USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 560 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 37 ASN : amide:sc= -1.38 K(o=-10,f=-16) USER MOD Set 1.2: A 70 ASN : amide:sc= -8.81! C(o=-10!,f=-16!) USER MOD Set 2.1: A 34 GLN : amide:sc= 0.00253 X(o=0.0043,f=0) USER MOD Set 2.2: A 36 TYR OH : rot 30:sc= 0.00173 USER MOD Set 3.1: A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 2 GLN : amide:sc= -0.718 K(o=-0.72,f=-1.4) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.726 K(o=-0.73,f=0) USER MOD Single : A 8 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.8!) USER MOD Single : A 10 THR OG1 : rot -156:sc= -0.0363 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -116:sc= 0.205 USER MOD Single : A 18 ASN : amide:sc= -0.451 X(o=-0.45,f=-0.45) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.14) USER MOD Single : A 46 ASN : amide:sc= -0.879 K(o=-0.88,f=-2.1!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 51 THR OG1 : rot 171:sc= -0.822 USER MOD Single : A 52 THR OG1 : rot 107:sc= 1.04 USER MOD Single : A 57 ASN : amide:sc= -3.21! K(o=-3.2!,f=-1.7) USER MOD Single : A 60 THR OG1 : rot 150:sc= -0.0846 USER MOD Single : A 61 TYR OH : rot 155:sc= -3.42! USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0187) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.577 X(o=-0.58,f=-0.11) USER MOD Single : A 74 GLN : amide:sc= -0.893 K(o=-0.89,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.168 -12.051 -6.211 1.00 0.00 N ATOM 2 CA LEU A 1 4.149 -10.627 -6.649 1.00 0.00 C ATOM 3 C LEU A 1 4.507 -9.724 -5.464 1.00 0.00 C ATOM 4 O LEU A 1 3.757 -9.604 -4.515 1.00 0.00 O ATOM 5 CB LEU A 1 2.753 -10.269 -7.161 1.00 0.00 C ATOM 6 CG LEU A 1 2.871 -9.259 -8.303 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.207 -9.824 -9.559 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.176 -7.955 -7.903 1.00 0.00 C ATOM 0 H1 LEU A 1 3.925 -12.665 -7.015 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.118 -12.295 -5.864 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.475 -12.189 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 1 4.876 -10.483 -7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.240 -11.166 -7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.154 -9.851 -6.352 1.00 0.00 H new ATOM 0 HG LEU A 1 3.924 -9.065 -8.507 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.292 -9.102 -10.372 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.701 -10.753 -9.845 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.154 -10.020 -9.357 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.259 -7.234 -8.716 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.124 -8.151 -7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.650 -7.550 -7.009 1.00 0.00 H new ATOM 22 N GLN A 2 5.646 -9.092 -5.512 1.00 0.00 N ATOM 23 CA GLN A 2 6.054 -8.199 -4.390 1.00 0.00 C ATOM 24 C GLN A 2 5.569 -6.775 -4.663 1.00 0.00 C ATOM 25 O GLN A 2 5.423 -6.364 -5.797 1.00 0.00 O ATOM 26 CB GLN A 2 7.579 -8.199 -4.271 1.00 0.00 C ATOM 27 CG GLN A 2 8.048 -9.545 -3.717 1.00 0.00 C ATOM 28 CD GLN A 2 8.224 -10.533 -4.871 1.00 0.00 C ATOM 29 OE1 GLN A 2 7.327 -11.290 -5.180 1.00 0.00 O ATOM 30 NE2 GLN A 2 9.354 -10.557 -5.527 1.00 0.00 N ATOM 0 H GLN A 2 6.314 -9.155 -6.281 1.00 0.00 H new ATOM 0 HA GLN A 2 5.612 -8.561 -3.462 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.030 -8.018 -5.247 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.903 -7.391 -3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.989 -9.423 -3.181 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.321 -9.930 -3.001 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.108 -9.921 -5.268 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.482 -11.212 -6.299 1.00 0.00 H new ATOM 39 N CYS A 3 5.322 -6.018 -3.630 1.00 0.00 N ATOM 40 CA CYS A 3 4.851 -4.619 -3.826 1.00 0.00 C ATOM 41 C CYS A 3 5.423 -3.728 -2.721 1.00 0.00 C ATOM 42 O CYS A 3 5.917 -4.205 -1.720 1.00 0.00 O ATOM 43 CB CYS A 3 3.325 -4.582 -3.774 1.00 0.00 C ATOM 44 SG CYS A 3 2.649 -5.704 -5.023 1.00 0.00 S ATOM 0 H CYS A 3 5.426 -6.308 -2.658 1.00 0.00 H new ATOM 0 HA CYS A 3 5.189 -4.255 -4.796 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.977 -4.873 -2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.969 -3.567 -3.951 1.00 0.00 H new ATOM 49 N TYR A 4 5.362 -2.435 -2.896 1.00 0.00 N ATOM 50 CA TYR A 4 5.905 -1.515 -1.858 1.00 0.00 C ATOM 51 C TYR A 4 4.785 -1.110 -0.897 1.00 0.00 C ATOM 52 O TYR A 4 3.940 -0.299 -1.221 1.00 0.00 O ATOM 53 CB TYR A 4 6.477 -0.266 -2.533 1.00 0.00 C ATOM 54 CG TYR A 4 7.879 -0.548 -3.028 1.00 0.00 C ATOM 55 CD1 TYR A 4 8.298 -1.868 -3.243 1.00 0.00 C ATOM 56 CD2 TYR A 4 8.760 0.513 -3.271 1.00 0.00 C ATOM 57 CE1 TYR A 4 9.596 -2.125 -3.699 1.00 0.00 C ATOM 58 CE2 TYR A 4 10.058 0.255 -3.727 1.00 0.00 C ATOM 59 CZ TYR A 4 10.477 -1.063 -3.941 1.00 0.00 C ATOM 60 OH TYR A 4 11.756 -1.316 -4.390 1.00 0.00 O ATOM 0 H TYR A 4 4.959 -1.977 -3.714 1.00 0.00 H new ATOM 0 HA TYR A 4 6.694 -2.021 -1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.840 0.032 -3.366 1.00 0.00 H new ATOM 0 HB3 TYR A 4 6.491 0.566 -1.828 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.619 -2.687 -3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 4 8.438 1.531 -3.107 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.919 -3.142 -3.864 1.00 0.00 H new ATOM 0 HE2 TYR A 4 10.737 1.074 -3.914 1.00 0.00 H new ATOM 0 HH TYR A 4 12.235 -0.469 -4.508 1.00 0.00 H new ATOM 70 N ASN A 5 4.774 -1.666 0.284 1.00 0.00 N ATOM 71 CA ASN A 5 3.709 -1.312 1.263 1.00 0.00 C ATOM 72 C ASN A 5 4.231 -0.243 2.226 1.00 0.00 C ATOM 73 O ASN A 5 5.259 -0.407 2.854 1.00 0.00 O ATOM 74 CB ASN A 5 3.307 -2.559 2.052 1.00 0.00 C ATOM 75 CG ASN A 5 1.856 -2.427 2.515 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.023 -3.249 2.187 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.514 -1.418 3.270 1.00 0.00 N ATOM 0 H ASN A 5 5.456 -2.349 0.612 1.00 0.00 H new ATOM 0 HA ASN A 5 2.841 -0.924 0.730 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.422 -3.447 1.431 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.964 -2.685 2.913 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.548 -1.320 3.584 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.212 -0.728 3.546 1.00 0.00 H new ATOM 84 N CYS A 6 3.531 0.851 2.348 1.00 0.00 N ATOM 85 CA CYS A 6 3.986 1.928 3.270 1.00 0.00 C ATOM 86 C CYS A 6 2.761 2.604 3.901 1.00 0.00 C ATOM 87 O CYS A 6 1.789 2.871 3.222 1.00 0.00 O ATOM 88 CB CYS A 6 4.791 2.963 2.483 1.00 0.00 C ATOM 89 SG CYS A 6 5.903 2.115 1.336 1.00 0.00 S ATOM 0 H CYS A 6 2.663 1.045 1.849 1.00 0.00 H new ATOM 0 HA CYS A 6 4.612 1.501 4.054 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.118 3.622 1.934 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.364 3.590 3.166 1.00 0.00 H new ATOM 94 N PRO A 7 2.840 2.856 5.184 1.00 0.00 N ATOM 95 CA PRO A 7 1.747 3.496 5.935 1.00 0.00 C ATOM 96 C PRO A 7 1.731 5.011 5.699 1.00 0.00 C ATOM 97 O PRO A 7 0.824 5.702 6.118 1.00 0.00 O ATOM 98 CB PRO A 7 2.084 3.180 7.395 1.00 0.00 C ATOM 99 CG PRO A 7 3.604 2.888 7.439 1.00 0.00 C ATOM 100 CD PRO A 7 4.024 2.527 6.003 1.00 0.00 C ATOM 0 HA PRO A 7 0.762 3.137 5.636 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.831 4.019 8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.513 2.321 7.748 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.155 3.757 7.797 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.821 2.068 8.124 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.897 3.099 5.688 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.286 1.472 5.918 1.00 0.00 H new ATOM 108 N ASN A 8 2.727 5.536 5.037 1.00 0.00 N ATOM 109 CA ASN A 8 2.757 7.006 4.789 1.00 0.00 C ATOM 110 C ASN A 8 2.869 7.283 3.287 1.00 0.00 C ATOM 111 O ASN A 8 3.510 6.542 2.567 1.00 0.00 O ATOM 112 CB ASN A 8 3.961 7.617 5.509 1.00 0.00 C ATOM 113 CG ASN A 8 3.569 7.981 6.942 1.00 0.00 C ATOM 114 OD1 ASN A 8 2.467 7.700 7.372 1.00 0.00 O ATOM 115 ND2 ASN A 8 4.429 8.599 7.703 1.00 0.00 N ATOM 0 H ASN A 8 3.517 5.014 4.659 1.00 0.00 H new ATOM 0 HA ASN A 8 1.836 7.451 5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.791 6.910 5.516 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.303 8.505 4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.177 8.847 8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.353 8.834 7.341 1.00 0.00 H new ATOM 122 N PRO A 9 2.242 8.352 2.860 1.00 0.00 N ATOM 123 CA PRO A 9 2.252 8.766 1.448 1.00 0.00 C ATOM 124 C PRO A 9 3.575 9.450 1.114 1.00 0.00 C ATOM 125 O PRO A 9 3.680 10.660 1.102 1.00 0.00 O ATOM 126 CB PRO A 9 1.083 9.750 1.351 1.00 0.00 C ATOM 127 CG PRO A 9 0.838 10.276 2.786 1.00 0.00 C ATOM 128 CD PRO A 9 1.465 9.246 3.745 1.00 0.00 C ATOM 0 HA PRO A 9 2.153 7.934 