USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 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 55 GLN : amide:sc= 0.932 K(o=2,f=-5.8!) USER MOD Set 1.2: A 56 SER OG : rot -50:sc= 1.08 USER MOD Single : A 1 ALA N :NH3+ 168:sc= -0.0302 (180deg=-0.17) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 1.22 (180deg=0.962) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -3.46! C(o=-3.5!,f=-4.2!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -11.6! C(o=-12!,f=-15!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -55:sc= -0.82 USER MOD Single : A 75 SER OG : rot -68:sc= 1.18 USER MOD Single : A 92 SER OG : rot 170:sc= -2.99! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.155 11.217 -11.367 1.00 0.00 N ATOM 2 CA ALA A 1 -1.306 10.957 -9.912 1.00 0.00 C ATOM 3 C ALA A 1 -2.258 11.961 -9.267 1.00 0.00 C ATOM 4 O ALA A 1 -2.119 12.294 -8.090 1.00 0.00 O ATOM 5 CB ALA A 1 0.051 11.004 -9.227 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.359 10.660 -11.738 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.029 10.944 -11.861 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.971 12.229 -11.522 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.733 9.962 -9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.073 10.812 -8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.703 10.245 -9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.496 11.989 -9.369 1.00 0.00 H new ATOM 13 N VAL A 2 -3.225 12.443 -10.043 1.00 0.00 N ATOM 14 CA VAL A 2 -4.196 13.408 -9.540 1.00 0.00 C ATOM 15 C VAL A 2 -5.025 12.816 -8.403 1.00 0.00 C ATOM 16 O VAL A 2 -5.151 11.598 -8.283 1.00 0.00 O ATOM 17 CB VAL A 2 -5.142 13.895 -10.655 1.00 0.00 C ATOM 18 CG1 VAL A 2 -4.361 14.617 -11.743 1.00 0.00 C ATOM 19 CG2 VAL A 2 -5.932 12.731 -11.237 1.00 0.00 C ATOM 0 H VAL A 2 -3.356 12.181 -11.020 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.627 14.258 -9.165 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.850 14.600 -10.220 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.047 14.953 -12.521 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.850 15.478 -11.313 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.627 13.938 -12.175 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.594 13.097 -12.022 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.243 11.997 -11.655 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.526 12.265 -10.451 1.00 0.00 H new ATOM 29 N LEU A 3 -5.567 13.688 -7.560 1.00 0.00 N ATOM 30 CA LEU A 3 -6.352 13.283 -6.421 1.00 0.00 C ATOM 31 C LEU A 3 -7.695 12.715 -6.797 1.00 0.00 C ATOM 32 O LEU A 3 -8.138 12.792 -7.943 1.00 0.00 O ATOM 33 CB LEU A 3 -6.606 14.492 -5.519 1.00 0.00 C ATOM 34 CG LEU A 3 -5.683 14.612 -4.307 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.135 13.252 -3.948 1.00 0.00 C ATOM 36 CD2 LEU A 3 -4.551 15.592 -4.586 1.00 0.00 C ATOM 0 H LEU A 3 -5.468 14.699 -7.656 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.777 12.506 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.510 15.397 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.637 14.451 -5.167 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.257 14.996 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.477 13.341 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.959 12.579 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.573 12.852 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.906 15.662 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.969 15.242 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.967 16.574 -4.810 1.00 0.00 H new ATOM 48 N ASP A 4 -8.348 12.172 -5.783 1.00 0.00 N ATOM 49 CA ASP A 4 -9.653 11.616 -5.933 1.00 0.00 C ATOM 50 C ASP A 4 -10.670 12.757 -5.917 1.00 0.00 C ATOM 51 O ASP A 4 -10.423 13.815 -6.497 1.00 0.00 O ATOM 52 CB ASP A 4 -9.919 10.604 -4.813 1.00 0.00 C ATOM 53 CG ASP A 4 -10.957 9.567 -5.197 1.00 0.00 C ATOM 54 OD1 ASP A 4 -11.784 9.856 -6.086 1.00 0.00 O ATOM 55 OD2 ASP A 4 -10.945 8.467 -4.604 1.00 0.00 O ATOM 0 H ASP A 4 -7.974 12.112 -4.836 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.738 11.083 -6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.987 10.101 -4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.253 11.134 -3.921 1.00 0.00 H new ATOM 60 N LEU A 5 -11.798 12.558 -5.256 1.00 0.00 N ATOM 61 CA LEU A 5 -12.815 13.567 -5.170 1.00 0.00 C ATOM 62 C LEU A 5 -12.619 14.430 -3.922 1.00 0.00 C ATOM 63 O LEU A 5 -11.571 15.052 -3.761 1.00 0.00 O ATOM 64 CB LEU A 5 -14.184 12.883 -5.219 1.00 0.00 C ATOM 65 CG LEU A 5 -14.331 11.597 -4.384 1.00 0.00 C ATOM 66 CD1 LEU A 5 -15.083 11.861 -3.096 1.00 0.00 C ATOM 67 CD2 LEU A 5 -15.036 10.510 -5.189 1.00 0.00 C ATOM 0 H LEU A 5 -12.025 11.691 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.748 14.251 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.936 13.597 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.411 12.645 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.329 11.253 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.170 10.934 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -14.542 12.599 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.079 12.240 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.130 9.610 -4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.028 10.857 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.455 10.285 -6.083 1.00 0.00 H new ATOM 79 N ASP A 6 -13.605 14.454 -3.030 1.00 0.00 N ATOM 80 CA ASP A 6 -13.487 15.219 -1.811 1.00 0.00 C ATOM 81 C ASP A 6 -12.530 14.492 -0.895 1.00 0.00 C ATOM 82 O ASP A 6 -11.587 15.072 -0.355 1.00 0.00 O ATOM 83 CB ASP A 6 -14.851 15.391 -1.138 1.00 0.00 C ATOM 84 CG ASP A 6 -15.122 16.829 -0.741 1.00 0.00 C ATOM 85 OD1 ASP A 6 -15.683 17.578 -1.569 1.00 0.00 O ATOM 86 OD2 ASP A 6 -14.774 17.207 0.397 1.00 0.00 O ATOM 0 H ASP A 6 -14.487 13.953 -3.135 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.110 16.217 -2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.633 15.051 -1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -14.899 14.757 -0.252 1.00 0.00 H new ATOM 91 N VAL A 7 -12.757 13.199 -0.781 1.00 0.00 N ATOM 92 CA VAL A 7 -11.906 12.341 0.002 1.00 0.00 C ATOM 93 C VAL A 7 -10.775 11.828 -0.881 1.00 0.00 C ATOM 94 O VAL A 7 -10.862 10.748 -1.463 1.00 0.00 O ATOM 95 CB VAL A 7 -12.683 11.147 0.587 1.00 0.00 C ATOM 96 CG1 VAL A 7 -13.628 11.611 1.686 1.00 0.00 C ATOM 97 CG2 VAL A 7 -13.446 10.418 -0.511 1.00 0.00 C ATOM 0 H VAL A 7 -13.537 12.719 -1.230 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.510 12.920 0.836 1.00 0.00 H new ATOM 0 HB VAL A 7 -11.968 10.451 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.168 10.754 2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -13.055 12.084 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -14.339 12.328 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.989 9.577 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.151 11.104 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.744 10.051 -1.260 1.00 0.00 H new ATOM 107 N ARG A 8 -9.736 12.638 -1.001 1.00 0.00 N ATOM 108 CA ARG A 8 -8.603 12.339 -1.822 1.00 0.00 C ATOM 109 C ARG A 8 -7.606 11.421 -1.128 1.00 0.00 C ATOM 110 O ARG A 8 -7.609 11.291 0.096 1.00 0.00 O ATOM 111 CB ARG A 8 -7.966 13.661 -2.198 1.00 0.00 C ATOM 112 CG ARG A 8 -8.880 14.521 -3.046 1.00 0.00 C ATOM 113 CD ARG A 8 -8.466 15.980 -3.016 1.00 0.00 C ATOM 114 NE ARG A 8 -9.164 16.766 -4.031 1.00 0.00 N ATOM 115 CZ ARG A 8 -8.731 17.938 -4.492 1.00 0.00 C ATOM 116 NH1 ARG A 8 -7.628 18.487 -3.999 1.00 0.00 N ATOM 117 NH2 ARG A 8 -9.406 18.564 -5.446 1.00 0.00 N ATOM 0 H ARG A 8 -9.667 13.533 -0.517 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.925 11.795 -2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.699 14.204 -1.291 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.040 13.474 -2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.868 14.160 -4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.905 14.426 -2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.672 16.396 -2.030 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.390 16.055 -3.175 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.035 16.395 -4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.107 18.011 -3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.302 19.385 -4.356 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.256 18.148 -5.826 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.075 19.462 -5.800 1.00 0.00 H new ATOM 131 N THR A 9 -6.751 10.789 -1.928 1.00 0.00 N ATOM 132 CA THR A 9 -5.742 9.878 -1.412 1.00 0.00 C ATOM 133 C THR A 9 -6.400 8.710 -0.685 1.00 0.00 C ATOM 134 O THR A 9 -7.259 8.908 0.173 1.00 0.00 O ATOM 135 CB THR A 9 -4.789 10.625 -0.493 1.00 0.00 C ATOM 136 OG1 THR A 9 -3.900 11.434 -1.242 1.00 0.00 O ATOM 137 CG2 THR A 9 -3.952 9.729 0.399 1.00 0.00 C ATOM 0 H THR A 9 -6.740 10.895 -2.942 1.00 0.00 H new ATOM 0 HA THR A 9 -5.169 9.474 -2.247 1.00 0.00 H new ATOM 0 HB THR A 9 -5.437 11.224 0.146 