -6.220 1.00 0.00 H new ATOM 0 HA ARG A 19 7.875 -1.365 -4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.457 -2.813 -2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.327 -3.318 -4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.914 -4.766 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.317 -5.221 -2.756 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.823 -6.308 -4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.446 -5.007 -5.700 1.00 0.00 H new ATOM 0 HE ARG A 19 9.512 -6.119 -5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.795 -7.494 -3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.060 -8.705 -2.792 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.977 -7.627 -5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.797 -8.775 -4.115 1.00 0.00 H new ATOM 156 N ASP A 20 10.431 -1.725 -5.604 1.00 0.00 N ATOM 157 CA ASP A 20 11.861 -1.482 -5.476 1.00 0.00 C ATOM 158 C ASP A 20 12.138 -0.169 -4.788 1.00 0.00 C ATOM 159 O ASP A 20 11.601 0.887 -5.161 1.00 0.00 O ATOM 160 CB ASP A 20 12.524 -1.506 -6.887 1.00 0.00 C ATOM 161 CG ASP A 20 13.981 -1.980 -6.955 1.00 0.00 C ATOM 162 OD1 ASP A 20 14.189 -3.156 -6.288 1.00 0.00 O ATOM 163 OD2 ASP A 20 14.861 -1.357 -7.532 1.00 0.00 O ATOM 0 H ASP A 20 10.035 -1.360 -6.470 1.00 0.00 H new ATOM 0 HA ASP A 20 12.289 -2.272 -4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.926 -2.149 -7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.474 -0.500 -7.304 1.00 0.00 H new ATOM 164 N PRO A 21 13.068 -0.210 -3.644 1.00 0.00 N ATOM 165 CA PRO A 21 13.535 1.001 -2.817 1.00 0.00 C ATOM 166 C PRO A 21 14.704 1.746 -3.431 1.00 0.00 C ATOM 167 O PRO A 21 15.571 2.305 -2.745 1.00 0.00 O ATOM 168 CB PRO A 21 13.963 0.419 -1.477 1.00 0.00 C ATOM 169 CG PRO A 21 14.627 -0.890 -1.937 1.00 0.00 C ATOM 170 CD PRO A 21 13.741 -1.401 -3.077 1.00 0.00 C ATOM 0 HA PRO A 21 12.728 1.731 -2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.656 1.070 -0.945 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.117 0.243 -0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.648 -0.717 -2.277 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.680 -1.613 -1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.337 -1.909 -3.835 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.011 -2.122 -2.709 1.00 0.00 H new ATOM 171 N ASN A 22 14.736 1.806 -4.914 1.00 0.00 N ATOM 172 CA ASN A 22 15.877 2.316 -5.666 1.00 0.00 C ATOM 173 C ASN A 22 15.754 3.806 -5.880 1.00 0.00 C ATOM 174 O ASN A 22 16.678 4.592 -5.632 1.00 0.00 O ATOM 175 CB ASN A 22 15.955 1.582 -7.039 1.00 0.00 C ATOM 176 CG ASN A 22 16.596 2.345 -8.202 1.00 0.00 C ATOM 177 OD1 ASN A 22 17.760 2.176 -8.533 1.00 0.00 O ATOM 178 ND2 ASN A 22 15.866 3.194 -8.875 1.00 0.00 N ATOM 0 H ASN A 22 13.963 1.495 -5.502 1.00 0.00 H new ATOM 0 HA ASN A 22 16.789 2.130 -5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 22 16.510 0.655 -6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.942 1.305 -7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.270 3.702 -9.662 1.00 0.00 H new ATOM 0 HD22 ASN A 22 14.892 3.349 -8.614 1.00 0.00 H new ATOM 179 N ALA A 23 14.462 4.262 -6.447 1.00 0.00 N ATOM 180 CA ALA A 23 14.221 5.646 -6.838 1.00 0.00 C ATOM 181 C ALA A 23 13.976 6.507 -5.615 1.00 0.00 C ATOM 182 O ALA A 23 14.848 7.248 -5.144 1.00 0.00 O ATOM 183 CB ALA A 23 13.033 5.656 -7.814 1.00 0.00 C ATOM 0 H ALA A 23 13.665 3.644 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 23 15.092 6.070 -7.337 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.827 6.680 -8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.275 5.052 -8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.153 5.243 -7.320 1.00 0.00 H new ATOM 184 N ASP A 24 12.632 6.385 -5.011 1.00 0.00 N ATOM 185 CA ASP A 24 12.172 7.262 -3.939 1.00 0.00 C ATOM 186 C ASP A 24 12.583 6.727 -2.587 1.00 0.00 C ATOM 187 O ASP A 24 11.927 5.847 -2.013 1.00 0.00 O ATOM 188 CB ASP A 24 10.636 7.460 -4.033 1.00 0.00 C ATOM 189 CG ASP A 24 10.147 8.620 -4.912 1.00 0.00 C ATOM 190 OD1 ASP A 24 10.007 9.762 -4.499 1.00 0.00 O ATOM 191 OD2 ASP A 24 9.913 8.241 -6.206 1.00 0.00 O ATOM 0 H ASP A 24 11.946 5.688 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 24 12.646 8.236 -4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.196 6.537 -4.410 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.249 7.609 -3.025 1.00 0.00 H new ATOM 192 N GLY A 25 13.776 7.346 -1.972 1.00 0.00 N ATOM 193 CA GLY A 25 14.428 6.846 -0.769 1.00 0.00 C ATOM 194 C GLY A 25 13.529 6.039 0.136 1.00 0.00 C ATOM 195 O GLY A 25 13.812 4.874 0.461 1.00 0.00 O ATOM 0 H GLY A 25 14.226 8.176 -2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.278 6.229 -1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.825 7.691 -0.207 1.00 0.00 H new ATOM 196 N GLU A 26 12.278 6.686 0.586 1.00 0.00 N ATOM 197 CA GLU A 26 11.303 5.982 1.416 1.00 0.00 C ATOM 198 C GLU A 26 9.934 6.604 1.287 1.00 0.00 C ATOM 199 O GLU A 26 9.195 6.755 2.274 1.00 0.00 O ATOM 200 CB GLU A 26 11.802 6.011 2.888 1.00 0.00 C ATOM 201 CG GLU A 26 10.898 5.338 3.973 1.00 0.00 C ATOM 202 CD GLU A 26 11.575 4.605 5.134 1.00 0.00 C ATOM 203 OE1 GLU A 26 12.054 5.436 6.101 1.00 0.00 O ATOM 204 OE2 GLU A 26 11.676 3.386 5.185 1.00 0.00 O ATOM 0 H GLU A 26 12.018 7.644 0.353 1.00 0.00 H new ATOM 0 HA GLU A 26 11.211 4.948 1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.780 5.531 2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.949 7.053 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.258 6.111 4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.246 4.626 3.467 1.00 0.00 H new ATOM 205 N PHE A 27 9.504 7.003 -0.072 1.00 0.00 N ATOM 206 CA PHE A 27 8.270 7.769 -0.283 1.00 0.00 C ATOM 207 C PHE A 27 7.058 6.980 0.147 1.00 0.00 C ATOM 208 O PHE A 27 7.086 5.732 0.185 1.00 0.00 O ATOM 209 CB PHE A 27 8.140 8.173 -1.780 1.00 0.00 C ATOM 210 CG PHE A 27 7.909 7.058 -2.814 1.00 0.00 C ATOM 211 CD1 PHE A 27 8.179 5.727 -2.486 1.00 0.00 C ATOM 212 CD2 PHE A 27 7.435 7.370 -4.093 1.00 0.00 C ATOM 213 CE1 PHE A 27 7.980 4.718 -3.422 1.00 0.00 C ATOM 214 CE2 PHE A 27 7.235 6.359 -5.029 1.00 0.00 C ATOM 215 CZ PHE A 27 7.508 5.034 -4.694 1.00 0.00 C ATOM 0 H PHE A 27 10.018 6.781 -0.925 1.00 0.00 H new ATOM 0 HA PHE A 27 8.323 8.670 0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.316 8.881 -1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.048 8.706 -2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.544 5.480 -1.500 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.224 8.396 -4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.191 3.691 -3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.868 6.602 -6.015 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.353 4.251 -5.422 1.00 0.00 H new ATOM 216 N VAL A 28 5.844 7.721 0.563 1.00 0.00 N ATOM 217 CA VAL A 28 4.646 7.054 1.071 1.00 0.00 C ATOM 218 C VAL A 28 3.537 7.052 0.042 1.00 0.00 C ATOM 219 O VAL A 28 3.518 7.837 -0.915 1.00 0.00 O ATOM 220 CB VAL A 28 4.163 7.740 2.409 1.00 0.00 C ATOM 221 CG1 VAL A 28 4.240 6.867 3.695 1.00 0.00 C ATOM 222 CG2 VAL A 28 4.935 9.031 2.771 1.00 0.00 C ATOM 0 H VAL A 28 5.765 8.737 0.522 1.00 0.00 H new ATOM 0 HA VAL A 28 4.902 6.016 1.282 1.00 0.00 H new ATOM 0 HB VAL A 28 3.123 7.936 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.883 7.444 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.618 5.980 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.273 6.565 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.543 9.440 3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.993 8.800 2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.813 9.764 1.973 1.00 0.00 H new ATOM 223 N PHE A 29 2.455 6.062 0.265 1.00 0.00 N ATOM 224 CA PHE A 29 1.279 5.967 -0.594 1.00 0.00 C ATOM 225 C PHE A 29 0.042 5.703 0.235 1.00 0.00 C ATOM 226 O PHE A 29 0.048 4.856 1.147 1.00 0.00 O ATOM 227 CB PHE A 29 1.459 4.811 -1.626 1.00 0.00 C ATOM 228 CG PHE A 29 0.920 3.424 -1.244 1.00 0.00 C ATOM 229 CD1 PHE A 29 -0.414 3.085 -1.482 1.00 0.00 C ATOM 230 CD2 PHE A 29 1.790 2.468 -0.710 1.00 0.00 C ATOM 231 CE1 PHE A 29 -0.872 1.803 -1.185 1.00 0.00 C ATOM 232 CE2 PHE A 29 1.330 1.191 -0.408 1.00 0.00 C ATOM 233 CZ PHE A 29 -0.001 0.859 -0.645 1.00 0.00 C ATOM 0 H PHE A 29 2.462 5.387 1.029 1.00 0.00 H new ATOM 0 HA PHE A 29 1.164 6.913 -1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.978 5.114 -2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.524 