0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.319 10.569 0.672 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.192 9.258 0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.292 11.258 2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.229 10.388 2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.104 9.728 4.485 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.701 8.696 4.294 1.00 0.00 H new ATOM 136 N THR A 10 4.586 8.678 0.850 1.00 0.00 N ATOM 137 CA THR A 10 5.914 9.269 0.522 1.00 0.00 C ATOM 138 C THR A 10 6.238 9.024 -0.954 1.00 0.00 C ATOM 139 O THR A 10 5.714 8.119 -1.572 1.00 0.00 O ATOM 140 CB THR A 10 6.991 8.620 1.394 1.00 0.00 C ATOM 141 OG1 THR A 10 8.275 8.977 0.902 1.00 0.00 O ATOM 142 CG2 THR A 10 6.832 7.099 1.356 1.00 0.00 C ATOM 0 H THR A 10 4.553 7.659 0.846 1.00 0.00 H new ATOM 0 HA THR A 10 5.887 10.342 0.713 1.00 0.00 H new ATOM 0 HB THR A 10 6.886 8.968 2.422 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.929 8.300 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.599 6.637 1.977 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.847 6.827 1.734 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.936 6.748 0.329 1.00 0.00 H new ATOM 150 N ALA A 11 7.102 9.821 -1.521 1.00 0.00 N ATOM 151 CA ALA A 11 7.463 9.631 -2.953 1.00 0.00 C ATOM 152 C ALA A 11 8.844 8.978 -3.043 1.00 0.00 C ATOM 153 O ALA A 11 9.622 9.267 -3.930 1.00 0.00 O ATOM 154 CB ALA A 11 7.491 10.989 -3.658 1.00 0.00 C ATOM 0 H ALA A 11 7.573 10.596 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 11 6.724 8.990 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.755 10.849 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.508 11.454 -3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.230 11.632 -3.180 1.00 0.00 H new ATOM 160 N ASP A 12 9.155 8.100 -2.129 1.00 0.00 N ATOM 161 CA ASP A 12 10.485 7.427 -2.159 1.00 0.00 C ATOM 162 C ASP A 12 10.501 6.282 -1.145 1.00 0.00 C ATOM 163 O ASP A 12 11.473 6.070 -0.447 1.00 0.00 O ATOM 164 CB ASP A 12 11.576 8.438 -1.801 1.00 0.00 C ATOM 165 CG ASP A 12 11.181 9.187 -0.528 1.00 0.00 C ATOM 166 OD1 ASP A 12 11.132 8.556 0.516 1.00 0.00 O ATOM 167 OD2 ASP A 12 10.934 10.378 -0.617 1.00 0.00 O ATOM 0 H ASP A 12 8.545 7.819 -1.362 1.00 0.00 H new ATOM 0 HA ASP A 12 10.669 7.031 -3.158 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.527 7.926 -1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.717 9.142 -2.621 1.00 0.00 H new ATOM 172 N CYS A 13 9.430 5.540 -1.058 1.00 0.00 N ATOM 173 CA CYS A 13 9.383 4.409 -0.089 1.00 0.00 C ATOM 174 C CYS A 13 10.376 3.327 -0.520 1.00 0.00 C ATOM 175 O CYS A 13 10.870 3.331 -1.630 1.00 0.00 O ATOM 176 CB CYS A 13 7.972 3.821 -0.061 1.00 0.00 C ATOM 177 SG CYS A 13 7.666 3.074 1.559 1.00 0.00 S ATOM 0 H CYS A 13 8.586 5.669 -1.616 1.00 0.00 H new ATOM 0 HA CYS A 13 9.647 4.771 0.905 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.237 4.601 -0.259 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.862 3.073 -0.846 1.00 0.00 H new ATOM 182 N LYS A 14 10.671 2.398 0.349 1.00 0.00 N ATOM 183 CA LYS A 14 11.630 1.317 -0.014 1.00 0.00 C ATOM 184 C LYS A 14 11.324 0.064 0.810 1.00 0.00 C ATOM 185 O LYS A 14 12.214 -0.619 1.276 1.00 0.00 O ATOM 186 CB LYS A 14 13.060 1.784 0.272 1.00 0.00 C ATOM 187 CG LYS A 14 13.134 2.381 1.679 1.00 0.00 C ATOM 188 CD LYS A 14 14.305 1.752 2.437 1.00 0.00 C ATOM 189 CE LYS A 14 13.769 0.860 3.556 1.00 0.00 C ATOM 190 NZ LYS A 14 14.880 0.508 4.486 1.00 0.00 N ATOM 0 H LYS A 14 10.290 2.341 1.293 1.00 0.00 H new ATOM 0 HA LYS A 14 11.531 1.085 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.751 0.946 0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.365 2.526 -0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.263 3.462 1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.201 2.199 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.921 1.166 1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.943 2.532 2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.976 1.375 4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.331 -0.046 3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.516 -0.099 5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.622 0.000 3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.278 1.377 4.896 1.00 0.00 H new ATOM 204 N THR A 15 10.068 -0.245 0.989 1.00 0.00 N ATOM 205 CA THR A 15 9.699 -1.453 1.779 1.00 0.00 C ATOM 206 C THR A 15 9.946 -2.707 0.939 1.00 0.00 C ATOM 207 O THR A 15 10.648 -3.611 1.345 1.00 0.00 O ATOM 208 CB THR A 15 8.217 -1.384 2.149 1.00 0.00 C ATOM 209 OG1 THR A 15 7.468 -1.003 1.003 1.00 0.00 O ATOM 210 CG2 THR A 15 8.011 -0.356 3.262 1.00 0.00 C ATOM 0 H THR A 15 9.280 0.289 0.621 1.00 0.00 H new ATOM 0 HA THR A 15 10.305 -1.492 2.685 1.00 0.00 H new ATOM 0 HB THR A 15 7.882 -2.360 2.499 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.043 -0.135 1.164 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.954 -0.309 3.523 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.589 -0.648 4.139 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.343 0.624 2.919 1.00 0.00 H new ATOM 218 N ALA A 16 9.373 -2.765 -0.232 1.00 0.00 N ATOM 219 CA ALA A 16 9.569 -3.954 -1.102 1.00 0.00 C ATOM 220 C ALA A 16 9.387 -5.230 -0.277 1.00 0.00 C ATOM 221 O ALA A 16 10.338 -5.809 0.210 1.00 0.00 O ATOM 222 CB ALA A 16 10.978 -3.915 -1.690 1.00 0.00 C ATOM 0 H ALA A 16 8.776 -2.036 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 16 8.836 -3.945 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.129 -4.784 -2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.102 -3.006 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.710 -3.927 -0.882 1.00 0.00 H new ATOM 228 N VAL A 17 8.168 -5.675 -0.118 1.00 0.00 N ATOM 229 CA VAL A 17 7.919 -6.913 0.675 1.00 0.00 C ATOM 230 C VAL A 17 6.843 -7.756 -0.015 1.00 0.00 C ATOM 231 O VAL A 17 5.953 -7.237 -0.659 1.00 0.00 O ATOM 232 CB VAL A 17 7.443 -6.534 2.078 1.00 0.00 C ATOM 233 CG1 VAL A 17 6.051 -5.904 1.992 1.00 0.00 C ATOM 234 CG2 VAL A 17 7.378 -7.790 2.949 1.00 0.00 C ATOM 0 H VAL A 17 7.334 -5.233 -0.504 1.00 0.00 H new ATOM 0 HA VAL A 17 8.842 -7.488 0.746 1.00 0.00 H new ATOM 0 HB VAL A 17 8.139 -5.820 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.712 -5.634 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.094 -5.010 1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.355 -6.619 1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.039 -7.522 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.681 -8.503 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.368 -8.242 3.010 1.00 0.00 H new ATOM 244 N ASN A 18 6.916 -9.052 0.117 1.00 0.00 N ATOM 245 CA ASN A 18 5.897 -9.925 -0.529 1.00 0.00 C ATOM 246 C ASN A 18 4.511 -9.574 0.015 1.00 0.00 C ATOM 247 O ASN A 18 4.267 -9.633 1.203 1.00 0.00 O ATOM 248 CB ASN A 18 6.207 -11.391 -0.220 1.00 0.00 C ATOM 249 CG ASN A 18 7.000 -12.002 -1.376 1.00 0.00 C ATOM 250 OD1 ASN A 18 6.444 -12.416 -2.373 1.00 0.00 O ATOM 251 ND2 ASN A 18 8.298 -12.059 -1.250 1.00 0.00 N ATOM 0 H ASN A 18 7.637 -9.544 0.644 1.00 0.00 H new ATOM 0 HA ASN A 18 5.918 -9.770 -1.608 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.778 -11.465 0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.281 -11.945 -0.068 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.866 -12.457 -1.998 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.744 -11.705 -0.404 1.00 0.00 H new ATOM 257 N CYS A 19 3.600 -9.209 -0.845 1.00 0.00 N ATOM 258 CA CYS A 19 2.233 -8.854 -0.373 1.00 0.00 C ATOM 259 C CYS A 19 1.663 -10.007 0.455 1.00 0.00 C ATOM 260 O CYS A 19 2.251 -11.066 0.552 1.00 0.00 O ATOM 261 CB CYS A 19 1.328 -8.598 -1.580 1.00 0.00 C ATOM 262 SG CYS A 19 1.698 -6.968 -2.276 1.00 0.00 S ATOM 0 H CYS A 19 3.743 -9.141 -1.853 1.00 0.00 H new ATOM 0 HA CYS A 19 2.283 -7.955 0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.481 -9.370 -2.334 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.281 -8.648 -1.280 1.00 0.00 H new ATOM 267 N SER A 20 0.520 -9.810 1.054 1.00 0.00 N ATOM 268 CA SER A 20 -0.091 -10.893 1.875 1.00 0.00 C ATOM 269 C SER A 20 -0.920 -11.806 0.970 1.00 0.00 C ATOM 270 O SER A 20 -0.705 -11.874 -0.223 1.00 0.00 O ATOM 271 CB SER A 20 -0.994 -10.276 2.943 1.00 0.00 C ATOM 272 OG SER A 20 -0.865 -11.013 4.152 1.00 0.00 O ATOM 0 H SER A 20 -0.018 -8.944 1.010 1.00 0.00 H new ATOM 0 HA SER A 20 0.695 -11.473 2.358 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.721 -9.234 3.108 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.031 -10.284 2.608 1.00 0.00 H new ATOM 0 HG SER A 20 -1.442 -10.618 4.839 1.00 0.00 H new ATOM 278 N SER A 21 -1.868 -12.509 1.527 1.00 0.00 N ATOM 279 CA SER A 21 -2.709 -13.415 0.696 1.00 0.00 C ATOM 280 C SER A 21 -3.772 -12.592 -0.038 1.00 0.00 C ATOM 281 O SER A 21 -4.118 -11.502 0.371 