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.296 11.908 -0.632 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.300 10.342 1.022 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.608 9.134 1.035 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.346 9.066 -0.218 1.00 0.00 H new ATOM 145 N CYS A 10 -5.998 7.493 -1.037 1.00 0.00 N ATOM 146 CA CYS A 10 -6.558 6.294 -0.417 1.00 0.00 C ATOM 147 C CYS A 10 -6.426 6.353 1.107 1.00 0.00 C ATOM 148 O CYS A 10 -6.253 7.425 1.680 1.00 0.00 O ATOM 149 CB CYS A 10 -5.857 5.046 -0.956 1.00 0.00 C ATOM 150 SG CYS A 10 -6.988 3.751 -1.558 1.00 0.00 S ATOM 0 H CYS A 10 -5.288 7.310 -1.746 1.00 0.00 H new ATOM 0 HA CYS A 10 -7.618 6.245 -0.667 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.193 5.339 -1.770 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.230 4.627 -0.169 1.00 0.00 H new ATOM 155 N LEU A 11 -6.509 5.195 1.758 1.00 0.00 N ATOM 156 CA LEU A 11 -6.398 5.122 3.212 1.00 0.00 C ATOM 157 C LEU A 11 -4.943 4.889 3.629 1.00 0.00 C ATOM 158 O LEU A 11 -4.422 3.777 3.509 1.00 0.00 O ATOM 159 CB LEU A 11 -7.286 3.998 3.743 1.00 0.00 C ATOM 160 CG LEU A 11 -7.798 4.195 5.169 1.00 0.00 C ATOM 161 CD1 LEU A 11 -8.919 5.222 5.197 1.00 0.00 C ATOM 162 CD2 LEU A 11 -8.268 2.870 5.746 1.00 0.00 C ATOM 0 H LEU A 11 -6.653 4.294 1.301 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.729 6.069 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.143 3.888 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.727 3.063 3.700 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.980 4.569 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.271 5.349 6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.549 6.175 4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.742 4.879 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.630 3.024 6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.074 2.470 5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.438 2.164 5.760 1.00 0.00 H new ATOM 174 N PRO A 12 -4.250 5.942 4.107 1.00 0.00 N ATOM 175 CA PRO A 12 -2.849 5.833 4.506 1.00 0.00 C ATOM 176 C PRO A 12 -2.593 4.813 5.607 1.00 0.00 C ATOM 177 O PRO A 12 -3.517 4.257 6.206 1.00 0.00 O ATOM 178 CB PRO A 12 -2.477 7.229 5.010 1.00 0.00 C ATOM 179 CG PRO A 12 -3.541 8.148 4.529 1.00 0.00 C ATOM 180 CD PRO A 12 -4.770 7.313 4.274 1.00 0.00 C ATOM 0 HA PRO A 12 -2.254 5.489 3.660 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.414 7.245 6.098 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.502 7.532 4.629 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.747 8.919 5.271 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.226 8.658 3.618 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.472 7.374 5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.301 7.648 3.383 1.00 0.00 H new ATOM 188 N CYS A 13 -1.308 4.611 5.871 1.00 0.00 N ATOM 189 CA CYS A 13 -0.841 3.695 6.880 1.00 0.00 C ATOM 190 C CYS A 13 0.524 4.143 7.378 1.00 0.00 C ATOM 191 O CYS A 13 1.017 5.199 6.980 1.00 0.00 O ATOM 192 CB CYS A 13 -0.754 2.283 6.316 1.00 0.00 C ATOM 193 SG CYS A 13 -0.913 0.960 7.550 1.00 0.00 S ATOM 0 H CYS A 13 -0.556 5.092 5.377 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.546 3.691 7.711 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.535 2.157 5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.201 2.170 5.803 1.00 0.00 H new ATOM 198 N GLY A 14 1.145 3.341 8.226 1.00 0.00 N ATOM 199 CA GLY A 14 2.450 3.690 8.723 1.00 0.00 C ATOM 200 C GLY A 14 2.444 4.935 9.580 1.00 0.00 C ATOM 201 O GLY A 14 1.464 5.229 10.266 1.00 0.00 O ATOM 0 H GLY A 14 0.769 2.460 8.576 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.845 2.857 9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.125 3.839 7.880 1.00 0.00 H new ATOM 205 N PRO A 15 3.555 5.675 9.565 1.00 0.00 N ATOM 206 CA PRO A 15 3.727 6.898 10.346 1.00 0.00 C ATOM 207 C PRO A 15 3.112 8.120 9.665 1.00 0.00 C ATOM 208 O PRO A 15 3.783 8.836 8.923 1.00 0.00 O ATOM 209 CB PRO A 15 5.248 7.001 10.405 1.00 0.00 C ATOM 210 CG PRO A 15 5.679 6.506 9.077 1.00 0.00 C ATOM 211 CD PRO A 15 4.763 5.353 8.785 1.00 0.00 C ATOM 0 HA PRO A 15 3.235 6.867 11.318 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.575 8.027 10.577 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.660 6.396 11.212 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.592 7.283 8.317 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.722 6.189 9.092 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.545 5.272 7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.200 4.403 9.094 1.00 0.00 H new ATOM 219 N GLY A 16 1.826 8.344 9.926 1.00 0.00 N ATOM 220 CA GLY A 16 1.121 9.471 9.336 1.00 0.00 C ATOM 221 C GLY A 16 0.278 9.055 8.145 1.00 0.00 C ATOM 222 O GLY A 16 -0.951 9.080 8.201 1.00 0.00 O ATOM 0 H GLY A 16 1.256 7.761 10.539 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.482 9.933 10.089 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.842 10.226 9.023 1.00 0.00 H new ATOM 226 N GLY A 17 0.949 8.649 7.077 1.00 0.00 N ATOM 227 CA GLY A 17 0.276 8.202 5.883 1.00 0.00 C ATOM 228 C GLY A 17 1.246 7.843 4.792 1.00 0.00 C ATOM 229 O GLY A 17 0.983 8.036 3.604 1.00 0.00 O ATOM 0 H GLY A 17 1.967 8.623 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.343 7.336 6.118 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.394 8.986 5.529 1.00 0.00 H new ATOM 233 N LYS A 18 2.372 7.318 5.217 1.00 0.00 N ATOM 234 CA LYS A 18 3.422 6.910 4.327 1.00 0.00 C ATOM 235 C LYS A 18 3.007 5.658 3.582 1.00 0.00 C ATOM 236 O LYS A 18 3.297 5.483 2.398 1.00 0.00 O ATOM 237 CB LYS A 18 4.678 6.663 5.149 1.00 0.00 C ATOM 238 CG LYS A 18 5.640 7.825 5.172 1.00 0.00 C ATOM 239 CD LYS A 18 4.900 9.136 5.119 1.00 0.00 C ATOM 240 CE LYS A 18 5.844 10.321 5.222 1.00 0.00 C ATOM 241 NZ LYS A 18 6.262 10.818 3.882 1.00 0.00 N ATOM 0 H LYS A 18 2.582 7.163 6.203 1.00 0.00 H new ATOM 0 HA LYS A 18 3.620 7.688 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.388 6.425 6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.192 5.788 4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.247 7.782 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.323 7.754 4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.338 9.199 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.175 9.177 5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.357 11.126 5.772 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.726 10.033 5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.719 11.747 3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.932 10.147 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.427 10.909 3.269 1.00 0.00 H new ATOM 255 N GLY A 19 2.300 4.810 4.298 1.00 0.00 N ATOM 256 CA GLY A 19 1.795 3.589 3.741 1.00 0.00 C ATOM 257 C GLY A 19 0.283 3.614 3.626 1.00 0.00 C ATOM 258 O GLY A 19 -0.339 4.663 3.777 1.00 0.00 O ATOM 0 H GLY A 19 2.064 4.954 5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.233 3.429 2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.100 2.749 4.366 1.00 0.00 H new ATOM 262 N ARG A 20 -0.307 2.460 3.360 1.00 0.00 N ATOM 263 CA ARG A 20 -1.738 2.339 3.221 1.00 0.00 C ATOM 264 C ARG A 20 -2.133 0.860 3.278 1.00 0.00 C ATOM 265 O ARG A 20 -1.267 -0.013 3.402 1.00 0.00 O ATOM 266 CB ARG A 20 -2.180 3.011 1.928 1.00 0.00 C ATOM 267 CG ARG A 20 -1.821 2.246 0.687 1.00 0.00 C ATOM 268 CD ARG A 20 -3.031 2.138 -0.224 1.00 0.00 C ATOM 269 NE ARG A 20 -3.174 3.311 -1.089 1.00 0.00 N ATOM 270 CZ ARG A 20 -2.718 3.387 -2.337 1.00 0.00 C ATOM 271 NH1 ARG A 20 -1.994 2.406 -2.847 1.00 0.00 N ATOM 272 NH2 ARG A 20 -2.967 4.465 -3.068 1.00 0.00 N ATOM 0 H ARG A 20 0.199 1.583 3.235 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.247 2.844 4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.260 3.152 1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.730 4.002 1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.006 2.746 0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.466 1.250 0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.943 1.243 -0.839 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.931 2.022 0.381 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.656 4.126 -0.709 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.781 1.583 -2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.648 2.472 -3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.508 5.235 -2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.618 4.524 -4.025 1.00 0.00 H new ATOM 286 N CYS A 21 -3.422 0.570 3.175 1.00 0.00 N ATOM 287 CA CYS A 21 -3.891 -0.804 3.200 1.00 0.00 C ATOM 288 C CYS A 21 -3.634 -1.466 1.862 1.00 0.00 C ATOM 289 O CYS A 21 -3.649 -0.794 0.837 1.00 0.00 O ATOM 290 CB CYS A 21 -5.377 -0.822 3.475 1.00 0.00 C ATOM 291 SG CYS A 21 -5.821 -0.574 5.222 1.00 0.00 S ATOM 0 H CYS A 21 -4.159 1.268 3.074 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.357 -1.345 3.982 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.854 -0.045 2.878 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.784 -1.776 3.141 1.00 0.00 H new ATOM 296 N PHE A 22 -3.404 -2.780 1.867 1.00 0.00 N ATOM 297 CA PHE A 22 -3.140 -3.497 0.619 1.00 0.00 C ATOM 298 C PHE A 22 -3.828 -4.855 0.541 1.00 0.00 C ATOM 299 O PHE A 22 -3.377 -5.732 -0.200 1.00 0.00 O ATOM 300 CB PHE A 22 -1.635 -3.668 0.433 1.00 0.00 C ATOM 301 CG PHE A 22 -0.919 -2.388 0.110 1.00 0.00 C ATOM 302 CD1 PHE A 22 -1.575 -1.335 -0.502 1.00 0.00 C ATOM 303 CD2 PHE A 22 0.410 -2.237 0.427 1.00 0.00 C ATOM 304 CE1 PHE A 22 -0.910 -0.164 -0.786 1.00 0.00 C ATOM 305 CE2 PHE A 22 1.075 -1.064 0.144 1.00 0.00 C ATOM 306 CZ PHE A 22 0.416 -0.030 -0.463 1.00 0.00 C ATOM 0 H PHE A 22 -3.395 -3.361 2.705 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.559 -2.891 -0.184 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.211 -4.092 1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.456 -4.386 -0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.619 -1.433 -0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.940 -3.048 0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.433 0.651 -1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.119 -0.961 0.402 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.938 0.888 -0.687 1.00 0.00 H new ATOM 316 N GLY A 23 -4.939 -5.025 1.247 1.00 0.00 N ATOM 317 CA GLY A 23 -5.647 -6.288 1.162 1.00 0.00 C ATOM 318 C GLY A 23 -6.193 -6.798 2.484 1.00 0.00 C ATOM 319 O GLY A 23 -7.210 -6.302 2.967 1.00 0.00 O ATOM 0 H GLY A 23 -5.356 -4.328 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.474 -6.179 0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.974 -7.039 0.748 1.00 0.00 H new ATOM 323 N PRO A 24 -5.566 -7.838 3.068 1.00 0.00 N ATOM 324 CA PRO A 24 -6.021 -8.458 4.300 1.00 0.00 C ATOM 325 C PRO A 24 -5.178 -8.088 5.512 1.00 0.00 C ATOM 326 O PRO A 24 -4.105 -8.653 5.721 1.00 0.00 O ATOM 327 CB PRO A 24 -5.818 -9.924 3.946 1.00 0.00 C ATOM 328 CG PRO A 24 -4.545 -9.939 3.155 1.00 0.00 C ATOM 329 CD PRO A 24 -4.387 -8.556 2.554 1.00 0.00 C ATOM 0 HA PRO A 24 -7.030 -8.162 4.587 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.738 -10.542 4.840 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.653 -10.312 3.363 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.696 -10.182 3.794 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.584 -10.698 2.374 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.457 -8.083 2.868 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.376 -8.588 1.465 1.00 0.00 H new ATOM 337 N SER A 25 -5.661 -7.147 6.319 1.00 0.00 N ATOM 338 CA SER A 25 -4.927 -6.733 7.510 1.00 0.00 C ATOM 339 C SER A 25 -3.504 -6.350 7.147 1.00 0.00 C ATOM 340 O SER A 25 -2.592 -6.477 7.966 1.00 0.00 O ATOM 341 CB SER A 25 -4.881 -7.874 8.526 1.00 0.00 C ATOM 342 OG SER A 25 -5.100 -7.397 9.842 1.00 0.00 O ATOM 0 H SER A 25 -6.546 -6.662 6.173 1.00 0.00 H new ATOM 0 HA SER A 25 -5.440 -5.874 7.942 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.637 -8.618 8.276 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.913 -8.373 8.473 1.00 0.00 H new ATOM 0 HG SER A 25 -5.067 -8.147 10.472 1.00 0.00 H new ATOM 348 N ILE A 26 -3.302 -5.928 5.909 1.00 0.00 N ATOM 349 CA ILE A 26 -1.971 -5.593 5.459 1.00 0.00 C ATOM 350 C ILE A 26 -1.764 -4.108 5.194 1.00 0.00 C ATOM 351 O ILE A 26 -2.705 -3.335 5.002 1.00 0.00 O ATOM 352 CB ILE A 26 -1.595 -6.405 4.209 1.00 0.00 C ATOM 353 CG1 ILE A 26 -0.118 -6.738 4.235 1.00 0.00 C ATOM 354 CG2 ILE A 26 -1.939 -5.655 2.932 1.00 0.00 C ATOM 355 CD1 ILE A 26 0.200 -7.971 3.428 1.00 0.00 C ATOM 0 H ILE A 26 -4.035 -5.812 5.210 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.310 -5.856 6.285 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.176 -7.327 4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.450 -5.894 3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.201 -6.888 5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.659 -6.259 2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.010 -5.456 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.394 -4.711 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.270 -8.171 3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.347 -8.822 3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.094 -7.812 2.390 1.00 0.00 H new ATOM 367 N CYS A 27 -0.494 -3.747 5.193 1.00 0.00 N ATOM 368 CA CYS A 27 -0.045 -2.405 4.975 1.00 0.00 C ATOM 369 C CYS A 27 1.393 -2.452 4.458 1.00 0.00 C ATOM 370 O CYS A 27 2.195 -3.255 4.936 1.00 0.00 O ATOM 371 CB CYS A 27 -0.123 -1.671 6.292 1.00 0.00 C ATOM 372 SG CYS A 27 -1.584 -0.601 6.455 1.00 0.00 S ATOM 0 H CYS A 27 0.268 -4.407 5.350 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.662 -1.889 4.239 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.126 -2.399 7.103 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.775 -1.064 6.412 1.00 0.00 H new ATOM 377 N CYS A 28 1.726 -1.620 3.486 1.00 0.00 N ATOM 378 CA CYS A 28 3.068 -1.628 2.932 1.00 0.00 C ATOM 379 C CYS A 28 3.480 -0.225 2.516 1.00 0.00 C ATOM 380 O CYS A 28 3.004 0.293 1.507 1.00 0.00 O ATOM 381 CB CYS A 28 3.114 -2.584 1.732 1.00 0.00 C ATOM 382 SG CYS A 28 4.637 -3.556 1.547 1.00 0.00 S ATOM 0 H CYS A 28 1.093 -0.938 3.068 1.00 0.00 H new ATOM 0 HA CYS A 28 3.770 -1.972 3.691 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.273 -3.274 1.810 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.965 -2.002 0.823 1.00 0.00 H new ATOM 387 N GLY A 29 4.351 0.403 3.286 1.00 0.00 N ATOM 388 CA GLY A 29 4.778 1.709 2.945 1.00 0.00 C ATOM 389 C GLY A 29 5.902 1.674 1.927 1.00 0.00 C ATOM 390 O GLY A 29 6.882 0.953 2.125 1.00 0.00 O ATOM 0 H GLY A 29 4.761 0.019 4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.938 2.275 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.113 2.230 3.842 1.00 0.00 H new ATOM 394 N ASP A 30 5.785 2.438 0.839 1.00 0.00 N ATOM 395 CA ASP A 30 6.827 2.454 -0.184 1.00 0.00 C ATOM 396 C ASP A 30 8.121 2.890 0.468 1.00 0.00 C ATOM 397 O ASP A 30 9.061 2.106 0.598 1.00 0.00 O ATOM 398 CB ASP A 30 6.454 3.407 -1.323 1.00 0.00 C ATOM 399 CG ASP A 30 7.429 3.330 -2.482 1.00 0.00 C ATOM 400 OD1 ASP A 30 8.536 3.896 -2.365 1.00 0.00 O ATOM 401 OD2 ASP A 30 7.084 2.704 -3.506 1.00 0.00 O ATOM 0 H ASP A 30 4.989 3.046 0.647 1.00 0.00 H new ATOM 0 HA ASP A 30 6.940 1.458 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.451 3.170 -1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.424 4.428 -0.944 1.00 0.00 H new ATOM 406 N GLU A 31 8.129 4.108 0.962 1.00 0.00 N ATOM 407 CA GLU A 31 9.256 4.616 1.700 1.00 0.00 C ATOM 408 C GLU A 31 9.151 4.120 3.141 1.00 0.00 C ATOM 409 O GLU A 31 9.771 4.673 4.049 1.00 0.00 O ATOM 410 CB GLU A 31 9.225 6.138 1.694 1.00 0.00 C ATOM 411 CG GLU A 31 8.037 6.715 2.461 1.00 0.00 C ATOM 412 CD GLU A 31 8.458 7.800 3.432 1.00 0.00 C ATOM 413 OE1 GLU A 31 8.990 7.459 4.509 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.255 8.991 3.115 1.00 0.00 O ATOM 0 H GLU A 31 7.358 4.768 0.863 1.00 0.00 H new ATOM 0 HA GLU A 31 10.185 4.273 1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.150 6.516 2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.191 6.491 0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.313 7.122 1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.535 5.916 3.006 1.00 0.00 H new ATOM 421 N LEU A 32 8.274 3.138 3.348 1.00 0.00 N ATOM 422 CA LEU A 32 7.982 2.639 4.674 1.00 0.00 C ATOM 423 C LEU A 32 7.762 1.117 4.703 1.00 0.00 C ATOM 424 O LEU A 32 6.918 0.624 5.433 1.00 0.00 O ATOM 425 CB LEU A 32 6.751 3.413 5.135 1.00 0.00 C ATOM 426 CG LEU A 32 6.220 3.178 6.542 1.00 0.00 C ATOM 427 CD1 LEU A 32 4.959 2.356 6.446 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.245 2.525 7.467 1.00 0.00 C ATOM 0 H LEU A 32 7.754 2.675 2.602 1.00 0.00 H new ATOM 0 HA LEU A 32 8.826 2.794 5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.975 4.476 5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.943 3.194 4.437 1.00 0.00 H new ATOM 0 HG LEU A 32 6.002 4.146 6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.564 2.178 7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.218 2.894 5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.182 1.402 5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.806 2.384 8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.539 1.558 7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.123 3.166 7.548 1.00 0.00 H new ATOM 440 N GLY A 33 8.556 0.395 3.912 1.00 0.00 N ATOM 441 CA GLY A 33 8.505 -1.074 3.853 1.00 0.00 C ATOM 442 C GLY A 33 7.145 -1.711 4.153 1.00 0.00 C ATOM 443 O GLY A 33 6.108 -1.061 4.060 1.00 0.00 O ATOM 0 H GLY A 33 9.254 0.808 3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.820 -1.389 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.234 -1.472 4.559 1.00 0.00 H new ATOM 447 N CYS A 34 7.153 -3.018 4.442 1.00 0.00 N ATOM 448 CA CYS A 34 5.906 -3.759 4.670 1.00 0.00 C ATOM 449 C CYS A 34 5.628 -4.171 6.112 1.00 0.00 C ATOM 450 O CYS A 34 6.493 -4.693 6.812 1.00 0.00 O ATOM 451 CB CYS A 34 5.885 -5.015 3.811 1.00 0.00 C ATOM 452 SG CYS A 34 4.403 -5.142 2.776 1.00 