4.711 -1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.091 3.817 -1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.824 2.723 -0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.903 1.541 -1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.004 0.458 0.010 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.359 -0.132 -0.410 1.00 0.00 H new ATOM 234 N ALA A 30 -1.159 6.515 -0.053 1.00 0.00 N ATOM 235 CA ALA A 30 -2.346 6.461 0.797 1.00 0.00 C ATOM 236 C ALA A 30 -3.574 6.115 -0.012 1.00 0.00 C ATOM 237 O ALA A 30 -4.156 6.959 -0.707 1.00 0.00 O ATOM 238 CB ALA A 30 -2.467 7.814 1.518 1.00 0.00 C ATOM 0 H ALA A 30 -1.238 7.152 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.255 5.671 1.542 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.346 7.806 2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.576 7.985 2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.565 8.611 0.781 1.00 0.00 H new ATOM 239 N VAL A 31 -4.060 4.723 0.097 1.00 0.00 N ATOM 240 CA VAL A 31 -5.298 4.285 -0.541 1.00 0.00 C ATOM 241 C VAL A 31 -6.475 4.497 0.384 1.00 0.00 C ATOM 242 O VAL A 31 -6.696 3.726 1.331 1.00 0.00 O ATOM 243 CB VAL A 31 -5.175 2.769 -0.966 1.00 0.00 C ATOM 244 CG1 VAL A 31 -4.776 1.767 0.155 1.00 0.00 C ATOM 245 CG2 VAL A 31 -6.462 2.179 -1.592 1.00 0.00 C ATOM 0 H VAL A 31 -3.573 3.991 0.614 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.467 4.882 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.366 2.850 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.724 0.760 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.803 2.043 0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.521 1.795 0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.293 1.135 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.279 2.244 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.722 2.742 -2.488 1.00 0.00 H new ATOM 246 N ARG A 32 -7.303 5.695 0.132 1.00 0.00 N ATOM 247 CA ARG A 32 -8.386 6.102 1.024 1.00 0.00 C ATOM 248 C ARG A 32 -9.701 5.453 0.664 1.00 0.00 C ATOM 249 O ARG A 32 -10.698 6.135 0.336 1.00 0.00 O ATOM 250 CB ARG A 32 -8.500 7.653 0.984 1.00 0.00 C ATOM 251 CG ARG A 32 -9.440 8.265 2.056 1.00 0.00 C ATOM 252 CD ARG A 32 -9.322 9.792 2.141 1.00 0.00 C ATOM 253 NE ARG A 32 -10.046 10.383 0.986 1.00 0.00 N ATOM 254 CZ ARG A 32 -9.717 11.507 0.365 1.00 0.00 C ATOM 255 NH1 ARG A 32 -8.704 12.255 0.689 1.00 0.00 N ATOM 256 NH2 ARG A 32 -10.454 11.877 -0.622 1.00 0.00 N ATOM 0 H ARG A 32 -7.174 6.309 -0.672 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.152 5.768 2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.505 8.080 1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.854 7.952 -0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.471 7.996 1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.207 7.832 3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.744 10.153 3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.274 10.093 2.126 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.865 9.882 0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.102 11.988 1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.512 13.108 0.164 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.256 11.312 -0.899 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.236 12.736 -1.127 1.00 0.00 H new ATOM 257 N THR A 33 -9.774 3.976 0.671 1.00 0.00 N ATOM 258 CA THR A 33 -11.040 3.260 0.509 1.00 0.00 C ATOM 259 C THR A 33 -11.306 2.372 1.702 1.00 0.00 C ATOM 260 O THR A 33 -12.425 2.301 2.228 1.00 0.00 O ATOM 261 CB THR A 33 -11.044 2.430 -0.818 1.00 0.00 C ATOM 262 OG1 THR A 33 -12.351 2.395 -1.380 1.00 0.00 O ATOM 263 CG2 THR A 33 -10.634 0.946 -0.701 1.00 0.00 C ATOM 0 H THR A 33 -8.962 3.369 0.787 1.00 0.00 H new ATOM 0 HA THR A 33 -11.842 3.995 0.448 1.00 0.00 H new ATOM 0 HB THR A 33 -10.301 2.950 -1.422 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.336 1.874 -2.210 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.676 0.478 -1.685 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.619 0.879 -0.310 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.318 0.432 -0.025 1.00 0.00 H new ATOM 264 N THR A 34 -10.163 1.565 2.182 1.00 0.00 N ATOM 265 CA THR A 34 -10.212 0.796 3.422 1.00 0.00 C ATOM 266 C THR A 34 -9.511 1.532 4.541 1.00 0.00 C ATOM 267 O THR A 34 -9.740 1.277 5.731 1.00 0.00 O ATOM 268 CB THR A 34 -9.584 -0.624 3.216 1.00 0.00 C ATOM 269 OG1 THR A 34 -10.168 -1.269 2.091 1.00 0.00 O ATOM 270 CG2 THR A 34 -9.766 -1.628 4.374 1.00 0.00 C ATOM 0 H THR A 34 -9.276 1.493 1.684 1.00 0.00 H new ATOM 0 HA THR A 34 -11.258 0.671 3.702 1.00 0.00 H new ATOM 0 HB THR A 34 -8.523 -0.399 3.112 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.764 -2.154 1.975 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.289 -2.573 4.114 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.308 -1.227 5.278 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.829 -1.794 4.548 1.00 0.00 H new ATOM 271 N GLY A 35 -8.567 2.597 4.136 1.00 0.00 N ATOM 272 CA GLY A 35 -7.950 3.502 5.100 1.00 0.00 C ATOM 273 C GLY A 35 -6.607 3.013 5.584 1.00 0.00 C ATOM 274 O GLY A 35 -6.411 2.738 6.783 1.00 0.00 O ATOM 0 H GLY A 35 -8.289 2.767 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.831 4.485 4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.616 3.625 5.954 1.00 0.00 H new ATOM 275 N ILE A 36 -5.537 2.850 4.577 1.00 0.00 N ATOM 276 CA ILE A 36 -4.155 2.562 4.959 1.00 0.00 C ATOM 277 C ILE A 36 -3.194 3.428 4.180 1.00 0.00 C ATOM 278 O ILE A 36 -3.316 3.604 2.956 1.00 0.00 O ATOM 279 CB ILE A 36 -3.813 1.021 4.860 1.00 0.00 C ATOM 280 CG1 ILE A 36 -3.150 0.536 3.531 1.00 0.00 C ATOM 281 CG2 ILE A 36 -5.050 0.109 5.140 1.00 0.00 C ATOM 282 CD1 ILE A 36 -2.000 -0.482 3.685 1.00 0.00 C ATOM 0 H ILE A 36 -5.687 2.926 3.571 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.039 2.818 6.012 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.062 0.918 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.922 0.091 2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.769 1.407 2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.756 -0.938 5.058 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.425 0.303 6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.833 0.324 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.615 -0.748 2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.200 -0.040 4.280 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.371 -1.377 4.184 1.00 0.00 H new ATOM 283 N PHE A 37 -2.127 4.093 4.956 1.00 0.00 N ATOM 284 CA PHE A 37 -1.015 4.818 4.315 1.00 0.00 C ATOM 285 C PHE A 37 0.274 4.082 4.587 1.00 0.00 C ATOM 286 O PHE A 37 0.684 3.954 5.771 1.00 0.00 O ATOM 287 CB PHE A 37 -0.938 6.276 4.855 1.00 0.00 C ATOM 288 CG PHE A 37 -0.067 6.584 6.082 1.00 0.00 C ATOM 289 CD1 PHE A 37 1.310 6.780 5.951 1.00 0.00 C ATOM 290 CD2 PHE A 37 -0.659 6.674 7.347 1.00 0.00 C ATOM 291 CE1 PHE A 37 2.085 7.065 7.072 1.00 0.00 C ATOM 292 CE2 PHE A 37 0.116 6.964 8.465 1.00 0.00 C ATOM 293 CZ PHE A 37 1.488 7.160 8.328 1.00 0.00 C ATOM 0 H PHE A 37 -2.090 4.094 5.975 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.182 4.866 3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.588 6.908 4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.955 6.592 5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.774 6.710 4.978 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.722 6.518 7.456 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.150 7.213 6.968 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.346 7.037 9.439 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.090 7.386 9.196 1.00 0.00 H new ATOM 294 N CYS A 38 1.026 3.474 3.470 1.00 0.00 N ATOM 295 CA CYS A 38 2.157 2.577 3.692 1.00 0.00 C ATOM 296 C CYS A 38 3.320 2.906 2.794 1.00 0.00 C ATOM 297 O CYS A 38 3.176 3.609 1.777 1.00 0.00 O ATOM 298 CB CYS A 38 1.659 1.127 3.437 1.00 0.00 C ATOM 299 SG CYS A 38 2.985 -0.073 3.718 1.00 0.00 S ATOM 0 H CYS A 38 0.809 3.637 2.487 1.00 0.00 H new ATOM 0 HA CYS A 38 2.518 2.689 4.714 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.818 0.906 4.095 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.294 1.039 2.414 1.00 0.00 H new ATOM 300 N ARG A 39 4.642 2.391 3.198 1.00 0.00 N ATOM 301 CA ARG A 39 5.779 2.419 2.260 1.00 0.00 C ATOM 302 C ARG A 39 5.548 1.309 1.252 1.00 0.00 C ATOM 303 O ARG A 39 5.700 0.120 1.562 1.00 0.00 O ATOM 304 CB ARG A 39 7.105 2.284 3.043 1.00 0.00 C