1.00 0.00 O ATOM 282 CB SER A 21 -3.394 -14.446 1.595 1.00 0.00 C ATOM 283 OG SER A 21 -4.399 -13.803 2.366 1.00 0.00 O ATOM 0 H SER A 21 -2.096 -12.495 2.521 1.00 0.00 H new ATOM 0 HA SER A 21 -2.080 -13.929 -0.030 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.835 -15.238 0.989 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.662 -14.917 2.251 1.00 0.00 H new ATOM 0 HG SER A 21 -4.841 -14.461 2.942 1.00 0.00 H new ATOM 289 N ASP A 22 -4.291 -13.107 -1.119 1.00 0.00 N ATOM 290 CA ASP A 22 -5.331 -12.356 -1.880 1.00 0.00 C ATOM 291 C ASP A 22 -4.730 -11.060 -2.430 1.00 0.00 C ATOM 292 O ASP A 22 -5.332 -10.007 -2.360 1.00 0.00 O ATOM 293 CB ASP A 22 -6.503 -12.023 -0.954 1.00 0.00 C ATOM 294 CG ASP A 22 -7.683 -12.943 -1.274 1.00 0.00 C ATOM 295 OD1 ASP A 22 -7.527 -13.799 -2.129 1.00 0.00 O ATOM 296 OD2 ASP A 22 -8.724 -12.776 -0.659 1.00 0.00 O ATOM 0 H ASP A 22 -4.040 -14.016 -1.509 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.686 -12.970 -2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.204 -12.146 0.087 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.796 -10.981 -1.081 1.00 0.00 H new ATOM 301 N PHE A 23 -3.548 -11.130 -2.979 1.00 0.00 N ATOM 302 CA PHE A 23 -2.910 -9.902 -3.535 1.00 0.00 C ATOM 303 C PHE A 23 -2.017 -10.284 -4.718 1.00 0.00 C ATOM 304 O PHE A 23 -1.166 -11.146 -4.613 1.00 0.00 O ATOM 305 CB PHE A 23 -2.059 -9.232 -2.455 1.00 0.00 C ATOM 306 CG PHE A 23 -2.956 -8.687 -1.369 1.00 0.00 C ATOM 307 CD1 PHE A 23 -3.953 -7.754 -1.684 1.00 0.00 C ATOM 308 CD2 PHE A 23 -2.790 -9.114 -0.047 1.00 0.00 C ATOM 309 CE1 PHE A 23 -4.784 -7.251 -0.675 1.00 0.00 C ATOM 310 CE2 PHE A 23 -3.621 -8.611 0.962 1.00 0.00 C ATOM 311 CZ PHE A 23 -4.617 -7.679 0.648 1.00 0.00 C ATOM 0 H PHE A 23 -2.997 -11.984 -3.067 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.685 -9.211 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.356 -9.951 -2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.468 -8.426 -2.891 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.081 -7.423 -2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.021 -9.832 0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.554 -6.533 -0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.493 -8.942 1.982 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.257 -7.290 1.426 1.00 0.00 H new ATOM 321 N ASP A 24 -2.203 -9.653 -5.846 1.00 0.00 N ATOM 322 CA ASP A 24 -1.360 -9.988 -7.032 1.00 0.00 C ATOM 323 C ASP A 24 -1.151 -8.739 -7.897 1.00 0.00 C ATOM 324 O ASP A 24 -0.670 -8.821 -9.009 1.00 0.00 O ATOM 325 CB ASP A 24 -2.051 -11.074 -7.865 1.00 0.00 C ATOM 326 CG ASP A 24 -3.568 -10.989 -7.675 1.00 0.00 C ATOM 327 OD1 ASP A 24 -4.177 -10.139 -8.303 1.00 0.00 O ATOM 328 OD2 ASP A 24 -4.094 -11.775 -6.905 1.00 0.00 O ATOM 0 H ASP A 24 -2.899 -8.923 -5.998 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.392 -10.352 -6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.800 -10.951 -8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.693 -12.059 -7.564 1.00 0.00 H new ATOM 333 N ALA A 25 -1.502 -7.584 -7.397 1.00 0.00 N ATOM 334 CA ALA A 25 -1.314 -6.339 -8.196 1.00 0.00 C ATOM 335 C ALA A 25 -0.809 -5.222 -7.283 1.00 0.00 C ATOM 336 O ALA A 25 -1.497 -4.787 -6.383 1.00 0.00 O ATOM 337 CB ALA A 25 -2.647 -5.913 -8.817 1.00 0.00 C ATOM 0 H ALA A 25 -1.910 -7.449 -6.472 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.589 -6.528 -8.988 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.503 -5.003 -9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.015 -6.706 -9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.374 -5.726 -8.026 1.00 0.00 H new ATOM 343 N CYS A 26 0.379 -4.739 -7.510 1.00 0.00 N ATOM 344 CA CYS A 26 0.894 -3.641 -6.650 1.00 0.00 C ATOM 345 C CYS A 26 0.086 -2.386 -6.949 1.00 0.00 C ATOM 346 O CYS A 26 -0.474 -2.240 -8.016 1.00 0.00 O ATOM 347 CB CYS A 26 2.371 -3.390 -6.954 1.00 0.00 C ATOM 348 SG CYS A 26 3.296 -4.937 -6.777 1.00 0.00 S ATOM 0 H CYS A 26 1.010 -5.054 -8.247 1.00 0.00 H new ATOM 0 HA CYS A 26 0.798 -3.911 -5.598 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.484 -3.000 -7.966 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.770 -2.636 -6.276 1.00 0.00 H new ATOM 353 N LEU A 27 -0.002 -1.485 -6.018 1.00 0.00 N ATOM 354 CA LEU A 27 -0.802 -0.258 -6.268 1.00 0.00 C ATOM 355 C LEU A 27 0.060 0.988 -6.093 1.00 0.00 C ATOM 356 O LEU A 27 0.608 1.241 -5.039 1.00 0.00 O ATOM 357 CB LEU A 27 -1.969 -0.216 -5.286 1.00 0.00 C ATOM 358 CG LEU A 27 -2.724 1.103 -5.426 1.00 0.00 C ATOM 359 CD1 LEU A 27 -3.795 0.956 -6.508 1.00 0.00 C ATOM 360 CD2 LEU A 27 -3.385 1.443 -4.089 1.00 0.00 C ATOM 0 H LEU A 27 0.441 -1.542 -5.101 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.176 -0.279 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.643 -1.052 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.601 -0.327 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.035 1.900 -5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.338 1.895 -6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.322 0.703 -7.457 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.490 0.165 -6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.927 2.384 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.080 0.649 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.620 1.538 -3.319 1.00 0.00 H new ATOM 372 N ILE A 28 0.163 1.779 -7.123 1.00 0.00 N ATOM 373 CA ILE A 28 0.963 3.027 -7.030 1.00 0.00 C ATOM 374 C ILE A 28 0.035 4.211 -7.301 1.00 0.00 C ATOM 375 O ILE A 28 -0.094 4.675 -8.416 1.00 0.00 O ATOM 376 CB ILE A 28 2.091 2.998 -8.064 1.00 0.00 C ATOM 377 CG1 ILE A 28 2.824 4.342 -8.057 1.00 0.00 C ATOM 378 CG2 ILE A 28 1.504 2.745 -9.453 1.00 0.00 C ATOM 379 CD1 ILE A 28 4.181 4.189 -8.747 1.00 0.00 C ATOM 0 H ILE A 28 -0.275 1.613 -8.029 1.00 0.00 H new ATOM 0 HA ILE A 28 1.406 3.119 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 28 2.791 2.201 -7.815 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.227 5.096 -8.570 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.962 4.687 -7.032 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.307 2.724 -10.189 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.982 1.788 -9.459 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.803 3.542 -9.703 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.702 5.146 -8.741 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.778 3.448 -8.215 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.031 3.863 -9.776 1.00 0.00 H new ATOM 391 N THR A 29 -0.630 4.687 -6.284 1.00 0.00 N ATOM 392 CA THR A 29 -1.571 5.827 -6.469 1.00 0.00 C ATOM 393 C THR A 29 -0.892 7.127 -6.036 1.00 0.00 C ATOM 394 O THR A 29 -0.349 7.228 -4.955 1.00 0.00 O ATOM 395 CB THR A 29 -2.819 5.586 -5.614 1.00 0.00 C ATOM 396 OG1 THR A 29 -3.608 4.568 -6.212 1.00 0.00 O ATOM 397 CG2 THR A 29 -3.636 6.875 -5.516 1.00 0.00 C ATOM 0 H THR A 29 -0.561 4.334 -5.330 1.00 0.00 H new ATOM 0 HA THR A 29 -1.855 5.906 -7.518 1.00 0.00 H new ATOM 0 HB THR A 29 -2.518 5.276 -4.613 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.407 4.410 -5.666 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.523 6.698 -4.907 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.030 7.656 -5.057 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.939 7.191 -6.514 1.00 0.00 H new ATOM 405 N LYS A 30 -0.919 8.127 -6.875 1.00 0.00 N ATOM 406 CA LYS A 30 -0.277 9.421 -6.512 1.00 0.00 C ATOM 407 C LYS A 30 -1.329 10.530 -6.526 1.00 0.00 C ATOM 408 O LYS A 30 -1.544 11.185 -7.527 1.00 0.00 O ATOM 409 CB LYS A 30 0.825 9.745 -7.522 1.00 0.00 C ATOM 410 CG LYS A 30 1.472 11.085 -7.164 1.00 0.00 C ATOM 411 CD LYS A 30 1.743 11.881 -8.441 1.00 0.00 C ATOM 412 CE LYS A 30 2.994 12.741 -8.252 1.00 0.00 C ATOM 413 NZ LYS A 30 2.658 14.169 -8.511 1.00 0.00 N ATOM 0 H LYS A 30 -1.358 8.103 -7.795 1.00 0.00 H new ATOM 0 HA LYS A 30 0.158 9.346 -5.515 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.576 8.955 -7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.409 9.788 -8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.817 11.652 -6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.403 10.918 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.879 11.202 -9.283 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.887 12.513 -8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.379 12.625 -7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.781 12.412 -8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.508 14.754 -8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.310 14.273 -9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.921 14.478 -7.846 1.00 0.00 H new ATOM 427 N ALA A 31 -1.987 10.746 -5.421 1.00 0.00 N ATOM 428 CA ALA A 31 -3.026 11.811 -5.365 1.00 0.00 C ATOM 429 C ALA A 31 -2.417 13.140 -5.816 1.00 0.00 C ATOM 