0.00 S ATOM 0 H CYS A 34 8.000 -3.580 4.523 1.00 0.00 H new ATOM 0 HA CYS A 34 5.123 -3.051 4.399 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.769 -5.027 3.173 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.946 -5.891 4.457 1.00 0.00 H new ATOM 457 N PHE A 35 4.364 -3.990 6.501 1.00 0.00 N ATOM 458 CA PHE A 35 3.864 -4.398 7.813 1.00 0.00 C ATOM 459 C PHE A 35 2.543 -5.149 7.647 1.00 0.00 C ATOM 460 O PHE A 35 1.522 -4.525 7.378 1.00 0.00 O ATOM 461 CB PHE A 35 3.636 -3.189 8.717 1.00 0.00 C ATOM 462 CG PHE A 35 4.788 -2.246 8.735 1.00 0.00 C ATOM 463 CD1 PHE A 35 5.033 -1.448 7.642 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.629 -2.162 9.834 1.00 0.00 C ATOM 465 CE1 PHE A 35 6.092 -0.580 7.632 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.699 -1.284 9.828 1.00 0.00 C ATOM 467 CZ PHE A 35 6.925 -0.491 8.718 1.00 0.00 C ATOM 0 H PHE A 35 3.656 -3.554 5.911 1.00 0.00 H new ATOM 0 HA PHE A 35 4.612 -5.043 8.274 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.745 -2.657 8.384 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.441 -3.534 9.732 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.383 -1.507 6.782 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.449 -2.784 10.698 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.272 0.038 6.765 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.353 -1.219 10.685 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.757 0.198 8.706 1.00 0.00 H new ATOM 477 N VAL A 36 2.528 -6.466 7.823 1.00 0.00 N ATOM 478 CA VAL A 36 1.269 -7.195 7.697 1.00 0.00 C ATOM 479 C VAL A 36 0.635 -7.361 9.060 1.00 0.00 C ATOM 480 O VAL A 36 1.070 -8.176 9.873 1.00 0.00 O ATOM 481 CB VAL A 36 1.417 -8.575 7.035 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.042 -9.119 6.637 1.00 0.00 C ATOM 483 CG2 VAL A 36 2.344 -8.489 5.831 1.00 0.00 C ATOM 0 H VAL A 36 3.344 -7.036 8.046 1.00 0.00 H new ATOM 0 HA VAL A 36 0.635 -6.598 7.042 1.00 0.00 H new ATOM 0 HB VAL A 36 1.861 -9.266 7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.159 -10.097 6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.583 -9.214 7.525 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.430 -8.434 5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.438 -9.474 5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.932 -7.789 5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.326 -8.142 6.152 1.00 0.00 H new ATOM 493 N GLY A 37 -0.384 -6.558 9.305 1.00 0.00 N ATOM 494 CA GLY A 37 -1.063 -6.597 10.587 1.00 0.00 C ATOM 495 C GLY A 37 -0.136 -6.219 11.733 1.00 0.00 C ATOM 496 O GLY A 37 -0.429 -6.492 12.897 1.00 0.00 O ATOM 0 H GLY A 37 -0.756 -5.878 8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.913 -5.915 10.568 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.460 -7.598 10.757 1.00 0.00 H new ATOM 500 N THR A 38 0.991 -5.593 11.393 1.00 0.00 N ATOM 501 CA THR A 38 1.978 -5.165 12.380 1.00 0.00 C ATOM 502 C THR A 38 1.602 -3.792 12.936 1.00 0.00 C ATOM 503 O THR A 38 0.669 -3.158 12.448 1.00 0.00 O ATOM 504 CB THR A 38 3.363 -5.111 11.725 1.00 0.00 C ATOM 505 OG1 THR A 38 3.539 -6.202 10.840 1.00 0.00 O ATOM 506 CG2 THR A 38 4.515 -5.130 12.704 1.00 0.00 C ATOM 0 H THR A 38 1.243 -5.370 10.430 1.00 0.00 H new ATOM 0 HA THR A 38 1.999 -5.878 13.204 1.00 0.00 H new ATOM 0 HB THR A 38 3.383 -4.156 11.200 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.428 -6.150 10.430 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.457 -5.089 12.158 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.443 -4.268 13.368 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.477 -6.046 13.293 1.00 0.00 H new ATOM 514 N ALA A 39 2.333 -3.332 13.951 1.00 0.00 N ATOM 515 CA ALA A 39 2.066 -2.029 14.564 1.00 0.00 C ATOM 516 C ALA A 39 1.788 -0.953 13.513 1.00 0.00 C ATOM 517 O ALA A 39 0.757 -0.296 13.546 1.00 0.00 O ATOM 518 CB ALA A 39 3.230 -1.607 15.449 1.00 0.00 C ATOM 0 H ALA A 39 3.114 -3.840 14.366 1.00 0.00 H new ATOM 0 HA ALA A 39 1.171 -2.135 15.177 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.014 -0.637 15.896 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.374 -2.346 16.237 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.137 -1.536 14.848 1.00 0.00 H new ATOM 524 N GLU A 40 2.713 -0.775 12.584 1.00 0.00 N ATOM 525 CA GLU A 40 2.561 0.224 11.533 1.00 0.00 C ATOM 526 C GLU A 40 1.466 -0.150 10.524 1.00 0.00 C ATOM 527 O GLU A 40 1.201 0.603 9.586 1.00 0.00 O ATOM 528 CB GLU A 40 3.892 0.420 10.816 1.00 0.00 C ATOM 529 CG GLU A 40 4.593 1.718 11.179 1.00 0.00 C ATOM 530 CD GLU A 40 5.579 1.549 12.318 1.00 0.00 C ATOM 531 OE1 GLU A 40 6.756 1.233 12.042 1.00 0.00 O ATOM 532 OE2 GLU A 40 5.175 1.730 13.485 1.00 0.00 O ATOM 0 H GLU A 40 3.580 -1.310 12.534 1.00 0.00 H new ATOM 0 HA GLU A 40 2.253 1.156 12.007 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.549 -0.417 11.053 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.722 0.397 9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.117 2.101 10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.848 2.464 11.456 1.00 0.00 H new ATOM 539 N ALA A 41 0.859 -1.324 10.691 1.00 0.00 N ATOM 540 CA ALA A 41 -0.172 -1.788 9.765 1.00 0.00 C ATOM 541 C ALA A 41 -1.588 -1.669 10.326 1.00 0.00 C ATOM 542 O ALA A 41 -2.558 -1.657 9.567 1.00 0.00 O ATOM 543 CB ALA A 41 0.098 -3.228 9.403 1.00 0.00 C ATOM 0 H ALA A 41 1.062 -1.968 11.455 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.123 -1.144 8.887 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.668 -3.579 8.712 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.077 -3.307 8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.081 -3.839 10.305 1.00 0.00 H new ATOM 549 N LEU A 42 -1.714 -1.610 11.646 1.00 0.00 N ATOM 550 CA LEU A 42 -3.025 -1.520 12.286 1.00 0.00 C ATOM 551 C LEU A 42 -3.933 -0.474 11.641 1.00 0.00 C ATOM 552 O LEU A 42 -5.150 -0.541 11.788 1.00 0.00 O ATOM 553 CB LEU A 42 -2.892 -1.248 13.791 1.00 0.00 C ATOM 554 CG LEU A 42 -1.865 -0.186 14.216 1.00 0.00 C ATOM 555 CD1 LEU A 42 -1.499 0.737 13.065 1.00 0.00 C ATOM 556 CD2 LEU A 42 -2.389 0.620 15.397 1.00 0.00 C ATOM 0 H LEU A 42 -0.927 -1.623 12.295 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.498 -2.491 12.140 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.869 -0.946 14.169 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.635 -2.185 14.284 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.958 -0.710 14.519 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.771 1.473 13.406 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.070 0.152 12.252 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.394 1.249 12.710 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.649 1.367 15.685 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.317 1.118 15.115 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.577 -0.047 16.238 1.00 0.00 H new ATOM 568 N ARG A 43 -3.352 0.479 10.920 1.00 0.00 N ATOM 569 CA ARG A 43 -4.129 1.523 10.260 1.00 0.00 C ATOM 570 C ARG A 43 -5.289 0.959 9.446 1.00 0.00 C ATOM 571 O ARG A 43 -6.232 1.679 9.115 1.00 0.00 O ATOM 572 CB ARG A 43 -3.227 2.352 9.364 1.00 0.00 C ATOM 573 CG ARG A 43 -3.223 3.823 9.729 1.00 0.00 C ATOM 574 CD ARG A 43 -2.627 4.042 11.110 1.00 0.00 C ATOM 575 NE ARG A 43 -1.556 5.030 11.085 1.00 0.00 N ATOM 576 CZ ARG A 43 -1.476 6.069 11.912 1.00 0.00 C ATOM 577 NH1 ARG A 43 -2.388 6.259 12.857 1.00 0.00 N ATOM 578 NH2 ARG A 43 -0.471 6.920 11.793 1.00 0.00 N ATOM 0 H ARG A 43 -2.345 0.550 10.777 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.556 2.151 11.042 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.210 1.965 9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.550 2.241 8.329 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.651 4.383 8.989 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.242 4.210 9.703 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.408 4.370 11.796 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.242 3.097 11.494 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.820 4.918 10.388 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.163 5.604 12.957 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.314 7.060 13.484 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.235 6.777 11.071 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.402 7.719 12.423 1.00 0.00 H new ATOM 592 N CYS A 44 -5.217 -0.322 9.119 1.00 0.00 N ATOM 593 CA CYS A 44 -6.262 -0.962 8.343 1.00 0.00 C ATOM 594 C CYS A 44 -7.519 -1.183 9.171 1.00 0.00 C ATOM 595 O CYS A 44 -8.522 -1.671 8.652 1.00 0.00 O ATOM 596 CB CYS A 44 -5.761 -2.280 7.753 1.00 0.00 C ATOM 597 SG CYS A 44 -6.022 -2.459 5.954 1.00 0.00 S ATOM 0 H CYS A 44 -4.446 -0.936 9.380 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.524 -0.293 7.524 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.696 -2.375 7.963 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.261 -3.104 8.263 1.00 0.00 H new ATOM 602 N GLN A 45 -7.499 -0.783 10.444 1.00 0.00 N ATOM 603 CA GLN A 45 -8.675 -0.903 11.271 