ATOM 305 CG ARG A 39 8.390 2.584 2.225 1.00 0.00 C ATOM 306 CD ARG A 39 8.869 1.375 1.411 1.00 0.00 C ATOM 307 NE ARG A 39 9.378 0.346 2.353 1.00 0.00 N ATOM 308 CZ ARG A 39 10.593 0.322 2.885 1.00 0.00 C ATOM 309 NH1 ARG A 39 11.514 1.210 2.652 1.00 0.00 N ATOM 310 NH2 ARG A 39 10.873 -0.647 3.682 1.00 0.00 N ATOM 0 H ARG A 39 4.852 1.997 4.115 1.00 0.00 H new ATOM 0 HA ARG A 39 5.853 3.363 1.721 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.073 2.958 3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.173 1.270 3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.200 3.419 1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.183 2.897 2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.051 0.971 0.815 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.653 1.673 0.715 1.00 0.00 H new ATOM 0 HE ARG A 39 8.740 -0.406 2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.323 1.990 2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.427 1.126 3.098 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.172 -1.360 3.884 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.796 -0.703 4.112 1.00 0.00 H new ATOM 311 N PRO A 40 5.165 1.724 -0.108 1.00 0.00 N ATOM 312 CA PRO A 40 4.807 0.804 -1.291 1.00 0.00 C ATOM 313 C PRO A 40 5.232 -0.636 -1.199 1.00 0.00 C ATOM 314 O PRO A 40 6.374 -0.995 -1.550 1.00 0.00 O ATOM 315 CB PRO A 40 5.443 1.513 -2.492 1.00 0.00 C ATOM 316 CG PRO A 40 5.077 2.972 -2.166 1.00 0.00 C ATOM 317 CD PRO A 40 5.036 3.105 -0.639 1.00 0.00 C ATOM 0 HA PRO A 40 3.725 0.685 -1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.520 1.356 -2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.024 1.181 -3.442 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.812 3.656 -2.591 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.111 3.231 -2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 40 5.847 3.739 -0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.103 3.564 -0.312 1.00 0.00 H new ATOM 318 N SER A 41 4.258 -1.615 -0.640 1.00 0.00 N ATOM 319 CA SER A 41 4.577 -3.035 -0.548 1.00 0.00 C ATOM 320 C SER A 41 3.414 -3.938 -0.225 1.00 0.00 C ATOM 321 O SER A 41 3.075 -4.862 -0.992 1.00 0.00 O ATOM 322 CB SER A 41 5.747 -3.258 0.456 1.00 0.00 C ATOM 323 OG SER A 41 5.561 -2.565 1.692 1.00 0.00 O ATOM 0 H SER A 41 3.331 -1.366 -0.295 1.00 0.00 H new ATOM 0 HA SER A 41 4.879 -3.328 -1.554 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.849 -4.325 0.656 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.680 -2.929 -0.002 1.00 0.00 H new ATOM 0 HG SER A 41 5.535 -1.600 1.525 1.00 0.00 H new ATOM 324 N CYS A 42 2.645 -3.675 1.016 1.00 0.00 N ATOM 325 CA CYS A 42 1.655 -4.562 1.606 1.00 0.00 C ATOM 326 C CYS A 42 1.452 -5.853 0.837 1.00 0.00 C ATOM 327 O CYS A 42 0.549 -6.030 0.013 1.00 0.00 O ATOM 328 CB CYS A 42 0.345 -3.833 1.958 1.00 0.00 C ATOM 329 SG CYS A 42 0.523 -2.106 2.452 1.00 0.00 S ATOM 0 H CYS A 42 2.770 -2.818 1.554 1.00 0.00 H new ATOM 0 HA CYS A 42 2.078 -4.885 2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.319 -3.879 1.095 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.146 -4.375 2.766 1.00 0.00 H new ATOM 330 N ARG A 43 2.443 -6.917 1.138 1.00 0.00 N ATOM 331 CA ARG A 43 2.398 -8.299 0.679 1.00 0.00 C ATOM 332 C ARG A 43 1.222 -8.643 -0.189 1.00 0.00 C ATOM 333 O ARG A 43 1.329 -8.708 -1.432 1.00 0.00 O ATOM 334 CB ARG A 43 2.459 -9.230 1.933 1.00 0.00 C ATOM 335 CG ARG A 43 2.753 -8.507 3.271 1.00 0.00 C ATOM 336 CD ARG A 43 2.330 -9.327 4.496 1.00 0.00 C ATOM 337 NE ARG A 43 3.483 -10.158 4.926 1.00 0.00 N ATOM 338 CZ ARG A 43 4.354 -9.836 5.873 1.00 0.00 C ATOM 339 NH1 ARG A 43 4.318 -8.732 6.559 1.00 0.00 N ATOM 340 NH2 ARG A 43 5.294 -10.677 6.125 1.00 0.00 N ATOM 0 H ARG A 43 3.262 -6.732 1.718 1.00 0.00 H new ATOM 0 HA ARG A 43 3.259 -8.449 0.028 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.509 -9.756 2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.227 -9.985 1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.819 -8.291 3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.232 -7.549 3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.016 -8.666 5.304 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.477 -9.960 4.252 1.00 0.00 H new ATOM 0 HE ARG A 43 3.616 -11.052 4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.584 -8.046 6.383 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.023 -8.552 7.273 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.348 -11.552 5.604 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.985 -10.469 6.846 1.00 0.00 H new ATOM 341 N ALA A 44 -0.059 -8.944 0.483 1.00 0.00 N ATOM 342 CA ALA A 44 -1.207 -9.478 -0.234 1.00 0.00 C ATOM 343 C ALA A 44 -1.637 -8.537 -1.345 1.00 0.00 C ATOM 344 O ALA A 44 -1.045 -7.481 -1.591 1.00 0.00 O ATOM 345 CB ALA A 44 -2.340 -9.733 0.778 1.00 0.00 C ATOM 0 H ALA A 44 -0.221 -8.799 1.480 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.943 -10.421 -0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.210 -10.134 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.004 -10.449 1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.609 -8.796 1.266 1.00 0.00 H new ATOM 346 N ARG A 45 -2.803 -9.012 -2.137 1.00 0.00 N ATOM 347 CA ARG A 45 -3.392 -8.202 -3.198 1.00 0.00 C ATOM 348 C ARG A 45 -3.709 -6.811 -2.690 1.00 0.00 C ATOM 349 O ARG A 45 -4.779 -6.551 -2.126 1.00 0.00 O ATOM 350 CB ARG A 45 -4.655 -8.919 -3.746 1.00 0.00 C ATOM 351 CG ARG A 45 -5.681 -9.361 -2.670 1.00 0.00 C ATOM 352 CD ARG A 45 -7.129 -9.070 -3.085 1.00 0.00 C ATOM 353 NE ARG A 45 -7.901 -10.337 -3.014 1.00 0.00 N ATOM 354 CZ ARG A 45 -7.835 -11.328 -3.892 1.00 0.00 C ATOM 355 NH1 ARG A 45 -7.071 -11.328 -4.944 1.00 0.00 N ATOM 356 NH2 ARG A 45 -8.580 -12.356 -3.683 1.00 0.00 N ATOM 0 H ARG A 45 -3.258 -9.914 -1.995 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.679 -8.089 -4.015 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.155 -8.254 -4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.339 -9.798 -4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.568 -10.429 -2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.465 -8.847 -1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.569 -8.321 -2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.159 -8.664 -4.096 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.535 -10.454 -2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.469 -10.528 -5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.074 -12.128 -5.576 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.190 -12.386 -2.866 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.560 -13.141 -4.334 1.00 0.00 H new ATOM 357 N HIS A 46 -2.649 -5.797 -2.875 1.00 0.00 N ATOM 358 CA HIS A 46 -2.724 -4.467 -2.281 1.00 0.00 C ATOM 359 C HIS A 46 -3.799 -3.628 -2.932 1.00 0.00 C ATOM 360 O HIS A 46 -4.726 -4.136 -3.576 1.00 0.00 O ATOM 361 CB HIS A 46 -1.343 -3.821 -2.493 1.00 0.00 C ATOM 362 CG HIS A 46 -1.023 -3.627 -3.946 1.00 0.00 C ATOM 363 ND1 HIS A 46 -1.523 -4.389 -4.999 1.00 0.00 N ATOM 364 CD2 HIS A 46 -0.167 -2.634 -4.400 1.00 0.00 C ATOM 365 CE1 HIS A 46 -0.914 -3.779 -6.034 1.00 0.00 C ATOM 366 NE2 HIS A 46 -0.091 -2.730 -5.765 1.00 0.00 N ATOM 0 H HIS A 46 -1.805 -5.959 -3.424 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.981 -4.535 -1.224 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.313 -2.857 -1.985 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.577 -4.447 -2.035 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.349 -1.912 -3.785 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.075 -4.113 -7.048 1.00 0.00 H new ATOM 0 HE2 HIS A 46 0.448 -2.158 -6.416 1.00 0.00 H new ATOM 367 N ALA A 47 -3.697 -2.167 -2.720 1.00 0.00 N ATOM 368 CA ALA A 47 -4.745 -1.247 -3.152 1.00 0.00 C ATOM 369 C ALA A 47 -4.580 -0.891 -4.610 1.00 0.00 C ATOM 370 O ALA A 47 -3.553 -1.178 -5.241 1.00 0.00 O ATOM 371 CB ALA A 47 -4.695 -0.018 -2.228 1.00 0.00 C ATOM 0 H ALA A 47 -2.903 -1.714 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.729 -1.710 -3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.468 0.692 -2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.865 -0.330 -1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.717 0.457 -2.307 1.00 0.00 H new ATOM 372 N LEU A 48 -5.729 -0.213 -5.251 1.00 0.00 N ATOM 373 CA LEU A 48 -5.641 0.334 -6.603 1.00 0.00 C ATOM 374 C LEU A 48 -5.003 1.703 -6.583 1.00 0.00 C ATOM 375 O LEU A 48 -5.024 2.418 -5.571 1.00 0.00 