430 O ALA A 31 -1.321 13.186 -6.338 1.00 0.00 O ATOM 431 CB ALA A 31 -3.537 11.948 -3.929 1.00 0.00 C ATOM 0 H ALA A 31 -1.849 10.229 -4.552 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.854 11.547 -6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.298 12.727 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.969 11.001 -3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.709 12.213 -3.272 1.00 0.00 H new ATOM 437 N GLY A 32 -3.118 14.223 -5.618 1.00 0.00 N ATOM 438 CA GLY A 32 -2.575 15.546 -6.034 1.00 0.00 C ATOM 439 C GLY A 32 -1.110 15.649 -5.608 1.00 0.00 C ATOM 440 O GLY A 32 -0.281 16.185 -6.317 1.00 0.00 O ATOM 0 H GLY A 32 -4.042 14.248 -5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.660 15.663 -7.114 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.155 16.349 -5.579 1.00 0.00 H new ATOM 444 N LEU A 33 -0.784 15.139 -4.451 1.00 0.00 N ATOM 445 CA LEU A 33 0.626 15.205 -3.976 1.00 0.00 C ATOM 446 C LEU A 33 0.823 14.208 -2.832 1.00 0.00 C ATOM 447 O LEU A 33 1.495 14.490 -1.860 1.00 0.00 O ATOM 448 CB LEU A 33 0.931 16.619 -3.478 1.00 0.00 C ATOM 449 CG LEU A 33 2.421 16.913 -3.657 1.00 0.00 C ATOM 450 CD1 LEU A 33 2.761 16.949 -5.149 1.00 0.00 C ATOM 451 CD2 LEU A 33 2.750 18.268 -3.027 1.00 0.00 C ATOM 0 H LEU A 33 -1.435 14.679 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 33 1.299 14.956 -4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.337 17.347 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.654 16.714 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 33 3.006 16.132 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.823 17.159 -5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.525 15.985 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.177 17.729 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.812 18.480 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.164 19.048 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.509 18.243 -1.964 1.00 0.00 H new ATOM 463 N GLN A 34 0.241 13.046 -2.938 1.00 0.00 N ATOM 464 CA GLN A 34 0.396 12.037 -1.854 1.00 0.00 C ATOM 465 C GLN A 34 0.469 10.635 -2.463 1.00 0.00 C ATOM 466 O GLN A 34 -0.536 10.041 -2.800 1.00 0.00 O ATOM 467 CB GLN A 34 -0.803 12.119 -0.906 1.00 0.00 C ATOM 468 CG GLN A 34 -0.348 12.673 0.445 1.00 0.00 C ATOM 469 CD GLN A 34 -1.335 13.741 0.918 1.00 0.00 C ATOM 470 OE1 GLN A 34 -0.960 14.875 1.144 1.00 0.00 O ATOM 471 NE2 GLN A 34 -2.590 13.426 1.079 1.00 0.00 N ATOM 0 H GLN A 34 -0.334 12.752 -3.727 1.00 0.00 H new ATOM 0 HA GLN A 34 1.313 12.239 -1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.574 12.760 -1.333 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.245 11.131 -0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.288 11.869 1.178 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.651 13.100 0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.905 12.475 0.890 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.256 14.131 1.394 1.00 0.00 H new ATOM 480 N VAL A 35 1.651 10.100 -2.605 1.00 0.00 N ATOM 481 CA VAL A 35 1.787 8.737 -3.188 1.00 0.00 C ATOM 482 C VAL A 35 1.123 7.719 -2.259 1.00 0.00 C ATOM 483 O VAL A 35 0.860 7.998 -1.105 1.00 0.00 O ATOM 484 CB VAL A 35 3.269 8.396 -3.346 1.00 0.00 C ATOM 485 CG1 VAL A 35 3.414 7.122 -4.180 1.00 0.00 C ATOM 486 CG2 VAL A 35 3.984 9.550 -4.052 1.00 0.00 C ATOM 0 H VAL A 35 2.528 10.549 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 35 1.303 8.707 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 35 3.712 8.239 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.471 6.879 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.904 6.299 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.971 7.279 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.041 9.308 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.540 9.706 -5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.881 10.459 -3.459 1.00 0.00 H new ATOM 496 N TYR A 36 0.848 6.540 -2.748 1.00 0.00 N ATOM 497 CA TYR A 36 0.199 5.513 -1.886 1.00 0.00 C ATOM 498 C TYR A 36 0.667 4.119 -2.305 1.00 0.00 C ATOM 499 O TYR A 36 0.036 3.453 -3.101 1.00 0.00 O ATOM 500 CB TYR A 36 -1.319 5.608 -2.033 1.00 0.00 C ATOM 501 CG TYR A 36 -1.825 6.804 -1.266 1.00 0.00 C ATOM 502 CD1 TYR A 36 -1.991 6.724 0.123 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.125 7.992 -1.940 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.459 7.835 0.835 1.00 0.00 C ATOM 505 CE2 TYR A 36 -2.594 9.102 -1.228 1.00 0.00 C ATOM 506 CZ TYR A 36 -2.760 9.024 0.160 1.00 0.00 C ATOM 507 OH TYR A 36 -3.222 10.119 0.862 1.00 0.00 O ATOM 0 H TYR A 36 1.044 6.245 -3.704 1.00 0.00 H new ATOM 0 HA TYR A 36 0.475 5.688 -0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.588 5.697 -3.085 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.789 4.698 -1.660 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.758 5.807 0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.995 8.053 -3.010 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.588 7.775 1.906 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.828 10.019 -1.749 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.854 10.104 1.770 1.00 0.00 H new ATOM 517 N ASN A 37 1.768 3.672 -1.768 1.00 0.00 N ATOM 518 CA ASN A 37 2.277 2.320 -2.125 1.00 0.00 C ATOM 519 C ASN A 37 1.601 1.278 -1.233 1.00 0.00 C ATOM 520 O ASN A 37 1.850 1.210 -0.046 1.00 0.00 O ATOM 521 CB ASN A 37 3.791 2.272 -1.909 1.00 0.00 C ATOM 522 CG ASN A 37 4.396 3.640 -2.233 1.00 0.00 C ATOM 523 OD1 ASN A 37 4.092 4.224 -3.255 1.00 0.00 O ATOM 524 ND2 ASN A 37 5.245 4.178 -1.401 1.00 0.00 N ATOM 0 H ASN A 37 2.338 4.186 -1.096 1.00 0.00 H new ATOM 0 HA ASN A 37 2.054 2.108 -3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.013 1.999 -0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.236 1.506 -2.544 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.654 5.089 -1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.500 3.687 -0.544 1.00 0.00 H new ATOM 531 N LYS A 38 0.743 0.469 -1.789 1.00 0.00 N ATOM 532 CA LYS A 38 0.051 -0.559 -0.960 1.00 0.00 C ATOM 533 C LYS A 38 -0.292 -1.775 -1.820 1.00 0.00 C ATOM 534 O LYS A 38 -0.450 -1.680 -3.021 1.00 0.00 O ATOM 535 CB LYS A 38 -1.236 0.036 -0.384 1.00 0.00 C ATOM 536 CG LYS A 38 -1.350 -0.328 1.097 1.00 0.00 C ATOM 537 CD LYS A 38 -2.604 0.322 1.686 1.00 0.00 C ATOM 538 CE LYS A 38 -2.230 1.652 2.342 1.00 0.00 C ATOM 539 NZ LYS A 38 -2.139 1.469 3.820 1.00 0.00 N ATOM 0 H LYS A 38 0.491 0.474 -2.777 1.00 0.00 H new ATOM 0 HA LYS A 38 0.709 -0.868 -0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.233 1.119 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.100 -0.343 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.399 -1.411 1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.465 0.011 1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.343 0.486 0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.060 -0.342 2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.278 2.008 1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.976 2.410 2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.885 2.373 4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.057 1.148 4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.411 0.759 4.038 1.00 0.00 H new ATOM 553 N CYS A 39 -0.417 -2.919 -1.206 1.00 0.00 N ATOM 554 CA CYS A 39 -0.762 -4.150 -1.973 1.00 0.00 C ATOM 555 C CYS A 39 -2.219 -4.054 -2.419 1.00 0.00 C ATOM 556 O CYS A 39 -3.085 -3.689 -1.650 1.00 0.00 O ATOM 557 CB CYS A 39 -0.581 -5.379 -1.081 1.00 0.00 C ATOM 558 SG CYS A 39 1.185 -5.674 -0.811 1.00 0.00 S ATOM 0 H CYS A 39 -0.295 -3.055 -0.203 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.110 -4.242 -2.842 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.085 -5.226 -0.127 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.039 -6.251 -1.548 1.00 0.00 H new ATOM 563 N TRP A 40 -2.501 -4.348 -3.657 1.00 0.00 N ATOM 564 CA TRP A 40 -3.902 -4.237 -4.131 1.00 0.00 C ATOM 565 C TRP A 40 -4.212 -5.359 -5.126 1.00 0.00 C ATOM 566 O TRP A 40 -3.324 -5.996 -5.655 1.00 0.00 O ATOM 567 CB TRP A 40 -4.054 -2.880 -4.807 1.00 0.00 C ATOM 568 CG TRP A 40 -5.432 -2.361 -4.603 1.00 0.00 C ATOM 569 CD1 TRP A 40 -6.514 -2.771 -5.290 1.00 0.00 C ATOM 570 CD2 TRP A 40 -5.893 -1.343 -3.669 1.00 0.00 C ATOM 571 NE1 TRP A 40 -7.618 -2.068 -4.842 1.00 0.00 N ATOM 572 CE2 TRP A 40 -7.286 -1.177 -3.840 1.00 0.00 C ATOM 573 CE3 TRP A 40 -5.244 -0.558 -2.700 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -8.012 -0.260 -3.076 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -5.970 0.364 -1.929 1.00 0.00 C ATOM 576 CH2 TRP A 40 -7.351 0.512 -2.117 1.00 0.00 C ATOM 0 H TRP A 40 -1.825 -4.658 -4.355 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.596 -4.327 -3.295 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.328 -2.178 -4.398 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.845 -2.970 -5.873 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.520 -3.525 -6.064 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -8.562 -2.192 -5.207 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.180 -0.665 -2.