1.00 0.00 C ATOM 604 C GLN A 45 -9.824 -0.206 10.557 1.00 0.00 C ATOM 605 O GLN A 45 -10.980 -0.628 10.612 1.00 0.00 O ATOM 606 CB GLN A 45 -8.448 -0.255 12.637 1.00 0.00 C ATOM 607 CG GLN A 45 -7.529 0.960 12.636 1.00 0.00 C ATOM 608 CD GLN A 45 -7.277 1.495 14.033 1.00 0.00 C ATOM 609 OE1 GLN A 45 -8.154 2.103 14.645 1.00 0.00 O ATOM 610 NE2 GLN A 45 -6.072 1.269 14.545 1.00 0.00 N ATOM 0 H GLN A 45 -6.686 -0.379 10.910 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.903 -1.956 11.434 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.414 0.041 13.045 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.033 -1.004 13.312 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.578 0.693 12.175 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.971 1.746 12.023 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.374 0.760 14.002 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.844 1.604 15.481 1.00 0.00 H new ATOM 619 N GLU A 46 -9.457 0.872 9.877 1.00 0.00 N ATOM 620 CA GLU A 46 -10.376 1.682 9.115 1.00 0.00 C ATOM 621 C GLU A 46 -10.783 0.994 7.812 1.00 0.00 C ATOM 622 O GLU A 46 -11.722 1.424 7.141 1.00 0.00 O ATOM 623 CB GLU A 46 -9.680 2.996 8.804 1.00 0.00 C ATOM 624 CG GLU A 46 -9.854 4.035 9.889 1.00 0.00 C ATOM 625 CD GLU A 46 -9.167 5.347 9.562 1.00 0.00 C ATOM 626 OE1 GLU A 46 -9.785 6.186 8.874 1.00 0.00 O ATOM 627 OE2 GLU A 46 -8.010 5.534 9.995 1.00 0.00 O ATOM 0 H GLU A 46 -8.494 1.207 9.844 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.285 1.843 9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.616 2.810 8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.068 3.392 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.917 4.216 10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.456 3.645 10.826 1.00 0.00 H new ATOM 634 N GLU A 47 -10.082 -0.083 7.460 1.00 0.00 N ATOM 635 CA GLU A 47 -10.394 -0.823 6.242 1.00 0.00 C ATOM 636 C GLU A 47 -11.729 -1.556 6.379 1.00 0.00 C ATOM 637 O GLU A 47 -12.214 -2.165 5.426 1.00 0.00 O ATOM 638 CB GLU A 47 -9.274 -1.820 5.935 1.00 0.00 C ATOM 639 CG GLU A 47 -9.447 -2.565 4.619 1.00 0.00 C ATOM 640 CD GLU A 47 -8.842 -1.823 3.445 1.00 0.00 C ATOM 641 OE1 GLU A 47 -9.261 -0.675 3.189 1.00 0.00 O ATOM 642 OE2 GLU A 47 -7.948 -2.391 2.781 1.00 0.00 O ATOM 0 H GLU A 47 -9.301 -0.459 7.997 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.477 -0.114 5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.323 -1.287 5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.216 -2.546 6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.985 -3.549 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.509 -2.726 4.434 1.00 0.00 H new ATOM 649 N ASN A 48 -12.334 -1.484 7.565 1.00 0.00 N ATOM 650 CA ASN A 48 -13.612 -2.131 7.808 1.00 0.00 C ATOM 651 C ASN A 48 -14.634 -1.733 6.742 1.00 0.00 C ATOM 652 O ASN A 48 -15.583 -2.469 6.472 1.00 0.00 O ATOM 653 CB ASN A 48 -14.133 -1.767 9.201 1.00 0.00 C ATOM 654 CG ASN A 48 -14.319 -0.272 9.384 1.00 0.00 C ATOM 655 OD1 ASN A 48 -15.415 0.254 9.197 1.00 0.00 O ATOM 656 ND2 ASN A 48 -13.248 0.419 9.765 1.00 0.00 N ATOM 0 H ASN A 48 -11.955 -0.983 8.369 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.465 -3.210 7.756 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.084 -2.271 9.372 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.436 -2.137 9.953 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.317 1.426 9.913 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.358 -0.058 9.909 1.00 0.00 H new ATOM 663 N TYR A 49 -14.426 -0.565 6.134 1.00 0.00 N ATOM 664 CA TYR A 49 -15.324 -0.062 5.096 1.00 0.00 C ATOM 665 C TYR A 49 -15.104 -0.796 3.772 1.00 0.00 C ATOM 666 O TYR A 49 -14.387 -1.796 3.718 1.00 0.00 O ATOM 667 CB TYR A 49 -15.107 1.445 4.907 1.00 0.00 C ATOM 668 CG TYR A 49 -15.625 2.303 6.040 1.00 0.00 C ATOM 669 CD1 TYR A 49 -16.242 1.727 7.129 1.00 0.00 C ATOM 670 CD2 TYR A 49 -15.500 3.685 6.012 1.00 0.00 C ATOM 671 CE1 TYR A 49 -16.725 2.493 8.171 1.00 0.00 C ATOM 672 CE2 TYR A 49 -15.978 4.465 7.048 1.00 0.00 C ATOM 673 CZ TYR A 49 -16.592 3.863 8.127 1.00 0.00 C ATOM 674 OH TYR A 49 -17.071 4.632 9.165 1.00 0.00 O ATOM 0 H TYR A 49 -13.641 0.052 6.344 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.351 -0.243 5.414 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.040 1.633 4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.593 1.756 3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -16.350 0.653 7.168 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -15.022 4.158 5.167 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -17.204 2.021 9.016 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -15.872 5.539 7.013 1.00 0.00 H new ATOM 0 HH TYR A 49 -16.897 5.578 8.979 1.00 0.00 H new ATOM 684 N LEU A 50 -15.738 -0.302 2.708 1.00 0.00 N ATOM 685 CA LEU A 50 -15.625 -0.909 1.394 1.00 0.00 C ATOM 686 C LEU A 50 -14.666 -0.118 0.499 1.00 0.00 C ATOM 687 O LEU A 50 -14.867 1.074 0.268 1.00 0.00 O ATOM 688 CB LEU A 50 -17.005 -0.991 0.731 1.00 0.00 C ATOM 689 CG LEU A 50 -17.555 -2.406 0.537 1.00 0.00 C ATOM 690 CD1 LEU A 50 -16.565 -3.264 -0.236 1.00 0.00 C ATOM 691 CD2 LEU A 50 -17.884 -3.042 1.881 1.00 0.00 C ATOM 0 H LEU A 50 -16.337 0.523 2.738 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.224 -1.914 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -17.714 -0.423 1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -16.952 -0.503 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 50 -18.475 -2.340 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.974 -4.266 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -16.384 -2.819 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.627 -3.323 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -18.274 -4.047 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.981 -3.095 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -18.633 -2.440 2.395 1.00 0.00 H new ATOM 703 N PRO A 51 -13.610 -0.772 -0.023 1.00 0.00 N ATOM 704 CA PRO A 51 -12.624 -0.121 -0.898 1.00 0.00 C ATOM 705 C PRO A 51 -13.269 0.729 -1.991 1.00 0.00 C ATOM 706 O PRO A 51 -14.367 0.425 -2.459 1.00 0.00 O ATOM 707 CB PRO A 51 -11.885 -1.307 -1.509 1.00 0.00 C ATOM 708 CG PRO A 51 -11.919 -2.325 -0.431 1.00 0.00 C ATOM 709 CD PRO A 51 -13.282 -2.196 0.192 1.00 0.00 C ATOM 0 HA PRO A 51 -11.987 0.575 -0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.376 -1.664 -2.414 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.863 -1.046 -1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.762 -3.327 -0.831 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.133 -2.148 0.303 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.008 -2.854 -0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -13.268 -2.452 1.251 1.00 0.00 H new ATOM 717 N SER A 52 -12.579 1.792 -2.396 1.00 0.00 N ATOM 718 CA SER A 52 -13.083 2.684 -3.438 1.00 0.00 C ATOM 719 C SER A 52 -11.950 3.148 -4.355 1.00 0.00 C ATOM 720 O SER A 52 -10.789 3.185 -3.948 1.00 0.00 O ATOM 721 CB SER A 52 -13.779 3.895 -2.811 1.00 0.00 C ATOM 722 OG SER A 52 -15.127 3.987 -3.238 1.00 0.00 O ATOM 0 H SER A 52 -11.669 2.057 -2.019 1.00 0.00 H new ATOM 0 HA SER A 52 -13.806 2.130 -4.037 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.743 3.817 -1.724 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.245 4.806 -3.083 1.00 0.00 H new ATOM 0 HG SER A 52 -15.549 4.767 -2.822 1.00 0.00 H new ATOM 728 N PRO A 53 -12.274 3.511 -5.611 1.00 0.00 N ATOM 729 CA PRO A 53 -11.277 3.976 -6.585 1.00 0.00 C ATOM 730 C PRO A 53 -10.545 5.224 -6.104 1.00 0.00 C ATOM 731 O PRO A 53 -11.009 6.345 -6.310 1.00 0.00 O ATOM 732 CB PRO A 53 -12.107 4.294 -7.834 1.00 0.00 C ATOM 733 CG PRO A 53 -13.380 3.538 -7.658 1.00 0.00 C ATOM 734 CD PRO A 53 -13.632 3.497 -6.179 1.00 0.00 C ATOM 0 HA PRO A 53 -10.500 3.231 -6.757 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.293 5.364 -7.921 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.588 3.986 -8.741 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -14.201 4.028 -8.181 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.297 2.532 -8.068 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -14.218 4.354 -5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.182 2.602 -5.888 1.00 0.00 H new ATOM 742 N CYS A 54 -9.402 5.023 -5.457 1.00 0.00 N ATOM 743 CA CYS A 54 -8.610 6.136 -4.934 1.00 0.00 C ATOM 744 C CYS A 54 -7.497 6.539 -5.900 1.00 0.00 C ATOM 745 O CYS A 54 -7.442 6.071 -7.038 1.00 0.00 O ATOM 746 CB CYS A 54 -8.012 5.764 -3.574 1.00 0.00 C ATOM 747 SG CYS A 54 -7.166 4.151 -3.539 1.00 0.00 S ATOM 0 H CYS A 54 -9.002 4.102 -5.281 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.277 6.990 -4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.304 6.538 -3.278 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.808 5.759 -2.830 1.00 0.00 H new ATOM 752 N GLN A 55 -6.625 7.430 -5.434 1.00 0.00 N ATOM 753 CA GLN A 55 -5.517 7.926 -6.227 1.00 0.00 C ATOM 754 C GLN A 55 -4.435 6.854 -6.381 1.00 0.00 C ATOM 755 O GLN A 55 -4.511 5.795 -5.757 