USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 551 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 46 HIS : no HD1:sc= -0.509 K(o=0.17,f=-13!) USER MOD Set 1.2: A 56 HIS : no HD1:sc= 0.68 K(o=0.17,f=-11!) USER MOD Set 2.1: A 45 SER OG : rot 75:sc= 1.97 USER MOD Set 2.2: A 58 THR OG1 : rot 80:sc= 0.926 USER MOD Single : A 12 GLN : amide:sc= 2.84 K(o=2.8,f=-9.6!) USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0161) USER MOD Single : A 17 THR OG1 : rot -43:sc= 1.23 USER MOD Single : A 22 SER OG : rot 130:sc= 0.753 USER MOD Single : A 26 LYS NZ :NH3+ 138:sc= 1.18 (180deg=0.104) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 67:sc= 0.722 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.104 USER MOD Single : A 42 HIS : no HD1:sc= -0.316 K(o=-0.32,f=-8.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00302 USER MOD Single : A 53 GLN : amide:sc= 0.755 K(o=0.76,f=-0.27) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.747 K(o=-0.75,f=-3.7!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 69 GLN : amide:sc= 0.377 K(o=0.38,f=-1.5) USER MOD Single : A 70 THR OG1 : rot -42:sc= 0.983 USER MOD Single : A 71 SER OG : rot 180:sc= -0.227 USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0161) USER MOD Single : A 74 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0555) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.108 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 13.708 0.992 -7.618 1.00 0.00 N ATOM 62 CA GLY A 5 12.527 0.164 -7.434 1.00 0.00 C ATOM 63 C GLY A 5 12.538 -0.490 -6.058 1.00 0.00 C ATOM 64 O GLY A 5 11.669 -0.207 -5.235 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.629 0.772 -7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.491 -0.604 -8.207 1.00 0.00 H new ATOM 68 N ALA A 6 13.516 -1.371 -5.827 1.00 0.00 N ATOM 69 CA ALA A 6 13.729 -2.065 -4.566 1.00 0.00 C ATOM 70 C ALA A 6 13.860 -1.025 -3.459 1.00 0.00 C ATOM 71 O ALA A 6 14.679 -0.115 -3.576 1.00 0.00 O ATOM 72 CB ALA A 6 14.984 -2.935 -4.658 1.00 0.00 C ATOM 0 H ALA A 6 14.200 -1.625 -6.540 1.00 0.00 H new ATOM 0 HA ALA A 6 12.886 -2.720 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.138 -3.452 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.861 -3.668 -5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.848 -2.306 -4.873 1.00 0.00 H new ATOM 78 N CYS A 7 13.016 -1.117 -2.430 1.00 0.00 N ATOM 79 CA CYS A 7 13.006 -0.147 -1.344 1.00 0.00 C ATOM 80 C CYS A 7 12.768 -0.817 0.003 1.00 0.00 C ATOM 81 O CYS A 7 11.987 -1.763 0.086 1.00 0.00 O ATOM 82 CB CYS A 7 11.948 0.908 -1.628 1.00 0.00 C ATOM 83 SG CYS A 7 11.861 2.141 -0.324 1.00 0.00 S ATOM 0 H CYS A 7 12.326 -1.862 -2.330 1.00 0.00 H new ATOM 0 HA CYS A 7 13.984 0.330 -1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.170 1.398 -2.576 1.00 0.00 H new ATOM 0 HB3 CYS A 7 10.976 0.427 -1.737 1.00 0.00 H new ATOM 88 N GLU A 8 13.421 -0.315 1.055 1.00 0.00 N ATOM 89 CA GLU A 8 13.369 -0.845 2.399 1.00 0.00 C ATOM 90 C GLU A 8 12.407 -0.050 3.292 1.00 0.00 C ATOM 91 O GLU A 8 11.760 -0.658 4.141 1.00 0.00 O ATOM 92 CB GLU A 8 14.791 -0.853 2.977 1.00 0.00 C ATOM 93 CG GLU A 8 15.782 -1.702 2.162 1.00 0.00 C ATOM 94 CD GLU A 8 16.268 -1.000 0.894 1.00 0.00 C ATOM 95 OE1 GLU A 8 16.903 0.068 1.045 1.00 0.00 O ATOM 96 OE2 GLU A 8 15.983 -1.532 -0.200 1.00 0.00 O ATOM 0 H GLU A 8 14.022 0.506 0.979 1.00 0.00 H new ATOM 0 HA GLU A 8 12.981 -1.863 2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.159 0.172 3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.757 -1.231 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.641 -1.948 2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.306 -2.644 1.890 1.00 0.00 H new ATOM 103 N ARG A 9 12.336 1.282 3.155 1.00 0.00 N ATOM 104 CA ARG A 9 11.460 2.142 3.956 1.00 0.00 C ATOM 105 C ARG A 9 10.849 3.246 3.095 1.00 0.00 C ATOM 106 O ARG A 9 11.565 3.826 2.279 1.00 0.00 O ATOM 107 CB ARG A 9 12.220 2.836 5.095 1.00 0.00 C ATOM 108 CG ARG A 9 13.063 1.928 5.997 1.00 0.00 C ATOM 109 CD ARG A 9 14.549 1.970 5.617 1.00 0.00 C ATOM 110 NE ARG A 9 15.136 3.304 5.823 1.00 0.00 N ATOM 111 CZ ARG A 9 15.445 3.847 7.010 1.00 0.00 C ATOM 112 NH1 ARG A 9 15.222 3.177 8.146 1.00 0.00 N ATOM 113 NH2 ARG A 9 15.981 5.070 7.052 1.00 0.00 N ATOM 0 H ARG A 9 12.894 1.797 2.474 1.00 0.00 H new ATOM 0 HA ARG A 9 10.690 1.488 4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.875 3.591 4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.497 3.363 5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.944 