O ATOM 376 CB LEU A 48 -7.042 0.365 -7.276 1.00 0.00 C ATOM 377 CG LEU A 48 -8.297 0.116 -6.396 1.00 0.00 C ATOM 378 CD1 LEU A 48 -8.446 1.235 -5.356 1.00 0.00 C ATOM 379 CD2 LEU A 48 -9.589 0.007 -7.224 1.00 0.00 C ATOM 0 H LEU A 48 -6.637 -0.085 -4.803 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.004 -0.318 -7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.159 1.339 -7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.043 -0.380 -8.072 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.147 -0.841 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.329 1.049 -4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.562 1.259 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.552 2.193 -5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.434 -0.167 -6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.747 0.934 -7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.503 -0.823 -7.925 1.00 0.00 H new ATOM 380 N ARG A 49 -4.382 2.163 -7.848 1.00 0.00 N ATOM 381 CA ARG A 49 -3.812 3.498 -7.985 1.00 0.00 C ATOM 382 C ARG A 49 -4.891 4.546 -8.134 1.00 0.00 C ATOM 383 O ARG A 49 -4.606 5.755 -8.198 1.00 0.00 O ATOM 384 CB ARG A 49 -2.860 3.535 -9.218 1.00 0.00 C ATOM 385 CG ARG A 49 -2.311 2.182 -9.734 1.00 0.00 C ATOM 386 CD ARG A 49 -2.750 1.865 -11.170 1.00 0.00 C ATOM 387 NE ARG A 49 -4.229 1.951 -11.255 1.00 0.00 N ATOM 388 CZ ARG A 49 -4.947 1.780 -12.358 1.00 0.00 C ATOM 389 NH1 ARG A 49 -4.445 1.519 -13.529 1.00 0.00 N ATOM 390 NH2 ARG A 49 -6.226 1.880 -12.255 1.00 0.00 N ATOM 0 H ARG A 49 -4.313 1.589 -8.688 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.250 3.724 -7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.390 4.019 -10.039 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.010 4.171 -8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.222 2.197 -9.688 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.647 1.384 -9.073 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.292 2.567 -11.867 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.414 0.868 -11.455 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.736 2.159 -10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.435 1.433 -13.643 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.061 1.400 -14.333 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.650 2.084 -11.350 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.815 1.756 -13.078 1.00 0.00 H new ATOM 391 N GLU A 50 -6.295 4.084 -8.162 1.00 0.00 N ATOM 392 CA GLU A 50 -7.409 4.948 -8.527 1.00 0.00 C ATOM 393 C GLU A 50 -7.828 5.940 -7.475 1.00 0.00 C ATOM 394 O GLU A 50 -8.386 7.016 -7.808 1.00 0.00 O ATOM 395 CB GLU A 50 -8.605 4.041 -8.952 1.00 0.00 C ATOM 396 CG GLU A 50 -9.858 4.017 -8.017 1.00 0.00 C ATOM 397 CD GLU A 50 -11.095 4.814 -8.440 1.00 0.00 C ATOM 398 OE1 GLU A 50 -11.320 5.127 -9.601 1.00 0.00 O ATOM 399 OE2 GLU A 50 -11.917 5.138 -7.404 1.00 0.00 O ATOM 0 H GLU A 50 -6.574 3.131 -7.928 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.068 5.575 -9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.931 4.356 -9.943 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.236 3.020 -9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.159 2.977 -7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.548 4.379 -7.037 1.00 0.00 H new ATOM 400 N ASN A 51 -7.540 5.644 -6.067 1.00 0.00 N ATOM 401 CA ASN A 51 -8.066 6.471 -4.953 1.00 0.00 C ATOM 402 C ASN A 51 -6.894 6.775 -4.037 1.00 0.00 C ATOM 403 O ASN A 51 -7.050 7.118 -2.856 1.00 0.00 O ATOM 404 CB ASN A 51 -9.038 5.546 -4.174 1.00 0.00 C ATOM 405 CG ASN A 51 -8.372 4.509 -3.240 1.00 0.00 C ATOM 406 OD1 ASN A 51 -7.699 3.581 -3.658 1.00 0.00 O ATOM 407 ND2 ASN A 51 -8.564 4.641 -1.956 1.00 0.00 N ATOM 0 H ASN A 51 -6.965 4.858 -5.764 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.547 7.388 -5.294 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.704 6.169 -3.578 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.659 5.013 -4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.152 3.970 -1.307 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.126 5.415 -1.601 1.00 0.00 H new ATOM 408 N VAL A 52 -5.553 6.578 -4.627 1.00 0.00 N ATOM 409 CA VAL A 52 -4.347 6.474 -3.808 1.00 0.00 C ATOM 410 C VAL A 52 -3.640 7.802 -3.753 1.00 0.00 C ATOM 411 O VAL A 52 -3.724 8.583 -4.746 1.00 0.00 O ATOM 412 CB VAL A 52 -3.416 5.331 -4.384 1.00 0.00 C ATOM 413 CG1 VAL A 52 -2.326 5.760 -5.402 1.00 0.00 C ATOM 414 CG2 VAL A 52 -2.664 4.535 -3.284 1.00 0.00 C ATOM 0 H VAL A 52 -5.383 6.503 -5.630 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.615 6.208 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.161 4.727 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.759 4.885 -5.718 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.799 6.219 -6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.653 6.479 -4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.045 3.768 -3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.032 5.214 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.387 4.063 -2.618 1.00 0.00 H new ATOM 415 N SER A 53 -2.844 8.190 -2.572 1.00 0.00 N ATOM 416 CA SER A 53 -2.170 9.487 -2.481 1.00 0.00 C ATOM 417 C SER A 53 -0.721 9.344 -2.083 1.00 0.00 C ATOM 418 O SER A 53 -0.379 8.723 -1.067 1.00 0.00 O ATOM 419 CB SER A 53 -2.939 10.449 -1.543 1.00 0.00 C ATOM 420 OG SER A 53 -2.322 11.738 -1.441 1.00 0.00 O ATOM 0 H SER A 53 -2.713 7.592 -1.756 1.00 0.00 H new ATOM 0 HA SER A 53 -2.174 9.930 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.959 10.568 -1.909 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.006 10.004 -0.550 1.00 0.00 H new ATOM 0 HG SER A 53 -2.848 12.306 -0.839 1.00 0.00 H new ATOM 421 N PHE A 54 0.271 10.022 -2.952 1.00 0.00 N ATOM 422 CA PHE A 54 1.706 9.825 -2.781 1.00 0.00 C ATOM 423 C PHE A 54 2.359 11.002 -2.090 1.00 0.00 C ATOM 424 O PHE A 54 2.161 12.174 -2.437 1.00 0.00 O ATOM 425 CB PHE A 54 2.399 9.612 -4.161 1.00 0.00 C ATOM 426 CG PHE A 54 1.821 8.511 -5.063 1.00 0.00 C ATOM 427 CD1 PHE A 54 0.445 8.411 -5.282 1.00 0.00 C ATOM 428 CD2 PHE A 54 2.685 7.599 -5.681 1.00 0.00 C ATOM 429 CE1 PHE A 54 -0.060 7.410 -6.108 1.00 0.00 C ATOM 430 CE2 PHE A 54 2.179 6.600 -6.504 1.00 0.00 C ATOM 431 CZ PHE A 54 0.807 6.505 -6.719 1.00 0.00 C ATOM 0 H PHE A 54 0.022 10.657 -3.710 1.00 0.00 H new ATOM 0 HA PHE A 54 1.829 8.939 -2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.363 10.554 -4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.451 9.388 -3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.228 9.111 -4.810 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.750 7.672 -5.517 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.124 7.335 -6.275 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.850 5.898 -6.976 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.414 5.730 -7.360 1.00 0.00 H new ATOM 432 N TYR A 55 3.276 10.669 -0.980 1.00 0.00 N ATOM 433 CA TYR A 55 4.121 11.642 -0.286 1.00 0.00 C ATOM 434 C TYR A 55 5.572 11.231 -0.355 1.00 0.00 C ATOM 435 O TYR A 55 5.884 10.071 -0.717 1.00 0.00 O ATOM 436 CB TYR A 55 3.721 11.672 1.225 1.00 0.00 C ATOM 437 CG TYR A 55 2.242 11.359 1.520 1.00 0.00 C ATOM 438 CD1 TYR A 55 1.777 10.050 1.648 1.00 0.00 C ATOM 439 CD2 TYR A 55 1.340 12.431 1.655 1.00 0.00 C ATOM 440 CE1 TYR A 55 0.431 9.808 1.909 1.00 0.00 C ATOM 441 CE2 TYR A 55 -0.004 12.182 1.916 1.00 0.00 C ATOM 442 CZ TYR A 55 -0.457 10.872 2.042 1.00 0.00 C ATOM 443 OH TYR A 55 -1.779 10.633 2.294 1.00 0.00 O ATOM 0 H TYR A 55 3.380 9.720 -0.620 1.00 0.00 H new ATOM 0 HA TYR A 55 3.985 12.614 -0.759 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.341 10.955 1.763 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.954 12.658 1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.463 9.222 1.544 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.691 13.447 1.556 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.075 8.793 2.008 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.695 13.005 2.021 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.259 11.485 2.359 1.00 0.00 H new ATOM 444 N ALA A 56 6.638 12.206 -0.033 1.00 0.00 N ATOM 445 CA ALA A 56 8.043 11.822 0.109 1.00 0.00 C ATOM 446 C ALA A 56 8.336 11.181 1.445 1.00 0.00 C ATOM 447 O ALA A 56 9.278 10.370 1.570 1.00 0.00 O ATOM 448 CB ALA A 56 8.895 13.080 -0.142 1.00 0.00 C ATOM 0 H ALA A 56 6.465 13.201 0.110 1.00 0.00 H new ATOM 0 HA ALA A 56 8.293 11.054 -0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.951 12.830 -0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.703 13.455 -1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.635 13.847 0.587 1.00 0.00 H new ATOM 449 N ASN A 57 7.506 11.571 2.605 1.00 0.00 N ATOM 450 CA ASN A 57 7.709 10.986 3.930 1.00 0.00 C ATOM 451 C ASN A 57 6.406 10.836 4.679 1.00 0.00 C ATOM 452 O ASN A 57 5.466 11.627 4.519 1.00 0.00 O ATOM 453 CB ASN A 57 8.710 11.862 4.738 1.00 0.00 C ATOM 454 CG ASN A 57 8.907 11.509 6.217 1.00 0.00 C ATOM 455 OD1 ASN A 57 8.655 12.297 7.117 1.00 0.00 O ATOM 456 ND2 ASN A 57 9.375 10.330 6.523 1.00 0.00 N ATOM 0 H ASN A 57 6.754 12.258 2.560 1.00 0.00 H new ATOM 0 HA ASN A 57 8.124 9.986 3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.681 11.809 4.245 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.378 12.898 4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.525 10.079 7.500 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.591 9.660 5.785 1.00 0.00 H new ATOM 457 N ALA A 58 6.302 9.678 5.595 1.00 0.00 N ATOM 458 CA ALA A 58 5.106 9.412 6.389 1.00 0.00 C ATOM 459 C ALA A 58 4.636 10.643 7.127 1.00 0.00 C ATOM 460 O ALA A 58 3.429 10.857 7.316 1.00 0.00 O ATOM 461 CB ALA A 58 5.420 8.239 7.337 1.00 0.00 C ATOM 0 H ALA A 58 7.050 8.998 5.730 1.00 0.00 H new ATOM 0 HA ALA A 58 4.277 9.137 5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.543 8.017 7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.688 7.360 6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.252 8.509 7.987 1.00 0.00 H new ATOM 462 N SER A 59 5.679 11.555 7.644 1.00 0.00 N ATOM 463 CA SER A 59 5.374 12.684 8.518 1.00 0.00 C ATOM 464 C SER A 59 4.142 13.427 8.058 1.00 0.00 C ATOM 465 O SER A 59 3.255 13.782 8.847 1.00 0.00 O ATOM 466 CB SER A 59 6.594 13.635 8.634 1.00 0.00 C ATOM 467 OG SER A 59 7.463 13.299 9.721 1.00 0.00 O ATOM 0 H SER A 59 6.671 11.456 7.426 1.00 0.00 H new ATOM 0 HA SER A 59 5.159 12.287 9.510 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.159 13.608 7.702 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.240 14.658 8.762 1.00 0.00 H new ATOM 0 HG SER A 59 8.246 12.820 9.378 1.00 0.00 H new ATOM 468 N GLU A 60 4.074 13.745 6.614 1.00 0.00 N ATOM 469 CA GLU A 60 2.930 14.425 6.020 1.00 0.00 C ATOM 470 C GLU A 60 1.683 13.575 5.955 1.00 0.00 C ATOM 471 O GLU A 60 0.561 14.089 6.162 1.00 0.00 O ATOM 472 CB GLU A 60 3.336 14.924 4.602 1.00 0.00 C ATOM 473 CG GLU A 60 4.113 13.917 3.692 1.00 0.00 C ATOM 474 CD GLU A 60 5.228 14.457 2.795 1.00 0.00 C ATOM 475 OE1 GLU A 60 4.795 14.874 1.572 1.00 0.00 O ATOM 476 OE2 GLU A 60 6.399 14.509 3.145 1.00 0.00 O ATOM 0 H GLU A 60 4.812 13.513 5.949 1.00 0.00 H new ATOM 0 HA GLU A 60 2.670 15.263 6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.430 15.226 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.949 15.817 4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.547 13.153 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.385 13.418 3.052 1.00 0.00 H new ATOM 477 N ALA A 61 1.806 12.146 5.596 1.00 0.00 N ATOM 478 CA ALA A 61 0.654 11.251 5.570 1.00 0.00 C ATOM 479 C ALA A 61 -0.037 11.109 6.904 1.00 0.00 C ATOM 480 O ALA A 61 -1.270 10.886 6.950 1.00 0.00 O ATOM 481 CB ALA A 61 1.110 9.902 4.990 1.00 0.00 C ATOM 0 H ALA A 61 2.688 11.699 5.347 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.113 11.688 4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.265 9.214 4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.493 10.051 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.896 9.483 5.618 1.00 0.00 H new ATOM 482 N LEU A 62 0.763 11.187 8.145 1.00 0.00 N ATOM 483 CA LEU A 62 0.132 11.235 9.465 1.00 0.00 C ATOM 484 C LEU A 62 -0.422 12.613 9.736 1.00 0.00 C ATOM 485 O LEU A 62 -1.521 12.770 10.295 1.00 0.00 O ATOM 486 CB LEU A 62 1.093 10.766 10.590 1.00 0.00 C ATOM 487 CG LEU A 62 2.603 11.116 10.517 1.00 0.00 C ATOM 488 CD1 LEU A 62 2.986 12.045 11.677 1.00 0.00 C ATOM 489 CD2 LEU A 62 3.503 9.868 10.538 1.00 0.00 C ATOM 0 H LEU A 62 1.783 11.212 8.164 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.700 10.531 9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.712 11.167 11.529 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.015 9.681 10.652 1.00 0.00 H new ATOM 0 HG LEU A 62 2.765 11.619 9.564 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.048 12.284 11.616 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.403 12.964 11.615 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.780 11.548 12.625 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.548 10.172 10.485 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.333 9.313 11.460 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.266 9.234 9.684 1.00 0.00 H new ATOM 490 N ALA A 63 0.420 13.764 9.348 1.00 0.00 N ATOM 491 CA ALA A 63 -0.091 15.136 9.386 1.00 0.00 C ATOM 492 C ALA A 63 -1.370 15.244 8.590 1.00 0.00 C ATOM 493 O ALA A 63 -2.236 16.090 8.850 1.00 0.00 O ATOM 494 CB ALA A 63 1.016 16.074 8.876 1.00 0.00 C ATOM 0 H ALA A 63 1.388 13.683 9.036 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.346 15.430 10.404 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.658 17.103 8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.894 15.983 9.516 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.282 15.801 7.855 1.00 0.00 H new ATOM 495 N ALA A 64 -1.541 14.257 7.498 1.00 0.00 N ATOM 496 CA ALA A 64 -2.792 14.119 6.759 1.00 0.00 C ATOM 497 C ALA A 64 -3.863 13.566 7.686 1.00 0.00 C ATOM 498 O ALA A 64 -5.033 13.963 7.671 1.00 0.00 O ATOM 499 CB ALA A 64 -2.527 13.209 5.550 1.00 0.00 C ATOM 0 H ALA A 64 -0.806 13.618 7.195 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.155 15.079 6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.447 13.087 4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.762 13.659 4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.184 12.234 5.897 1.00 0.00 H new ATOM 500 N GLY A 65 -3.377 12.537 8.639 1.00 0.00 N ATOM 501 CA GLY A 65 -4.220 12.012 9.710 1.00 0.00 C ATOM 502 C GLY A 65 -4.678 10.607 9.349 1.00 0.00 C ATOM 503 O GLY A 65 -5.802 10.180 9.638 1.00 0.00 O ATOM 0 H GLY A 65 -2.440 12.136 8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.667 11.996 10.649 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.083 12.661 9.860 1.00 0.00 H new ATOM 504 N PHE A 66 -3.691 9.807 8.589 1.00 0.00 N ATOM 505 CA PHE A 66 -4.018 8.514 8.001 1.00 0.00 C ATOM 506 C PHE A 66 -3.449 7.367 8.796 1.00 0.00 C ATOM 507 O PHE A 66 -2.838 7.569 9.867 1.00 0.00 O ATOM 508 CB PHE A 66 -3.478 8.456 6.536 1.00 0.00 C ATOM 509 CG PHE A 66 -4.252 7.530 5.587 1.00 0.00 C ATOM 510 CD1 PHE A 66 -5.562 7.156 5.925 1.00 0.00 C ATOM 511 CD2 PHE A 66 -3.678 7.041 4.414 1.00 0.00 C ATOM 512 CE1 PHE A 66 -6.282 6.303 5.098 1.00 0.00 C ATOM 513 CE2 PHE A 66 -4.401 6.185 3.586 1.00 0.00 C ATOM 514 CZ PHE A 66 -5.699 5.816 3.931 1.00 0.00 C ATOM 0 H PHE A 66 -2.729 10.104 8.429 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.103 8.412 8.009 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.489 9.464 6.122 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.437 8.134 6.563 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.012 7.533 6.832 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.671 7.326 4.147 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.291 6.019 5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.955 5.808 2.677 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.256 5.149 3.290 1.00 0.00 H new ATOM 515 N ARG A 67 -3.607 5.999 8.254 1.00 0.00 N ATOM 516 CA ARG A 67 -3.243 4.822 9.044 1.00 0.00 C ATOM 517 C ARG A 67 -1.860 4.310 8.724 1.00 0.00 C ATOM 518 O ARG A 67 -1.612 3.678 7.690 1.00 0.00 O ATOM 519 CB ARG A 67 -4.321 3.720 8.858 1.00 0.00 C ATOM 520 CG ARG A 67 -4.077 2.429 9.686 1.00 0.00 C ATOM 521 CD ARG A 67 -3.022 2.628 10.781 1.00 0.00 C ATOM 522 NE ARG A 67 -3.161 1.533 11.774 1.00 0.00 N ATOM 523 CZ ARG A 67 -3.682 1.656 12.988 1.00 0.00 C ATOM 524 NH1 ARG A 67 -4.152 2.765 13.476 1.00 0.00 N ATOM 525 NH2 ARG A 67 -3.722 0.603 13.726 1.00 0.00 N ATOM 0 H ARG A 67 -3.969 5.790 7.323 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.211 5.117 10.093 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.293 4.132 9.130 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.371 3.454 7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.014 2.110 10.142 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.758 