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -9.076 -0.149 -3.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.462 0.962 -1.187 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -7.904 1.223 -1.521 1.00 0.00 H new ATOM 587 N LYS A 41 -5.468 -5.609 -5.385 1.00 0.00 N ATOM 588 CA LYS A 41 -5.828 -6.690 -6.346 1.00 0.00 C ATOM 589 C LYS A 41 -6.223 -6.062 -7.685 1.00 0.00 C ATOM 590 O LYS A 41 -6.436 -4.871 -7.781 1.00 0.00 O ATOM 591 CB LYS A 41 -7.001 -7.502 -5.791 1.00 0.00 C ATOM 592 CG LYS A 41 -6.559 -8.951 -5.576 1.00 0.00 C ATOM 593 CD LYS A 41 -7.351 -9.563 -4.419 1.00 0.00 C ATOM 594 CE LYS A 41 -7.246 -11.088 -4.479 1.00 0.00 C ATOM 595 NZ LYS A 41 -8.383 -11.635 -5.272 1.00 0.00 N ATOM 0 H LYS A 41 -6.258 -5.112 -4.973 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.973 -7.351 -6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.343 -7.071 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.843 -7.466 -6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.719 -9.529 -6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.491 -8.988 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.965 -9.198 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.396 -9.257 -4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.299 -11.380 -4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.258 -11.504 -3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.311 -12.672 -5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.281 -11.368 -4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.351 -11.248 -6.237 1.00 0.00 H new ATOM 609 N PHE A 42 -6.320 -6.850 -8.721 1.00 0.00 N ATOM 610 CA PHE A 42 -6.696 -6.290 -10.049 1.00 0.00 C ATOM 611 C PHE A 42 -8.209 -6.094 -10.112 1.00 0.00 C ATOM 612 O PHE A 42 -8.706 -5.271 -10.854 1.00 0.00 O ATOM 613 CB PHE A 42 -6.261 -7.257 -11.152 1.00 0.00 C ATOM 614 CG PHE A 42 -6.233 -6.531 -12.477 1.00 0.00 C ATOM 615 CD1 PHE A 42 -5.488 -5.354 -12.613 1.00 0.00 C ATOM 616 CD2 PHE A 42 -6.950 -7.037 -13.568 1.00 0.00 C ATOM 617 CE1 PHE A 42 -5.461 -4.681 -13.841 1.00 0.00 C ATOM 618 CE2 PHE A 42 -6.923 -6.364 -14.795 1.00 0.00 C ATOM 619 CZ PHE A 42 -6.178 -5.186 -14.932 1.00 0.00 C ATOM 0 H PHE A 42 -6.155 -7.856 -8.705 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.200 -5.330 -10.190 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.275 -7.662 -10.927 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.949 -8.101 -11.202 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.934 -4.965 -11.771 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.524 -7.946 -13.463 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.887 -3.772 -13.946 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.477 -6.753 -15.636 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.157 -4.667 -15.879 1.00 0.00 H new ATOM 629 N GLU A 43 -8.947 -6.844 -9.343 1.00 0.00 N ATOM 630 CA GLU A 43 -10.427 -6.697 -9.371 1.00 0.00 C ATOM 631 C GLU A 43 -10.823 -5.391 -8.677 1.00 0.00 C ATOM 632 O GLU A 43 -11.795 -4.758 -9.037 1.00 0.00 O ATOM 633 CB GLU A 43 -11.076 -7.881 -8.650 1.00 0.00 C ATOM 634 CG GLU A 43 -12.518 -8.044 -9.134 1.00 0.00 C ATOM 635 CD GLU A 43 -12.679 -9.405 -9.813 1.00 0.00 C ATOM 636 OE1 GLU A 43 -12.534 -10.407 -9.132 1.00 0.00 O ATOM 637 OE2 GLU A 43 -12.946 -9.424 -11.005 1.00 0.00 O ATOM 0 H GLU A 43 -8.590 -7.550 -8.699 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.770 -6.676 -10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.511 -8.793 -8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.059 -7.718 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.206 -7.962 -8.293 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.771 -7.246 -9.832 1.00 0.00 H new ATOM 644 N HIS A 44 -10.076 -4.981 -7.691 1.00 0.00 N ATOM 645 CA HIS A 44 -10.409 -3.715 -6.981 1.00 0.00 C ATOM 646 C HIS A 44 -9.581 -2.572 -7.569 1.00 0.00 C ATOM 647 O HIS A 44 -9.423 -1.531 -6.962 1.00 0.00 O ATOM 648 CB HIS A 44 -10.092 -3.862 -5.492 1.00 0.00 C ATOM 649 CG HIS A 44 -11.014 -4.874 -4.872 1.00 0.00 C ATOM 650 ND1 HIS A 44 -11.397 -4.804 -3.541 1.00 0.00 N ATOM 651 CD2 HIS A 44 -11.636 -5.986 -5.382 1.00 0.00 C ATOM 652 CE1 HIS A 44 -12.213 -5.845 -3.298 1.00 0.00 C ATOM 653 NE2 HIS A 44 -12.393 -6.598 -4.387 1.00 0.00 N ATOM 0 H HIS A 44 -9.249 -5.468 -7.346 1.00 0.00 H new ATOM 0 HA HIS A 44 -11.470 -3.498 -7.103 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.055 -4.172 -5.361 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.203 -2.900 -4.991 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.551 -6.334 -6.401 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.667 -6.048 -2.339 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -12.963 -7.440 -4.471 1.00 0.00 H new ATOM 661 N CYS A 45 -9.051 -2.755 -8.747 1.00 0.00 N ATOM 662 CA CYS A 45 -8.234 -1.675 -9.366 1.00 0.00 C ATOM 663 C CYS A 45 -9.059 -0.956 -10.434 1.00 0.00 C ATOM 664 O CYS A 45 -8.871 -1.155 -11.617 1.00 0.00 O ATOM 665 CB CYS A 45 -6.983 -2.280 -10.003 1.00 0.00 C ATOM 666 SG CYS A 45 -5.683 -2.429 -8.752 1.00 0.00 S ATOM 0 H CYS A 45 -9.148 -3.603 -9.306 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.938 -0.960 -8.598 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.213 -3.259 -10.423 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.641 -1.653 -10.826 1.00 0.00 H new ATOM 671 N ASN A 46 -9.971 -0.117 -10.023 1.00 0.00 N ATOM 672 CA ASN A 46 -10.808 0.621 -11.011 1.00 0.00 C ATOM 673 C ASN A 46 -10.939 2.079 -10.569 1.00 0.00 C ATOM 674 O ASN A 46 -10.241 2.532 -9.683 1.00 0.00 O ATOM 675 CB ASN A 46 -12.197 -0.016 -11.083 1.00 0.00 C ATOM 676 CG ASN A 46 -12.063 -1.538 -11.028 1.00 0.00 C ATOM 677 OD1 ASN A 46 -11.266 -2.116 -11.739 1.00 0.00 O ATOM 678 ND2 ASN A 46 -12.814 -2.218 -10.205 1.00 0.00 N ATOM 0 H ASN A 46 -10.172 0.089 -9.045 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.339 0.575 -11.994 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.813 0.336 -10.256 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -12.699 0.283 -12.004 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.731 -3.234 -10.160 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.484 -1.734 -9.607 1.00 0.00 H new ATOM 685 N PHE A 47 -11.824 2.820 -11.175 1.00 0.00 N ATOM 686 CA PHE A 47 -11.993 4.246 -10.781 1.00 0.00 C ATOM 687 C PHE A 47 -13.089 4.357 -9.721 1.00 0.00 C ATOM 688 O PHE A 47 -13.979 5.179 -9.816 1.00 0.00 O ATOM 689 CB PHE A 47 -12.375 5.078 -12.005 1.00 0.00 C ATOM 690 CG PHE A 47 -11.357 6.174 -12.192 1.00 0.00 C ATOM 691 CD1 PHE A 47 -10.993 6.979 -11.106 1.00 0.00 C ATOM 692 CD2 PHE A 47 -10.774 6.386 -13.447 1.00 0.00 C ATOM 693 CE1 PHE A 47 -10.046 7.995 -11.274 1.00 0.00 C ATOM 694 CE2 PHE A 47 -9.827 7.400 -13.615 1.00 0.00 C ATOM 695 CZ PHE A 47 -9.462 8.207 -12.530 1.00 0.00 C ATOM 0 H PHE A 47 -12.437 2.500 -11.925 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.055 4.621 -10.372 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.415 4.446 -12.892 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -13.369 5.506 -11.874 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.443 6.816 -10.138 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.056 5.766 -14.285 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.765 8.616 -10.436 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.376 7.562 -14.583 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.731 8.992 -12.661 1.00 0.00 H new ATOM 705 N ASN A 48 -13.029 3.534 -8.712 1.00 0.00 N ATOM 706 CA ASN A 48 -14.062 3.587 -7.641 1.00 0.00 C ATOM 707 C ASN A 48 -13.676 2.619 -6.520 1.00 0.00 C ATOM 708 O ASN A 48 -13.840 2.912 -5.352 1.00 0.00 O ATOM 709 CB ASN A 48 -15.422 3.191 -8.220 1.00 0.00 C ATOM 710 CG ASN A 48 -16.524 3.997 -7.529 1.00 0.00 C ATOM 711 OD1 ASN A 48 -16.518 5.212 -7.564 1.00 0.00 O ATOM 712 ND2 ASN A 48 -17.479 3.368 -6.900 1.00 0.00 N ATOM 0 H ASN A 48 -12.307 2.825 -8.583 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.125 4.599 -7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.440 3.376 -9.294 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.593 2.124 -8.078 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.220 3.896 -6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.485 2.348 -6.870 1.00 0.00 H new ATOM 719 N ASP A 49 -13.160 1.468 -6.863 1.00 0.00 N ATOM 720 CA ASP A 49 -12.762 0.491 -5.813 1.00 0.00 C ATOM 721 C ASP A 49 -11.511 1.002 -5.094 1.00 0.00 C ATOM 722 O ASP A 49 -11.115 0.482 -4.070 1.00 0.00 O ATOM 723 CB ASP A 49 -12.462 -0.863 -6.463 1.00 0.00 C ATOM 724 CG ASP A 49 -13.776 -1.576 -6.784 1.00 0.00 C ATOM 725 OD1 ASP A 49 -14.564 -1.019 -7.530 1.00 0.00 O ATOM 726 OD2 ASP A 49 -13.973 -2.668 -6.276 1.00 0.00 O ATOM 0 H ASP A 49 -12.998 1.165 -7.823 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.574 0.375 -5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.881 -0.720 -7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.858 -1.475 -5.793 1.00 0.00 H new ATOM 731 N VAL A 50 -10.886 2.019 -5.624 1.00 0.00 N ATOM 732 CA VAL A 50 -9.662 2.565 -4.971 1.00 0.00 C ATOM 733 C VAL A 50 -9.928 4.001 -4.512 1.00 0.00 C ATOM 734 O VAL A 50 -9.442 4.434 -3.486 1.00 0.00 O ATOM 735 CB VAL A 50 -8.505 2.556 -5.970 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.293 3.253 -5.352 1.00 0.00 C ATOM 737 CG2 VAL A 50 -8.139 1.111 -6.312 1.00 0.00 C ATOM 0 H VAL A 50 -11.170 2.495 -6.480 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.403 1.949 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.804 3.081 -6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.468 3.247 -6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.552 4.283 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.994 2.727 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.314 1.103 -7.024 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.840 0.587 -5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.002 0.611 -6.751 1.00 0.00 H new ATOM 747 N THR A 51 -10.694 4.744 -5.264 1.00 0.00 N ATOM 748 CA THR A 51 -10.988 6.150 -4.868 1.00 0.00 C ATOM 749 C THR A 51 -11.860 6.153 -3.612 1.00 0.00 C ATOM 750 O THR A 51 -11.830 7.078 -2.826 1.00 0.00 O ATOM 751 CB THR A 51 -11.731 6.857 -6.005 1.00 0.00 C ATOM 752 OG1 THR A 51 -12.322 5.886 -6.857 1.00 0.00 O ATOM 753 CG2 THR A 51 -10.748 7.712 -6.806 1.00 0.00 C ATOM 0 H THR A 51 -11.128 4.438 -6.135 1.00 0.00 H new ATOM 0 HA THR A 51 -10.053 6.673 -4.664 1.00 0.00 H new ATOM 0 HB THR A 51 -12.509 7.497 -5.589 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.915 6.331 -7.498 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.278 8.215 -7.615 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.296 8.457 -6.151 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.968 7.075 -7.224 1.00 0.00 H new ATOM 761 N THR A 52 -12.639 5.125 -3.418 1.00 0.00 N ATOM 762 CA THR A 52 -13.514 5.067 -2.217 1.00 0.00 C ATOM 763 C THR A 52 -12.812 4.275 -1.112 1.00 0.00 C ATOM 764 O THR A 52 -13.072 4.463 0.060 1.00 0.00 O ATOM 765 CB THR A 52 -14.826 4.373 -2.584 1.00 0.00 C ATOM 766 OG1 THR A 52 -15.050 4.496 -3.982 1.00 0.00 O ATOM 767 CG2 THR A 52 -15.983 5.019 -1.821 1.00 0.00 C ATOM 0 H THR A 52 -12.706 4.321 -4.042 1.00 0.00 H new ATOM 0 HA THR A 52 -13.719 6.078 -1.864 1.00 0.00 H new ATOM 0 HB THR A 52 -14.764 3.318 -2.316 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.891 3.632 -4.416 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.916 4.521 -2.085 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.811 4.922 -0.749 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.048 6.075 -2.084 1.00 0.00 H new ATOM 775 N ARG A 53 -11.923 3.389 -1.474 1.00 0.00 N ATOM 776 CA ARG A 53 -11.207 2.589 -0.442 1.00 0.00 C ATOM 777 C ARG A 53 -10.287 3.509 0.359 1.00 0.00 C ATOM 778 O ARG A 53 -10.216 3.434 1.569 1.00 0.00 O ATOM 779 CB ARG A 53 -10.374 1.503 -1.126 1.00 0.00 C ATOM 780 CG ARG A 53 -11.199 0.220 -1.241 1.00 0.00 C ATOM 781 CD ARG A 53 -10.945 -0.663 -0.018 1.00 0.00 C ATOM 782 NE ARG A 53 -11.475 -2.030 -0.275 1.00 0.00 N ATOM 783 CZ ARG A 53 -12.317 -2.570 0.563 1.00 0.00 C ATOM 784 NH1 ARG A 53 -11.969 -2.764 1.805 1.00 0.00 N ATOM 785 NH2 ARG A 53 -13.508 -2.914 0.159 1.00 0.00 N ATOM 0 H ARG A 53 -11.663 3.186 -2.439 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.930 2.122 0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.064 1.838 -2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.466 1.313 -0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.259 0.462 -1.314 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.932 -0.316 -2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.877 -0.709 0.195 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.427 -0.234 0.860 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.180 -2.544 -1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.038 -2.494 2.122 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.628 -3.186 2.459 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.781 -2.761 -0.812 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.166 -3.336 0.814 1.00 0.00 H new ATOM 799 N LEU A 54 -9.581 4.378 -0.310 1.00 0.00 N ATOM 800 CA LEU A 54 -8.667 5.306 0.407 1.00 0.00 C ATOM 801 C LEU A 54 -9.459 6.508 0.924 1.00 0.00 C ATOM 802 O LEU A 54 -8.916 7.399 1.547 1.00 0.00 O ATOM 803 CB LEU A 54 -7.581 5.784 -0.557 1.00 0.00 C ATOM 804 CG LEU A 54 -6.975 4.580 -1.279 1.00 0.00 C ATOM 805 CD1 LEU A 54 -6.392 5.030 -2.619 1.00 0.00 C ATOM 806 CD2 LEU A 54 -5.865 3.977 -0.418 1.00 0.00 C ATOM 0 H LEU A 54 -9.599 4.484 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.208 4.790 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.003 6.481 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.806 6.322 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.749 3.832 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.960 4.172 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.182 5.462 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.618 5.777 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.432 3.118 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.091 4.725 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.279 3.657 0.538 1.00 0.00 H new ATOM 818 N ARG A 55 -10.741 6.542 0.671 1.00 0.00 N ATOM 819 CA ARG A 55 -11.564 7.684 1.150 1.00 0.00 C ATOM 820 C ARG A 55 -11.125 8.968 0.441 1.00 0.00 C ATOM 821 O ARG A 55 -11.128 10.037 1.015 1.00 0.00 O ATOM 822 CB ARG A 55 -11.381 7.847 2.662 1.00 0.00 C ATOM 823 CG ARG A 55 -12.562 7.204 3.392 1.00 0.00 C ATOM 824 CD ARG A 55 -12.565 7.651 4.856 1.00 0.00 C ATOM 825 NE ARG A 55 -11.215 7.423 5.447 1.00 0.00 N ATOM 826 CZ ARG A 55 -10.875 8.027 6.554 1.00 0.00 C ATOM 827 NH1 ARG A 55 -11.520 7.776 7.661 1.00 0.00 N ATOM 828 NH2 ARG A 55 -9.889 8.882 6.553 1.00 0.00 N ATOM 0 H ARG A 55 -11.251 5.827 0.153 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.614 7.490 0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.447 7.382 2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.313 8.904 2.919 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.498 7.489 2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.492 6.118 3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.831 8.706 4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.318 7.096 5.416 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.557 6.795 4.986 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.290 7.108 7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.253 8.248 8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.385 9.078 5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.623 9.354 7.417 1.00 0.00 H new ATOM 842 N GLU A 56 -10.749 8.870 -0.805 1.00 0.00 N ATOM 843 CA GLU A 56 -10.313 10.086 -1.547 1.00 0.00 C ATOM 844 C GLU A 56 -11.105 10.200 -2.851 1.00 0.00 C ATOM 845 O GLU A 56 -12.146 9.593 -3.011 1.00 0.00 O ATOM 846 CB GLU A 56 -8.819 9.985 -1.863 1.00 0.00 C ATOM 847 CG GLU A 56 -8.081 11.163 -1.223 1.00 0.00 C ATOM 848 CD GLU A 56 -6.781 10.668 -0.587 1.00 0.00 C ATOM 849 OE1 GLU A 56 -5.975 10.094 -1.302 1.00 0.00 O ATOM 850 OE2 GLU A 56 -6.613 10.869 0.604 1.00 0.00 O ATOM 0 H GLU A 56 -10.725 8.002 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.494 10.969 -0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.420 9.044 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.664 9.988 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.864 11.922 -1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.711 11.633 -0.468 1.00 0.00 H new ATOM 857 N ASN A 57 -10.625 10.975 -3.784 1.00 0.00 N ATOM 858 CA ASN A 57 -11.355 11.127 -5.073 1.00 0.00 C ATOM 859 C ASN A 57 -10.364 11.479 -6.186 1.00 0.00 C ATOM 860 O ASN A 57 -10.246 10.777 -7.171 1.00 0.00 O ATOM 861 CB ASN A 57 -12.393 12.244 -4.939 1.00 0.00 C ATOM 862 CG ASN A 57 -13.569 11.748 -4.097 1.00 0.00 C ATOM 863 OD1 ASN A 57 -14.028 12.437 -3.207 1.00 0.00 O ATOM 864 ND2 ASN A 57 -14.080 10.572 -4.341 1.00 0.00 N ATOM 0 H ASN A 57 -9.759 11.509 -3.709 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.856 10.191 -5.320 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.942 13.120 -4.473 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.742 12.551 -5.925 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.864 10.231 -3.785 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.695 9.994 -5.088 