USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=16 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 33 THR OG1 : rot 180:sc= -0.757 USER MOD Set 1.2: A 51 ASN : amide:sc= -8.22! C(o=-9!,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc= 0.101 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -149:sc= -0.022 (180deg=-0.682) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0243 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 45:sc= 0.57 USER MOD Single : A 11 GLN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 15 SER OG : rot 78:sc= 0.0737 USER MOD Single : A 22 ASN :FLIP amide:sc= -1.64 F(o=-4.8!,f=-1.6) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -94:sc= 0.166 USER MOD Single : A 46 HIS : no HE2:sc= -5.5! C(o=-5.5!,f=-5.2!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.446 USER MOD Single : A 55 TYR OH : rot 180:sc= -1.47 USER MOD Single : A 57 ASN : amide:sc= -3.23! C(o=-3.2!,f=-8.5!) USER MOD Single : A 59 SER OG : rot 180:sc=-0.00126 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,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=-0.27) USER MOD Single : A 81 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.69) USER MOD Single : A 82 HIS : no HD1:sc= -1.42! C(o=-1.4!,f=-2.6!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.111 21.578 -7.993 1.00 0.00 N ATOM 2 CA MET A 1 2.850 22.604 -8.998 1.00 0.00 C ATOM 3 C MET A 1 3.375 22.182 -10.351 1.00 0.00 C ATOM 4 O MET A 1 3.760 21.025 -10.571 1.00 0.00 O ATOM 5 CB MET A 1 1.327 22.903 -9.065 1.00 0.00 C ATOM 6 CG MET A 1 0.460 21.831 -9.760 1.00 0.00 C ATOM 7 SD MET A 1 -0.843 22.625 -10.715 1.00 0.00 S ATOM 8 CE MET A 1 -2.004 22.934 -9.377 1.00 0.00 C ATOM 0 H1 MET A 1 2.258 21.432 -7.417 1.00 0.00 H new ATOM 0 H2 MET A 1 3.367 20.687 -8.465 1.00 0.00 H new ATOM 0 H3 MET A 1 3.894 21.883 -7.381 1.00 0.00 H new ATOM 0 HA MET A 1 3.374 23.515 -8.710 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.958 23.038 -8.048 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.185 23.851 -9.585 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.080 21.217 -10.413 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.024 21.165 -9.016 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.891 23.428 -9.772 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.290 21.988 -8.918 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.535 23.573 -8.629 1.00 0.00 H new ATOM 9 N LYS A 2 3.423 23.234 -11.392 1.00 0.00 N ATOM 10 CA LYS A 2 4.005 22.988 -12.707 1.00 0.00 C ATOM 11 C LYS A 2 3.279 21.870 -13.420 1.00 0.00 C ATOM 12 O LYS A 2 2.369 21.229 -12.876 1.00 0.00 O ATOM 13 CB LYS A 2 5.514 22.655 -12.550 1.00 0.00 C ATOM 14 CG LYS A 2 6.430 23.902 -12.619 1.00 0.00 C ATOM 15 CD LYS A 2 7.700 23.724 -13.456 1.00 0.00 C ATOM 16 CE LYS A 2 8.862 24.460 -12.776 1.00 0.00 C ATOM 17 NZ LYS A 2 8.464 25.851 -12.497 1.00 0.00 N ATOM 0 H LYS A 2 3.061 24.179 -11.263 1.00 0.00 H new ATOM 0 HA LYS A 2 3.899 23.887 -13.315 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.670 22.151 -11.596 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.807 21.954 -13.332 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.856 24.734 -13.028 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.717 24.181 -11.605 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.936 22.665 -13.559 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.545 24.116 -14.461 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.134 23.955 -11.849 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.743 24.444 -13.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.300 26.468 -12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.765 26.160 -13.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.045 25.908 -11.547 1.00 0.00 H new ATOM 18 N LYS A 3 3.703 21.598 -14.811 1.00 0.00 N ATOM 19 CA LYS A 3 3.033 20.603 -15.643 1.00 0.00 C ATOM 20 C LYS A 3 3.844 19.330 -15.723 1.00 0.00 C ATOM 21 O LYS A 3 4.457 19.010 -16.750 1.00 0.00 O ATOM 22 CB LYS A 3 2.786 21.193 -17.059 1.00 0.00 C ATOM 23 CG LYS A 3 1.819 22.403 -17.062 1.00 0.00 C ATOM 24 CD LYS A 3 1.618 23.063 -18.428 1.00 0.00 C ATOM 25 CE LYS A 3 1.121 24.501 -18.227 1.00 0.00 C ATOM 26 NZ LYS A 3 0.674 25.050 -19.520 1.00 0.00 N ATOM 0 H LYS A 3 4.476 22.078 -15.272 1.00 0.00 H new ATOM 0 HA LYS A 3 2.074 20.352 -15.191 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.740 21.499 -17.488 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.382 20.413 -17.704 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.849 22.076 -16.687 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.195 23.152 -16.365 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.554 23.064 -18.986 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.897 22.496 -19.017 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.301 24.517 -17.510 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.918 25.119 -17.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.337 26.025 -19.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.468 25.048 -20.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.099 24.465 -19.897 1.00 0.00 H new ATOM 27 N ALA A 4 3.855 18.484 -14.509 1.00 0.00 N ATOM 28 CA ALA A 4 4.552 17.202 -14.470 1.00 0.00 C ATOM 29 C ALA A 4 4.067 16.289 -15.573 1.00 0.00 C ATOM 30 O ALA A 4 2.997 16.492 -16.163 1.00 0.00 O ATOM 31 CB ALA A 4 4.354 16.599 -13.069 1.00 0.00 C ATOM 0 H ALA A 4 3.387 18.734 -13.638 1.00 0.00 H new ATOM 0 HA ALA A 4 5.619 17.338 -14.648 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.865 15.638 -13.011 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.766 17.275 -12.320 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.290 16.456 -12.882 1.00 0.00 H new ATOM 32 N THR A 5 4.935 15.138 -15.899 1.00 0.00 N ATOM 33 CA THR A 5 4.630 14.217 -16.992 1.00 0.00 C ATOM 34 C THR A 5 4.905 12.790 -16.583 1.00 0.00 C ATOM 35 O THR A 5 4.750 12.415 -15.407 1.00 0.00 O ATOM 36 CB THR A 5 5.437 14.608 -18.276 1.00 0.00 C ATOM 37 OG1 THR A 5 6.812 14.283 -18.120 1.00 0.00 O ATOM 38 CG2 THR A 5 5.433 16.104 -18.659 1.00 0.00 C ATOM 0 H THR A 5 5.791 14.914 -15.391 1.00 0.00 H new ATOM 0 HA THR A 5 3.568 14.294 -17.225 1.00 0.00 H new ATOM 0 HB THR A 5 4.923 14.047 -19.056 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.301 14.532 -18.932 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.024 16.250 -19.563 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.409 16.431 -18.839 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.863 16.689 -17.846 1.00 0.00 H new ATOM 39 N CYS A 6 5.327 11.847 -17.642 1.00 0.00 N ATOM 40 CA CYS A 6 5.497 10.421 -17.380 1.00 0.00 C ATOM 41 C CYS A 6 6.672 10.165 -16.467 1.00 0.00 C ATOM 42 O CYS A 6 6.807 9.082 -15.873 1.00 0.00 O ATOM 43 CB CYS A 6 5.628 9.681 -18.726 1.00 0.00 C ATOM 44 SG CYS A 6 7.299 9.852 -19.391 1.00 0.00 S ATOM 0 H CYS A 6 5.523 12.124 -18.604 1.00 0.00 H new ATOM 0 HA CYS A 6 4.622 10.038 -16.855 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.392 8.626 -18.591 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.906 10.081 -19.438 1.00 0.00 H new ATOM 0 HG CYS A 6 7.383 9.218 -20.523 1.00 0.00 H new ATOM 45 N LEU A 7 7.675 11.244 -16.339 1.00 0.00 N ATOM 46 CA LEU A 7 8.915 11.062 -15.592 1.00 0.00 C ATOM 47 C LEU A 7 8.737 11.367 -14.124 1.00 0.00 C ATOM 48 O LEU A 7 9.710 11.661 -13.405 1.00 0.00 O ATOM 49 CB LEU A 7 10.051 11.936 -16.200 1.00 0.00 C ATOM 50 CG LEU A 7 9.826 13.469 -16.295 1.00 0.00 C ATOM 51 CD1 LEU A 7 10.324 14.156 -15.016 1.00 0.00 C ATOM 52 CD2 LEU A 7 10.512 14.095 -17.520 1.00 0.00 C ATOM 0 H LEU A 7 7.569 12.169 -16.756 1.00 0.00 H new ATOM 0 HA LEU A 7 9.196 10.012 -15.674 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.952 11.768 -15.611 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.254 11.566 -17.205 1.00 0.00 H new ATOM 0 HG LEU A 7 8.753 13.624 -16.409 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.161 15.231 -15.093 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.777 13.767 -14.157 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.388 13.958 -14.888 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.321 15.168 -17.535 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.586 13.918 -17.465 1.00 0.00 H new ATOM 0 HD23 LEU A 7 10.116 13.643 -18.429 1.00 0.00 H new ATOM 53 N THR A 8 7.366 11.303 -13.574 1.00 0.00 N ATOM 54 CA THR A 8 7.077 11.650 -12.184 1.00 0.00 C ATOM 55 C THR A 8 6.082 10.689 -11.577 1.00 0.00 C ATOM 56 O THR A 8 6.406 9.896 -10.682 1.00 0.00 O ATOM 57 CB THR A 8 6.557 13.123 -12.081 1.00 0.00 C ATOM 58 OG1 THR A 8 6.039 13.558 -13.332 1.00 0.00 O ATOM 59 CG2 THR A 8 7.602 14.195 -11.703 1.00 0.00 C ATOM 0 H THR A 8 6.549 11.019 -14.115 1.00 0.00 H new ATOM 0 HA THR A 8 8.005 11.571 -11.618 1.00 0.00 H new ATOM 0 HB THR A 8 5.820 13.055 -11.280 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.472 12.856 -13.713 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.122 15.173 -11.663 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.028 13.960 -10.728 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.395 14.210 -12.451 1.00 0.00 H new ATOM 60 N ASP A 9 4.712 10.721 -12.133 1.00 0.00 N ATOM 61 CA ASP A 9 3.615 9.971 -11.529 1.00 0.00 C ATOM 62 C ASP A 9 3.735 8.493 -11.816 1.00 0.00 C ATOM 63 O ASP A 9 3.333 7.640 -11.010 1.00 0.00 O ATOM 64 CB ASP A 9 2.250 10.541 -11.994 1.00 0.00 C ATOM 65 CG ASP A 9 1.061 10.343 -11.042 1.00 0.00 C ATOM 66 OD1 ASP A 9 0.854 9.031 -10.719 1.00 0.00 O ATOM 67 OD2 ASP A 9 0.392 11.270 -10.609 1.00 0.00 O ATOM 0 H ASP A 9 4.448 11.258 -12.959 1.00 0.00 H new ATOM 0 HA ASP A 9 3.674 10.087 -10.447 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.370 11.610 -12.171 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.999 10.085 -12.952 1.00 0.00 H new ATOM 68 N ASP A 10 4.322 8.114 -13.121 1.00 0.00 N ATOM 69 CA ASP A 10 4.401 6.718 -13.548 1.00 0.00 C ATOM 70 C ASP A 10 5.473 5.982 -12.782 1.00 0.00 C ATOM 71 O ASP A 10 5.239 4.925 -12.177 1.00 0.00 O ATOM 72 CB ASP A 10 4.614 6.628 -15.081 1.00 0.00 C ATOM 73 CG ASP A 10 3.361 6.751 -15.960 1.00 0.00 C ATOM 74 OD1 ASP A 10 2.209 6.454 -15.285 1.00 0.00 O ATOM 75 OD2 ASP A 10 3.403 7.062 -17.141 1.00 0.00 O ATOM 0 H ASP A 10 4.700 8.783 -13.792 1.00 0.00 H new ATOM 0 HA ASP A 10 3.453 6.229 -13.322 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.313 7.411 -15.374 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.093 5.674 -15.303 1.00 0.00 H new ATOM 76 N GLN A 11 6.817 6.605 -12.754 1.00 0.00 N ATOM 77 CA GLN A 11 7.924 6.015 -12.006 1.00 0.00 C ATOM 78 C GLN A 11 7.572 5.885 -10.541 1.00 0.00 C ATOM 79 O GLN A 11 7.849 4.874 -9.881 1.00 0.00 O ATOM 80 CB GLN A 11 9.176 6.897 -12.196 1.00 0.00 C ATOM 81 CG GLN A 11 9.715 7.033 -13.658 1.00 0.00 C ATOM 82 CD GLN A 11 11.225 7.180 -13.887 1.00 0.00 C ATOM 83 OE1 GLN A 11 11.662 7.893 -14.777 1.00 0.00 O ATOM 84 NE2 GLN A 11 12.068 6.548 -13.111 