1.628 9.019 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.022 2.622 10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.155 3.596 11.264 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.828 0.609 11.500 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.135 3.617 12.915 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.538 2.784 14.420 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.361 -0.283 13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.114 0.654 14.666 1.00 0.00 H new ATOM 526 N PRO A 68 -0.815 4.586 9.740 1.00 0.00 N ATOM 527 CA PRO A 68 0.658 4.175 9.678 1.00 0.00 C ATOM 528 C PRO A 68 0.900 2.714 9.356 1.00 0.00 C ATOM 529 O PRO A 68 0.568 1.826 10.167 1.00 0.00 O ATOM 530 CB PRO A 68 1.230 4.439 11.074 1.00 0.00 C ATOM 531 CG PRO A 68 0.406 5.665 11.495 1.00 0.00 C ATOM 532 CD PRO A 68 -1.009 5.323 11.015 1.00 0.00 C ATOM 0 HA PRO A 68 1.125 4.744 8.874 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.086 3.593 11.746 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.299 4.648 11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.438 5.820 12.573 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.778 6.578 11.031 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.537 4.712 11.747 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.603 6.224 10.863 1.00 0.00 H new ATOM 533 N CYS A 69 1.568 2.369 8.084 1.00 0.00 N ATOM 534 CA CYS A 69 2.014 1.013 7.741 1.00 0.00 C ATOM 535 C CYS A 69 3.484 1.047 7.372 1.00 0.00 C ATOM 536 O CYS A 69 3.920 1.397 6.268 1.00 0.00 O ATOM 537 CB CYS A 69 1.065 0.473 6.659 1.00 0.00 C ATOM 538 SG CYS A 69 1.184 -1.304 6.386 1.00 0.00 S ATOM 0 H CYS A 69 1.764 3.057 7.357 1.00 0.00 H new ATOM 0 HA CYS A 69 1.957 0.316 8.577 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.040 0.718 6.937 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.273 0.987 5.721 1.00 0.00 H new ATOM 539 N LYS A 70 4.409 0.663 8.483 1.00 0.00 N ATOM 540 CA LYS A 70 5.857 0.795 8.402 1.00 0.00 C ATOM 541 C LYS A 70 6.452 -0.305 7.554 1.00 0.00 C ATOM 542 O LYS A 70 6.585 -0.165 6.324 1.00 0.00 O ATOM 543 CB LYS A 70 6.467 0.783 9.831 1.00 0.00 C ATOM 544 CG LYS A 70 8.016 0.786 9.838 1.00 0.00 C ATOM 545 CD LYS A 70 8.655 1.089 11.196 1.00 0.00 C ATOM 546 CE LYS A 70 10.139 1.425 10.993 1.00 0.00 C ATOM 547 NZ LYS A 70 10.836 1.365 12.290 1.00 0.00 N ATOM 0 H LYS A 70 4.083 0.283 9.372 1.00 0.00 H new ATOM 0 HA LYS A 70 6.096 1.746 7.926 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.107 1.654 10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.110 -0.099 10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.368 -0.187 9.497 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.366 1.523 9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.143 1.924 11.674 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.552 0.230 11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.590 0.722 10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.242 2.419 10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.842 1.592 12.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.411 2.052 12.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.748 0.408 12.687 1.00 0.00 H new ATOM 548 N ARG A 71 6.901 -1.528 8.251 1.00 0.00 N ATOM 549 CA ARG A 71 7.308 -2.720 7.489 1.00 0.00 C ATOM 550 C ARG A 71 6.139 -3.128 6.612 1.00 0.00 C ATOM 551 O ARG A 71 6.190 -3.030 5.382 1.00 0.00 O ATOM 552 CB ARG A 71 7.714 -3.841 8.474 1.00 0.00 C ATOM 553 CG ARG A 71 9.221 -4.217 8.476 1.00 0.00 C ATOM 554 CD ARG A 71 9.924 -3.837 9.786 1.00 0.00 C ATOM 555 NE ARG A 71 9.098 -4.311 10.925 1.00 0.00 N ATOM 556 CZ ARG A 71 9.563 -4.670 12.115 1.00 0.00 C ATOM 557 NH1 ARG A 71 10.820 -4.659 12.446 1.00 0.00 N ATOM 558 NH2 ARG A 71 8.706 -5.053 12.995 1.00 0.00 N ATOM 0 H ARG A 71 6.958 -1.627 9.265 1.00 0.00 H new ATOM 0 HA ARG A 71 8.171 -2.518 6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.433 -3.535 9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.135 -4.734 8.239 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.324 -5.290 8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.717 -3.717 7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.916 -4.286 9.826 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.060 -2.757 9.842 1.00 0.00 H new ATOM 0 HE ARG A 71 8.090 -4.365 10.781 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.523 -4.360 11.770 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.104 -4.949 13.382 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.712 -5.072 12.765 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.020 -5.338 13.923 1.00 0.00 H new ATOM 559 N CYS A 72 4.970 -3.685 7.327 1.00 0.00 N ATOM 560 CA CYS A 72 3.671 -3.923 6.717 1.00 0.00 C ATOM 561 C CYS A 72 2.718 -4.531 7.751 1.00 0.00 C ATOM 562 O CYS A 72 2.308 -5.696 7.720 1.00 0.00 O ATOM 563 CB CYS A 72 3.814 -4.698 5.398 1.00 0.00 C ATOM 564 SG CYS A 72 3.654 -3.538 3.989 1.00 0.00 S ATOM 0 H CYS A 72 5.002 -3.943 8.313 1.00 0.00 H new ATOM 0 HA CYS A 72 3.207 -2.983 6.417 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.781 -5.200 5.362 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.050 -5.473 5.334 1.00 0.00 H new ATOM 565 N GLN A 73 2.351 -3.603 8.839 1.00 0.00 N ATOM 566 CA GLN A 73 1.637 -3.979 10.072 1.00 0.00 C ATOM 567 C GLN A 73 0.508 -4.948 9.909 1.00 0.00 C ATOM 568 O GLN A 73 0.732 -6.187 9.838 1.00 0.00 O ATOM 569 CB GLN A 73 1.188 -2.657 10.785 1.00 0.00 C ATOM 570 CG GLN A 73 0.886 -2.795 12.311 1.00 0.00 C ATOM 571 CD GLN A 73 2.026 -3.170 13.268 1.00 0.00 C ATOM 572 OE1 GLN A 73 1.808 -3.787 14.299 1.00 0.00 O ATOM 573 NE2 GLN A 73 3.260 -2.851 12.970 1.00 0.00 N ATOM 0 H GLN A 73 2.577 -2.609 8.803 1.00 0.00 H new ATOM 0 HA GLN A 73 2.335 -4.545 10.688 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.968 -1.908 10.652 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.295 -2.279 10.287 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.471 -1.846 12.651 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.102 -3.544 12.424 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.461 -2.336 12.113 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.021 -3.118 13.595 1.00 0.00 H new ATOM 574 N PRO A 74 -0.880 -4.446 9.862 1.00 0.00 N ATOM 575 CA PRO A 74 -2.165 -5.269 9.770 1.00 0.00 C ATOM 576 C PRO A 74 -2.512 -5.908 8.437 1.00 0.00 C ATOM 577 O PRO A 74 -1.872 -5.706 7.398 1.00 0.00 O ATOM 578 CB PRO A 74 -3.319 -4.355 10.158 1.00 0.00 C ATOM 579 CG PRO A 74 -2.646 -3.078 10.679 1.00 0.00 C ATOM 580 CD PRO A 74 -1.312 -3.025 9.921 1.00 0.00 C ATOM 0 HA PRO A 74 -1.993 -6.116 10.434 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.961 -4.144 9.303 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.947 -4.812 10.923 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.254 -2.196 10.478 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.491 -3.120 11.757 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.435 -2.603 8.924 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.581 -2.406 10.441 1.00 0.00 H new ATOM 581 N ASP A 75 -3.717 -6.776 8.461 1.00 0.00 N ATOM 582 CA ASP A 75 -4.316 -7.343 7.259 1.00 0.00 C ATOM 583 C ASP A 75 -5.827 -7.315 7.349 1.00 0.00 C ATOM 584 O ASP A 75 -6.517 -6.562 6.647 1.00 0.00 O ATOM 585 CB ASP A 75 -3.785 -8.779 7.015 1.00 0.00 C ATOM 586 CG ASP A 75 -3.227 -9.528 8.234 1.00 0.00 C ATOM 587 OD1 ASP A 75 -1.969 -9.118 8.577 1.00 0.00 O ATOM 588 OD2 ASP A 75 -3.844 -10.410 8.813 1.00 0.00 O ATOM 0 H ASP A 75 -4.203 -7.031 9.320 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.028 -6.732 6.403 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.595 -9.373 6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.001 -8.727 6.260 1.00 0.00 H new ATOM 589 N LYS A 76 -6.437 -8.215 8.355 1.00 0.00 N ATOM 590 CA LYS A 76 -7.883 -8.359 8.488 1.00 0.00 C ATOM 591 C LYS A 76 -8.420 -7.529 9.631 1.00 0.00 C ATOM 592 O LYS A 76 -9.450 -6.843 9.500 1.00 0.00 O ATOM 593 CB LYS A 76 -8.243 -9.859 8.675 1.00 0.00 C ATOM 594 CG LYS A 76 -8.192 -10.334 10.148 1.00 0.00 C ATOM 595 CD LYS A 76 -8.130 -11.853 10.333 1.00 0.00 C ATOM 596 CE LYS A 76 -9.556 -12.420 10.361 1.00 0.00 C ATOM 597 NZ LYS A 76 -9.934 -12.729 11.751 1.00 0.00 N ATOM 0 H LYS A 76 -5.898 -8.783 9.009 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.352 -7.990 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.244 -10.035 8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.556 -10.465 8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.321 -9.888 10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.072 -9.955 10.668 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.562 -12.307 9.521 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.611 -12.097 11.260 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.254 -11.699 9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.613 -13.320 9.