1.00 0.00 H new ATOM 871 N GLU A 58 -9.652 12.563 -6.039 1.00 0.00 N ATOM 872 CA GLU A 58 -8.671 12.961 -7.089 1.00 0.00 C ATOM 873 C GLU A 58 -7.368 12.183 -6.897 1.00 0.00 C ATOM 874 O GLU A 58 -6.621 12.424 -5.969 1.00 0.00 O ATOM 875 CB GLU A 58 -8.390 14.461 -6.978 1.00 0.00 C ATOM 876 CG GLU A 58 -9.671 15.244 -7.269 1.00 0.00 C ATOM 877 CD GLU A 58 -9.339 16.463 -8.133 1.00 0.00 C ATOM 878 OE1 GLU A 58 -8.462 16.348 -8.972 1.00 0.00 O ATOM 879 OE2 GLU A 58 -9.968 17.490 -7.940 1.00 0.00 O ATOM 0 H GLU A 58 -9.707 13.191 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.083 12.738 -8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.024 14.700 -5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.608 14.748 -7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.391 14.606 -7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.135 15.562 -6.336 1.00 0.00 H new ATOM 886 N LEU A 59 -7.084 11.251 -7.769 1.00 0.00 N ATOM 887 CA LEU A 59 -5.826 10.464 -7.632 1.00 0.00 C ATOM 888 C LEU A 59 -5.676 9.520 -8.827 1.00 0.00 C ATOM 889 O LEU A 59 -6.646 9.084 -9.415 1.00 0.00 O ATOM 890 CB LEU A 59 -5.874 9.642 -6.343 1.00 0.00 C ATOM 891 CG LEU A 59 -7.221 8.926 -6.244 1.00 0.00 C ATOM 892 CD1 LEU A 59 -7.146 7.591 -6.987 1.00 0.00 C ATOM 893 CD2 LEU A 59 -7.556 8.668 -4.773 1.00 0.00 C ATOM 0 H LEU A 59 -7.668 11.002 -8.567 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.977 11.147 -7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.062 8.915 -6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.731 10.292 -5.479 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.995 9.550 -6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.107 7.081 -6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.907 7.771 -8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.371 6.969 -6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.516 8.157 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.781 8.045 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.610 9.617 -4.240 1.00 0.00 H new ATOM 905 N THR A 60 -4.463 9.198 -9.187 1.00 0.00 N ATOM 906 CA THR A 60 -4.244 8.279 -10.340 1.00 0.00 C ATOM 907 C THR A 60 -3.718 6.938 -9.825 1.00 0.00 C ATOM 908 O THR A 60 -2.539 6.774 -9.579 1.00 0.00 O ATOM 909 CB THR A 60 -3.218 8.895 -11.293 1.00 0.00 C ATOM 910 OG1 THR A 60 -2.998 8.011 -12.382 1.00 0.00 O ATOM 911 CG2 THR A 60 -1.904 9.130 -10.547 1.00 0.00 C ATOM 0 H THR A 60 -3.614 9.532 -8.732 1.00 0.00 H new ATOM 0 HA THR A 60 -5.185 8.124 -10.868 1.00 0.00 H new ATOM 0 HB THR A 60 -3.593 9.847 -11.668 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.765 8.528 -13.181 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.173 9.569 -11.226 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.076 9.809 -9.712 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.525 8.180 -10.170 1.00 0.00 H new ATOM 919 N TYR A 61 -4.584 5.978 -9.653 1.00 0.00 N ATOM 920 CA TYR A 61 -4.137 4.649 -9.146 1.00 0.00 C ATOM 921 C TYR A 61 -3.642 3.791 -10.313 1.00 0.00 C ATOM 922 O TYR A 61 -4.366 3.529 -11.252 1.00 0.00 O ATOM 923 CB TYR A 61 -5.313 3.946 -8.465 1.00 0.00 C ATOM 924 CG TYR A 61 -6.319 3.522 -9.509 1.00 0.00 C ATOM 925 CD1 TYR A 61 -7.256 4.442 -9.995 1.00 0.00 C ATOM 926 CD2 TYR A 61 -6.312 2.209 -9.992 1.00 0.00 C ATOM 927 CE1 TYR A 61 -8.186 4.047 -10.965 1.00 0.00 C ATOM 928 CE2 TYR A 61 -7.241 1.814 -10.962 1.00 0.00 C ATOM 929 CZ TYR A 61 -8.178 2.732 -11.449 1.00 0.00 C ATOM 930 OH TYR A 61 -9.094 2.344 -12.405 1.00 0.00 O ATOM 0 H TYR A 61 -5.583 6.056 -9.842 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.326 4.789 -8.431 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.959 3.076 -7.911 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.782 4.615 -7.743 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.262 5.456 -9.622 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.589 1.500 -9.616 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.909 4.756 -11.340 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.234 0.800 -11.335 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.736 1.586 -12.913 1.00 0.00 H new ATOM 940 N TYR A 62 -2.416 3.345 -10.260 1.00 0.00 N ATOM 941 CA TYR A 62 -1.888 2.499 -11.368 1.00 0.00 C ATOM 942 C TYR A 62 -1.435 1.146 -10.811 1.00 0.00 C ATOM 943 O TYR A 62 -0.386 1.033 -10.208 1.00 0.00 O ATOM 944 CB TYR A 62 -0.700 3.200 -12.030 1.00 0.00 C ATOM 945 CG TYR A 62 -0.265 2.412 -13.244 1.00 0.00 C ATOM 946 CD1 TYR A 62 0.663 1.374 -13.107 1.00 0.00 C ATOM 947 CD2 TYR A 62 -0.792 2.721 -14.503 1.00 0.00 C ATOM 948 CE1 TYR A 62 1.065 0.642 -14.231 1.00 0.00 C ATOM 949 CE2 TYR A 62 -0.389 1.989 -15.627 1.00 0.00 C ATOM 950 CZ TYR A 62 0.539 0.950 -15.491 1.00 0.00 C ATOM 951 OH TYR A 62 0.936 0.228 -16.598 1.00 0.00 O ATOM 0 H TYR A 62 -1.760 3.529 -9.501 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.674 2.343 -12.106 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.977 4.213 -12.321 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.126 3.286 -11.323 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.069 1.137 -12.135 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.508 3.523 -14.608 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.781 -0.160 -14.126 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.795 2.226 -16.599 1.00 0.00 H new ATOM 0 HH TYR A 62 0.476 0.569 -17.393 1.00 0.00 H new ATOM 961 N CYS A 63 -2.217 0.118 -11.010 1.00 0.00 N ATOM 962 CA CYS A 63 -1.829 -1.224 -10.494 1.00 0.00 C ATOM 963 C CYS A 63 -0.943 -1.926 -11.524 1.00 0.00 C ATOM 964 O CYS A 63 -1.010 -1.650 -12.706 1.00 0.00 O ATOM 965 CB CYS A 63 -3.086 -2.059 -10.250 1.00 0.00 C ATOM 966 SG CYS A 63 -4.291 -1.082 -9.318 1.00 0.00 S ATOM 0 H CYS A 63 -3.107 0.151 -11.507 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.281 -1.111 -9.558 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.516 -2.374 -11.201 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.832 -2.964 -9.699 1.00 0.00 H new ATOM 971 N CYS A 64 -0.111 -2.829 -11.087 1.00 0.00 N ATOM 972 CA CYS A 64 0.779 -3.546 -12.048 1.00 0.00 C ATOM 973 C CYS A 64 1.102 -4.942 -11.511 1.00 0.00 C ATOM 974 O CYS A 64 0.869 -5.245 -10.359 1.00 0.00 O ATOM 975 CB CYS A 64 2.082 -2.758 -12.243 1.00 0.00 C ATOM 976 SG CYS A 64 2.515 -1.884 -10.716 1.00 0.00 S ATOM 0 H CYS A 64 -0.007 -3.103 -10.110 1.00 0.00 H new ATOM 0 HA CYS A 64 0.267 -3.636 -13.006 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.888 -3.436 -12.524 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.966 -2.045 -13.059 1.00 0.00 H new ATOM 981 N LYS A 65 1.634 -5.795 -12.345 1.00 0.00 N ATOM 982 CA LYS A 65 1.970 -7.174 -11.889 1.00 0.00 C ATOM 983 C LYS A 65 3.475 -7.413 -12.034 1.00 0.00 C ATOM 984 O LYS A 65 3.913 -8.510 -12.322 1.00 0.00 O ATOM 985 CB LYS A 65 1.209 -8.190 -12.742 1.00 0.00 C ATOM 986 CG LYS A 65 -0.295 -7.955 -12.595 1.00 0.00 C ATOM 987 CD LYS A 65 -0.909 -7.690 -13.971 1.00 0.00 C ATOM 988 CE LYS A 65 -1.154 -9.019 -14.686 1.00 0.00 C ATOM 989 NZ LYS A 65 -2.422 -9.622 -14.187 1.00 0.00 N ATOM 0 H LYS A 65 1.850 -5.596 -13.322 1.00 0.00 H new ATOM 0 HA LYS A 65 1.686 -7.288 -10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.502 -8.095 -13.788 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.462 -9.204 -12.431 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.766 -8.824 -12.136 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.478 -7.108 -11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.847 -7.145 -13.863 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.242 -7.064 -14.564 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.213 -8.860 -15.763 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.321 -9.699 -14.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.679 -10.433 -14.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.292 -9.942 -13.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.181 -8.912 -14.221 1.00 0.00 H new ATOM 1003 N LYS A 66 4.272 -6.398 -11.836 1.00 0.00 N ATOM 1004 CA LYS A 66 5.746 -6.575 -11.963 1.00 0.00 C ATOM 1005 C LYS A 66 6.377 -6.588 -10.570 1.00 0.00 C ATOM 1006 O LYS A 66 6.118 -5.729 -9.751 1.00 0.00 O ATOM 1007 CB LYS A 66 6.333 -5.421 -12.778 1.00 0.00 C ATOM 1008 CG LYS A 66 6.857 -5.952 -14.114 1.00 0.00 C ATOM 1009 CD LYS A 66 8.276 -6.497 -13.927 1.00 0.00 C ATOM 1010 CE LYS A 66 8.437 -7.792 -14.726 1.00 0.00 C ATOM 1011 NZ LYS A 66 8.943 -7.477 -16.092 1.00 0.00 N ATOM 0 H LYS A 66 3.966 -5.456 -11.592 1.00 0.00 H new ATOM 0 HA LYS A 66 5.956 -7.518 -12.468 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.572 -4.660 -12.951 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.140 -4.944 -12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.201 -6.738 -14.487 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.857 -5.156 -14.859 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.007 -5.759 -14.259 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.469 -6.683 -12.870 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.129 -8.462 -14.216 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.481 -8.312 -14.