1.00 0.00 N ATOM 0 H GLN A 11 7.054 7.468 -13.244 1.00 0.00 H new ATOM 0 HA GLN A 11 8.126 5.012 -12.382 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.951 7.895 -11.821 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.975 6.495 -11.573 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.383 6.156 -14.213 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.229 7.899 -14.108 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.721 5.948 -12.363 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.072 6.655 -13.255 1.00 0.00 H new ATOM 85 N ARG A 12 6.871 7.041 -9.941 1.00 0.00 N ATOM 86 CA ARG A 12 6.330 7.037 -8.588 1.00 0.00 C ATOM 87 C ARG A 12 5.644 5.740 -8.234 1.00 0.00 C ATOM 88 O ARG A 12 6.153 4.866 -7.503 1.00 0.00 O ATOM 89 CB ARG A 12 5.316 8.222 -8.470 1.00 0.00 C ATOM 90 CG ARG A 12 5.910 9.554 -7.950 1.00 0.00 C ATOM 91 CD ARG A 12 7.445 9.568 -7.965 1.00 0.00 C ATOM 92 NE ARG A 12 7.896 10.982 -7.916 1.00 0.00 N ATOM 93 CZ ARG A 12 7.665 11.830 -6.923 1.00 0.00 C ATOM 94 NH1 ARG A 12 7.007 11.531 -5.842 1.00 0.00 N ATOM 95 NH2 ARG A 12 8.124 13.025 -7.043 1.00 0.00 N ATOM 0 H ARG A 12 6.721 7.919 -10.438 1.00 0.00 H new ATOM 0 HA ARG A 12 7.158 7.149 -7.888 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.874 8.399 -9.451 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.506 7.921 -7.805 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.538 10.376 -8.562 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.560 9.730 -6.933 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.839 9.014 -7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.821 9.080 -8.864 1.00 0.00 H new ATOM 0 HE ARG A 12 8.428 11.330 -8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.630 10.591 -5.718 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.868 12.236 -5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.644 13.290 -7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.968 13.708 -6.302 1.00 0.00 H new ATOM 96 N TRP A 13 4.288 5.551 -8.813 1.00 0.00 N ATOM 97 CA TRP A 13 3.437 4.453 -8.385 1.00 0.00 C ATOM 98 C TRP A 13 3.941 3.129 -8.907 1.00 0.00 C ATOM 99 O TRP A 13 3.751 2.073 -8.280 1.00 0.00 O ATOM 100 CB TRP A 13 1.970 4.666 -8.895 1.00 0.00 C ATOM 101 CG TRP A 13 1.222 3.318 -8.839 1.00 0.00 C ATOM 102 CD1 TRP A 13 0.993 2.454 -9.928 1.00 0.00 C ATOM 103 CD2 TRP A 13 0.760 2.667 -7.718 1.00 0.00 C ATOM 104 NE1 TRP A 13 0.382 1.256 -9.508 1.00 0.00 N ATOM 105 CE2 TRP A 13 0.254 1.409 -8.133 1.00 0.00 C ATOM 106 CE3 TRP A 13 0.757 3.036 -6.347 1.00 0.00 C ATOM 107 CZ2 TRP A 13 -0.264 0.513 -7.172 1.00 0.00 C ATOM 108 CZ3 TRP A 13 0.224 2.140 -5.422 1.00 0.00 C ATOM 109 CH2 TRP A 13 -0.282 0.896 -5.828 1.00 0.00 C ATOM 0 H TRP A 13 3.877 6.157 -9.524 1.00 0.00 H new ATOM 0 HA TRP A 13 3.456 4.437 -7.295 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.460 5.406 -8.278 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.977 5.051 -9.915 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.252 2.681 -10.952 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.099 0.461 -10.081 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.158 3.987 -6.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.641 -0.454 -7.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.200 2.408 -4.376 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.692 0.223 -5.090 1.00 0.00 H new ATOM 110 N GLN A 14 4.626 3.135 -10.220 1.00 0.00 N ATOM 111 CA GLN A 14 5.306 1.942 -10.725 1.00 0.00 C ATOM 112 C GLN A 14 6.331 1.469 -9.714 1.00 0.00 C ATOM 113 O GLN A 14 6.631 0.274 -9.595 1.00 0.00 O ATOM 114 CB GLN A 14 5.966 2.249 -12.083 1.00 0.00 C ATOM 115 CG GLN A 14 6.617 1.032 -12.824 1.00 0.00 C ATOM 116 CD GLN A 14 7.575 1.287 -13.993 1.00 0.00 C ATOM 117 OE1 GLN A 14 8.189 2.338 -14.090 1.00 0.00 O ATOM 118 NE2 GLN A 14 7.752 0.366 -14.906 1.00 0.00 N ATOM 0 H GLN A 14 4.669 3.943 -10.840 1.00 0.00 H new ATOM 0 HA GLN A 14 4.579 1.144 -10.874 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.214 2.687 -12.739 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.734 3.007 -11.928 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.158 0.447 -12.080 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.807 0.404 -13.196 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.248 -0.519 -14.842 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.394 0.533 -15.681 1.00 0.00 H new ATOM 119 N SER A 15 6.975 2.533 -8.907 1.00 0.00 N ATOM 120 CA SER A 15 7.841 2.214 -7.776 1.00 0.00 C ATOM 121 C SER A 15 7.091 1.385 -6.756 1.00 0.00 C ATOM 122 O SER A 15 7.649 0.438 -6.175 1.00 0.00 O ATOM 123 CB SER A 15 8.482 3.476 -7.153 1.00 0.00 C ATOM 124 OG SER A 15 9.743 3.811 -7.744 1.00 0.00 O ATOM 0 H SER A 15 6.860 3.531 -9.083 1.00 0.00 H new ATOM 0 HA SER A 15 8.672 1.614 -8.148 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.799 4.318 -7.266 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.619 3.317 -6.083 1.00 0.00 H new ATOM 0 HG SER A 15 9.593 4.252 -8.606 1.00 0.00 H new ATOM 125 N VAL A 16 5.682 1.783 -6.457 1.00 0.00 N ATOM 126 CA VAL A 16 4.850 0.919 -5.626 1.00 0.00 C ATOM 127 C VAL A 16 4.894 -0.510 -6.113 1.00 0.00 C ATOM 128 O VAL A 16 5.201 -1.460 -5.350 1.00 0.00 O ATOM 129 CB VAL A 16 3.378 1.429 -5.401 1.00 0.00 C ATOM 130 CG1 VAL A 16 2.560 0.639 -4.320 1.00 0.00 C ATOM 131 CG2 VAL A 16 3.284 2.908 -4.955 1.00 0.00 C ATOM 0 H VAL A 16 5.231 2.634 -6.792 1.00 0.00 H new ATOM 0 HA VAL A 16 5.296 0.959 -4.632 1.00 0.00 H new ATOM 0 HB VAL A 16 2.957 1.276 -6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.560 1.065 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.486 -0.408 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.065 0.711 -3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.237 3.182 -4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.816 3.038 -4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.732 3.547 -5.716 1.00 0.00 H new ATOM 132 N LEU A 17 4.524 -0.774 -7.517 1.00 0.00 N ATOM 133 CA LEU A 17 4.535 -2.141 -8.087 1.00 0.00 C ATOM 134 C LEU A 17 5.843 -2.815 -7.774 1.00 0.00 C ATOM 135 O LEU A 17 5.937 -4.006 -7.453 1.00 0.00 O ATOM 136 CB LEU A 17 4.263 -2.106 -9.617 1.00 0.00 C ATOM 137 CG LEU A 17 3.031 -1.286 -10.102 1.00 0.00 C ATOM 138 CD1 LEU A 17 2.684 -1.662 -11.547 1.00 0.00 C ATOM 139 CD2 LEU A 17 1.801 -1.481 -9.201 1.00 0.00 C ATOM 0 H LEU A 17 4.242 -0.048 -8.175 1.00 0.00 H new ATOM 0 HA LEU A 17 3.733 -2.721 -7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.150 -1.706 -10.109 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.143 -3.133 -9.962 1.00 0.00 H new ATOM 0 HG LEU A 17 3.307 -0.233 -10.049 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.821 -1.083 -11.876 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.534 -1.446 -12.194 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.449 -2.725 -11.600 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.971 -0.887 -9.584 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.520 -2.534 -9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.038 -1.160 -8.187 1.00 0.00 H new ATOM 140 N ALA A 18 7.047 -1.956 -7.921 1.00 0.00 N ATOM 141 CA ALA A 18 8.399 -2.386 -7.583 1.00 0.00 C ATOM 142 C ALA A 18 8.715 -2.138 -6.127 1.00 0.00 C ATOM 143 O ALA A 18 9.736 -1.533 -5.769 1.00 0.00 O ATOM 144 CB ALA A 18 9.368 -1.643 -8.528 1.00 0.00 C ATOM 0 H ALA A 18 7.003 -0.999 -8.272 1.00 0.00 H new ATOM 0 HA ALA A 18 8.502 -3.462 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.393 -1.940 -8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.134 -1.896 -9.562 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.262 -0.568 -8.385 1.00 0.00 H new ATOM 145 N ARG A 19 7.734 -2.652 -5.147 1.00 0.00 N ATOM 146 CA ARG A 19 7.789 -2.356 -3.722 1.00 0.00 C ATOM 147 C ARG A 19 9.108 -2.700 -3.074 1.00 0.00 C ATOM 148 O ARG A 19 9.353 -2.302 -1.911 1.00 0.00 O ATOM 149 CB ARG A 19 6.621 -3.122 -3.020 1.00 0.00 C ATOM 150 CG ARG A 19 6.423 -4.588 -3.482 1.00 0.00 C ATOM 151 CD ARG A 19 6.966 -5.619 -2.482 1.00 0.00 C ATOM 152 NE ARG A 19 6.912 -6.958 -3.123 1.00 0.00 N ATOM 153 CZ ARG A 19 7.770 -7.948 -2.919 1.00 0.00 C ATOM 154 NH1 ARG A 19 8.787 -7.882 -2.111 1.00 0.00 N ATOM 155 NH2 ARG A 19 7.578 -9.043 -3.566 1.00 0.00 N ATOM 0 H ARG A 19 6.951 -3.251 -5.408 1.00 0.00 H new ATOM 0 HA ARG A 19 7.685 -1.277 -3.605 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.799 -3.118 -1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.694 -2.575 -3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.360 -4.771 -3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.918 -4.729 -4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.990 -5.373 -2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.373 -5.611 -1.567 1.00 0.00 H new ATOM 0 HE ARG A 19 6.148 -7.131 -3.777 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.965 -7.027 -1.584 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.406 -8.685 -2.004 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.789 -9.125 -4.207 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.215 -9.829 -3.438 1.00 0.00 H new ATOM 156 N ASP A 20 10.082 -3.533 -3.808 1.00 0.00 N ATOM 157 CA ASP A 20 11.280 -4.068 -3.166 1.00 0.00 C ATOM 158 C ASP A 20 12.402 -3.102 -2.913 1.00 0.00 C ATOM 159 O ASP A 20 12.756 -2.756 -1.758 1.00 0.00 O ATOM 160 CB ASP A 20 11.725 -5.364 -3.913 1.00 0.00 C ATOM 161 CG ASP A 20 13.151 -5.871 -3.675 1.00 0.00 C ATOM 162 OD1 ASP A 20 13.538 -6.296 -2.594 1.00 0.00 O ATOM 163 OD2 ASP A 20 13.932 -5.823 -4.797 1.00 0.00 O ATOM 0 H ASP A 20 9.985 -3.785 -4.792 1.00 0.00 H new ATOM 0 HA ASP A 20 10.991 -4.312 -2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.035 -6.162 -3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.605 -5.192 -4.983 1.00 0.00 H new ATOM 164 N PRO A 21 13.131 -2.568 -4.092 1.00 0.00 N ATOM 165 CA PRO A 21 14.333 -1.629 -4.090 1.00 0.00 C ATOM 166 C PRO A 21 14.290 -0.128 -3.939 1.00 0.00 C ATOM 167 O PRO A 21 14.319 0.416 -2.827 1.00 0.00 O ATOM 168 CB PRO A 21 15.099 -1.969 -5.379 1.00 0.00 C ATOM 169 CG PRO A 21 13.964 -2.306 -6.351 1.00 0.00 C ATOM 170 CD PRO A 21 12.831 -2.892 -5.507 1.00 0.00 C ATOM 0 HA PRO A 21 14.756 -1.839 -3.107 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.699 -1.129 -5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.778 -2.810 -5.239 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.631 -1.415 -6.883 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.297 -3.021 -7.104 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.871 -2.470 -5.804 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.762 -3.970 -5.649 1.00 0.00 H new ATOM 171 N ASN A 22 14.297 0.671 -5.188 1.00 0.00 N ATOM 172 CA ASN A 22 14.514 2.092 -5.285 1.00 0.00 C ATOM 173 C ASN A 22 13.085 2.724 -5.402 1.00 0.00 C ATOM 174 O ASN A 22 12.655 3.354 -6.369 1.00 0.00 O ATOM 175 CB ASN A 22 15.330 2.819 -6.388 1.00 0.00 C ATOM 176 CG ASN A 22 15.307 