2.236 7.036 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.698 0.903 5.925 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.096 1.238 6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.664 1.681 4.572 1.00 0.00 H new ATOM 0 HE ARG A 9 15.324 3.864 4.991 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.813 2.243 8.115 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.461 3.600 9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.152 5.582 6.186 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.219 5.492 7.950 1.00 0.00 H new ATOM 127 N ASP A 10 9.573 3.583 3.345 1.00 0.00 N ATOM 128 CA ASP A 10 8.804 4.609 2.631 1.00 0.00 C ATOM 129 C ASP A 10 9.671 5.825 2.304 1.00 0.00 C ATOM 130 O ASP A 10 9.793 6.236 1.153 1.00 0.00 O ATOM 131 CB ASP A 10 7.638 5.105 3.505 1.00 0.00 C ATOM 132 CG ASP A 10 6.416 4.210 3.574 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.421 3.073 3.058 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.439 4.669 4.204 1.00 0.00 O ATOM 0 H ASP A 10 9.030 3.129 4.079 1.00 0.00 H new ATOM 0 HA ASP A 10 8.439 4.151 1.712 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.010 5.253 4.519 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.325 6.081 3.135 1.00 0.00 H new ATOM 139 N LEU A 11 10.267 6.376 3.364 1.00 0.00 N ATOM 140 CA LEU A 11 11.111 7.561 3.386 1.00 0.00 C ATOM 141 C LEU A 11 12.135 7.615 2.247 1.00 0.00 C ATOM 142 O LEU A 11 12.492 8.702 1.800 1.00 0.00 O ATOM 143 CB LEU A 11 11.801 7.608 4.760 1.00 0.00 C ATOM 144 CG LEU A 11 12.689 8.839 5.006 1.00 0.00 C ATOM 145 CD1 LEU A 11 11.887 10.145 4.956 1.00 0.00 C ATOM 146 CD2 LEU A 11 13.348 8.704 6.384 1.00 0.00 C ATOM 0 H LEU A 11 10.161 5.972 4.295 1.00 0.00 H new ATOM 0 HA LEU A 11 10.483 8.438 3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.035 7.572 5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.411 6.712 4.873 1.00 0.00 H new ATOM 0 HG LEU A 11 13.439 8.880 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.554 10.989 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.424 10.250 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.112 10.126 5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.981 9.571 6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.577 8.645 7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.955 7.799 6.410 1.00 0.00 H new ATOM 158 N GLN A 12 12.642 6.465 1.793 1.00 0.00 N ATOM 159 CA GLN A 12 13.641 6.443 0.736 1.00 0.00 C ATOM 160 C GLN A 12 13.066 6.843 -0.627 1.00 0.00 C ATOM 161 O GLN A 12 13.827 7.285 -1.485 1.00 0.00 O ATOM 162 CB GLN A 12 14.241 5.041 0.607 1.00 0.00 C ATOM 163 CG GLN A 12 14.897 4.509 1.884 1.00 0.00 C ATOM 164 CD GLN A 12 15.332 3.065 1.666 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.496 2.169 1.619 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.626 2.810 1.511 1.00 0.00 N ATOM 0 H GLN A 12 12.375 5.545 2.143 1.00 0.00 H new ATOM 0 HA GLN A 12 14.403 7.170 1.017 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.455 4.350 0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.984 5.050 -0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.758 5.124 2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.197 4.568 2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.304 3.571 1.554 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.942 1.854 1.349 1.00 0.00 H new ATOM 175 N CYS A 13 11.762 6.639 -0.853 1.00 0.00 N ATOM 176 CA CYS A 13 11.137 6.855 -2.155 1.00 0.00 C ATOM 177 C CYS A 13 10.216 8.080 -2.155 1.00 0.00 C ATOM 178 O CYS A 13 10.043 8.740 -1.133 1.00 0.00 O ATOM 179 CB CYS A 13 10.434 5.563 -2.591 1.00 0.00 C ATOM 180 SG CYS A 13 10.560 5.236 -4.364 1.00 0.00 S ATOM 0 H CYS A 13 11.113 6.319 -0.134 1.00 0.00 H new ATOM 0 HA CYS A 13 11.904 7.087 -2.893 1.00 0.00 H new ATOM 0 HB2 CYS A 13 10.862 4.723 -2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.381 5.620 -2.314 1.00 0.00 H new ATOM 185 N GLY A 14 9.645 8.417 -3.316 1.00 0.00 N ATOM 186 CA GLY A 14 8.809 9.600 -3.478 1.00 0.00 C ATOM 187 C GLY A 14 7.538 9.550 -2.628 1.00 0.00 C ATOM 188 O GLY A 14 6.929 8.492 -2.479 1.00 0.00 O ATOM 0 H GLY A 14 9.753 7.871 -4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.385 10.486 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.535 9.704 -4.528 1.00 0.00 H new ATOM 192 N LYS A 15 7.099 10.713 -2.130 1.00 0.00 N ATOM 193 CA LYS A 15 5.917 10.861 -1.282 1.00 0.00 C ATOM 194 C LYS A 15 4.644 10.245 -1.879 1.00 0.00 C ATOM 195 O LYS A 15 3.755 9.829 -1.142 1.00 0.00 O ATOM 