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.900 -13.113 11.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.274 -13.431 12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.895 -11.861 12.323 1.00 0.00 H new ATOM 598 N ALA A 77 -7.693 -7.599 10.912 1.00 0.00 N ATOM 599 CA ALA A 77 -8.192 -6.981 12.144 1.00 0.00 C ATOM 600 C ALA A 77 -7.246 -7.172 13.312 1.00 0.00 C ATOM 601 O ALA A 77 -7.528 -7.917 14.260 1.00 0.00 O ATOM 602 CB ALA A 77 -9.606 -7.518 12.411 1.00 0.00 C ATOM 0 H ALA A 77 -6.800 -8.079 11.024 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.245 -5.900 12.018 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.998 -7.071 13.325 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.256 -7.263 11.574 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.568 -8.601 12.524 1.00 0.00 H new ATOM 603 N ASN A 78 -5.993 -6.389 13.268 1.00 0.00 N ATOM 604 CA ASN A 78 -5.062 -6.337 14.392 1.00 0.00 C ATOM 605 C ASN A 78 -4.842 -7.707 14.988 1.00 0.00 C ATOM 606 O ASN A 78 -4.932 -7.909 16.207 1.00 0.00 O ATOM 607 CB ASN A 78 -5.600 -5.348 15.467 1.00 0.00 C ATOM 608 CG ASN A 78 -5.421 -3.853 15.187 1.00 0.00 C ATOM 609 OD1 ASN A 78 -4.373 -3.266 15.412 1.00 0.00 O ATOM 610 ND2 ASN A 78 -6.421 -3.185 14.679 1.00 0.00 N ATOM 0 H ASN A 78 -5.700 -5.840 12.460 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.097 -5.983 14.028 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.664 -5.542 15.604 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -5.110 -5.577 16.413 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.320 -2.190 14.477 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -7.304 -3.658 14.484 1.00 0.00 H new ATOM 611 N PRO A 79 -4.546 -8.792 14.029 1.00 0.00 N ATOM 612 CA PRO A 79 -4.268 -10.260 14.362 1.00 0.00 C ATOM 613 C PRO A 79 -3.141 -10.479 15.354 1.00 0.00 C ATOM 614 O PRO A 79 -2.891 -9.641 16.236 1.00 0.00 O ATOM 615 CB PRO A 79 -3.901 -10.948 13.056 1.00 0.00 C ATOM 616 CG PRO A 79 -4.652 -10.091 12.025 1.00 0.00 C ATOM 617 CD PRO A 79 -4.464 -8.662 12.552 1.00 0.00 C ATOM 0 HA PRO A 79 -5.164 -10.664 14.833 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.825 -10.947 12.882 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.226 -11.988 13.037 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.236 -10.209 11.024 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -5.706 -10.363 11.967 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.504 -8.249 12.243 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.236 -7.994 12.170 1.00 0.00 H new ATOM 618 N ARG A 80 -2.334 -11.707 15.203 1.00 0.00 N ATOM 619 CA ARG A 80 -1.149 -11.958 16.030 1.00 0.00 C ATOM 620 C ARG A 80 -0.238 -12.962 15.361 1.00 0.00 C ATOM 621 O ARG A 80 -0.687 -13.904 14.694 1.00 0.00 O ATOM 622 CB ARG A 80 -1.600 -12.436 17.435 1.00 0.00 C ATOM 623 CG ARG A 80 -1.185 -13.887 17.799 1.00 0.00 C ATOM 624 CD ARG A 80 -1.327 -14.183 19.297 1.00 0.00 C ATOM 625 NE ARG A 80 -2.536 -15.022 19.496 1.00 0.00 N ATOM 626 CZ ARG A 80 -2.576 -16.345 19.424 1.00 0.00 C ATOM 627 NH1 ARG A 80 -1.549 -17.097 19.160 1.00 0.00 N ATOM 628 NH2 ARG A 80 -3.709 -16.917 19.631 1.00 0.00 N ATOM 0 H ARG A 80 -2.541 -12.445 14.530 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.578 -11.037 16.146 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -1.188 -11.758 18.182 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -2.685 -12.358 17.498 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.798 -14.589 17.234 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.151 -14.052 17.496 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.442 -14.700 19.667 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.413 -13.254 19.861 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.410 -14.539 19.706 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.636 -16.673 18.992 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.656 -18.111 19.121 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.533 -16.354 19.841 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.783 -17.933 19.585 1.00 0.00 H new ATOM 629 N GLN A 81 1.212 -12.779 15.582 1.00 0.00 N ATOM 630 CA GLN A 81 2.220 -13.558 14.866 1.00 0.00 C ATOM 631 C GLN A 81 3.613 -13.114 15.252 1.00 0.00 C ATOM 632 O GLN A 81 4.059 -12.008 14.919 1.00 0.00 O ATOM 633 CB GLN A 81 1.992 -13.399 13.348 1.00 0.00 C ATOM 634 CG GLN A 81 2.942 -14.222 12.416 1.00 0.00 C ATOM 635 CD GLN A 81 2.508 -14.507 10.973 1.00 0.00 C ATOM 636 OE1 GLN A 81 2.895 -13.811 10.047 1.00 0.00 O ATOM 637 NE2 GLN A 81 1.702 -15.506 10.718 1.00 0.00 N ATOM 0 H GLN A 81 1.600 -12.105 16.241 1.00 0.00 H new ATOM 0 HA GLN A 81 2.125 -14.610 15.136 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.963 -13.682 13.125 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.094 -12.344 13.095 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.897 -13.698 12.374 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.126 -15.181 12.899 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.368 -16.099 11.478 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.408 -15.692 9.759 1.00 0.00 H new ATOM 638 N HIS A 82 4.398 -14.062 16.071 1.00 0.00 N ATOM 639 CA HIS A 82 5.732 -13.736 16.568 1.00 0.00 C ATOM 640 C HIS A 82 6.790 -14.080 15.546 1.00 0.00 C ATOM 641 O HIS A 82 7.206 -13.245 14.732 1.00 0.00 O ATOM 642 CB HIS A 82 5.932 -14.567 17.846 1.00 0.00 C ATOM 643 CG HIS A 82 5.187 -14.000 19.019 1.00 0.00 C ATOM 644 ND1 HIS A 82 5.284 -14.440 20.336 1.00 0.00 N ATOM 645 CD2 HIS A 82 4.293 -12.945 18.900 1.00 0.00 C ATOM 646 CE1 HIS A 82 4.421 -13.592 20.926 1.00 0.00 C ATOM 647 NE2 HIS A 82 3.790 -12.673 20.145 1.00 0.00 N ATOM 0 H HIS A 82 4.067 -14.989 16.338 1.00 0.00 H new ATOM 0 HA HIS A 82 5.821 -12.668 16.768 1.00 0.00 H new ATOM 0 HB2 HIS A 82 5.599 -15.589 17.667 1.00 0.00 H new ATOM 0 HB3 HIS A 82 6.995 -14.615 18.083 1.00 0.00 H new ATOM 0 HD2 HIS A 82 4.038 -12.429 17.986 1.00 0.00 H new ATOM 0 HE1 HIS A 82 4.235 -13.639 21.989 1.00 0.00 H new ATOM 0 HE2 HIS A 82 3.113 -11.961 20.418 1.00 0.00 H new ATOM 648 N ARG A 83 7.316 -15.462 15.588 1.00 0.00 N ATOM 649 CA ARG A 83 8.441 -15.887 14.760 1.00 0.00 C ATOM 650 C ARG A 83 8.673 -17.375 14.887 1.00 0.00 C ATOM 651 O ARG A 83 8.391 -17.993 15.923 1.00 0.00 O ATOM 652 CB ARG A 83 9.702 -15.080 15.171 1.00 0.00 C ATOM 653 CG ARG A 83 10.476 -15.651 16.389 1.00 0.00 C ATOM 654 CD ARG A 83 11.301 -14.581 17.116 1.00 0.00 C ATOM 655 NE ARG A 83 12.580 -14.400 16.384 1.00 0.00 N ATOM 656 CZ ARG A 83 12.793 -13.525 15.410 1.00 0.00 C ATOM 657 NH1 ARG A 83 11.896 -12.699 14.958 1.00 0.00 N ATOM 658 NH2 ARG A 83 13.965 -13.496 14.883 1.00 0.00 N ATOM 0 H ARG A 83 6.936 -16.195 16.186 1.00 0.00 H new ATOM 0 HA ARG A 83 8.218 -15.688 13.712 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.379 -15.033 14.318 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.403 -14.057 15.397 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.769 -16.097 17.088 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.138 -16.449 16.053 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.751 -13.641 17.157 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.492 -14.884 18.145 1.00 0.00 H new ATOM 0 HE ARG A 83 13.361 -14.999 16.653 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.957 -12.698 15.356 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.131 -12.052 14.205 1.00 0.00 H new ATOM 0 HH21 ARG A 83 14.690 -14.131 15.217 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.170 -12.838 14.131 1.00 0.00 H new ATOM 659 N LEU A 84 9.256 -18.050 13.708 1.00 0.00 N ATOM 660 CA LEU A 84 9.471 -19.494 13.671 1.00 0.00 C ATOM 661 C LEU A 84 10.854 -19.848 14.164 1.00 0.00 C ATOM 662 O LEU A 84 11.851 -19.189 13.839 1.00 0.00 O ATOM 663 CB LEU A 84 9.236 -20.045 12.236 1.00 0.00 C ATOM 664 CG LEU A 84 9.265 -21.584 12.030 1.00 0.00 C ATOM 665 CD1 LEU A 84 7.836 -22.145 12.047 1.00 0.00 C ATOM 666 CD2 LEU A 84 9.967 -21.995 10.726 1.00 0.00 C ATOM 0 H LEU