4.352 -6.182 1.00 0.00 C ATOM 177 OD1 ASN A 22 14.756 4.862 -5.085 1.00 0.00 O flip ATOM 178 ND2 ASN A 22 15.784 5.132 -6.989 1.00 0.00 N flip ATOM 0 H ASN A 22 14.141 0.241 -6.099 1.00 0.00 H new ATOM 0 HA ASN A 22 15.162 2.230 -4.419 1.00 0.00 H new ATOM 0 HB2 ASN A 22 16.360 2.463 -6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.920 2.575 -7.368 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.216 4.781 -7.844 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.751 6.136 -6.809 1.00 0.00 H new ATOM 179 N ALA A 23 12.279 2.442 -4.187 1.00 0.00 N ATOM 180 CA ALA A 23 10.891 2.860 -4.067 1.00 0.00 C ATOM 181 C ALA A 23 10.503 3.045 -2.618 1.00 0.00 C ATOM 182 O ALA A 23 9.778 3.980 -2.254 1.00 0.00 O ATOM 183 CB ALA A 23 10.018 1.818 -4.788 1.00 0.00 C ATOM 0 H ALA A 23 12.638 1.946 -3.371 1.00 0.00 H new ATOM 0 HA ALA A 23 10.741 3.832 -4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.970 2.107 -4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.306 1.766 -5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.159 0.842 -4.324 1.00 0.00 H new ATOM 184 N ASP A 24 11.052 2.056 -1.667 1.00 0.00 N ATOM 185 CA ASP A 24 10.714 2.034 -0.250 1.00 0.00 C ATOM 186 C ASP A 24 10.678 3.379 0.437 1.00 0.00 C ATOM 187 O ASP A 24 9.702 4.146 0.374 1.00 0.00 O ATOM 188 CB ASP A 24 11.669 1.056 0.502 1.00 0.00 C ATOM 189 CG ASP A 24 11.203 -0.398 0.646 1.00 0.00 C ATOM 190 OD1 ASP A 24 11.158 -1.182 -0.292 1.00 0.00 O ATOM 191 OD2 ASP A 24 10.868 -0.724 1.931 1.00 0.00 O ATOM 0 H ASP A 24 11.705 1.323 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 24 9.683 1.684 -0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.628 1.055 -0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.846 1.456 1.501 1.00 0.00 H new ATOM 192 N GLY A 25 11.871 3.731 1.247 1.00 0.00 N ATOM 193 CA GLY A 25 11.916 4.881 2.143 1.00 0.00 C ATOM 194 C GLY A 25 12.225 6.177 1.437 1.00 0.00 C ATOM 195 O GLY A 25 12.611 7.178 2.065 1.00 0.00 O ATOM 0 H GLY A 25 12.736 3.191 1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.957 4.973 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.670 4.705 2.911 1.00 0.00 H new ATOM 196 N GLU A 26 12.063 6.201 -0.032 1.00 0.00 N ATOM 197 CA GLU A 26 12.162 7.444 -0.791 1.00 0.00 C ATOM 198 C GLU A 26 10.824 8.141 -0.864 1.00 0.00 C ATOM 199 O GLU A 26 10.739 9.329 -1.226 1.00 0.00 O ATOM 200 CB GLU A 26 12.724 7.123 -2.203 1.00 0.00 C ATOM 201 CG GLU A 26 14.202 6.612 -2.282 1.00 0.00 C ATOM 202 CD GLU A 26 15.317 7.637 -2.495 1.00 0.00 C ATOM 203 OE1 GLU A 26 15.028 8.873 -1.999 1.00 0.00 O ATOM 204 OE2 GLU A 26 16.370 7.370 -3.058 1.00 0.00 O ATOM 0 H GLU A 26 11.876 5.374 -0.599 1.00 0.00 H new ATOM 0 HA GLU A 26 12.843 8.130 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.081 6.371 -2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.644 8.024 -2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.417 6.075 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.259 5.886 -3.093 1.00 0.00 H new ATOM 205 N PHE A 27 9.632 7.363 -0.448 1.00 0.00 N ATOM 206 CA PHE A 27 8.294 7.964 -0.478 1.00 0.00 C ATOM 207 C PHE A 27 7.266 7.050 0.137 1.00 0.00 C ATOM 208 O PHE A 27 7.559 5.923 0.569 1.00 0.00 O ATOM 209 CB PHE A 27 7.931 8.352 -1.940 1.00 0.00 C ATOM 210 CG PHE A 27 7.492 7.226 -2.888 1.00 0.00 C ATOM 211 CD1 PHE A 27 8.408 6.215 -3.208 1.00 0.00 C ATOM 212 CD2 PHE A 27 6.215 7.198 -3.452 1.00 0.00 C ATOM 213 CE1 PHE A 27 8.048 5.189 -4.074 1.00 0.00 C ATOM 214 CE2 PHE A 27 5.855 6.170 -4.320 1.00 0.00 C ATOM 215 CZ PHE A 27 6.771 5.166 -4.631 1.00 0.00 C ATOM 0 H PHE A 27 9.659 6.396 -0.125 1.00 0.00 H new ATOM 0 HA PHE A 27 8.298 8.871 0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.130 9.090 -1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.798 8.844 -2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.399 6.233 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.504 7.976 -3.214 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.757 4.411 -4.315 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.866 6.151 -4.752 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.490 4.370 -5.304 1.00 0.00 H new ATOM 216 N VAL A 28 5.879 7.558 0.198 1.00 0.00 N ATOM 217 CA VAL A 28 4.801 6.899 0.941 1.00 0.00 C ATOM 218 C VAL A 28 3.502 7.044 0.175 1.00 0.00 C ATOM 219 O VAL A 28 3.327 8.042 -0.563 1.00 0.00 O ATOM 220 CB VAL A 28 4.678 7.567 2.366 1.00 0.00 C ATOM 221 CG1 VAL A 28 5.857 7.322 3.348 1.00 0.00 C ATOM 222 CG2 VAL A 28 4.522 9.110 2.316 1.00 0.00 C ATOM 0 H VAL A 28 5.580 8.409 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 28 5.020 5.838 1.061 1.00 0.00 H new ATOM 0 HB VAL A 28 3.784 7.064 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.657 7.830 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.964 6.252 3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.778 7.711 2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.443 9.501 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.391 9.548 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.622 9.367 1.757 1.00 0.00 H new ATOM 223 N PHE A 29 2.454 6.015 0.323 1.00 0.00 N ATOM 224 CA PHE A 29 1.225 6.052 -0.476 1.00 0.00 C ATOM 225 C PHE A 29 0.018 5.805 0.396 1.00 0.00 C ATOM 226 O PHE A 29 0.062 5.031 1.362 1.00 0.00 O ATOM 227 CB PHE A 29 1.275 4.999 -1.620 1.00 0.00 C ATOM 228 CG PHE A 29 1.049 3.524 -1.255 1.00 0.00 C ATOM 229 CD1 PHE A 29 -0.156 3.128 -0.664 1.00 0.00 C ATOM 230 CD2 PHE A 29 2.011 2.558 -1.569 1.00 0.00 C ATOM 231 CE1 PHE A 29 -0.398 1.786 -0.391 1.00 0.00 C ATOM 232 CE2 PHE A 29 1.766 1.214 -1.298 1.00 0.00 C ATOM 233 CZ PHE A 29 0.562 0.828 -0.711 1.00 0.00 C ATOM 0 H PHE A 29 2.512 5.231 0.973 1.00 0.00 H new ATOM 0 HA PHE A 29 1.144 7.044 -0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.527 5.277 -2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.249 5.078 -2.103 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.902 3.869 -0.418 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.945 2.855 -2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.329 1.487 0.068 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.510 0.470 -1.543 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.373 -0.215 -0.504 1.00 0.00 H new ATOM 234 N ALA A 30 -1.204 6.566 0.059 1.00 0.00 N ATOM 235 CA ALA A 30 -2.387 6.548 0.914 1.00 0.00 C ATOM 236 C ALA A 30 -3.624 6.199 0.121 1.00 0.00 C ATOM 237 O ALA A 30 -4.263 7.058 -0.503 1.00 0.00 O ATOM 238 CB ALA A 30 -2.489 7.919 1.602 1.00 0.00 C ATOM 0 H ALA A 30 -1.300 7.143 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.301 5.774 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.366 7.937 2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.594 8.094 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.580 8.699 0.846 1.00 0.00 H new ATOM 239 N VAL A 31 -4.051 4.784 0.164 1.00 0.00 N ATOM 240 CA VAL A 31 -5.245 4.315 -0.536 1.00 0.00 C ATOM 241 C VAL A 31 -6.452 4.382 0.369 1.00 0.00 C ATOM 242 O VAL A 31 -6.576 3.606 1.334 1.00 0.00 O ATOM 243 CB VAL A 31 -5.012 2.841 -1.054 1.00 0.00 C ATOM 244 CG1 VAL A 31 -4.957 1.729 0.033 1.00 0.00 C ATOM 245 CG2 VAL A 31 -6.067 2.355 -2.077 1.00 0.00 C ATOM 0 H VAL A 31 -3.551 4.056 0.674 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.434 4.963 -1.392 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.028 2.959 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.793 0.762 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.140 1.936 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.899 1.708 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.835 1.335 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.056 2.381 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.054 3.007 -2.951 1.00 0.00 H new ATOM 246 N ARG A 32 -7.496 5.380 0.041 1.00 0.00 N ATOM 247 CA ARG A 32 -8.609 5.639 0.952 1.00 0.00 C ATOM 248 C ARG A 32 -9.747 4.663 0.776 1.00 0.00 C ATOM 249 O ARG A 32 -10.924 5.002 1.017 1.00 0.00 O ATOM 250 CB ARG A 32 -9.091 7.105 0.760 1.00 0.00 C ATOM 251 CG ARG A 32 -9.904 7.681 1.949 1.00 0.00 C ATOM 252 CD ARG A 32 -10.270 9.159 1.768 1.00 0.00 C ATOM 253 NE ARG A 32 -9.253 9.795 0.894 1.00 0.00 N ATOM 254 CZ ARG A 32 -9.396 10.072 -0.395 1.00 0.00 C ATOM 255 NH1 ARG A 32 -10.465 9.813 -1.087 1.00 0.00 N ATOM 256 NH2 ARG A 32 -8.407 10.636 -0.995 1.00 0.00 N ATOM 0 H ARG A 32 -7.509 5.936 -0.814 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.252 5.499 1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.221 7.740 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.703 7.157 -0.140 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.817 7.099 2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.326 7.566 2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.261 9.252 1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.305 9.661 2.735 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.362 10.042 1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.266 9.367 -0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.503 10.055 -2.077 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.554 10.853 -0.479 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.476 10.866 -1.986 1.00 0.00 H new ATOM 257 N THR A 33 -9.428 3.300 0.302 1.00 0.00 N ATOM 258 CA THR A 33 -10.445 2.253 0.217 1.00 0.00 C ATOM 259 C THR A 33 -10.355 1.316 1.398 1.00 0.00 C ATOM 260 O THR A 33 -11.360 0.780 1.884 1.00 0.00 O ATOM 261 CB THR A 33 -10.318 1.461 -1.127 1.00 0.00 C ATOM 262 OG1 THR A 33 -9.928 2.327 -2.185 1.00 0.00 O ATOM 263 CG2 THR A 33 -11.605 0.778 -1.643 1.00 0.00 C ATOM 0 H THR A 33 -8.497 3.005 0.009 1.00 0.00 H new ATOM 0 HA THR A 33 -11.423 2.733 0.239 1.00 0.00 H new ATOM 0 HB THR A 33 -9.587 0.692 -0.876 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.852 1.814 -3.017 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.393 0.262 -2.579 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.957 0.059 -0.903 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.375 1.531 -1.811 1.00 0.00 H new ATOM 264 N THR A 34 -8.996 1.044 1.917 1.00 0.00 N ATOM 265 CA THR A 34 -8.774 0.290 3.146 1.00 0.00 C ATOM 266 C THR A 34 -8.235 1.178 4.243 1.00 0.00 C ATOM 267 O THR A 34 -7.683 0.702 5.248 1.00 0.00 O ATOM 268 CB THR A 34 -7.805 -0.913 2.886 1.00 0.00 C ATOM 269 OG1 THR A 34 -8.193 -1.622 1.717 1.00 0.00 O ATOM 270 CG2 THR A 34 -7.740 -1.991 3.989 1.00 0.00 C ATOM 0 H THR A 34 -8.141 1.359 1.459 1.00 0.00 H new ATOM 0 HA THR A 34 -9.736 -0.103 3.476 1.00 0.00 H new ATOM 0 HB THR A 34 -6.834 -0.422 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.577 -2.369 1.568 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.037 -2.770 3.695 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.409 -1.537 4.923 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.729 -2.428 4.129 1.00 0.00 H new ATOM 271 N GLY A 35 -8.384 2.638 4.060 1.00 0.00 N ATOM 272 CA GLY A 35 -8.010 3.586 5.106 1.00 0.00 C ATOM 273 C GLY A 35 -6.632 3.283 5.645 1.00 0.00 C ATOM 274 O GLY A 35 -6.358 3.433 6.847 1.00 0.00 O ATOM 0 H GLY A 35 -8.749 3.070 3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.033 4.600 4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.738 3.545 5.916 1.00 0.00 H new ATOM 275 N ILE A 36 -5.619 2.801 4.677 1.00 0.00 N ATOM 276 CA ILE A 36 -4.229 2.581 5.058 1.00 0.00 C ATOM 277 C ILE A 36 -3.274 3.391 4.210 1.00 0.00 C ATOM 278 O ILE A 36 -3.402 3.502 2.983 1.00 0.00 O ATOM 279 CB ILE A 36 -3.842 1.046 5.078 1.00 0.00 C ATOM 280 CG1 ILE A 36 -3.489 0.412 3.695 1.00 0.00 C ATOM 281 CG2 ILE A 36 -4.938 0.159 5.750 1.00 0.00 C ATOM 282 CD1 ILE A 36 -2.290 -0.560 3.684 1.00 0.00 C ATOM 0 H ILE A 36 -5.823 2.595 3.699 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.131 2.939 6.083 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.928 1.051 5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.366 -0.120 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.285 1.217 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.621 -0.884 5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.084 0.480 6.781 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.875 0.261 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.137 -0.938 2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.393 -0.036 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.491 -1.394 4.357 1.00 0.00 H new ATOM 283 N PHE A 37 -2.193 4.081 4.944 1.00 0.00 N ATOM 284 CA PHE A 37 -1.069 4.757 4.273 1.00 0.00 C ATOM 285 C PHE A 37 0.202 4.012 4.608 1.00 0.00 C ATOM 286 O PHE A 37 0.474 3.740 5.803 1.00 0.00 O ATOM 287 CB PHE A 37 -0.951 6.229 4.758 1.00 0.00 C ATOM 288 CG PHE A 37 -0.024 6.514 5.951 1.00 0.00 C ATOM 289 CD1 PHE A 37 1.361 6.378 5.835 1.00 0.00 C ATOM 290 CD2 PHE A 37 -0.572 6.975 7.153 1.00 0.00 C ATOM 291 CE1 PHE A 37 2.188 6.707 6.907 1.00 0.00 C ATOM 292 CE2 PHE A 37 0.254 7.316 8.218 1.00 0.00 C ATOM 293 CZ PHE A 37 1.635 7.179 8.095 1.00 0.00 C ATOM 0 H PHE A 37 -2.155 4.134 5.962 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.237 4.762 3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.611 6.833 3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.950 6.578 5.018 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.792 6.017 4.913 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.643 7.067 7.254 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.258 6.596 6.817 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.174 7.686 9.138 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.278 7.439 8.923 1.00 0.00 H new ATOM 294 N CYS A 38 1.091 3.574 3.513 1.00 0.00 N ATOM 295 CA CYS A 38 2.210 2.670 3.742 1.00 0.00 C ATOM 296 C CYS A 38 3.455 3.032 2.976 1.00 0.00 C ATOM 297 O CYS A 38 3.401 3.725 1.942 1.00 0.00 O ATOM 298 CB CYS A 38 1.739 1.237 3.349 1.00 0.00 C ATOM 299 SG CYS A 38 3.039 0.026 3.692 1.00 0.00 S ATOM 0 H CYS A 38 0.983 3.869 2.543 1.00 0.00 H new ATOM 0 HA CYS A 38 2.489 2.737 4.794 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.838 0.979 3.905 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.479 1.211 2.291 1.00 0.00 H new ATOM 300 N ARG A 39 4.742 2.549 3.515 1.00 0.00 N ATOM 301 CA ARG A 39 5.969 2.605 2.705 1.00 0.00 C ATOM 302 C ARG A 39 5.895 1.475 1.696 1.00 0.00 C ATOM 303 O ARG A 39 5.957 0.291 2.051 1.00 0.00 O ATOM 304 CB ARG A 39 7.206 2.512 3.629 1.00 0.00 C ATOM 305 CG ARG A 39 8.469 3.265 3.129 1.00 0.00 C ATOM 306 CD ARG A 39 9.550 3.385 4.211 1.00 0.00 C ATOM 307 NE ARG A 39 10.299 2.105 4.274 1.00 0.00 N ATOM 308 CZ ARG A 39 10.862 1.594 5.361 1.00 0.00 C ATOM 309 NH1 ARG A 39 10.833 2.155 6.534 1.00 0.00 N ATOM 310 NH2 ARG A 39 11.476 0.471 5.240 1.00 0.00 N ATOM 0 H ARG A 39 4.864 2.159 4.449 1.00 0.00 H new ATOM 0 HA ARG A 39 6.062 3.548 2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.936 2.902 4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.460 1.461 3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.881 2.743 2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.184 4.262 2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.226 4.208 3.981 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.096 3.606 5.177 1.00 0.00 H new ATOM 0 HE ARG A 39 10.388 1.573 3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.354 3.047 6.661 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.289 1.703 7.327 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.517 0.007 4.332 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.923 0.044 6.052 1.00 0.00 H new ATOM 311 N PRO A 40 5.776 1.873 0.285 1.00 0.00 N ATOM 312 CA PRO A 40 5.632 0.918 -0.928 1.00 0.00 C ATOM 313 C PRO A 40 5.992 -0.514 -0.638 1.00 0.00 C ATOM 314 O PRO A 40 7.099 -0.991 -0.920 1.00 0.00 O ATOM 315 CB PRO A 40 6.531 1.566 -1.975 1.00 0.00 C ATOM 316 CG PRO A 40 6.139 3.047 -1.782 1.00 0.00 C ATOM 317 CD PRO A 40 5.769 3.233 -0.303 1.00 0.00 C ATOM 0 HA PRO A 40 4.596 0.818 -1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.589 1.386 -1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.323 1.207 -2.983 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.966 3.702 -2.057 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.298 3.309 -2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.485 3.882 0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.789 3.699 -0.200 1.00 0.00 H new ATOM 318 N SER A 41 4.932 -1.348 -0.002 1.00 0.00 N ATOM 319 CA SER A 41 5.211 -2.689 0.495 1.00 0.00 C ATOM 320 C SER A 41 4.030 -3.629 0.502 1.00 0.00 C ATOM 321 O SER A 41 4.203 -4.845 0.241 1.00 0.00 O ATOM 322 CB SER A 41 5.878 -2.622 1.897 1.00 0.00 C ATOM 323 OG SER A 41 6.337 -3.898 2.353 1.00 0.00 O ATOM 0 H SER A 41 3.967 -1.044 0.124 1.00 0.00 H new ATOM 0 HA SER A 41 5.905 -3.123 -0.225 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.719 -1.930 1.862 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.164 -2.220 2.615 1.00 0.00 H new ATOM 0 HG SER A 41 5.646 -4.315 2.909 1.00 0.00 H new ATOM 324 N CYS A 42 2.671 -3.093 0.782 1.00 0.00 N ATOM 325 CA CYS A 42 1.536 -3.997 0.976 1.00 0.00 C ATOM 326 C CYS A 42 1.403 -4.899 -0.239 1.00 0.00 C ATOM 327 O CYS A 42 0.894 -4.514 -1.299 1.00 0.00 O ATOM 328 CB CYS A 42 0.240 -3.292 1.393 1.00 0.00 C ATOM 329 SG CYS A 42 0.459 -1.713 2.241 1.00 0.00 S ATOM 0 H CYS A 42 2.446 -2.101 0.855 1.00 0.00 H new ATOM 0 HA CYS A 42 1.742 -4.629 1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.367 -3.126 0.503 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.324 -3.960 2.044 1.00 0.00 H new ATOM 330 N ARG A 43 1.957 -6.264 -0.098 1.00 0.00 N ATOM 331 CA ARG A 43 2.124 -7.200 -1.201 1.00 0.00 C ATOM 332 C ARG A 43 0.830 -7.712 -1.780 1.00 0.00 C ATOM 333 O ARG A 43 0.697 -7.858 -3.016 1.00 0.00 O ATOM 334 CB ARG A 43 3.035 -8.368 -0.712 1.00 0.00 C ATOM 335 CG ARG A 43 4.032 -7.972 0.408 1.00 0.00 C ATOM 336 CD ARG A 43 4.459 -9.163 1.274 1.00 0.00 C ATOM 337 NE ARG A 43 5.929 -9.101 1.476 1.00 0.00 N ATOM 338 CZ ARG A 43 6.693 -10.104 1.886 1.00 0.00 C ATOM 339 NH1 ARG A 43 6.253 -11.295 2.166 1.00 0.00 N ATOM 340 NH2 ARG A 43 7.953 -9.878 2.014 1.00 0.00 N ATOM 0 H ARG A 43 2.263 -6.642 0.798 1.00 0.00 H new ATOM 0 HA ARG A 43 2.592 -6.664 -2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.403 -9.179 -0.350 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.596 -8.756 -1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.916 -7.521 -0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.575 -7.213 1.043 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.944 -9.136 2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.183 -10.100 0.791 1.00 0.00 H new ATOM 0 HE ARG A 43 6.390 -8.212 1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.259 -11.506 2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.902 -12.018 2.477 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.329 -8.954 1.803 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.576 -10.623 2.327 1.00 0.00 H new ATOM 341 N ALA A 44 -0.263 -8.064 -0.850 1.00 0.00 N ATOM 342 CA ALA A 44 -1.479 -8.725 -1.306 1.00 0.00 C ATOM 343 C ALA A 44 -2.211 -7.845 -2.304 1.00 0.00 C ATOM 344 O ALA A 44 -1.800 -6.727 -2.634 1.00 0.00 O ATOM 345 CB ALA A 44 -2.344 -9.060 -0.080 1.00 0.00 C ATOM 0 H ALA A 44 -0.240 -7.872 0.152 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.239 -9.654 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.259 -9.556 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.790 -9.721 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.597 -8.141 0.449 1.00 0.00 H new ATOM 346 N ARG A 45 -3.439 -8.454 -2.880 1.00 0.00 N ATOM 347 CA ARG A 45 -4.267 -7.732 -3.841 1.00 0.00 C ATOM 348 C ARG A 45 -4.599 -6.351 -3.313 1.00 0.00 C ATOM 349 O ARG A 45 -4.803 -5.391 -4.068 1.00 0.00 O ATOM 350 CB ARG A 45 -5.544 -8.561 -4.141 1.00 0.00 C ATOM 351 CG ARG A 45 -5.286 -10.043 -4.524 1.00 0.00 C ATOM 352 CD ARG A 45 -5.877 -10.411 -5.891 1.00 0.00 C ATOM 353 NE ARG A 45 -7.265 -9.888 -5.956 1.00 0.00 N ATOM 354 CZ ARG A 45 -8.034 -9.880 -7.037 1.00 0.00 C ATOM 355 NH1 ARG A 45 -7.670 -10.332 -8.200 1.00 0.00 N ATOM 356 NH2 ARG A 45 -9.218 -9.391 -6.918 1.00 0.00 N ATOM 0 H ARG A 45 -3.775 -9.389 -2.649 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.722 -7.597 -4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.191 -8.535 -3.264 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.089 -8.080 -4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.212 -10.230 -4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.715 -10.692 -3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.273 -9.985 -6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.872 -11.492 -6.028 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.660 -9.503 -5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.738 -10.726 -8.325 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.317 -10.293 -8.988 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.532 -9.029 -6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.843 -9.365 -7.724 1.00 0.00 H new ATOM 357 N HIS A 46 -4.623 -6.215 -1.841 1.00 0.00 N ATOM 358 CA HIS A 46 -4.749 -4.930 -1.162 1.00 0.00 C ATOM 359 C HIS A 46 -5.741 -4.020 -1.845 1.00 0.00 C ATOM 360 O HIS A 46 -6.963 -4.127 -1.648 1.00 0.00 O ATOM 361 CB HIS A 46 -3.345 -4.303 -1.157 1.00 0.00 C ATOM 362 CG HIS A 46 -3.335 -2.923 -0.567 1.00 0.00 C ATOM 363 ND1 HIS A 46 -4.356 -2.353 0.189 1.00 0.00 N ATOM 364 CD2 HIS A 46 -2.269 -2.048 -0.724 1.00 0.00 C ATOM 365 CE1 HIS A 46 -3.810 -1.148 0.441 1.00 0.00 C ATOM 366 NE2 HIS A 46 -2.576 -0.885 -0.067 1.00 0.00 N ATOM 0 H HIS A 46 -4.553 -7.010 -1.205 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.128 -5.074 -0.150 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.667 -4.942 -0.591 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.965 -4.261 -2.178 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -5.258 -2.737 0.471 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.358 -2.248 -1.268 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.337 -0.412 1.030 1.00 0.00 H new ATOM 367 N ALA A 47 -5.194 -3.020 -2.788 1.00 0.00 N ATOM 368 CA ALA A 47 -6.032 -1.977 -3.375 1.00 0.00 C ATOM 369 C ALA A 47 -5.345 -1.327 -4.553 1.00 0.00 C ATOM 370 O ALA A 47 -4.113 -1.345 -4.682 1.00 0.00 O ATOM 371 CB ALA A 47 -6.376 -0.975 -2.260 1.00 0.00 C ATOM 0 H ALA A 47 -4.218 -2.992 -3.085 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.955 -2.399 -3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.003 -0.181 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.912 -1.489 -1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.457 -0.545 -1.861 1.00 0.00 H new ATOM 372 N LEU A 48 -6.223 -0.640 -5.525 1.00 0.00 N ATOM 373 CA LEU A 48 -5.691 0.035 -6.704 1.00 0.00 C ATOM 374 C LEU A 48 -5.042 1.349 -6.334 1.00 0.00 C ATOM 375 O LEU A 48 -5.196 1.867 -5.220 1.00 0.00 O ATOM 376 CB LEU A 48 -6.809 0.250 -7.764 1.00 0.00 C ATOM 377 CG LEU A 48 -8.270 0.420 -7.265 1.00 0.00 C ATOM 378 CD1 LEU A 48 -8.304 1.335 -6.033 1.00 0.00 C ATOM 379 CD2 LEU A 48 -9.207 0.977 -8.349 1.00 0.00 C ATOM 0 H LEU A 48 -7.238 -0.593 -5.438 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.923 -0.605 -7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.551 1.135 -8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.787 -0.599 -8.448 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.632 -0.574 -7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.333 1.447 -5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.703 0.896 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.900 2.313 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.214 1.075 -7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.849 1.955 -8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.223 0.297 -9.201 1.00 0.00 H new ATOM 380 N ARG A 49 -4.242 1.999 -7.395 1.00 0.00 N ATOM 381 CA ARG A 49 -3.694 3.349 -7.259 1.00 0.00 C ATOM 382 C ARG A 49 -4.717 4.389 -7.639 1.00 0.00 C ATOM 383 O ARG A 49 -4.428 5.595 -7.715 1.00 0.00 O ATOM 384 CB ARG A 49 -2.417 3.439 -8.146 1.00 0.00 C ATOM 385 CG ARG A 49 -1.870 4.861 -8.435 1.00 0.00 C ATOM 386 CD ARG A 49 -2.474 5.475 -9.707 1.00 0.00 C ATOM 387 NE ARG A 49 -1.364 5.899 -10.597 1.00 0.00 N ATOM 388 CZ ARG A 49 -1.430 6.868 -11.501 1.00 0.00 C ATOM 389 NH1 ARG A 49 -2.488 7.590 -11.727 1.00 0.00 N ATOM 390 NH2 ARG A 49 -0.375 7.103 -12.197 1.00 0.00 N ATOM 0 H ARG A 49 -4.021 1.552 -8.285 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.429 3.548 -6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.627 2.862 -7.665 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.630 2.956 -9.100 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.084 5.509 -7.585 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.786 4.816 -8.536 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.110 4.749 -10.214 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.104 6.328 -9.454 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.477 5.404 -10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.341 7.427 -11.192 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.465 8.319 -12.440 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.470 6.553 -12.044 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.383 7.839 -12.903 1.00 0.00 H new ATOM 391 N GLU A 50 -6.102 3.919 -7.873 1.00 0.00 N ATOM 392 CA GLU A 50 -7.135 4.775 -8.440 1.00 0.00 C ATOM 393 C GLU A 50 -7.864 5.605 -7.415 1.00 0.00 C ATOM 394 O GLU A 50 -8.762 6.404 -7.783 1.00 0.00 O ATOM 395 CB GLU A 50 -8.130 3.874 -9.235 1.00 0.00 C ATOM 396 CG GLU A 50 -7.507 2.762 -10.143 1.00 0.00 C ATOM 397 CD GLU A 50 -7.932 2.696 -11.612 1.00 0.00 C ATOM 398 OE1 GLU A 50 -9.222 2.300 -11.792 1.00 0.00 O ATOM 399 OE2 GLU A 50 -7.180 2.974 -12.536 1.00 0.00 O ATOM 0 H GLU A 50 -6.420 2.975 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.651 5.497 -9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.798 3.394 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.745 4.519 -9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.424 2.880 -10.116 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.734 1.797 -9.689 1.00 0.00 H new ATOM 400 N ASN A 51 -7.513 5.473 -5.993 1.00 0.00 N ATOM 401 CA ASN A 51 -8.066 6.390 -4.964 1.00 0.00 C ATOM 402 C ASN A 51 -6.946 6.720 -4.005 1.00 0.00 C ATOM 403 O ASN A 51 -7.086 7.055 -2.822 1.00 0.00 O ATOM 404 CB ASN A 51 -9.221 5.655 -4.242 1.00 0.00 C ATOM 405 CG ASN A 51 -8.993 5.126 -2.821 1.00 0.00 C ATOM 406 OD1 ASN A 51 -9.641 5.521 -1.864 1.00 0.00 O ATOM 407 ND2 ASN A 51 -8.071 4.221 -2.632 1.00 0.00 N ATOM 0 H ASN A 51 -6.882 4.761 -5.626 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.454 7.313 -5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.073 6.335 -4.207 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.513 4.810 -4.865 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.901 3.854 -1.696 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.521 3.881 -3.421 1.00 0.00 H new ATOM 408 N VAL A 52 -5.576 6.564 -4.600 1.00 0.00 N ATOM 409 CA VAL A 52 -4.364 6.523 -3.788 1.00 0.00 C ATOM 410 C VAL A 52 -3.664 7.853 -3.807 1.00 0.00 C ATOM 411 O VAL A 52 -3.670 8.553 -4.851 1.00 0.00 O ATOM 412 CB VAL A 52 -3.434 5.340 -4.298 1.00 0.00 C ATOM 413 CG1 VAL A 52 -2.243 5.723 -5.212 1.00 0.00 C ATOM 414 CG2 VAL A 52 -2.823 4.503 -3.144 1.00 0.00 C ATOM 0 H VAL A 52 -5.405 6.477 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.622 6.326 -2.747 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.154 4.776 -4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.692 4.824 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.617 6.209 -6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.581 6.406 -4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.199 3.712 -3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.216 5.148 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.624 4.060 -2.552 1.00 0.00 H new ATOM 415 N SER A 53 -3.006 8.345 -2.579 1.00 0.00 N ATOM 416 CA SER A 53 -2.168 9.545 -2.580 1.00 0.00 C ATOM 417 C SER A 53 -0.705 9.180 -2.499 1.00 0.00 C ATOM 418 O SER A 53 -0.339 8.002 -2.350 1.00 0.00 O ATOM 419 CB SER A 53 -2.592 10.525 -1.461 1.00 0.00 C ATOM 420 OG SER A 53 -1.662 11.599 -1.276 1.00 0.00 O ATOM 0 H SER A 53 -3.090 7.892 -1.669 1.00 0.00 H new ATOM 0 HA SER A 53 -2.317 10.066 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.572 10.938 -1.699 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.696 9.976 -0.525 1.00 0.00 H new ATOM 0 HG SER A 53 -1.980 12.187 -0.559 1.00 0.00 H new ATOM 421 N PHE A 54 0.278 10.279 -2.646 1.00 0.00 N ATOM 422 CA PHE A 54 1.710 10.053 -2.461 1.00 0.00 C ATOM 423 C PHE A 54 2.352 11.145 -1.638 1.00 0.00 C ATOM 424 O PHE A 54 1.895 12.297 -1.614 1.00 0.00 O ATOM 425 CB PHE A 54 2.431 9.980 -3.842 1.00 0.00 C ATOM 426 CG PHE A 54 1.946 8.901 -4.822 1.00 0.00 C ATOM 427 CD1 PHE A 54 1.566 7.644 -4.339 1.00 0.00 C ATOM 428 CD2 PHE A 54 1.888 9.156 -6.195 1.00 0.00 C ATOM 429 CE1 PHE A 54 1.128 6.657 -5.215 1.00 0.00 C ATOM 430 CE2 PHE A 54 1.451 8.167 -7.072 1.00 0.00 C ATOM 431 CZ PHE A 54 1.071 6.918 -6.582 1.00 0.00 C ATOM 0 H PHE A 54 0.029 11.240 -2.880 1.00 0.00 H new ATOM 0 HA PHE A 54 1.815 9.107 -1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.331 10.950 -4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.494 9.822 -3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.613 7.439 -3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.183 10.122 -6.576 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.833 5.690 -4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.406 8.367 -8.132 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.732 6.152 -7.264 1.00 0.00 H new ATOM 432 N TYR A 55 3.577 10.779 -0.890 1.00 0.00 N ATOM 433 CA TYR A 55 4.383 11.767 -0.180 1.00 0.00 C ATOM 434 C TYR A 55 5.829 11.336 -0.109 1.00 0.00 C ATOM 435 O TYR A 55 6.141 10.131 -0.162 1.00 0.00 O ATOM 436 CB TYR A 55 3.867 11.942 1.281 1.00 0.00 C ATOM 437 CG TYR A 55 2.421 11.520 1.565 1.00 0.00 C ATOM 438 CD1 TYR A 55 2.041 10.176 1.517 1.00 0.00 C ATOM 439 CD2 TYR A 55 1.450 12.491 1.871 1.00 0.00 C ATOM 440 CE1 TYR A 55 0.726 9.802 1.774 1.00 0.00 C ATOM 441 CE2 TYR A 55 0.136 12.115 2.128 1.00 0.00 C ATOM 442 CZ TYR A 55 -0.226 10.772 2.080 1.00 0.00 C ATOM 443 OH TYR A 55 -1.518 10.409 2.338 1.00 0.00 O ATOM 0 H TYR A 55 3.933 9.826 -0.823 1.00 0.00 H new ATOM 0 HA TYR A 55 4.301 12.705 -0.729 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.522 11.373 1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.973 12.992 1.554 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.775 9.421 1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.727 13.534 1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.443 8.760 1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.604 12.865 2.365 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.049 11.209 2.534 1.00 0.00 H new ATOM 444 N ALA A 56 6.868 12.378 0.060 1.00 0.00 N ATOM 445 CA ALA A 56 8.285 12.050 0.196 1.00 0.00 C ATOM 446 C ALA A 56 8.571 11.287 1.467 1.00 0.00 C ATOM 447 O ALA A 56 9.487 10.445 1.520 1.00 0.00 O ATOM 448 CB ALA A 56 9.088 13.359 0.096 1.00 0.00 C ATOM 0 H ALA A 56 6.666 13.377 0.092 1.00 0.00 H new ATOM 0 HA ALA A 56 8.589 11.380 -0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.152 13.142 0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.901 13.827 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.781 14.036 0.893 1.00 0.00 H new ATOM 449 N ASN A 57 7.749 11.603 2.656 1.00 0.00 N ATOM 450 CA ASN A 57 7.862 10.837 3.894 1.00 0.00 C ATOM 451 C ASN A 57 6.520 10.681 4.570 1.00 0.00 C ATOM 452 O ASN A 57 5.603 11.495 4.399 1.00 0.00 O ATOM 453 CB ASN A 57 8.882 11.524 4.848 1.00 0.00 C ATOM 454 CG ASN A 57 9.071 10.894 6.232 1.00 0.00 C ATOM 455 OD1 ASN A 57 8.697 11.444 7.258 1.00 0.00 O ATOM 456 ND2 ASN A 57 9.645 9.725 6.317 1.00 0.00 N ATOM 0 H ASN A 57 7.065 12.359 2.690 1.00 0.00 H new ATOM 0 HA ASN A 57 8.221 9.838 3.648 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.851 11.545 4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.572 12.560 4.986 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.775 9.286 7.228 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.964 9.251 5.472 1.00 0.00 H new ATOM 457 N ALA A 58 6.353 9.479 5.418 1.00 0.00 N ATOM 458 CA ALA A 58 5.092 9.170 6.085 1.00 0.00 C ATOM 459 C ALA A 58 4.701 10.248 7.067 1.00 0.00 C ATOM 460 O ALA A 58 3.532 10.352 7.479 1.00 0.00 O ATOM 461 CB ALA A 58 5.235 7.788 6.747 1.00 0.00 C ATOM 0 H ALA A 58 7.094 8.799 5.589 1.00 0.00 H new ATOM 0 HA ALA A 58 4.280 9.138 5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.306 7.530 7.255 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.452 7.040 5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.049 7.814 7.472 1.00 0.00 H new ATOM 462 N SER A 59 5.772 11.148 7.547 