196 CB LYS A 15 5.717 12.340 -0.916 1.00 0.00 C ATOM 197 CG LYS A 15 5.456 13.251 -2.126 1.00 0.00 C ATOM 198 CD LYS A 15 5.276 14.699 -1.651 1.00 0.00 C ATOM 199 CE LYS A 15 4.916 15.643 -2.805 1.00 0.00 C ATOM 200 NZ LYS A 15 6.000 15.743 -3.799 1.00 0.00 N ATOM 0 H LYS A 15 7.571 11.598 -2.313 1.00 0.00 H new ATOM 0 HA LYS A 15 6.105 10.289 -0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.879 12.423 -0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.602 12.697 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.288 13.188 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.565 12.919 -2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.493 14.737 -0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.195 15.041 -1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.009 15.288 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.697 16.634 -2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.750 16.454 -4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.881 16.025 -3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.135 14.820 -4.260 1.00 0.00 H new ATOM 214 N GLY A 16 4.543 10.185 -3.212 1.00 0.00 N ATOM 215 CA GLY A 16 3.404 9.578 -3.894 1.00 0.00 C ATOM 216 C GLY A 16 3.430 8.046 -3.829 1.00 0.00 C ATOM 217 O GLY A 16 2.567 7.383 -4.407 1.00 0.00 O ATOM 0 H GLY A 16 5.251 10.557 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.480 9.942 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.398 9.894 -4.937 1.00 0.00 H new ATOM 221 N THR A 17 4.425 7.461 -3.160 1.00 0.00 N ATOM 222 CA THR A 17 4.553 6.028 -3.016 1.00 0.00 C ATOM 223 C THR A 17 4.863 5.711 -1.551 1.00 0.00 C ATOM 224 O THR A 17 4.988 6.607 -0.718 1.00 0.00 O ATOM 225 CB THR A 17 5.673 5.520 -3.959 1.00 0.00 C ATOM 226 OG1 THR A 17 6.947 5.927 -3.503 1.00 0.00 O ATOM 227 CG2 THR A 17 5.531 6.037 -5.396 1.00 0.00 C ATOM 0 H THR A 17 5.170 7.985 -2.700 1.00 0.00 H new ATOM 0 HA THR A 17 3.627 5.523 -3.292 1.00 0.00 H new ATOM 0 HB THR A 17 5.575 4.434 -3.952 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.907 6.861 -3.210 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.345 5.646 -6.006 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.578 5.707 -5.809 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.569 7.126 -5.396 1.00 0.00 H new ATOM 235 N CYS A 18 4.978 4.422 -1.259 1.00 0.00 N ATOM 236 CA CYS A 18 5.340 3.827 0.013 1.00 0.00 C ATOM 237 C CYS A 18 6.307 2.695 -0.345 1.00 0.00 C ATOM 238 O CYS A 18 6.487 2.418 -1.530 1.00 0.00 O ATOM 239 CB CYS A 18 4.087 3.221 0.647 1.00 0.00 C ATOM 240 SG CYS A 18 3.652 1.671 -0.167 1.00 0.00 S ATOM 0 H CYS A 18 4.805 3.710 -1.968 1.00 0.00 H new ATOM 0 HA CYS A 18 5.775 4.548 0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.259 3.045 1.709 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.257 3.924 0.570 1.00 0.00 H new ATOM 245 N CYS A 19 6.882 1.990 0.629 1.00 0.00 N ATOM 246 CA CYS A 19 7.758 0.856 0.354 1.00 0.00 C ATOM 247 C CYS A 19 7.198 -0.380 1.041 1.00 0.00 C ATOM 248 O CYS A 19 7.252 -0.491 2.265 1.00 0.00 O ATOM 249 CB CYS A 19 9.191 1.180 0.749 1.00 0.00 C ATOM 250 SG CYS A 19 9.842 2.546 -0.240 1.00 0.00 S ATOM 0 H CYS A 19 6.754 2.188 1.621 1.00 0.00 H new ATOM 0 HA CYS A 19 7.790 0.645 -0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.230 1.441 1.807 1.00 0.00 H new ATOM 0 HB3 CYS A 19 9.817 0.298 0.615 1.00 0.00 H new ATOM 255 N ALA A 20 6.634 -1.298 0.250 1.00 0.00 N ATOM 256 CA ALA A 20 5.989 -2.509 0.737 1.00 0.00 C ATOM 257 C ALA A 20 6.357 -3.686 -0.150 1.00 0.00 C ATOM 258 O ALA A 20 7.028 -3.513 -1.170 1.00 0.00 O ATOM 259 CB ALA A 20 4.468 -2.318 0.766 1.00 0.00 C ATOM 0 H ALA A 20 6.616 -1.213 -0.766 1.00 0.00 H new ATOM 0 HA ALA A 20 6.335 -2.713 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.994 -3.229 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.218 -1.488 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.109 -2.101 -0.240 1.00 0.00 H new ATOM 265 N VAL A 21 5.936 -4.882 0.267 1.00 0.00 N ATOM 266 CA VAL A 21 6.190 -6.113 -0.459 1.00 0.00 C ATOM 267 C VAL A 21 5.704 -5.932 -1.902 1.00 0.00 C ATOM 268 O VAL A 21 4.622 -5.394 -2.125 1.00 0.00 O ATOM 269 CB VAL A 21 5.487 -7.306 0.225 1.00 0.00 C ATOM 270 CG1 VAL A 21 5.897 -8.627 -0.438 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.791 -7.401 1.726 1.00 0.00 C ATOM 0 H VAL A 21 5.405 -5.017 1.127 1.00 0.00 H new ATOM 0 HA VAL A 21 7.258 -6.331 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 21 4.418 -7.131 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.391 -9.455 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.616 -8.608 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.976 -8.757 -0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.269 -8.259 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.864 -7.521 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.456 -6.491 2.223 1.00 0.00 H new ATOM 281 N SER A 22 6.493 -6.346 -2.893 1.00 0.00 N ATOM 282 CA SER A 22 6.071 -6.225 -4.277 1.00 0.00 C ATOM 283 C SER A 22 4.829 -7.083 -4.505 1.00 0.00 C ATOM 284 O SER A 22 4.737 -8.211 -4.024 1.00 0.00 O ATOM 285 CB SER A 22 7.212 -6.624 -5.223 1.00 0.00 C ATOM 286 OG SER A 22 6.742 -6.797 -6.554 1.00 0.00 O ATOM 0 H SER A 22 7.415 -6.762 -2.761 1.00 0.00 H new ATOM 0 HA SER A 22 5.818 -5.187 -4.492 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.987 -5.858 -5.205 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.670 -7.549 -4.874 1.00 0.00 H new ATOM 0 HG SER A 22 7.311 -6.290 -7.170 1.00 0.00 H new ATOM 292 N LEU A 23 3.856 -6.545 -5.241 1.00 0.00 N ATOM 293 CA LEU A 23 2.668 -7.286 -5.638 1.00 0.00 C ATOM 294 C LEU A 23 3.051 -8.384 -6.638 1.00 0.00 C ATOM 295 O LEU A 23 2.260 -9.297 -6.857 1.00 0.00 O ATOM 296 CB LEU A 23 1.641 -6.317 -6.253 1.00 0.00 C ATOM 297 CG LEU A 23 0.684 -5.638 -5.255 1.00 0.00 C ATOM 298 CD1 LEU A 23 -0.442 -6.593 -4.848 1.00 0.00 C ATOM 299 CD2 LEU A 23 1.381 -5.107 -3.998 1.00 0.00 C ATOM 0 H LEU A 23 3.873 -5.582 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 23 2.220 -7.760 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.181 -5.541 -6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.046 -6.863 -6.985 1.00 0.00 H new ATOM 0 HG LEU A 23 0.275 -4.776 -5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.106 -6.093 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.007 -6.887 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.015 -7.479 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.645 -4.643 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.864 -5.932 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.131 -4.369 -4.282 1.00 0.00 H new ATOM 311 N TRP A 24 4.251 -8.312 -7.234 1.00 0.00 N ATOM 312 CA TRP A 24 4.706 -9.251 -8.247 1.00 0.00 C ATOM 313 C TRP A 24 5.850 -10.103 -7.695 1.00 0.00 C ATOM 314 O TRP A 24 5.657 -11.297 -7.467 1.00 0.00 O ATOM 315 CB TRP A 24 5.011 -8.475 -9.538 1.00 0.00 C ATOM 316 CG TRP A 24 3.877 -7.573 -9.928 1.00 0.00 C ATOM 317 CD1 TRP A 24 2.767 -7.958 -10.596 1.00 0.00 C ATOM 318 CD2 TRP A 24 3.620 -6.202 -9.493 1.00 0.00 C ATOM 319 NE1 TRP A 24 1.838 -6.938 -10.594 1.00 0.00 N ATOM 320 CE2 TRP A 24 2.300 -5.842 -9.894 1.00 0.00 C ATOM 321 CE3 TRP A 24 4.349 -5.243 -8.756 1.00 0.00 C ATOM 322 CZ2 TRP A 24 1.723 -4.609 -9.554 1.00 0.00 C ATOM 323 CZ3 TRP A 24 3.783 -4.000 -8.414 1.00 0.00 C ATOM 324 CH2 TRP A 24 2.463 -3.694 -8.789 1.00 0.00 C ATOM 0 H TRP A 24 4.935 -7.587 -7.017 1.00 0.00 H new ATOM 0 HA TRP A 24 3.934 -9.974 -8.512 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.916 -7.883 -9.401 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.210 -9.179 -10.346 1.00 0.00 H new ATOM 0 HD1 TRP A 24 2.628 -8.922 -11.063 1.00 0.00 H new ATOM 0 HE1 TRP A 24 0.927 -6.988 -11.051 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.360 -5.467 -8.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 0.721 -4.367 -9.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.366 -3.278 -7.861 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.019 -2.756 -8.489 1.00 0.00 H new ATOM 335 N ILE A 25 7.022 -9.522 -7.414 1.00 0.00 N ATOM 336 CA ILE A 25 8.124 -10.286 -6.848 1.00 0.00 C ATOM 337 C ILE A 25 7.932 -10.301 -5.333 1.00 0.00 C ATOM 338 O ILE A 25 8.685 -9.691 -4.580 1.00 0.00 O ATOM 339 CB ILE A 25 9.493 -9.775 -7.346 1.00 0.00 C ATOM 340 CG1 ILE A 25 10.599 -10.716 -6.831 1.00 0.00 C ATOM 341 CG2 ILE A 25 9.775 -8.299 -7.030 1.00 0.00 C ATOM 342 CD1 ILE A 25 11.970 -10.441 -7.456 1.00 0.00 C ATOM 0 H ILE A 25 7.225 -8.535 -7.570 1.00 0.00 H new ATOM 0 HA ILE A 25 8.119 -11.321 -7.191 1.00 0.00 H new ATOM 0 HB ILE A 25 9.474 -9.800 -8.436 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.675 -10.617 -5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.314 -11.748 -7.038 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.757 -8.026 -7.416 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.014 -7.675 -7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.754 -8.148 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.702 -11.139 -7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.909 -10.568 -8.537 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.276 -9.420 -7.227 1.00 0.00 H new ATOM 354 N LYS A 26 6.937 -11.059 -4.873 1.00 0.00 N ATOM 355 CA LYS A 26 6.525 -11.156 -3.471 1.00 0.00 C ATOM 356 C LYS A 26 7.638 -11.509 -2.462 1.00 0.00 C ATOM 357 O LYS A 26 7.373 -11.546 -1.264 1.00 0.00 O ATOM 358 CB LYS A 26 5.343 -12.131 -3.358 1.00 0.00 C ATOM 359 CG LYS A 26 4.132 -11.675 -4.189 1.00 0.00 C ATOM 360 CD LYS A 26 2.956 -12.637 -3.981 1.00 0.00 C ATOM 361 CE LYS A 26 1.688 -12.158 -4.701 1.00 0.00 C ATOM 362 NZ LYS A 26 1.887 -12.019 -6.154 1.00 0.00 N ATOM 0 H LYS A 26 6.374 -11.645 -5.489 1.00 0.00 H new ATOM 0 HA LYS A 26 6.230 -10.148 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.657 -13.120 -3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.050 -12.224 -2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.841 -10.665 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.399 -11.638 -5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.228 -13.627 -4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.752 -12.736 -2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.878 -12.863 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.378 -11.199 -4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.056 -12.392 -6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.014 -11.015 -6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.732 -12.552 -6.441 1.00 0.00 H new ATOM 376 N SER A 27 8.870 -11.765 -2.915 1.00 0.00 N ATOM 377 CA SER A 27 10.020 -12.053 -2.066 1.00 0.00 C ATOM 378 C SER A 27 10.873 -10.798 -1.827 1.00 0.00 C ATOM 379 O SER A 27 11.880 -10.876 -1.128 1.00 0.00 O ATOM 380 CB SER A 27 10.864 -13.132 -2.750 1.00 0.00 C ATOM 381 OG SER A 27 10.077 -14.284 -2.985 1.00 0.00 O ATOM 0 H SER A 27 9.096 -11.777 -3.910 1.00 0.00 H new ATOM 0 HA SER A 27 9.666 -12.398 -1.094 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.260 -12.753 -3.692 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.720 -13.387 -2.125 1.00 0.00 H new ATOM 0 HG SER A 27 10.623 -14.969 -3.424 1.00 0.00 H new ATOM 387 N VAL A 28 10.506 -9.659 -2.423 1.00 0.00 N ATOM 388 CA VAL A 28 11.233 -8.400 -2.365 1.00 0.00 C ATOM 389 C VAL A 28 10.224 -7.277 -2.111 1.00 0.00 C ATOM 390 O VAL A 28 9.048 -7.422 -2.443 1.00 0.00 O ATOM 391 CB VAL A 28 11.982 -8.239 -3.707 1.00 0.00 C ATOM 392 CG1 VAL A 28 12.171 -6.788 -4.162 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.341 -8.946 -3.651 1.00 0.00 C ATOM 0 H VAL A 28 9.655 -9.593 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 28 11.965 -8.370 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 28 11.338 -8.707 -4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.706 -6.771 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.197 -6.316 -4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.746 -6.244 -3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.855 -8.823 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.945 -8.511 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.191 -10.008 -3.455 1.00 0.00 H new ATOM 403 N ARG A 29 10.676 -6.162 -1.522 1.00 0.00 N ATOM 404 CA ARG A 29 9.853 -4.987 -1.264 1.00 0.00 C ATOM 405 C ARG A 29 10.288 -3.857 -2.201 1.00 0.00 C ATOM 406 O ARG A 29 11.485 -3.677 -2.435 1.00 0.00 O ATOM 407 CB ARG A 29 9.922 -4.563 0.209 1.00 0.00 C ATOM 408 CG ARG A 29 9.858 -5.709 1.225 1.00 0.00 C ATOM 409 CD ARG A 29 9.806 -5.132 2.650 1.00 0.00 C ATOM 410 NE ARG A 29 8.626 -5.599 3.393 1.00 0.00 N ATOM 411 CZ ARG A 29 8.498 -6.812 3.949 1.00 0.00 C ATOM 412 NH1 ARG A 29 9.459 -7.731 3.805 1.00 0.00 N ATOM 413 NH2 ARG A 29 7.392 -7.099 4.638 1.00 0.00 N ATOM 0 H ARG A 29 11.641 -6.056 -1.209 1.00 0.00 H new ATOM 0 HA ARG A 29 8.809 -5.230 -1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.848 -4.010 0.368 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.101 -3.875 0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.978 -6.325 1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.729 -6.355 1.115 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.709 -5.417 3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.795 -4.043 2.600 1.00 0.00 H new ATOM 0 HE ARG A 29 7.845 -4.950 3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.298 -7.512 3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.353 -8.651 4.232 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.657 -6.399 4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.282 -8.018 5.066 1.00 0.00 H new ATOM 427 N VAL A 30 9.327 -3.113 -2.758 1.00 0.00 N ATOM 428 CA VAL A 30 9.584 -2.067 -3.740 1.00 0.00 C ATOM 429 C VAL A 30 8.752 -0.821 -3.455 1.00 0.00 C ATOM 430 O VAL A 30 7.783 -0.874 -2.689 1.00 0.00 O ATOM 431 CB VAL A 30 9.269 -2.572 -5.166 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.092 -3.808 -5.542 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.775 -2.878 -5.347 1.00 0.00 C ATOM 0 H VAL A 30 8.338 -3.225 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 30 10.640 -1.807 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 30 9.547 -1.758 -5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.834 -4.123 -6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.154 -3.565 -5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.875 -4.616 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.596 -3.230 -6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.473 -3.648 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.194 -1.973 -5.169 1.00 0.00 H new ATOM 443 N CYS A 31 9.124 0.285 -4.113 1.00 0.00 N ATOM 444 CA CYS A 31 8.368 1.527 -4.083 1.00 0.00 C ATOM 445 C CYS A 31 7.000 1.208 -4.678 1.00 0.00 C ATOM 446 O CYS A 31 6.847 1.129 -5.895 1.00 0.00 O ATOM 447 CB CYS A 31 9.021 2.646 -4.904 1.00 0.00 C ATOM 448 SG CYS A 31 10.693 3.158 -4.458 1.00 0.00 S ATOM 0 H CYS A 31 9.968 0.335 -4.684 1.00 0.00 H new ATOM 0 HA CYS A 31 8.315 1.889 -3.056 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.036 2.330 -5.947 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.376 3.523 -4.846 1.00 0.00 H new ATOM 453 N THR A 32 6.010 1.003 -3.821 1.00 0.00 N ATOM 454 CA THR A 32 4.660 0.644 -4.203 1.00 0.00 C ATOM 455 C THR A 32 3.863 1.948 -4.161 1.00 0.00 C ATOM 456 O THR A 32 3.980 2.690 -3.186 1.00 0.00 O ATOM 457 CB THR A 32 4.169 -0.420 -3.211 1.00 0.00 C ATOM 458 OG1 THR A 32 5.052 -1.526 -3.260 1.00 0.00 O ATOM 459 CG2 THR A 32 2.741 -0.901 -3.484 1.00 0.00 C ATOM 0 H THR A 32 6.132 1.085 -2.812 1.00 0.00 H new ATOM 0 HA THR A 32 4.563 0.211 -5.199 1.00 0.00 H new ATOM 0 HB THR A 32 4.157 0.042 -2.224 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.926 -1.263 -2.904 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.462 -1.651 -2.744 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.054 -0.057 -3.421 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.689 -1.338 -4.481 1.00 0.00 H new ATOM 467 N PRO A 33 3.118 2.303 -5.216 1.00 0.00 N ATOM 468 CA PRO A 33 2.381 3.552 -5.236 1.00 0.00 C ATOM 469 C PRO A 33 1.295 3.544 -4.163 1.00 0.00 C ATOM 470 O PRO A 33 0.879 2.476 -3.711 1.00 0.00 O ATOM 471 CB PRO A 33 1.790 3.655 -6.645 1.00 0.00 C ATOM 472 CG PRO A 33 1.651 2.194 -7.074 1.00 0.00 C ATOM 473 CD PRO A 33 2.859 1.525 -6.416 1.00 0.00 C ATOM 0 HA PRO A 33 3.015 4.412 -5.017 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.828 4.167 -6.641 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.444 4.211 -7.316 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.712 1.760 -6.730 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.672 2.088 -8.159 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.648 0.484 -6.172 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.722 1.528 -7.082 1.00 0.00 H new ATOM 481 N VAL A 34 0.846 4.731 -3.737 1.00 0.00 N ATOM 482 CA VAL A 34 -0.304 4.798 -2.838 1.00 0.00 C ATOM 483 C VAL A 34 -1.468 4.026 -3.484 1.00 0.00 C ATOM 484 O VAL A 34 -1.572 3.953 -4.714 1.00 0.00 O ATOM 485 CB VAL A 34 -0.712 6.254 -2.542 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.215 6.914 -1.517 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.764 7.109 -3.811 1.00 0.00 C ATOM 0 H VAL A 34 1.250 5.632 -3.993 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.038 4.347 -1.882 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.716 6.201 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.110 7.939 -1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.180 6.355 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.236 6.918 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.056 8.127 -3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.219 7.122 -4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.492 6.688 -4.504 1.00 0.00 H new ATOM 497 N GLY A 35 -2.338 3.432 -2.663 1.00 0.00 N ATOM 498 CA GLY A 35 -3.448 2.646 -3.171 1.00 0.00 C ATOM 499 C GLY A 35 -4.242 3.442 -4.199 1.00 0.00 C ATOM 500 O GLY A 35 -4.406 4.651 -4.070 1.00 0.00 O ATOM 0 H GLY A 35 -2.289 3.485 -1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.073 