1.00 0.00 O ATOM 756 CB GLN A 55 -4.947 9.166 -5.528 1.00 0.00 C ATOM 757 CG GLN A 55 -3.958 9.968 -6.356 1.00 0.00 C ATOM 758 CD GLN A 55 -2.556 9.927 -5.779 1.00 0.00 C ATOM 759 OE1 GLN A 55 -1.707 9.160 -6.231 1.00 0.00 O ATOM 760 NE2 GLN A 55 -2.310 10.754 -4.769 1.00 0.00 N ATOM 0 H GLN A 55 -6.672 7.825 -4.495 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.865 8.185 -7.227 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.774 9.817 -5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.457 8.853 -4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.941 9.579 -7.374 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.293 11.003 -6.416 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.045 11.373 -4.426 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.387 10.770 -4.336 1.00 0.00 H new ATOM 769 N SER A 56 -3.427 7.131 -7.210 1.00 0.00 N ATOM 770 CA SER A 56 -2.340 6.183 -7.431 1.00 0.00 C ATOM 771 C SER A 56 -1.627 5.869 -6.122 1.00 0.00 C ATOM 772 O SER A 56 -1.897 6.490 -5.095 1.00 0.00 O ATOM 773 CB SER A 56 -1.345 6.732 -8.456 1.00 0.00 C ATOM 774 OG SER A 56 -0.569 7.782 -7.906 1.00 0.00 O ATOM 0 H SER A 56 -3.343 8.001 -7.736 1.00 0.00 H new ATOM 0 HA SER A 56 -2.769 5.261 -7.823 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.689 5.930 -8.795 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.884 7.095 -9.331 1.00 0.00 H new ATOM 0 HG SER A 56 -1.160 8.439 -7.483 1.00 0.00 H new ATOM 780 N GLY A 57 -0.729 4.891 -6.158 1.00 0.00 N ATOM 781 CA GLY A 57 -0.014 4.504 -4.967 1.00 0.00 C ATOM 782 C GLY A 57 0.681 3.199 -5.167 1.00 0.00 C ATOM 783 O GLY A 57 1.905 3.108 -5.078 1.00 0.00 O ATOM 0 H GLY A 57 -0.486 4.361 -6.995 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.714 5.273 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.708 4.427 -4.130 1.00 0.00 H new ATOM 787 N GLN A 58 -0.103 2.186 -5.472 1.00 0.00 N ATOM 788 CA GLN A 58 0.428 0.891 -5.720 1.00 0.00 C ATOM 789 C GLN A 58 0.614 0.729 -7.213 1.00 0.00 C ATOM 790 O GLN A 58 -0.288 0.271 -7.910 1.00 0.00 O ATOM 791 CB GLN A 58 -0.552 -0.127 -5.183 1.00 0.00 C ATOM 792 CG GLN A 58 -0.489 -0.249 -3.682 1.00 0.00 C ATOM 793 CD GLN A 58 -0.383 -1.691 -3.214 1.00 0.00 C ATOM 794 OE1 GLN A 58 0.425 -2.018 -2.348 1.00 0.00 O ATOM 795 NE2 GLN A 58 -1.221 -2.557 -3.771 1.00 0.00 N ATOM 0 H GLN A 58 -1.118 2.251 -5.551 1.00 0.00 H new ATOM 0 HA GLN A 58 1.392 0.751 -5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.563 0.154 -5.480 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.346 -1.098 -5.633 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.369 0.313 -3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.379 0.205 -3.247 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.877 -2.244 -4.487 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.209 -3.535 -3.483 1.00 0.00 H new ATOM 804 N LYS A 59 1.781 1.127 -7.703 1.00 0.00 N ATOM 805 CA LYS A 59 2.063 1.041 -9.117 1.00 0.00 C ATOM 806 C LYS A 59 2.155 -0.430 -9.538 1.00 0.00 C ATOM 807 O LYS A 59 3.069 -1.143 -9.129 1.00 0.00 O ATOM 808 CB LYS A 59 3.335 1.816 -9.473 1.00 0.00 C ATOM 809 CG LYS A 59 4.525 1.458 -8.631 1.00 0.00 C ATOM 810 CD LYS A 59 4.694 2.454 -7.499 1.00 0.00 C ATOM 811 CE LYS A 59 5.180 3.805 -7.999 1.00 0.00 C ATOM 812 NZ LYS A 59 6.180 4.414 -7.077 1.00 0.00 N ATOM 0 H LYS A 59 2.540 1.510 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 59 1.246 1.504 -9.671 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.577 1.636 -10.520 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.138 2.883 -9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.402 0.454 -8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.423 1.444 -9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.743 2.579 -6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.404 2.060 -6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.623 3.688 -8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.330 4.479 -8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.485 5.334 -7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.750 4.550 -6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.003 3.784 -6.992 1.00 0.00 H new ATOM 826 N PRO A 60 1.169 -0.915 -10.312 1.00 0.00 N ATOM 827 CA PRO A 60 1.084 -2.316 -10.746 1.00 0.00 C ATOM 828 C PRO A 60 2.396 -2.990 -11.150 1.00 0.00 C ATOM 829 O PRO A 60 3.351 -2.346 -11.583 1.00 0.00 O ATOM 830 CB PRO A 60 0.143 -2.230 -11.941 1.00 0.00 C ATOM 831 CG PRO A 60 -0.804 -1.147 -11.570 1.00 0.00 C ATOM 832 CD PRO A 60 0.001 -0.143 -10.787 1.00 0.00 C ATOM 0 HA PRO A 60 0.756 -2.943 -9.917 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.682 -1.993 -12.858 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -0.375 -3.174 -12.111 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.241 -0.690 -12.458 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.629 -1.537 -10.973 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.305 0.698 -11.410 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.572 0.267 -9.955 1.00 0.00 H new ATOM 840 N CYS A 61 2.379 -4.326 -11.040 1.00 0.00 N ATOM 841 CA CYS A 61 3.499 -5.181 -11.411 1.00 0.00 C ATOM 842 C CYS A 61 3.031 -6.623 -11.603 1.00 0.00 C ATOM 843 O CYS A 61 2.022 -7.056 -11.031 1.00 0.00 O ATOM 844 CB CYS A 61 4.633 -5.150 -10.380 1.00 0.00 C ATOM 845 SG CYS A 61 4.164 -4.553 -8.724 1.00 0.00 S ATOM 0 H CYS A 61 1.574 -4.843 -10.686 1.00 0.00 H new ATOM 0 HA CYS A 61 3.891 -4.787 -12.349 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.041 -6.156 -10.283 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.433 -4.517 -10.763 1.00 0.00 H new ATOM 850 N GLY A 62 3.777 -7.360 -12.416 1.00 0.00 N ATOM 851 CA GLY A 62 3.445 -8.739 -12.705 1.00 0.00 C ATOM 852 C GLY A 62 3.611 -9.678 -11.520 1.00 0.00 C ATOM 853 O GLY A 62 3.442 -10.889 -11.663 1.00 0.00 O ATOM 0 H GLY A 62 4.617 -7.020 -12.885 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.413 -8.788 -13.052 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.074 -9.089 -13.524 1.00 0.00 H new ATOM 857 N SER A 63 3.953 -9.137 -10.354 1.00 0.00 N ATOM 858 CA SER A 63 4.143 -9.952 -9.176 1.00 0.00 C ATOM 859 C SER A 63 2.845 -10.098 -8.383 1.00 0.00 C ATOM 860 O SER A 63 2.797 -9.816 -7.186 1.00 0.00 O ATOM 861 CB SER A 63 5.245 -9.364 -8.294 1.00 0.00 C ATOM 862 OG SER A 63 5.525 -10.211 -7.194 1.00 0.00 O ATOM 0 H SER A 63 4.102 -8.139 -10.208 1.00 0.00 H new ATOM 0 HA SER A 63 4.446 -10.947 -9.503 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.149 -9.219 -8.885 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.940 -8.382 -7.932 1.00 0.00 H new ATOM 0 HG SER A 63 4.698 -10.389 -6.700 1.00 0.00 H new ATOM 868 N GLY A 64 1.800 -10.558 -9.065 1.00 0.00 N ATOM 869 CA GLY A 64 0.517 -10.765 -8.426 1.00 0.00 C ATOM 870 C GLY A 64 -0.045 -9.533 -7.756 1.00 0.00 C ATOM 871 O GLY A 64 -0.735 -9.631 -6.740 1.00 0.00 O ATOM 0 H GLY A 64 1.822 -10.792 -10.057 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.196 -11.117 -9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.617 -11.556 -7.683 1.00 0.00 H new ATOM 875 N GLY A 65 0.236 -8.379 -8.324 1.00 0.00 N ATOM 876 CA GLY A 65 -0.267 -7.148 -7.768 1.00 0.00 C ATOM 877 C GLY A 65 0.459 -5.912 -8.206 1.00 0.00 C ATOM 878 O GLY A 65 1.016 -5.848 -9.299 1.00 0.00 O ATOM 0 H GLY A 65 0.805 -8.271 -9.163 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.319 -7.048 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.221 -7.212 -6.681 1.00 0.00 H new ATOM 882 N ARG A 66 0.434 -4.912 -7.343 1.00 0.00 N ATOM 883 CA ARG A 66 1.077 -3.661 -7.628 1.00 0.00 C ATOM 884 C ARG A 66 2.194 -3.397 -6.636 1.00 0.00 C ATOM 885 O ARG A 66 2.187 -3.932 -5.531 1.00 0.00 O ATOM 886 CB ARG A 66 0.098 -2.489 -7.592 1.00 0.00 C ATOM 887 CG ARG A 66 -1.356 -2.857 -7.859 1.00 0.00 C ATOM 888 CD ARG A 66 -1.503 -3.686 -9.122 1.00 0.00 C ATOM 889 NE ARG A 66 -2.886 -3.767 -9.583 1.00 0.00 N ATOM 890 CZ ARG A 66 -3.799 -4.580 -9.058 1.00 0.00 C ATOM 891 NH1 ARG A 66 -3.505 -5.327 -8.001 1.00 0.00 N ATOM 892 NH2 ARG A 66 -5.014 -4.636 -9.584 1.00 0.00 N ATOM 0 H ARG A 66 -0.030 -4.952 -6.436 1.00 0.00 H new ATOM 0 HA ARG A 66 1.483 -3.741 -8.636 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.163 -2.011 -6.615 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.412 -1.750 -8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.752 -3.414 -7.010 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.951 -1.948 -7.949 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.886 -3.254 -9.910 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.126 -4.692 -8.938 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.170 -3.163 -10.355 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.574 -5.280 -7.586 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.210 -5.948 -7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.248 -4.056 -10.390 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.715 -5.259 -9.183 1.00 0.00 H new ATOM 906 N CYS A 67 3.142 -2.558 -7.029 1.00 0.00 N ATOM 907 CA CYS A 