1.00 0.00 N ATOM 463 CA SER A 59 5.492 12.259 8.454 1.00 0.00 C ATOM 464 C SER A 59 4.316 13.070 7.960 1.00 0.00 C ATOM 465 O SER A 59 3.407 13.433 8.718 1.00 0.00 O ATOM 466 CB SER A 59 6.746 13.144 8.661 1.00 0.00 C ATOM 467 OG SER A 59 6.633 14.427 8.035 1.00 0.00 O ATOM 0 H SER A 59 6.753 11.056 7.284 1.00 0.00 H new ATOM 0 HA SER A 59 5.225 11.844 9.426 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.916 13.280 9.729 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.619 12.627 8.263 1.00 0.00 H new ATOM 0 HG SER A 59 7.449 14.944 8.198 1.00 0.00 H new ATOM 468 N GLU A 60 4.336 13.437 6.526 1.00 0.00 N ATOM 469 CA GLU A 60 3.302 14.274 5.925 1.00 0.00 C ATOM 470 C GLU A 60 1.985 13.546 5.812 1.00 0.00 C ATOM 471 O GLU A 60 0.917 14.095 6.151 1.00 0.00 O ATOM 472 CB GLU A 60 3.815 14.781 4.549 1.00 0.00 C ATOM 473 CG GLU A 60 2.931 14.490 3.292 1.00 0.00 C ATOM 474 CD GLU A 60 2.872 15.544 2.184 1.00 0.00 C ATOM 475 OE1 GLU A 60 4.096 15.989 1.785 1.00 0.00 O ATOM 476 OE2 GLU A 60 1.821 15.946 1.703 1.00 0.00 O ATOM 0 H GLU A 60 5.060 13.135 5.874 1.00 0.00 H new ATOM 0 HA GLU A 60 3.107 15.131 6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.953 15.860 4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.799 14.344 4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.283 13.560 2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.912 14.313 3.636 1.00 0.00 H new ATOM 477 N ALA A 61 1.993 12.176 5.250 1.00 0.00 N ATOM 478 CA ALA A 61 0.800 11.336 5.258 1.00 0.00 C ATOM 479 C ALA A 61 0.164 11.257 6.626 1.00 0.00 C ATOM 480 O ALA A 61 -1.056 11.037 6.750 1.00 0.00 O ATOM 481 CB ALA A 61 1.193 9.956 4.704 1.00 0.00 C ATOM 0 H ALA A 61 2.813 11.738 4.830 1.00 0.00 H new ATOM 0 HA ALA A 61 0.032 11.776 4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.319 9.304 4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.571 10.066 3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.968 9.518 5.334 1.00 0.00 H new ATOM 482 N LEU A 62 1.043 11.401 7.805 1.00 0.00 N ATOM 483 CA LEU A 62 0.498 11.469 9.163 1.00 0.00 C ATOM 484 C LEU A 62 -0.109 12.826 9.423 1.00 0.00 C ATOM 485 O LEU A 62 -1.183 12.950 10.035 1.00 0.00 O ATOM 486 CB LEU A 62 1.583 11.113 10.216 1.00 0.00 C ATOM 487 CG LEU A 62 1.291 9.945 11.200 1.00 0.00 C ATOM 488 CD1 LEU A 62 2.582 9.170 11.497 1.00 0.00 C ATOM 489 CD2 LEU A 62 0.656 10.422 12.516 1.00 0.00 C ATOM 0 H LEU A 62 2.060 11.461 7.754 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.296 10.728 9.254 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.503 10.876 9.681 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.780 12.007 10.808 1.00 0.00 H new ATOM 0 HG LEU A 62 0.568 9.292 10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.366 8.354 12.187 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.984 8.763 10.569 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.314 9.841 11.946 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.474 9.565 13.164 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.331 11.117 13.015 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.288 10.923 12.304 1.00 0.00 H new ATOM 490 N ALA A 63 0.656 14.001 8.955 1.00 0.00 N ATOM 491 CA ALA A 63 0.080 15.349 8.980 1.00 0.00 C ATOM 492 C ALA A 63 -1.233 15.371 8.235 1.00 0.00 C ATOM 493 O ALA A 63 -2.116 16.202 8.488 1.00 0.00 O ATOM 494 CB ALA A 63 1.120 16.328 8.414 1.00 0.00 C ATOM 0 H ALA A 63 1.609 13.955 8.593 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.152 15.659 9.999 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.711 17.338 8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.021 16.295 9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.366 16.046 7.390 1.00 0.00 H new ATOM 495 N ALA A 64 -1.422 14.319 7.208 1.00 0.00 N ATOM 496 CA ALA A 64 -2.708 14.115 6.548 1.00 0.00 C ATOM 497 C ALA A 64 -3.712 13.602 7.570 1.00 0.00 C ATOM 498 O ALA A 64 -4.885 13.991 7.613 1.00 0.00 O ATOM 499 CB ALA A 64 -2.494 13.137 5.384 1.00 0.00 C ATOM 0 H ALA A 64 -0.685 13.683 6.901 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.109 15.043 6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.442 12.967 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.774 13.558 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.114 12.191 5.769 1.00 0.00 H new ATOM 500 N GLY A 65 -3.155 12.624 8.537 1.00 0.00 N ATOM 501 CA GLY A 65 -3.918 12.148 9.687 1.00 0.00 C ATOM 502 C GLY A 65 -4.393 10.726 9.433 1.00 0.00 C ATOM 503 O GLY A 65 -5.406 10.257 9.966 1.00 0.00 O ATOM 0 H GLY A 65 -2.219 12.226 8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.300 12.181 10.584 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.772 12.801 9.864 1.00 0.00 H new ATOM 504 N PHE A 66 -3.573 9.958 8.470 1.00 0.00 N ATOM 505 CA PHE A 66 -3.971 8.647 7.971 1.00 0.00 C ATOM 506 C PHE A 66 -3.370 7.525 8.779 1.00 0.00 C ATOM 507 O PHE A 66 -2.699 7.766 9.808 1.00 0.00 O ATOM 508 CB PHE A 66 -3.536 8.502 6.478 1.00 0.00 C ATOM 509 CG PHE A 66 -4.406 7.556 5.637 1.00 0.00 C ATOM 510 CD1 PHE A 66 -5.761 7.389 5.952 1.00 0.00 C ATOM 511 CD2 PHE A 66 -3.847 6.833 4.580 1.00 0.00 C ATOM 512 CE1 PHE A 66 -6.545 6.511 5.208 1.00 0.00 C ATOM 513 CE2 PHE A 66 -4.632 5.957 3.838 1.00 0.00 C ATOM 514 CZ PHE A 66 -5.978 5.795 4.155 1.00 0.00 C ATOM 0 H PHE A 66 -2.685 10.292 8.096 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.055 8.576 8.060 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.546 9.489 6.015 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.506 8.147 6.448 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.197 7.941 6.771 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.801 6.955 4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.591 6.385 5.446 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.199 5.404 3.018 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.586 5.111 3.582 1.00 0.00 H new ATOM 515 N ARG A 67 -3.562 6.136 8.306 1.00 0.00 N ATOM 516 CA ARG A 67 -3.163 4.990 9.130 1.00 0.00 C ATOM 517 C ARG A 67 -1.801 4.457 8.763 1.00 0.00 C ATOM 518 O ARG A 67 -1.569 3.930 7.668 1.00 0.00 O ATOM 519 CB ARG A 67 -4.259 3.894 9.040 1.00 0.00 C ATOM 520 CG ARG A 67 -4.360 2.971 10.285 1.00 0.00 C ATOM 521 CD ARG A 67 -3.020 2.315 10.639 1.00 0.00 C ATOM 522 NE ARG A 67 -3.292 0.974 11.215 1.00 0.00 N ATOM 523 CZ ARG A 67 -3.066 0.615 12.472 1.00 0.00 C ATOM 524 NH1 ARG A 67 -2.571 1.401 13.381 1.00 0.00 N ATOM 525 NH2 ARG A 67 -3.360 -0.591 12.807 1.00 0.00 N ATOM 0 H ARG A 67 -3.971 5.889 7.405 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.074 5.323 10.164 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.224 4.377 8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.065 3.277 8.162 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.713 3.552 11.137 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.103 2.195 10.099 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.395 2.226 9.751 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.473 2.931 11.353 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.686 0.269 10.592 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.329 2.364 13.146 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.424 1.055 14.329 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.751 -1.231 12.116 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.202 -0.908 13.764 1.00 0.00 H new ATOM 526 N PRO A 68 -0.753 4.565 9.805 1.00 0.00 N ATOM 527 CA PRO A 68 0.705 4.124 9.687 1.00 0.00 C ATOM 528 C PRO A 68 0.911 2.656 9.383 1.00 0.00 C ATOM 529 O PRO A 68 0.727 1.794 10.267 1.00 0.00 O ATOM 530 CB PRO A 68 1.375 4.425 11.027 1.00 0.00 C ATOM 531 CG PRO A 68 0.185 4.471 11.996 1.00 0.00 C ATOM 532 CD PRO A 68 -0.926 5.128 11.167 1.00 0.00 C ATOM 0 HA PRO A 68 1.130 4.667 8.843 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.093 3.653 11.303 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.917 5.371 11.006 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.100 3.473 12.330 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.417 5.052 12.889 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.912 4.897 11.570 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -0.830 6.214 11.163 1.00 0.00 H new ATOM 533 N CYS A 69 1.298 2.265 8.012 1.00 0.00 N ATOM 534 CA CYS A 69 1.696 0.904 7.642 1.00 0.00 C ATOM 535 C CYS A 69 3.190 0.844 7.413 1.00 0.00 C ATOM 536 O CYS A 69 3.758 1.312 6.418 1.00 0.00 O ATOM 537 CB CYS A 69 0.826 0.474 6.446 1.00 0.00 C ATOM 538 SG CYS A 69 0.916 -1.284 6.071 1.00 0.00 S ATOM 0 H CYS A 69 1.313 2.921 7.231 1.00 0.00 H new ATOM 0 HA CYS A 69 1.517 0.183 8.440 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -0.211 0.739 6.650 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.132 1.039 5.566 1.00 0.00 H new ATOM 539 N LYS A 70 3.970 0.207 8.519 1.00 0.00 N ATOM 540 CA LYS A 70 5.424 0.205 8.579 1.00 0.00 C ATOM 541 C LYS A 70 6.000 -1.011 7.895 1.00 0.00 C ATOM 542 O LYS A 70 6.478 -0.925 6.741 1.00 0.00 O ATOM 543 CB LYS A 70 5.885 0.287 10.061 1.00 0.00 C ATOM 544 CG LYS A 70 5.544 1.641 10.733 1.00 0.00 C ATOM 545 CD LYS A 70 6.671 2.250 11.571 1.00 0.00 C ATOM 546 CE LYS A 70 7.287 1.159 12.458 1.00 0.00 C ATOM 547 NZ LYS A 70 7.828 1.774 13.684 1.00 0.00 N ATOM 0 H LYS A 70 3.530 -0.269 9.306 1.00 0.00 H new ATOM 0 HA LYS A 70 5.797 1.079 8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.417 -0.519 10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.962 0.126 10.109 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.263 2.353 9.958 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.671 1.503 11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.433 2.679 10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.284 3.061 12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.534 0.414 12.713 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.079 0.640 11.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.246 1.037 14.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.559 2.469 13.