1.728 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.100 2.352 -2.348 1.00 0.00 H new ATOM 504 N THR A 36 -4.716 2.771 -5.239 1.00 0.00 N ATOM 505 CA THR A 36 -5.419 3.385 -6.352 1.00 0.00 C ATOM 506 C THR A 36 -6.730 2.622 -6.542 1.00 0.00 C ATOM 507 O THR A 36 -6.854 1.501 -6.053 1.00 0.00 O ATOM 508 CB THR A 36 -4.484 3.352 -7.573 1.00 0.00 C ATOM 509 OG1 THR A 36 -3.299 4.071 -7.273 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.101 3.991 -8.821 1.00 0.00 C ATOM 0 H THR A 36 -4.619 1.760 -5.333 1.00 0.00 H new ATOM 0 HA THR A 36 -5.679 4.430 -6.184 1.00 0.00 H new ATOM 0 HB THR A 36 -4.289 2.301 -7.785 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.699 4.051 -8.048 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.392 3.936 -9.647 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.013 3.458 -9.090 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.338 5.035 -8.616 1.00 0.00 H new ATOM 518 N SER A 37 -7.711 3.235 -7.206 1.00 0.00 N ATOM 519 CA SER A 37 -9.037 2.702 -7.463 1.00 0.00 C ATOM 520 C SER A 37 -9.043 1.205 -7.804 1.00 0.00 C ATOM 521 O SER A 37 -8.660 0.827 -8.909 1.00 0.00 O ATOM 522 CB SER A 37 -9.633 3.532 -8.604 1.00 0.00 C ATOM 523 OG SER A 37 -9.319 4.898 -8.383 1.00 0.00 O ATOM 0 H SER A 37 -7.588 4.169 -7.598 1.00 0.00 H new ATOM 0 HA SER A 37 -9.635 2.778 -6.555 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.231 3.202 -9.562 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.713 3.395 -8.647 1.00 0.00 H new ATOM 0 HG SER A 37 -9.693 5.441 -9.108 1.00 0.00 H new ATOM 529 N GLY A 38 -9.483 0.363 -6.864 1.00 0.00 N ATOM 530 CA GLY A 38 -9.612 -1.078 -7.049 1.00 0.00 C ATOM 531 C GLY A 38 -8.464 -1.890 -6.447 1.00 0.00 C ATOM 532 O GLY A 38 -8.606 -3.101 -6.288 1.00 0.00 O ATOM 0 H GLY A 38 -9.764 0.675 -5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.550 -1.408 -6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.674 -1.292 -8.116 1.00 0.00 H new ATOM 536 N GLU A 39 -7.332 -1.264 -6.112 1.00 0.00 N ATOM 537 CA GLU A 39 -6.201 -1.976 -5.531 1.00 0.00 C ATOM 538 C GLU A 39 -6.576 -2.573 -4.174 1.00 0.00 C ATOM 539 O GLU A 39 -7.411 -2.024 -3.454 1.00 0.00 O ATOM 540 CB GLU A 39 -4.996 -1.039 -5.367 1.00 0.00 C ATOM 541 CG GLU A 39 -4.424 -0.559 -6.711 1.00 0.00 C ATOM 542 CD GLU A 39 -3.855 -1.697 -7.558 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.298 -2.640 -6.954 1.00 0.00 O ATOM 544 OE2 GLU A 39 -3.982 -1.597 -8.797 1.00 0.00 O ATOM 0 H GLU A 39 -7.179 -0.263 -6.235 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.931 -2.784 -6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.293 -0.174 -4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.215 -1.555 -4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.208 -0.052 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.640 0.175 -6.525 1.00 0.00 H new ATOM 551 N ASP A 40 -5.937 -3.696 -3.834 1.00 0.00 N ATOM 552 CA ASP A 40 -6.127 -4.373 -2.560 1.00 0.00 C ATOM 553 C ASP A 40 -5.667 -3.459 -1.422 1.00 0.00 C ATOM 554 O ASP A 40 -4.746 -2.661 -1.603 1.00 0.00 O ATOM 555 CB ASP A 40 -5.347 -5.694 -2.564 1.00 0.00 C ATOM 556 CG ASP A 40 -5.525 -6.475 -1.264 1.00 0.00 C ATOM 557 OD1 ASP A 40 -6.693 -6.625 -0.847 1.00 0.00 O ATOM 558 OD2 ASP A 40 -4.490 -6.915 -0.720 1.00 0.00 O ATOM 0 H ASP A 40 -5.267 -4.161 -4.446 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.183 -4.599 -2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.679 -6.307 -3.402 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.288 -5.488 -2.720 1.00 0.00 H new ATOM 563 N CYS A 41 -6.299 -3.575 -0.255 1.00 0.00 N ATOM 564 CA CYS A 41 -5.998 -2.754 0.910 1.00 0.00 C ATOM 565 C CYS A 41 -6.049 -3.600 2.180 1.00 0.00 C ATOM 566 O CYS A 41 -6.526 -4.732 2.177 1.00 0.00 O ATOM 567 CB CYS A 41 -6.995 -1.592 1.010 1.00 0.00 C ATOM 568 SG CYS A 41 -6.521 -0.244 2.107 1.00 0.00 S ATOM 0 H CYS A 41 -7.044 -4.252 -0.093 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.993 -2.347 0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.151 -1.185 0.011 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.953 -1.988 1.345 1.00 0.00 H new ATOM 573 N HIS A 42 -5.575 -3.009 3.270 1.00 0.00 N ATOM 574 CA HIS A 42 -5.568 -3.517 4.627 1.00 0.00 C ATOM 575 C HIS A 42 -5.906 -2.294 5.479 1.00 0.00 C ATOM 576 O HIS A 42 -5.266 -1.258 5.283 1.00 0.00 O ATOM 577 CB HIS A 42 -4.177 -4.063 4.973 1.00 0.00 C ATOM 578 CG HIS A 42 -4.101 -4.728 6.320 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.558 -4.110 7.484 