67 4.254 -2.208 -6.168 1.00 0.00 C ATOM 908 C CYS A 67 3.752 -1.491 -4.937 1.00 0.00 C ATOM 909 O CYS A 67 2.626 -0.998 -4.907 1.00 0.00 O ATOM 910 CB CYS A 67 5.271 -1.346 -6.915 1.00 0.00 C ATOM 911 SG CYS A 67 6.866 -1.148 -6.056 1.00 0.00 S ATOM 0 H CYS A 67 3.160 -2.107 -7.944 1.00 0.00 H new ATOM 0 HA CYS A 67 4.754 -3.126 -5.859 1.00 0.00 H new ATOM 0 HB2 CYS A 67 5.452 -1.787 -7.895 1.00 0.00 H new ATOM 0 HB3 CYS A 67 4.839 -0.360 -7.084 1.00 0.00 H new ATOM 916 N ALA A 68 4.577 -1.465 -3.912 1.00 0.00 N ATOM 917 CA ALA A 68 4.192 -0.839 -2.672 1.00 0.00 C ATOM 918 C ALA A 68 5.404 -0.324 -1.878 1.00 0.00 C ATOM 919 O ALA A 68 5.890 0.778 -2.124 1.00 0.00 O ATOM 920 CB ALA A 68 3.362 -1.844 -1.881 1.00 0.00 C ATOM 0 H ALA A 68 5.514 -1.869 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 68 3.594 0.049 -2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.055 -1.398 -0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.478 -2.119 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.959 -2.735 -1.685 1.00 0.00 H new ATOM 926 N ALA A 69 5.854 -1.120 -0.917 1.00 0.00 N ATOM 927 CA ALA A 69 6.986 -0.776 -0.049 1.00 0.00 C ATOM 928 C ALA A 69 8.329 -0.952 -0.723 1.00 0.00 C ATOM 929 O ALA A 69 8.388 -1.161 -1.933 1.00 0.00 O ATOM 930 CB ALA A 69 6.951 -1.567 1.227 1.00 0.00 C ATOM 0 H ALA A 69 5.444 -2.031 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 69 6.874 0.284 0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.802 -1.291 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.025 -1.354 1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.000 -2.631 0.997 1.00 0.00 H new ATOM 936 N ALA A 70 9.423 -0.861 0.072 1.00 0.00 N ATOM 937 CA ALA A 70 10.767 -1.023 -0.488 1.00 0.00 C ATOM 938 C ALA A 70 10.776 -2.164 -1.460 1.00 0.00 C ATOM 939 O ALA A 70 10.997 -3.305 -1.066 1.00 0.00 O ATOM 940 CB ALA A 70 11.810 -1.325 0.569 1.00 0.00 C ATOM 0 H ALA A 70 9.394 -0.681 1.076 1.00 0.00 H new ATOM 0 HA ALA A 70 11.015 -0.077 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.786 -1.435 0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.846 -0.508 1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.550 -2.250 1.083 1.00 0.00 H new ATOM 946 N GLY A 71 10.477 -1.886 -2.708 1.00 0.00 N ATOM 947 CA GLY A 71 10.422 -2.949 -3.655 1.00 0.00 C ATOM 948 C GLY A 71 9.456 -4.013 -3.197 1.00 0.00 C ATOM 949 O GLY A 71 9.853 -5.105 -2.807 1.00 0.00 O ATOM 0 H GLY A 71 10.275 -0.956 -3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.114 -2.563 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.414 -3.381 -3.784 1.00 0.00 H new ATOM 953 N ILE A 72 8.184 -3.694 -3.266 1.00 0.00 N ATOM 954 CA ILE A 72 7.148 -4.616 -2.879 1.00 0.00 C ATOM 955 C ILE A 72 6.030 -4.528 -3.878 1.00 0.00 C ATOM 956 O ILE A 72 5.743 -3.466 -4.405 1.00 0.00 O ATOM 957 CB ILE A 72 6.576 -4.344 -1.457 1.00 0.00 C ATOM 958 CG1 ILE A 72 7.528 -4.857 -0.372 1.00 0.00 C ATOM 959 CG2 ILE A 72 5.190 -4.974 -1.274 1.00 0.00 C ATOM 960 CD1 ILE A 72 7.345 -6.319 -0.008 1.00 0.00 C ATOM 0 H ILE A 72 7.842 -2.790 -3.591 1.00 0.00 H new ATOM 0 HA ILE A 72 7.594 -5.610 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 72 6.476 -3.263 -1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.554 -4.706 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.393 -4.253 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.824 -4.763 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.500 -4.555 -2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.259 -6.053 -1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.061 -6.593 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.332 -6.478 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.511 -6.937 -0.890 1.00 0.00 H new ATOM 972 N CYS A 73 5.405 -5.647 -4.113 1.00 0.00 N ATOM 973 CA CYS A 73 4.304 -5.732 -5.012 1.00 0.00 C ATOM 974 C CYS A 73 3.243 -6.532 -4.277 1.00 0.00 C ATOM 975 O CYS A 73 3.406 -7.732 -4.039 1.00 0.00 O ATOM 976 CB CYS A 73 4.744 -6.359 -6.350 1.00 0.00 C ATOM 977 SG CYS A 73 3.540 -6.205 -7.714 1.00 0.00 S ATOM 0 H CYS A 73 5.654 -6.534 -3.676 1.00 0.00 H new ATOM 0 HA CYS A 73 3.902 -4.757 -5.288 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.681 -5.895 -6.659 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.951 -7.417 -6.187 1.00 0.00 H new ATOM 982 N CYS A 74 2.220 -5.833 -3.798 1.00 0.00 N ATOM 983 CA CYS A 74 1.212 -6.472 -2.971 1.00 0.00 C ATOM 984 C CYS A 74 0.023 -7.032 -3.731 1.00 0.00 C ATOM 985 O CYS A 74 -0.401 -6.508 -4.758 1.00 0.00 O ATOM 986 CB CYS A 74 0.747 -5.511 -1.882 1.00 0.00 C ATOM 987 SG CYS A 74 0.201 -6.346 -0.360 1.00 0.00 S ATOM 0 H CYS A 74 2.070 -4.838 -3.967 1.00 0.00 H new ATOM 0 HA CYS A 74 1.700 -7.341 -2.530 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.561 -4.828 -1.640 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.073 -4.906 -2.269 1.00 0.00 H new ATOM 992 N SER A 75 -0.502 -8.120 -3.172 1.00 0.00 N ATOM 993 CA SER A 75 -1.642 -8.828 -3.704 1.00 0.00 C ATOM 994 C SER A 75 -2.806 -8.764 -2.714 1.00 0.00 C ATOM 995 O SER A 75 -2.684 -8.156 -1.650 1.00 0.00 O ATOM 996 CB SER A 75 -1.268 -10.285 -3.993 1.00 0.00 C ATOM 997 OG SER A 75 0.062 -10.384 -4.472 1.00 0.00 O ATOM 0 H SER A 75 -0.131 -8.536 -2.317 1.00 0.00 H new ATOM 0 HA SER A 75 -1.950 -8.356 -4.637 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.376 -10.879 -3.085 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.955 -10.701 -4.730 1.00 0.00 H new ATOM 0 HG SER A 75 0.119 -9.984 -5.365 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.952 -9.383 -3.043 1.00 0.00 N ATOM 1004 CA PRO A 76 -5.130 -9.376 -2.170 1.00 0.00 C ATOM 1005 C PRO A 76 -4.946 -10.269 -0.944 1.00 0.00 C ATOM 1006 O PRO A 76 -5.742 -10.222 -0.006 1.00 0.00 O ATOM 1007 CB PRO A 76 -6.247 -9.948 -3.057 1.00 0.00 C ATOM 1008 CG PRO A 76 -5.690 -9.978 -4.442 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.206 -10.118 -4.286 1.00 0.00 C ATOM 0 HA PRO A 76 -5.335 -8.377 -1.785 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.534 -10.947 -2.729 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.142 -9.327 -3.008 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.103 -10.811 -5.011 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.941 -9.066 -4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.902 -11.162 -4.211 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.666 -9.689 -5.130 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.891 -11.079 -0.954 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.606 -11.977 0.163 1.00 0.00 C ATOM 1019 C ASP A 77 -2.429 -11.465 0.991 1.00 0.00 C ATOM 1020 O ASP A 77 -2.370 -11.682 2.202 1.00 0.00 O ATOM 1021 CB ASP A 77 -3.302 -13.385 -0.353 1.00 0.00 C ATOM 1022 CG ASP A 77 -4.325 -14.404 0.110 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -4.584 -14.473 1.330 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -4.868 -15.132 -0.747 1.00 0.00 O ATOM 0 H ASP A 77 -3.220 -11.133 -1.721 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.489 -12.011 0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.274 -13.372 -1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.312 -13.688 -0.013 1.00 0.00 H new ATOM 1029 N GLY A 78 -1.495 -10.784 0.333 1.00 0.00 N ATOM 1030 CA GLY A 78 -0.343 -10.256 1.024 1.00 0.00 C ATOM 1031 C GLY A 78 0.675 -9.638 0.085 1.00 0.00 C ATOM 1032 O GLY A 78 0.564 -9.773 -1.134 1.00 0.00 O ATOM 0 H GLY A 78 -1.520 -10.591 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.670 -9.505 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.132 -11.056 1.592 1.00 0.00 H new ATOM 1036 N CYS A 79 1.671 -8.955 0.647 1.00 0.00 N ATOM 1037 CA CYS A 79 2.698 -8.336 -0.161 1.00 0.00 C ATOM 1038 C CYS A 79 3.938 -9.208 -0.224 1.00 0.00 C ATOM 1039 O CYS A 79 4.126 -10.108 0.593 1.00 0.00 O ATOM 1040 CB CYS A 79 3.082 -6.962 0.386 1.00 0.00 C ATOM 1041 SG CYS A 79 1.685 -5.940 0.960 1.00 0.00 S ATOM 0 H CYS A 79 1.781 -8.822 1.652 1.00 0.00 H new ATOM 0 HA CYS A 79 2.287 -8.217 -1.164 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.776 -7.099 1.215 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.617 -6.415 -0.391 1.00 0.00 H new ATOM 1046 N GLU A 80 4.794 -8.912 -1.189 1.00 0.00 N ATOM 1047 CA GLU A 80 6.030 -9.637 -1.360 1.00 0.00 C ATOM 1048 C GLU A 80 7.067 -8.744 -2.026 1.00 0.00 C ATOM 1049 O GLU A 80 6.739 -7.973 -2.929 1.00 0.00 O ATOM 1050 CB GLU A 80 5.802 -10.910 -2.176 1.00 0.00 C ATOM 1051 CG GLU A 80 5.476 -10.656 -3.640 1.00 0.00 C ATOM 1052 CD GLU A 80 6.424 -11.375 -4.579 1.00 0.00 C ATOM 1053 OE1 GLU A 80 7.650 -11.312 -4.347 1.00 0.00 O ATOM 1054 OE2 GLU A 80 5.941 -12.003 -5.544 1.00 0.00 O ATOM 0 H GLU A 80 4.647 -8.166 -1.869 1.00 0.00 H new ATOM 0 HA GLU A 80 6.403 -9.932 -0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.695 -11.533 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.987 -11.477 -1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.455 -10.979 -3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.517 -9.585 -3.837 1.00 0.00 H new ATOM 1061 N GLU A 