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.061 2.250 14.201 1.00 0.00 H new ATOM 548 N ARG A 71 6.014 -2.286 8.641 1.00 0.00 N ATOM 549 CA ARG A 71 6.382 -3.548 7.964 1.00 0.00 C ATOM 550 C ARG A 71 5.359 -3.787 6.872 1.00 0.00 C ATOM 551 O ARG A 71 5.635 -3.644 5.675 1.00 0.00 O ATOM 552 CB ARG A 71 6.431 -4.691 9.003 1.00 0.00 C ATOM 553 CG ARG A 71 6.112 -6.108 8.451 1.00 0.00 C ATOM 554 CD ARG A 71 6.994 -7.197 9.073 1.00 0.00 C ATOM 555 NE ARG A 71 6.313 -7.722 10.284 1.00 0.00 N ATOM 556 CZ ARG A 71 5.529 -8.791 10.325 1.00 0.00 C ATOM 557 NH1 ARG A 71 5.245 -9.532 9.295 1.00 0.00 N ATOM 558 NH2 ARG A 71 5.022 -9.112 11.462 1.00 0.00 N ATOM 0 H ARG A 71 5.781 -2.380 9.630 1.00 0.00 H new ATOM 0 HA ARG A 71 7.372 -3.499 7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.424 -4.709 9.451 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.725 -4.463 9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.065 -6.341 8.643 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.246 -6.111 7.369 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.165 -8.001 8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.971 -6.790 9.334 1.00 0.00 H new ATOM 0 HE ARG A 71 6.461 -7.218 11.158 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.634 -9.304 8.380 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.633 -10.341 9.402 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.228 -8.551 12.289 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.414 -9.927 11.537 1.00 0.00 H new ATOM 559 N CYS A 72 4.030 -4.239 7.335 1.00 0.00 N ATOM 560 CA CYS A 72 2.857 -4.289 6.478 1.00 0.00 C ATOM 561 C CYS A 72 1.653 -4.827 7.237 1.00 0.00 C ATOM 562 O CYS A 72 1.217 -5.973 7.066 1.00 0.00 O ATOM 563 CB CYS A 72 3.164 -5.009 5.153 1.00 0.00 C ATOM 564 SG CYS A 72 3.264 -3.805 3.787 1.00 0.00 S ATOM 0 H CYS A 72 3.850 -4.547 8.291 1.00 0.00 H new ATOM 0 HA CYS A 72 2.580 -3.276 6.185 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.105 -5.553 5.237 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.388 -5.744 4.942 1.00 0.00 H new ATOM 565 N GLN A 73 1.015 -3.877 8.166 1.00 0.00 N ATOM 566 CA GLN A 73 -0.226 -4.175 8.915 1.00 0.00 C ATOM 567 C GLN A 73 -1.218 -4.931 8.081 1.00 0.00 C ATOM 568 O GLN A 73 -1.332 -4.748 6.860 1.00 0.00 O ATOM 569 CB GLN A 73 -0.820 -2.827 9.411 1.00 0.00 C ATOM 570 CG GLN A 73 -1.071 -2.700 10.949 1.00 0.00 C ATOM 571 CD GLN A 73 0.067 -2.210 11.854 1.00 0.00 C ATOM 572 OE1 GLN A 73 0.732 -2.994 12.513 1.00 0.00 O ATOM 573 NE2 GLN A 73 0.355 -0.934 11.908 1.00 0.00 N ATOM 0 H GLN A 73 1.390 -2.947 8.354 1.00 0.00 H new ATOM 0 HA GLN A 73 0.008 -4.819 9.763 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.147 -2.025 9.108 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.766 -2.661 8.896 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.916 -2.025 11.089 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.381 -3.679 11.313 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.190 -0.265 11.364 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.124 -0.609 12.494 1.00 0.00 H new ATOM 574 N PRO A 74 -2.039 -5.938 8.793 1.00 0.00 N ATOM 575 CA PRO A 74 -3.103 -6.849 8.182 1.00 0.00 C ATOM 576 C PRO A 74 -4.161 -6.144 7.359 1.00 0.00 C ATOM 577 O PRO A 74 -4.160 -6.209 6.119 1.00 0.00 O ATOM 578 CB PRO A 74 -3.789 -7.564 9.338 1.00 0.00 C ATOM 579 CG PRO A 74 -2.656 -7.624 10.375 1.00 0.00 C ATOM 580 CD PRO A 74 -1.978 -6.255 10.241 1.00 0.00 C ATOM 0 HA PRO A 74 -2.592 -7.516 7.488 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.654 -7.012 9.707 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.140 -8.557 9.056 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.041 -7.785 11.382 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.962 -8.438 10.165 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.494 -5.499 10.833 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.948 -6.288 10.595 1.00 0.00 H new ATOM 581 N ASP A 75 -5.168 -5.348 8.093 1.00 0.00 N ATOM 582 CA ASP A 75 -6.329 -4.771 7.420 1.00 0.00 C ATOM 583 C ASP A 75 -7.223 -4.034 8.387 1.00 0.00 C ATOM 584 O ASP A 75 -7.257 -2.795 8.440 1.00 0.00 O ATOM 585 CB ASP A 75 -7.102 -5.878 6.653 1.00 0.00 C ATOM 586 CG ASP A 75 -7.704 -5.484 5.297 1.00 0.00 C ATOM 587 OD1 ASP A 75 -8.808 -4.972 5.180 1.00 0.00 O ATOM 588 OD2 ASP A 75 -6.873 -5.761 4.247 1.00 0.00 O ATOM 0 H ASP A 75 -5.121 -5.153 9.093 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.978 -4.034 6.698 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.426 -6.718 6.494 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.909 -6.235 7.293 1.00 0.00 H new ATOM 589 N LYS A 76 -8.034 -4.870 9.301 1.00 0.00 N ATOM 590 CA LYS A 76 -9.065 -4.301 10.163 1.00 0.00 C ATOM 591 C LYS A 76 -8.780 -4.610 11.617 1.00 0.00 C ATOM 592 O LYS A 76 -8.439 -5.737 11.993 1.00 0.00 O ATOM 593 CB LYS A 76 -10.461 -4.835 9.744 1.00 0.00 C ATOM 594 CG LYS A 76 -10.428 -6.241 9.096 1.00 0.00 C ATOM 595 CD LYS A 76 -11.671 -6.600 8.275 1.00 0.00 C ATOM 596 CE LYS A 76 -11.961 -8.099 8.423 1.00 0.00 C ATOM 597 NZ LYS A 76 -12.709 -8.571 7.243 1.00 0.00 N ATOM 0 H LYS A 76 -7.928 -5.881 9.387 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.060 -3.217 10.047 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.106 -4.866 10.622 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.912 -4.133 9.042 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.552 -6.308 8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.302 -6.985 9.882 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.527 -6.017 8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.513 -6.350 7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.028 -8.653 8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.537 -8.282 9.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.907 -9.587 7.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.606 -8.049 7.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.143 -8.410 6.386 1.00 0.00 H new ATOM 598 N ALA A 77 -8.895 -3.468 12.549 1.00 0.00 N ATOM 599 CA ALA A 77 -8.662 -3.533 13.985 1.00 0.00 C ATOM 600 C ALA A 77 -8.591 -4.926 14.558 1.00 0.00 C ATOM 601 O ALA A 77 -9.554 -5.445 15.139 1.00 0.00 O ATOM 602 CB ALA A 77 -9.759 -2.678 14.663 1.00 0.00 C ATOM 0 H ALA A 77 -9.153 -2.533 12.233 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.667 -3.138 14.188 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.621 -2.700 15.744 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.690 -1.650 14.309 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.740 -3.082 14.415 1.00 0.00 H new ATOM 603 N ASN A 78 -7.294 -5.624 14.422 1.00 0.00 N ATOM 604 CA ASN A 78 -6.997 -6.897 15.069 1.00 0.00 C ATOM 605 C ASN A 78 -8.165 -7.850 15.062 1.00 0.00 C ATOM 606 O ASN A 78 -8.963 -7.919 16.007 1.00 0.00 O ATOM 607 CB ASN A 78 -6.516 -6.633 16.529 1.00 0.00 C ATOM 608 CG ASN A 78 -5.928 -7.825 17.290 1.00 0.00 C ATOM 609 OD1 ASN A 78 -5.571 -8.850 16.727 1.00 0.00 O ATOM 610 ND2 ASN A 78 -5.818 -7.749 18.589 1.00 0.00 N ATOM 0 H ASN A 78 -6.521 -5.259 13.865 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.207 -7.380 14.494 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.765 -5.844 16.501 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.361 -6.249 17.101 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.440 -8.536 19.116 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -6.110 -6.902 19.077 1.00 0.00 H new ATOM 611 N PRO A 79 -8.286 -8.722 13.874 1.00 0.00 N ATOM 612 CA PRO A 79 -9.364 -9.785 13.636 1.00 0.00 C ATOM 613 C PRO A 79 -9.288 -10.965 14.586 1.00 0.00 C ATOM 614 O PRO A 79 -8.516 -10.949 15.561 1.00 0.00 O ATOM 615 CB PRO A 79 -9.176 -10.285 12.212 1.00 0.00 C ATOM 616 CG PRO A 79 -7.666 -10.081 12.005 1.00 0.00 C ATOM 617 CD PRO A 79 -7.389 -8.739 12.694 1.00 0.00 C ATOM 0 HA PRO A 79 -10.338 -9.326 13.808 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -9.466 -11.330 12.104 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -9.768 -9.714 11.497 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -7.087 -10.889 12.452 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.406 -10.050 10.947 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.344 -8.656 12.992 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -7.598 -7.902 12.027 1.00 0.00 H new ATOM 618 N ARG A 80 -10.131 -12.140 14.286 1.00 0.00 N ATOM 619 CA ARG A 80 -10.211 -13.283 15.202 1.00 0.00 C ATOM 620 C ARG A 80 -10.512 -14.558 14.448 1.00 0.00 C ATOM 621 O ARG A 80 -10.790 -14.552 13.241 1.00 0.00 O ATOM 622 CB ARG A 80 -11.275 -12.998 16.293 1.00 0.00 C ATOM 623 CG ARG A 80 -11.450 -11.506 16.680 1.00 0.00 C ATOM 624 CD ARG A 80 -12.299 -10.728 15.667 1.00 0.00 C ATOM 625 NE ARG A 80 -13.485 -11.550 15.319 1.00 0.00 N ATOM 626 CZ ARG A 80 -14.538 -11.753 16.100 1.00 0.00 C ATOM 627 NH1 ARG A 80 -14.672 -11.257 17.294 1.00 0.00 N ATOM 628 NH2 ARG A 80 -15.485 -12.491 15.640 1.00 0.00 N ATOM 0 H ARG A 80 -10.699 -12.234 13.444 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.246 -13.422 15.689 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.235 -13.381 15.948 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.011 -13.559 17.189 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -11.916 -11.442 17.663 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -10.469 -11.038 16.761 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.611 -9.772 16.088 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -11.715 -10.507 14.773 1.00 0.00 H new ATOM 0 HE ARG A 80 -13.491 -11.996 14.402 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.938 -10.668 17.687 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.512 -11.456 17.838 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.409 -12.895 14.707 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.312 -12.672 16.208 1.00 0.00 H new ATOM 629 N GLN A 81 -10.418 -15.812 15.226 1.00 0.00 N ATOM 630 CA GLN A 81 -10.513 -17.129 14.603 1.00 0.00 C ATOM 631 C GLN A 81 -10.167 -18.218 15.593 1.00 0.00 C ATOM 632 O GLN A 81 -9.448 -17.997 16.578 1.00 0.00 O ATOM 633 CB GLN A 81 -9.566 -17.170 13.385 1.00 0.00 C ATOM 634 CG GLN A 81 -10.243 -17.123 11.975 1.00 0.00 C ATOM 635 CD GLN A 81 -9.565 -16.336 10.846 1.00 0.00 C ATOM 636 OE1 GLN A 81 -10.223 -15.764 9.992 1.00 0.00 O ATOM 637 NE2 GLN A 81 -8.260 -16.265 10.792 1.00 0.00 N ATOM 0 H GLN A 81 -10.282 -15.839 16.237 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.537 -17.304 14.273 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.876 -16.330 13.461 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.969 -18.080 13.447 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.361 -18.151 11.633 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.245 -16.713 12.105 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.694 -16.737 11.497 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.808 -15.738 10.045 1.00 0.00 H new ATOM 638 N HIS A 82 -10.741 -19.555 15.329 1.00 0.00 N ATOM 639 CA HIS A 82 -10.449 -20.703 16.183 1.00 0.00 C ATOM 640 C HIS A 82 -10.627 -21.999 15.427 1.00 0.00 C ATOM 641 O HIS A 82 -10.589 -22.043 14.190 1.00 0.00 O ATOM 642 CB HIS A 82 -11.437 -20.630 17.360 1.00 0.00 C ATOM 643 CG HIS A 82 -12.804 -21.125 16.988 1.00 0.00 C ATOM 644 ND1 HIS A 82 -13.325 -21.189 15.698 1.00 0.00 N ATOM 645 CD2 HIS A 82 -13.715 -21.587 17.927 1.00 0.00 C ATOM 646 CE1 HIS A 82 -14.542 -21.697 15.966 1.00 0.00 C ATOM 647 NE2 HIS A 82 -14.855 -21.962 17.264 1.00 0.00 N ATOM 0 H HIS A 82 -11.366 -19.760 14.549 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.415 -20.677 16.528 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.053 -21.221 18.191 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -11.508 -19.600 17.708 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -13.554 -21.642 18.994 