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.052 -8.358 -16.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.267 -6.853 -16.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.864 -6.999 -16.019 1.00 0.00 H new ATOM 1025 N ASP A 67 7.203 -7.560 -10.294 1.00 0.00 N ATOM 1026 CA ASP A 67 7.849 -7.632 -8.953 1.00 0.00 C ATOM 1027 C ASP A 67 8.352 -6.243 -8.552 1.00 0.00 C ATOM 1028 O ASP A 67 9.378 -5.786 -9.016 1.00 0.00 O ATOM 1029 CB ASP A 67 9.028 -8.607 -9.004 1.00 0.00 C ATOM 1030 CG ASP A 67 10.054 -8.121 -10.029 1.00 0.00 C ATOM 1031 OD1 ASP A 67 9.683 -7.970 -11.183 1.00 0.00 O ATOM 1032 OD2 ASP A 67 11.192 -7.910 -9.646 1.00 0.00 O ATOM 0 H ASP A 67 7.458 -8.307 -10.939 1.00 0.00 H new ATOM 0 HA ASP A 67 7.122 -7.980 -8.219 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.491 -8.685 -8.020 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.677 -9.604 -9.271 1.00 0.00 H new ATOM 1037 N LEU A 68 7.638 -5.571 -7.690 1.00 0.00 N ATOM 1038 CA LEU A 68 8.074 -4.216 -7.256 1.00 0.00 C ATOM 1039 C LEU A 68 7.972 -3.246 -8.433 1.00 0.00 C ATOM 1040 O LEU A 68 8.960 -2.729 -8.916 1.00 0.00 O ATOM 1041 CB LEU A 68 9.520 -4.282 -6.761 1.00 0.00 C ATOM 1042 CG LEU A 68 9.674 -5.469 -5.809 1.00 0.00 C ATOM 1043 CD1 LEU A 68 11.074 -5.456 -5.195 1.00 0.00 C ATOM 1044 CD2 LEU A 68 8.630 -5.365 -4.695 1.00 0.00 C ATOM 0 H LEU A 68 6.771 -5.904 -7.268 1.00 0.00 H new ATOM 0 HA LEU A 68 7.432 -3.866 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.201 -4.387 -7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.785 -3.356 -6.251 1.00 0.00 H new ATOM 0 HG LEU A 68 9.529 -6.398 -6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.182 -6.303 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.819 -5.528 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.220 -4.528 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.738 -6.210 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.777 -4.436 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.631 -5.375 -5.131 1.00 0.00 H new ATOM 1056 N CYS A 69 6.778 -2.993 -8.897 1.00 0.00 N ATOM 1057 CA CYS A 69 6.603 -2.054 -10.043 1.00 0.00 C ATOM 1058 C CYS A 69 6.272 -0.657 -9.513 1.00 0.00 C ATOM 1059 O CYS A 69 6.262 0.310 -10.250 1.00 0.00 O ATOM 1060 CB CYS A 69 5.464 -2.542 -10.945 1.00 0.00 C ATOM 1061 SG CYS A 69 4.025 -2.974 -9.933 1.00 0.00 S ATOM 0 H CYS A 69 5.915 -3.396 -8.532 1.00 0.00 H new ATOM 0 HA CYS A 69 7.527 -2.016 -10.620 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.197 -1.765 -11.662 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.789 -3.409 -11.521 1.00 0.00 H new ATOM 1066 N ASN A 70 6.007 -0.541 -8.241 1.00 0.00 N ATOM 1067 CA ASN A 70 5.685 0.796 -7.665 1.00 0.00 C ATOM 1068 C ASN A 70 6.922 1.347 -6.953 1.00 0.00 C ATOM 1069 O ASN A 70 6.969 1.425 -5.741 1.00 0.00 O ATOM 1070 CB ASN A 70 4.536 0.656 -6.662 1.00 0.00 C ATOM 1071 CG ASN A 70 4.278 2.006 -5.992 1.00 0.00 C ATOM 1072 OD1 ASN A 70 4.960 2.974 -6.265 1.00 0.00 O ATOM 1073 ND2 ASN A 70 3.313 2.115 -5.119 1.00 0.00 N ATOM 0 H ASN A 70 5.999 -1.314 -7.575 1.00 0.00 H new ATOM 0 HA ASN A 70 5.387 1.478 -8.462 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.635 0.312 -7.170 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.784 -0.094 -5.911 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.133 3.012 -4.667 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.740 1.304 -4.889 1.00 0.00 H new ATOM 1080 N PHE A 71 7.928 1.724 -7.696 1.00 0.00 N ATOM 1081 CA PHE A 71 9.165 2.261 -7.060 1.00 0.00 C ATOM 1082 C PHE A 71 9.554 3.589 -7.717 1.00 0.00 C ATOM 1083 O PHE A 71 10.702 3.815 -8.043 1.00 0.00 O ATOM 1084 CB PHE A 71 10.303 1.257 -7.244 1.00 0.00 C ATOM 1085 CG PHE A 71 10.554 1.057 -8.719 1.00 0.00 C ATOM 1086 CD1 PHE A 71 9.670 0.286 -9.481 1.00 0.00 C ATOM 1087 CD2 PHE A 71 11.669 1.648 -9.326 1.00 0.00 C ATOM 1088 CE1 PHE A 71 9.899 0.104 -10.851 1.00 0.00 C ATOM 1089 CE2 PHE A 71 11.899 1.467 -10.695 1.00 0.00 C ATOM 1090 CZ PHE A 71 11.014 0.695 -11.457 1.00 0.00 C ATOM 0 H PHE A 71 7.946 1.683 -8.715 1.00 0.00 H new ATOM 0 HA PHE A 71 8.981 2.424 -5.998 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.207 1.620 -6.755 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.046 0.307 -6.775 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.810 -0.169 -9.013 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.352 2.244 -8.738 1.00 0.00 H new ATOM 0 HE1 PHE A 71 9.216 -0.491 -11.439 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.759 1.923 -11.163 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.192 0.555 -12.513 1.00 0.00 H new ATOM 1100 N ASN A 72 8.611 4.469 -7.912 1.00 0.00 N ATOM 1101 CA ASN A 72 8.938 5.778 -8.547 1.00 0.00 C ATOM 1102 C ASN A 72 9.323 5.556 -10.011 1.00 0.00 C ATOM 1103 O ASN A 72 10.329 6.050 -10.479 1.00 0.00 O ATOM 1104 CB ASN A 72 10.111 6.423 -7.806 1.00 0.00 C ATOM 1105 CG ASN A 72 9.662 7.746 -7.184 1.00 0.00 C ATOM 1106 OD1 ASN A 72 10.394 8.715 -7.194 1.00 0.00 O ATOM 1107 ND2 ASN A 72 8.480 7.828 -6.638 1.00 0.00 N ATOM 0 H ASN A 72 7.631 4.340 -7.660 1.00 0.00 H new ATOM 0 HA ASN A 72 8.068 6.433 -8.496 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.477 5.751 -7.030 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.938 6.596 -8.495 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.171 8.706 -6.220 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.865 7.015 -6.629 1.00 0.00 H new ATOM 1114 N GLU A 73 8.531 4.816 -10.739 1.00 0.00 N ATOM 1115 CA GLU A 73 8.854 4.564 -12.171 1.00 0.00 C ATOM 1116 C GLU A 73 7.743 3.723 -12.803 1.00 0.00 C ATOM 1117 O GLU A 73 7.965 2.610 -13.240 1.00 0.00 O ATOM 1118 CB GLU A 73 10.186 3.816 -12.271 1.00 0.00 C ATOM 1119 CG GLU A 73 11.015 4.399 -13.417 1.00 0.00 C ATOM 1120 CD GLU A 73 10.504 3.846 -14.748 1.00 0.00 C ATOM 1121 OE1 GLU A 73 9.351 4.088 -15.064 1.00 0.00 O ATOM 1122 OE2 GLU A 73 11.275 3.191 -15.430 1.00 0.00 O ATOM 0 H GLU A 73 7.675 4.375 -10.403 1.00 0.00 H new ATOM 0 HA GLU A 73 8.934 5.514 -12.699 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.734 3.900 -11.332 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.007 2.754 -12.441 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.947 5.487 -13.413 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.067 4.145 -13.285 1.00 0.00 H new ATOM 1129 N GLN A 74 6.549 4.246 -12.857 1.00 0.00 N ATOM 1130 CA GLN A 74 5.423 3.480 -13.461 1.00 0.00 C ATOM 1131 C GLN A 74 4.317 4.450 -13.881 1.00 0.00 C ATOM 1132 O GLN A 74 3.831 4.411 -14.994 1.00 0.00 O ATOM 1133 CB GLN A 74 4.870 2.488 -12.437 1.00 0.00 C ATOM 1134 CG GLN A 74 4.046 1.417 -13.153 1.00 0.00 C ATOM 1135 CD GLN A 74 4.984 0.472 -13.908 1.00 0.00 C ATOM 1136 OE1 GLN A 74 6.179 0.684 -13.941 1.00 0.00 O ATOM 1137 NE2 GLN A 74 4.489 -0.569 -14.521 1.00 0.00 N ATOM 0 H GLN A 74 6.304 5.173 -12.508 1.00 0.00 H new ATOM 0 HA GLN A 74 5.782 2.935 -14.334 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.688 2.024 -11.887 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.251 3.010 -11.707 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.452 0.857 -12.431 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.347 1.884 -13.847 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.485 -0.747 -14.493 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.106 -1.204 -15.027 1.00 0.00 H new ATOM 1146 N LEU A 75 3.915 5.322 -12.997 1.00 0.00 N ATOM 1147 CA LEU A 75 2.841 6.295 -13.344 1.00 0.00 C ATOM 1148 C LEU A 75 3.123 6.892 -14.724 1.00 0.00 C ATOM 1149 O LEU A 75 2.251 6.973 -15.566 1.00 0.00 O ATOM 1150 CB LEU A 75 2.813 7.416 -12.302 1.00 0.00 C ATOM 1151 CG LEU A 75 1.378 7.624 -11.814 1.00 0.00 C ATOM 1152 CD1 LEU A 75 0.481 7.973 -13.002 1.00 0.00 C ATOM 1153 CD2 LEU A 75 0.875 6.337 -11.156 1.00 0.00 C ATOM 0 H LEU A 75 4.284 5.403 -12.050 1.00 0.00 H new ATOM 0 HA LEU A 75 1.878 5.785 -13.356 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.461 7.163 -11.463 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.198 8.339 -12.735 1.00 0.00 H new ATOM 0 HG LEU A 75 1.353 8.438 -11.090 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.541 8.121 -12.655 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.841 8.888 -13.473 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.504 7.159 -13.727 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.147 6.482 -10.807 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.899 5.524 -11.882 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.515 6.087 -10.310 1.00 0.00 H new