81 8.315 -8.833 -1.576 1.00 0.00 N ATOM 1062 CA GLU A 81 9.366 -8.017 -2.135 1.00 0.00 C ATOM 1063 C GLU A 81 9.482 -8.270 -3.623 1.00 0.00 C ATOM 1064 O GLU A 81 9.820 -9.371 -4.053 1.00 0.00 O ATOM 1065 CB GLU A 81 10.686 -8.297 -1.425 1.00 0.00 C ATOM 1066 CG GLU A 81 10.919 -9.753 -1.113 1.00 0.00 C ATOM 1067 CD GLU A 81 11.303 -9.989 0.335 1.00 0.00 C ATOM 1068 OE1 GLU A 81 10.673 -9.377 1.223 1.00 0.00 O ATOM 1069 OE2 GLU A 81 12.235 -10.784 0.579 1.00 0.00 O ATOM 0 H GLU A 81 8.613 -9.461 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 81 9.120 -6.966 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.505 -7.934 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.714 -7.728 -0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.015 -10.318 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.707 -10.137 -1.761 1.00 0.00 H new ATOM 1076 N ASP A 82 9.171 -7.246 -4.402 1.00 0.00 N ATOM 1077 CA ASP A 82 9.201 -7.354 -5.835 1.00 0.00 C ATOM 1078 C ASP A 82 10.536 -6.861 -6.406 1.00 0.00 C ATOM 1079 O ASP A 82 10.849 -5.673 -6.383 1.00 0.00 O ATOM 1080 CB ASP A 82 8.020 -6.581 -6.434 1.00 0.00 C ATOM 1081 CG ASP A 82 8.024 -5.131 -6.029 1.00 0.00 C ATOM 1082 OD1 ASP A 82 9.011 -4.703 -5.411 1.00 0.00 O ATOM 1083 OD2 ASP A 82 7.047 -4.419 -6.342 1.00 0.00 O ATOM 0 H ASP A 82 8.894 -6.328 -4.054 1.00 0.00 H new ATOM 0 HA ASP A 82 9.108 -8.405 -6.108 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.055 -6.653 -7.521 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.086 -7.043 -6.114 1.00 0.00 H new ATOM 1088 N PRO A 83 11.340 -7.803 -6.922 1.00 0.00 N ATOM 1089 CA PRO A 83 12.637 -7.530 -7.519 1.00 0.00 C ATOM 1090 C PRO A 83 12.485 -6.554 -8.655 1.00 0.00 C ATOM 1091 O PRO A 83 13.437 -5.945 -9.132 1.00 0.00 O ATOM 1092 CB PRO A 83 13.091 -8.904 -8.021 1.00 0.00 C ATOM 1093 CG PRO A 83 12.348 -9.861 -7.167 1.00 0.00 C ATOM 1094 CD PRO A 83 11.021 -9.209 -6.951 1.00 0.00 C ATOM 0 HA PRO A 83 13.352 -7.082 -6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.853 -9.042 -9.076 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.169 -9.031 -7.918 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.241 -10.830 -7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.864 -10.035 -6.223 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.322 -9.446 -7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.560 -9.536 -6.019 1.00 0.00 H new ATOM 1102 N ALA A 84 11.253 -6.388 -9.044 1.00 0.00 N ATOM 1103 CA ALA A 84 10.895 -5.470 -10.062 1.00 0.00 C ATOM 1104 C ALA A 84 10.968 -4.047 -9.537 1.00 0.00 C ATOM 1105 O ALA A 84 11.092 -3.091 -10.302 1.00 0.00 O ATOM 1106 CB ALA A 84 9.489 -5.798 -10.496 1.00 0.00 C ATOM 0 H ALA A 84 10.464 -6.900 -8.650 1.00 0.00 H new ATOM 0 HA ALA A 84 11.581 -5.548 -10.905 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.180 -5.108 -11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.454 -6.819 -10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.814 -5.704 -9.645 1.00 0.00 H new ATOM 1112 N CYS A 85 10.794 -3.918 -8.226 1.00 0.00 N ATOM 1113 CA CYS A 85 10.746 -2.617 -7.598 1.00 0.00 C ATOM 1114 C CYS A 85 11.922 -2.205 -6.675 1.00 0.00 C ATOM 1115 O CYS A 85 12.146 -0.999 -6.568 1.00 0.00 O ATOM 1116 CB CYS A 85 9.433 -2.470 -6.841 1.00 0.00 C ATOM 1117 SG CYS A 85 8.263 -1.259 -7.526 1.00 0.00 S ATOM 0 H CYS A 85 10.685 -4.703 -7.584 1.00 0.00 H new ATOM 0 HA CYS A 85 10.836 -1.929 -8.439 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.943 -3.443 -6.807 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.657 -2.190 -5.812 1.00 0.00 H new ATOM 1122 N ASP A 86 12.660 -3.106 -5.955 1.00 0.00 N ATOM 1123 CA ASP A 86 13.719 -2.530 -5.053 1.00 0.00 C ATOM 1124 C ASP A 86 14.554 -3.415 -4.076 1.00 0.00 C ATOM 1125 O ASP A 86 15.637 -2.979 -3.685 1.00 0.00 O ATOM 1126 CB ASP A 86 13.032 -1.543 -4.114 1.00 0.00 C ATOM 1127 CG ASP A 86 13.968 -0.477 -3.576 1.00 0.00 C ATOM 1128 OD1 ASP A 86 14.849 -0.817 -2.759 1.00 0.00 O ATOM 1129 OD2 ASP A 86 13.812 0.700 -3.964 1.00 0.00 O ATOM 0 H ASP A 86 12.565 -4.122 -5.968 1.00 0.00 H new ATOM 0 HA ASP A 86 14.435 -2.180 -5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.209 -1.061 -4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.597 -2.090 -3.278 1.00 0.00 H new ATOM 1134 N PRO A 87 14.067 -4.543 -3.531 1.00 0.00 N ATOM 1135 CA PRO A 87 14.779 -5.288 -2.487 1.00 0.00 C ATOM 1136 C PRO A 87 15.407 -6.541 -3.008 1.00 0.00 C ATOM 1137 O PRO A 87 16.619 -6.636 -3.205 1.00 0.00 O ATOM 1138 CB PRO A 87 13.629 -5.632 -1.528 1.00 0.00 C ATOM 1139 CG PRO A 87 12.379 -5.288 -2.283 1.00 0.00 C ATOM 1140 CD PRO A 87 12.783 -5.159 -3.723 1.00 0.00 C ATOM 0 HA PRO A 87 15.603 -4.727 -2.046 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.646 -6.687 -1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.702 -5.060 -0.603 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.623 -6.063 -2.159 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.945 -4.358 -1.915 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.847 -6.121 -4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 87 12.098 -4.538 -4.300 1.00 0.00 H new ATOM 1148 N GLU A 88 14.533 -7.470 -3.305 1.00 0.00 N ATOM 1149 CA GLU A 88 14.926 -8.711 -3.903 1.00 0.00 C ATOM 1150 C GLU A 88 15.338 -8.361 -5.329 1.00 0.00 C ATOM 1151 O GLU A 88 15.834 -9.181 -6.103 1.00 0.00 O ATOM 1152 CB GLU A 88 13.743 -9.687 -3.884 1.00 0.00 C ATOM 1153 CG GLU A 88 14.142 -11.139 -4.077 1.00 0.00 C ATOM 1154 CD GLU A 88 13.644 -12.033 -2.958 1.00 0.00 C ATOM 1155 OE1 GLU A 88 13.544 -11.547 -1.811 1.00 0.00 O ATOM 1156 OE2 GLU A 88 13.354 -13.217 -3.228 1.00 0.00 O ATOM 0 H GLU A 88 13.531 -7.383 -3.137 1.00 0.00 H new ATOM 0 HA GLU A 88 15.744 -9.196 -3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.218 -9.588 -2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.040 -9.406 -4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.746 -11.498 -5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.228 -11.209 -4.137 1.00 0.00 H new ATOM 1163 N ALA A 89 15.098 -7.082 -5.615 1.00 0.00 N ATOM 1164 CA ALA A 89 15.373 -6.422 -6.863 1.00 0.00 C ATOM 1165 C ALA A 89 16.847 -6.107 -7.049 1.00 0.00 C ATOM 1166 O ALA A 89 17.724 -6.683 -6.404 1.00 0.00 O ATOM 1167 CB ALA A 89 14.588 -5.117 -6.845 1.00 0.00 C ATOM 0 H ALA A 89 14.680 -6.452 -4.930 1.00 0.00 H new ATOM 0 HA ALA A 89 15.087 -7.079 -7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.762 -4.575 -7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.524 -5.334 -6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.915 -4.508 -6.002 1.00 0.00 H new ATOM 1173 N ALA A 90 17.080 -5.136 -7.917 1.00 0.00 N ATOM 1174 CA ALA A 90 18.392 -4.628 -8.201 1.00 0.00 C ATOM 1175 C ALA A 90 18.884 -3.907 -6.966 1.00 0.00 C ATOM 1176 O ALA A 90 18.158 -3.843 -5.973 1.00 0.00 O ATOM 1177 CB ALA A 90 18.311 -3.652 -9.357 1.00 0.00 C ATOM 0 H ALA A 90 16.341 -4.677 -8.449 1.00 0.00 H new ATOM 0 HA ALA A 90 19.071 -5.438 -8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 90 19.306 -3.264 -9.576 1.00 0.00 H new ATOM 0 HB2 ALA A 90 17.919 -4.162 -10.237 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.650 -2.827 -9.091 1.00 0.00 H new ATOM 1183 N PHE A 91 20.076 -3.331 -7.007 1.00 0.00 N ATOM 1184 CA PHE A 91 20.549 -2.596 -5.844 1.00 0.00 C ATOM 1185 C PHE A 91 19.778 -1.282 -5.783 1.00 0.00 C ATOM 1186 O PHE A 91 20.345 -0.193 -5.868 1.00 0.00 O ATOM 1187 CB PHE A 91 22.057 -2.328 -5.932 1.00 0.00 C ATOM 1188 CG PHE A 91 22.547 -1.988 -7.315 1.00 0.00 C ATOM 1189 CD1 PHE A 91 22.419 -0.703 -7.820 1.00 0.00 C ATOM 1190 CD2 PHE A 91 23.142 -2.956 -8.106 1.00 0.00 C ATOM 1191 CE1 PHE A 91 22.875 -0.392 -9.086 1.00 0.00 C ATOM 1192 CE2 PHE A 91 23.599 -2.651 -9.374 1.00 0.00 C ATOM 1193 CZ PHE A 91 23.466 -1.367 -9.863 1.00 0.00 C ATOM 0 H PHE A 91 20.714 -3.355 -7.802 1.00 0.00 H new ATOM 0 HA PHE A 91 20.381 -3.183 -4.941 1.00 0.00 H new ATOM 0 HB2 PHE A 91 22.308 -1.509 -5.259 1.00 0.00 H new ATOM 0 HB3 PHE A 91 22.592 -3.208 -5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 91 21.957 0.064 -7.216 1.00 0.00 H new ATOM 0 HD2 PHE A 91 23.250 -3.962 -7.727 1.00 0.00 H new ATOM 0 HE1 PHE A 91 22.769 0.613 -9.467 1.00 0.00 H new ATOM 0 HE2 PHE A 91 24.060 -3.416 -9.981 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.824 -1.126 -10.853 1.00 0.00 H new ATOM 1203 N SER A 92 18.461 -1.418 -5.634 1.00 0.00 N ATOM 1204 CA SER A 92 17.551 -0.291 -5.569 1.00 0.00 C ATOM 1205 C SER A 92 17.218 0.059 -4.121 1.00 0.00 C ATOM 1206 O SER A 92 17.251 -0.855 -3.271 1.00 0.00 O ATOM 1207 CB SER A 92 16.276 -0.620 -6.365 1.00 0.00 C ATOM 1208 OG SER A 92 15.167 0.117 -5.884 1.00 0.00 O ATOM 1209 OXT SER A 92 16.931 1.244 -3.850 1.00 0.00 O ATOM 0 H SER A 92 17.999 -2.324 -5.555 1.00 0.00 H new ATOM 0 HA SER A 92 18.031 0.582 -6.012 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.435 -0.396 -7.420 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.065 -1.687 -6.294 1.00 0.00 H new ATOM 0 HG SER A 92 14.413 0.013 -6.501 1.00 0.00 H new TER 1215 SER A 92