A 84 9.541 -17.562 12.859 1.00 0.00 H new ATOM 0 HA LEU A 84 8.748 -19.962 14.339 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.267 -19.681 11.893 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.991 -19.607 11.583 1.00 0.00 H new ATOM 0 HG LEU A 84 9.842 -22.003 12.855 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.867 -23.225 11.902 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.369 -21.921 13.006 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.256 -21.688 11.245 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.958 -23.081 10.634 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.444 -21.555 9.877 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.998 -21.641 10.741 1.00 0.00 H new ATOM 667 N ASP A 85 10.955 -21.041 15.032 1.00 0.00 N ATOM 668 CA ASP A 85 12.238 -21.546 15.510 1.00 0.00 C ATOM 669 C ASP A 85 12.454 -22.981 15.090 1.00 0.00 C ATOM 670 O ASP A 85 11.569 -23.643 14.529 1.00 0.00 O ATOM 671 CB ASP A 85 12.344 -21.373 17.048 1.00 0.00 C ATOM 672 CG ASP A 85 13.758 -21.232 17.630 1.00 0.00 C ATOM 673 OD1 ASP A 85 14.654 -20.729 16.729 1.00 0.00 O ATOM 674 OD2 ASP A 85 14.040 -21.539 18.779 1.00 0.00 O ATOM 0 H ASP A 85 10.149 -21.580 15.349 1.00 0.00 H new ATOM 0 HA ASP A 85 13.034 -20.960 15.050 1.00 0.00 H new ATOM 0 HB2 ASP A 85 11.770 -20.491 17.332 1.00 0.00 H new ATOM 0 HB3 ASP A 85 11.865 -22.231 17.521 1.00 0.00 H new ATOM 675 N LYS A 86 13.772 -23.566 15.422 1.00 0.00 N ATOM 676 CA LYS A 86 14.157 -24.903 14.980 1.00 0.00 C ATOM 677 C LYS A 86 14.027 -25.904 16.105 1.00 0.00 C ATOM 678 O LYS A 86 14.731 -26.921 16.158 1.00 0.00 O ATOM 679 CB LYS A 86 15.611 -24.869 14.434 1.00 0.00 C ATOM 680 CG LYS A 86 15.713 -24.322 12.988 1.00 0.00 C ATOM 681 CD LYS A 86 17.075 -23.726 12.620 1.00 0.00 C ATOM 682 CE LYS A 86 18.187 -24.633 13.164 1.00 0.00 C ATOM 683 NZ LYS A 86 18.928 -23.920 14.220 1.00 0.00 N ATOM 0 H LYS A 86 14.485 -23.084 15.970 1.00 0.00 H new ATOM 0 HA LYS A 86 13.485 -25.219 14.182 1.00 0.00 H new ATOM 0 HB2 LYS A 86 16.224 -24.253 15.092 1.00 0.00 H new ATOM 0 HB3 LYS A 86 16.026 -25.877 14.463 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.486 -25.130 12.292 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.948 -23.558 12.849 1.00 0.00 H new ATOM 0 HD2 LYS A 86 17.163 -23.631 11.538 1.00 0.00 H new ATOM 0 HD3 LYS A 86 17.171 -22.723 13.036 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.759 -25.553 13.563 1.00 0.00 H new ATOM 0 HE3 LYS A 86 18.864 -24.919 12.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 19.578 -24.579 14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 19.472 -23.141 13.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 18.257 -23.536 14.916 1.00 0.00 H new ATOM 684 N ILE A 87 13.021 -25.593 17.144 1.00 0.00 N ATOM 685 CA ILE A 87 12.798 -26.468 18.291 1.00 0.00 C ATOM 686 C ILE A 87 11.388 -26.325 18.815 1.00 0.00 C ATOM 687 O ILE A 87 11.148 -26.249 20.028 1.00 0.00 O ATOM 688 CB ILE A 87 13.875 -26.221 19.424 1.00 0.00 C ATOM 689 CG1 ILE A 87 13.896 -27.302 20.552 1.00 0.00 C ATOM 690 CG2 ILE A 87 13.734 -24.821 20.098 1.00 0.00 C ATOM 691 CD1 ILE A 87 14.901 -28.456 20.359 1.00 0.00 C ATOM 0 H ILE A 87 12.428 -24.763 17.129 1.00 0.00 H new ATOM 0 HA ILE A 87 12.919 -27.498 17.955 1.00 0.00 H new ATOM 0 HB ILE A 87 14.817 -26.282 18.879 1.00 0.00 H new ATOM 0 HG12 ILE A 87 14.117 -26.808 21.498 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.896 -27.727 20.640 1.00 0.00 H new ATOM 0 HG21 ILE A 87 14.499 -24.708 20.866 1.00 0.00 H new ATOM 0 HG22 ILE A 87 13.857 -24.041 19.346 1.00 0.00 H new ATOM 0 HG23 ILE A 87 12.747 -24.734 20.553 1.00 0.00 H new ATOM 0 HD11 ILE A 87 14.829 -29.146 21.200 1.00 0.00 H new ATOM 0 HD12 ILE A 87 14.673 -28.986 19.434 1.00 0.00 H new ATOM 0 HD13 ILE A 87 15.912 -28.053 20.306 1.00 0.00 H new ATOM 692 N THR A 88 10.315 -26.264 17.799 1.00 0.00 N ATOM 693 CA THR A 88 8.911 -26.110 18.166 1.00 0.00 C ATOM 694 C THR A 88 8.063 -27.200 17.554 1.00 0.00 C ATOM 695 O THR A 88 6.837 -27.072 17.419 1.00 0.00 O ATOM 696 CB THR A 88 8.384 -24.697 17.742 1.00 0.00 C ATOM 697 OG1 THR A 88 7.805 -24.750 16.445 1.00 0.00 O ATOM 698 CG2 THR A 88 9.438 -23.573 17.650 1.00 0.00 C ATOM 0 H THR A 88 10.481 -26.324 16.794 1.00 0.00 H new ATOM 0 HA THR A 88 8.836 -26.198 19.250 1.00 0.00 H new ATOM 0 HB THR A 88 7.685 -24.456 18.543 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.479 -23.860 16.196 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.954 -22.644 17.348 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.910 -23.437 18.623 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.195 -23.843 16.914 1.00 0.00 H new ATOM 699 N HIS A 89 8.763 -28.441 17.159 1.00 0.00 N ATOM 700 CA HIS A 89 8.042 -29.611 16.660 1.00 0.00 C ATOM 701 C HIS A 89 7.918 -30.665 17.734 1.00 0.00 C ATOM 702 O HIS A 89 7.681 -30.362 18.915 1.00 0.00 O ATOM 703 CB HIS A 89 8.853 -30.139 15.465 1.00 0.00 C ATOM 704 CG HIS A 89 7.979 -30.747 14.408 1.00 0.00 C ATOM 705 ND1 HIS A 89 6.744 -31.354 14.623 1.00 0.00 N ATOM 706 CD2 HIS A 89 8.328 -30.767 13.065 1.00 0.00 C ATOM 707 CE1 HIS A 89 6.437 -31.705 13.359 1.00 0.00 C ATOM 708 NE2 HIS A 89 7.323 -31.393 12.375 1.00 0.00 N ATOM 0 H HIS A 89 9.775 -28.561 17.207 1.00 0.00 H new ATOM 0 HA HIS A 89 7.027 -29.350 16.362 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.430 -29.322 15.031 1.00 0.00 H new ATOM 0 HB3 HIS A 89 9.568 -30.884 15.815 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.233 -30.360 12.638 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.514 -32.219 13.134 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.256 -31.579 11.374 1.00 0.00 H new ATOM 709 N ALA A 90 8.053 -32.075 17.308 1.00 0.00 N ATOM 710 CA ALA A 90 8.083 -33.173 18.271 1.00 0.00 C ATOM 711 C ALA A 90 6.689 -33.509 18.748 1.00 0.00 C ATOM 712 O ALA A 90 5.683 -33.007 18.226 1.00 0.00 O ATOM 713 CB ALA A 90 9.025 -32.765 19.416 1.00 0.00 C ATOM 0 H ALA A 90 8.132 -32.369 16.334 1.00 0.00 H new ATOM 0 HA ALA A 90 8.462 -34.085 17.811 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.069 -33.566 20.154 1.00 0.00 H new ATOM 0 HB2 ALA A 90 10.023 -32.582 19.018 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.651 -31.857 19.889 1.00 0.00 H new ATOM 714 N CYS A 91 6.590 -34.497 19.844 1.00 0.00 N ATOM 715 CA CYS A 91 5.308 -34.865 20.439 1.00 0.00 C ATOM 716 C CYS A 91 4.477 -33.637 20.732 1.00 0.00 C ATOM 717 O CYS A 91 3.239 -33.673 20.732 1.00 0.00 O ATOM 718 CB CYS A 91 5.575 -35.710 21.700 1.00 0.00 C ATOM 719 SG CYS A 91 5.838 -34.648 23.138 1.00 0.00 S ATOM 0 H CYS A 91 7.393 -34.977 20.249 1.00 0.00 H new ATOM 0 HA CYS A 91 4.727 -35.464 19.738 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.731 -36.376 21.883 1.00 0.00 H new ATOM 0 HB3 CYS A 91 6.450 -36.340 21.543 1.00 0.00 H new ATOM 0 HG CYS A 91 6.058 -35.384 24.187 1.00 0.00 H new ATOM 720 N ARG A 92 5.223 -32.385 20.981 1.00 0.00 N ATOM 721 CA ARG A 92 4.546 -31.112 21.206 1.00 0.00 C ATOM 722 C ARG A 92 3.608 -30.788 20.068 1.00 0.00 C ATOM 723 O ARG A 92 3.907 -31.005 18.896 1.00 0.00 O ATOM 724 CB ARG A 92 5.614 -29.999 21.394 1.00 0.00 C ATOM 725 CG ARG A 92 5.239 -28.899 22.422 1.00 0.00 C ATOM 726 CD ARG A 92 5.430 -29.359 23.873 1.00 0.00 C ATOM 727 NE ARG A 92 5.675 -28.161 24.715 1.00 0.00 N ATOM 728 CZ ARG A 92 6.860 -27.612 24.947 1.00 0.00 C ATOM 729 NH1 ARG A 92 7.982 -28.056 24.463 1.00 0.00 N ATOM 730 NH2 ARG A 92 6.894 -26.573 25.703 1.00 0.00 N ATOM 731 OXT ARG A 92 2.362 -30.188 20.433 1.00 0.00 O ATOM 0 H ARG A 92 6.241 -32.329 21.012 1.00 0.00 H new ATOM 0 HA ARG A 92 3.938 -31.179 22.108 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.550 -30.463 21.706 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.798 -29.526 20.429 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.850 -28.015 22.242 1.00 0.00 H new ATOM 0 HG3 ARG A 92 4.200 -28.605 22.272 1.00 0.00 H new ATOM 0 HD2 ARG A 92 4.546 -29.893 24.221 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.269 -30.051 23.944 1.00 0.00 H new ATOM 0 HE ARG A 92 4.864 -27.723 25.152 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.987 -28.879 23.861 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.857 -27.581 24.685 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.030 -26.202 26.099 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.785 -26.120 25.907 1.00 0.00 H new TER 732 ARG A 92 HETATM 733 ZN ZN A 93 1.885 -2.026 4.375 1.00 0.00 ZN