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -15.250 -21.889 15.174 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -15.720 -22.344 17.647 1.00 0.00 H new ATOM 648 N ARG A 83 -10.811 -23.216 16.248 1.00 0.00 N ATOM 649 CA ARG A 83 -11.055 -24.524 15.649 1.00 0.00 C ATOM 650 C ARG A 83 -12.319 -24.512 14.821 1.00 0.00 C ATOM 651 O ARG A 83 -13.439 -24.434 15.343 1.00 0.00 O ATOM 652 CB ARG A 83 -11.127 -25.590 16.777 1.00 0.00 C ATOM 653 CG ARG A 83 -10.416 -26.931 16.455 1.00 0.00 C ATOM 654 CD ARG A 83 -11.328 -27.917 15.715 1.00 0.00 C ATOM 655 NE ARG A 83 -10.476 -28.947 15.068 1.00 0.00 N ATOM 656 CZ ARG A 83 -10.902 -29.886 14.234 1.00 0.00 C ATOM 657 NH1 ARG A 83 -12.140 -30.033 13.865 1.00 0.00 N ATOM 658 NH2 ARG A 83 -10.028 -30.704 13.764 1.00 0.00 N ATOM 0 H ARG A 83 -10.780 -23.222 17.268 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.236 -24.774 14.975 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.687 -25.171 17.682 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.175 -25.795 16.997 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.532 -26.733 15.848 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.070 -27.387 17.383 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.026 -28.384 16.410 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.925 -27.394 14.968 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.479 -28.931 15.283 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.857 -29.401 14.222 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.394 -30.780 13.219 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.049 -30.616 14.036 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.314 -31.441 13.119 1.00 0.00 H new ATOM 659 N LEU A 84 -12.145 -24.637 13.358 1.00 0.00 N ATOM 660 CA LEU A 84 -13.283 -24.694 12.445 1.00 0.00 C ATOM 661 C LEU A 84 -13.872 -23.319 12.229 1.00 0.00 C ATOM 662 O LEU A 84 -13.515 -22.344 12.904 1.00 0.00 O ATOM 663 CB LEU A 84 -14.360 -25.683 12.975 1.00 0.00 C ATOM 664 CG LEU A 84 -14.773 -26.870 12.064 1.00 0.00 C ATOM 665 CD1 LEU A 84 -13.629 -27.890 11.975 1.00 0.00 C ATOM 666 CD2 LEU A 84 -16.055 -27.570 12.545 1.00 0.00 C ATOM 0 H LEU A 84 -11.236 -24.691 12.898 1.00 0.00 H new ATOM 0 HA LEU A 84 -12.929 -25.060 11.481 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.999 -26.095 13.917 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -15.258 -25.108 13.202 1.00 0.00 H new ATOM 0 HG LEU A 84 -14.981 -26.454 11.078 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.929 -28.719 11.334 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.745 -27.409 11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -13.400 -28.267 12.972 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -16.296 -28.392 11.870 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.901 -27.960 13.551 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.878 -26.855 12.555 1.00 0.00 H new ATOM 667 N ASP A 85 -14.884 -23.201 11.158 1.00 0.00 N ATOM 668 CA ASP A 85 -15.634 -21.969 10.934 1.00 0.00 C ATOM 669 C ASP A 85 -14.832 -20.989 10.111 1.00 0.00 C ATOM 670 O ASP A 85 -13.967 -20.264 10.620 1.00 0.00 O ATOM 671 CB ASP A 85 -16.080 -21.358 12.288 1.00 0.00 C ATOM 672 CG ASP A 85 -17.306 -20.433 12.257 1.00 0.00 C ATOM 673 OD1 ASP A 85 -18.481 -21.116 12.115 1.00 0.00 O ATOM 674 OD2 ASP A 85 -17.225 -19.217 12.341 1.00 0.00 O ATOM 0 H ASP A 85 -15.121 -23.958 10.517 1.00 0.00 H new ATOM 0 HA ASP A 85 -16.532 -22.205 10.363 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.288 -22.176 12.978 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.241 -20.798 12.701 1.00 0.00 H new ATOM 675 N LYS A 86 -15.134 -20.948 8.663 1.00 0.00 N ATOM 676 CA LYS A 86 -14.529 -19.960 7.775 1.00 0.00 C ATOM 677 C LYS A 86 -15.564 -19.357 6.854 1.00 0.00 C ATOM 678 O LYS A 86 -15.337 -19.174 5.650 1.00 0.00 O ATOM 679 CB LYS A 86 -13.384 -20.626 6.963 1.00 0.00 C ATOM 680 CG LYS A 86 -12.400 -19.607 6.336 1.00 0.00 C ATOM 681 CD LYS A 86 -11.421 -18.966 7.324 1.00 0.00 C ATOM 682 CE LYS A 86 -11.882 -17.536 7.638 1.00 0.00 C ATOM 683 NZ LYS A 86 -11.220 -16.595 6.717 1.00 0.00 N ATOM 0 H LYS A 86 -15.772 -21.594 8.198 1.00 0.00 H new ATOM 0 HA LYS A 86 -14.114 -19.151 8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.830 -21.300 7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.818 -21.236 6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.829 -20.109 5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.976 -18.817 5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.373 -19.555 8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.416 -18.952 6.901 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.965 -17.461 7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.640 -17.283 8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.531 -15.625 6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.189 -16.661 6.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.472 -16.833 5.737 1.00 0.00 H new ATOM 684 N ILE A 87 -16.860 -18.997 7.469 1.00 0.00 N ATOM 685 CA ILE A 87 -17.922 -18.343 6.711 1.00 0.00 C ATOM 686 C ILE A 87 -17.924 -16.853 6.959 1.00 0.00 C ATOM 687 O ILE A 87 -17.607 -16.374 8.057 1.00 0.00 O ATOM 688 CB ILE A 87 -19.333 -18.993 7.016 1.00 0.00 C ATOM 689 CG1 ILE A 87 -20.336 -18.964 5.818 1.00 0.00 C ATOM 690 CG2 ILE A 87 -20.038 -18.355 8.253 1.00 0.00 C ATOM 691 CD1 ILE A 87 -21.805 -19.282 6.163 1.00 0.00 C ATOM 0 H ILE A 87 -17.094 -19.178 8.445 1.00 0.00 H new ATOM 0 HA ILE A 87 -17.722 -18.498 5.651 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.082 -20.033 7.223 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -20.296 -17.976 5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -19.996 -19.678 5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -21.001 -18.840 8.414 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -19.413 -18.487 9.136 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -20.194 -17.291 8.074 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -22.410 -19.233 5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -21.870 -20.283 6.589 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -22.175 -18.555 6.886 1.00 0.00 H new ATOM 692 N THR A 88 -18.334 -16.000 5.823 1.00 0.00 N ATOM 693 CA THR A 88 -18.408 -14.546 5.933 1.00 0.00 C ATOM 694 C THR A 88 -19.771 -14.041 5.523 1.00 0.00 C ATOM 695 O THR A 88 -19.951 -13.447 4.451 1.00 0.00 O ATOM 696 CB THR A 88 -17.287 -13.871 5.074 1.00 0.00 C ATOM 697 OG1 THR A 88 -16.113 -14.674 5.067 1.00 0.00 O ATOM 698 CG2 THR A 88 -16.803 -12.483 5.547 1.00 0.00 C ATOM 0 H THR A 88 -18.588 -16.363 4.904 1.00 0.00 H new ATOM 0 HA THR A 88 -18.250 -14.277 6.977 1.00 0.00 H new ATOM 0 HB THR A 88 -17.770 -13.760 4.103 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.422 -14.239 4.524 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.027 -12.119 4.873 1.00 0.00 H new ATOM 0 HG22 THR A 88 -17.641 -11.786 5.546 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.399 -12.563 6.556 1.00 0.00 H new ATOM 699 N HIS A 89 -20.880 -14.308 6.465 1.00 0.00 N ATOM 700 CA HIS A 89 -22.266 -13.980 6.144 1.00 0.00 C ATOM 701 C HIS A 89 -22.947 -13.307 7.312 1.00 0.00 C ATOM 702 O HIS A 89 -23.354 -13.951 8.289 1.00 0.00 O ATOM 703 CB HIS A 89 -22.961 -15.311 5.812 1.00 0.00 C ATOM 704 CG HIS A 89 -23.992 -15.162 4.731 1.00 0.00 C ATOM 705 ND1 HIS A 89 -23.754 -14.711 3.435 1.00 0.00 N ATOM 706 CD2 HIS A 89 -25.332 -15.468 4.925 1.00 0.00 C ATOM 707 CE1 HIS A 89 -25.002 -14.787 2.934 1.00 0.00 C ATOM 708 NE2 HIS A 89 -25.997 -15.224 3.752 1.00 0.00 N ATOM 0 H HIS A 89 -20.753 -14.731 7.384 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.316 -13.285 5.306 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -22.214 -16.040 5.500 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.435 -15.705 6.711 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -25.773 -15.834 5.840 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -25.207 -14.509 1.911 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -26.989 -15.341 3.544 1.00 0.00 H new ATOM 709 N ALA A 90 -23.129 -11.843 7.210 1.00 0.00 N ATOM 710 CA ALA A 90 -23.663 -11.050 8.314 1.00 0.00 C ATOM 711 C ALA A 90 -23.996 -9.648 7.861 1.00 0.00 C ATOM 712 O ALA A 90 -25.002 -9.052 8.268 1.00 0.00 O ATOM 713 CB ALA A 90 -22.628 -11.079 9.452 1.00 0.00 C ATOM 0 H ALA A 90 -22.898 -11.300 6.378 1.00 0.00 H new ATOM 0 HA ALA A 90 -24.601 -11.470 8.677 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -22.997 -10.494 10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -22.465 -12.109 9.769 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -21.688 -10.654 9.100 1.00 0.00 H new ATOM 714 N CYS A 91 -23.042 -9.020 6.919 1.00 0.00 N ATOM 715 CA CYS A 91 -23.296 -7.710 6.325 1.00 0.00 C ATOM 716 C CYS A 91 -23.264 -6.626 7.377 1.00 0.00 C ATOM 717 O CYS A 91 -22.211 -6.057 7.695 1.00 0.00 O ATOM 718 CB CYS A 91 -24.643 -7.764 5.578 1.00 0.00 C ATOM 719 SG CYS A 91 -24.397 -8.220 3.847 1.00 0.00 S ATOM 0 H CYS A 91 -22.164 -9.450 6.628 1.00 0.00 H new ATOM 0 HA CYS A 91 -22.511 -7.462 5.610 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -25.302 -8.486 6.059 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -25.136 -6.794 5.637 1.00 0.00 H new ATOM 0 HG CYS A 91 -25.547 -8.261 3.241 1.00 0.00 H new ATOM 720 N ARG A 92 -24.554 -6.306 8.027 1.00 0.00 N ATOM 721 CA ARG A 92 -24.659 -5.310 9.090 1.00 0.00 C ATOM 722 C ARG A 92 -26.085 -5.177 9.568 1.00 0.00 C ATOM 723 O ARG A 92 -26.385 -5.274 10.756 1.00 0.00 O ATOM 724 CB ARG A 92 -24.108 -3.955 8.566 1.00 0.00 C ATOM 725 CG ARG A 92 -24.419 -2.731 9.468 1.00 0.00 C ATOM 726 CD ARG A 92 -23.270 -2.401 10.428 1.00 0.00 C ATOM 727 NE ARG A 92 -22.757 -3.673 10.998 1.00 0.00 N ATOM 728 CZ ARG A 92 -23.299 -4.337 12.010 1.00 0.00 C ATOM 729 NH1 ARG A 92 -24.367 -3.958 12.647 1.00 0.00 N ATOM 730 NH2 ARG A 92 -22.725 -5.427 12.380 1.00 0.00 N ATOM 731 OXT ARG A 92 -27.066 -4.942 8.555 1.00 0.00 O ATOM 0 H ARG A 92 -25.438 -6.751 7.781 1.00 0.00 H new ATOM 0 HA ARG A 92 -24.066 -5.629 9.947 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -23.027 -4.039 8.452 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -24.520 -3.771 7.574 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -24.624 -1.864 8.840 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -25.323 -2.928 10.043 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -22.475 -1.873 9.901 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -23.618 -1.742 11.223 1.00 0.00 H new ATOM 0 HE ARG A 92 -21.917 -4.069 10.576 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -24.844 -3.098 12.376 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -24.728 -4.521 13.418 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -21.885 -5.750 11.899 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -23.109 -5.968 13.154 1.00 0.00 H new TER 732 ARG A 92 HETATM 733 ZN ZN A 93 1.847 -1.959 4.140 1.00 0.00 ZN