1.00 0.00 N ATOM 580 CD2 HIS A 42 -3.630 -5.971 6.638 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.381 -5.021 8.446 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.831 -6.156 7.989 1.00 0.00 N ATOM 0 H HIS A 42 -5.150 -2.083 3.217 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.270 -4.336 4.785 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.878 -4.779 4.208 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.458 -3.244 4.942 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.182 -6.679 5.956 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.651 -4.861 9.479 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.606 -6.989 8.533 1.00 0.00 H new ATOM 590 N PRO A 43 -6.889 -2.352 6.388 1.00 0.00 N ATOM 591 CA PRO A 43 -7.281 -1.194 7.178 1.00 0.00 C ATOM 592 C PRO A 43 -6.114 -0.610 7.983 1.00 0.00 C ATOM 593 O PRO A 43 -6.146 0.573 8.310 1.00 0.00 O ATOM 594 CB PRO A 43 -8.437 -1.669 8.064 1.00 0.00 C ATOM 595 CG PRO A 43 -8.229 -3.181 8.152 1.00 0.00 C ATOM 596 CD PRO A 43 -7.646 -3.526 6.784 1.00 0.00 C ATOM 0 HA PRO A 43 -7.595 -0.368 6.539 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.405 -1.202 9.049 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.404 -1.423 7.626 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.548 -3.449 8.960 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.165 -3.707 8.336 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.007 -4.407 6.839 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.434 -3.748 6.064 1.00 0.00 H new ATOM 604 N ALA A 44 -5.072 -1.401 8.272 1.00 0.00 N ATOM 605 CA ALA A 44 -3.897 -0.935 8.994 1.00 0.00 C ATOM 606 C ALA A 44 -2.747 -0.608 8.034 1.00 0.00 C ATOM 607 O ALA A 44 -1.585 -0.697 8.427 1.00 0.00 O ATOM 608 CB ALA A 44 -3.479 -1.980 10.033 1.00 0.00 C ATOM 0 H ALA A 44 -5.027 -2.385 8.007 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.150 -0.011 9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.599 -1.627 10.571 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.295 -2.139 10.738 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.245 -2.919 9.531 1.00 0.00 H new ATOM 614 N SER A 45 -3.043 -0.224 6.784 1.00 0.00 N ATOM 615 CA SER A 45 -2.039 0.218 5.829 1.00 0.00 C ATOM 616 C SER A 45 -1.413 1.528 6.321 1.00 0.00 C ATOM 617 O SER A 45 -1.817 2.603 5.886 1.00 0.00 O ATOM 618 CB SER A 45 -2.690 0.430 4.461 1.00 0.00 C ATOM 619 OG SER A 45 -2.995 -0.809 3.846 1.00 0.00 O ATOM 0 H SER A 45 -3.993 -0.214 6.413 1.00 0.00 H new ATOM 0 HA SER A 45 -1.261 -0.540 5.737 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.601 1.017 4.575 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.020 1.003 3.820 1.00 0.00 H new ATOM 0 HG SER A 45 -3.783 -1.203 4.276 1.00 0.00 H new ATOM 625 N HIS A 46 -0.422 1.408 7.210 1.00 0.00 N ATOM 626 CA HIS A 46 0.327 2.463 7.897 1.00 0.00 C ATOM 627 C HIS A 46 0.314 3.782 7.125 1.00 0.00 C ATOM 628 O HIS A 46 0.829 3.868 6.006 1.00 0.00 O ATOM 629 CB HIS A 46 1.762 2.032 8.233 1.00 0.00 C ATOM 630 CG HIS A 46 1.977 0.549 8.171 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.491 -0.103 7.048 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.413 -0.365 9.002 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.226 -1.397 7.267 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.512 -1.596 8.387 1.00 0.00 N ATOM 0 H HIS A 46 -0.094 0.484 7.492 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.191 2.635 8.840 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.449 2.519 7.541 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.013 2.385 9.233 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.969 -0.165 9.966 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.551 -2.194 6.614 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.122 -2.479 8.716 1.00 0.00 H new ATOM 642 N LYS A 47 -0.214 4.806 7.783 1.00 0.00 N ATOM 643 CA LYS A 47 -0.598 6.112 7.248 1.00 0.00 C ATOM 644 C LYS A 47 0.505 7.038 6.709 1.00 0.00 C ATOM 645 O LYS A 47 0.246 8.224 6.534 1.00 0.00 O ATOM 646 CB LYS A 47 -1.494 6.808 8.293 1.00 0.00 C ATOM 647 CG LYS A 47 -0.910 6.901 9.715 1.00 0.00 C ATOM 648 CD LYS A 47 0.511 7.474 9.734 1.00 0.00 C ATOM 649 CE LYS A 47 0.965 7.828 11.152 1.00 0.00 C ATOM 650 NZ LYS A 47 2.326 8.393 11.138 1.00 0.00 N ATOM 0 H LYS A 47 -0.401 4.743 8.784 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.131 5.897 6.322 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.713 7.817 7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.443 6.275 8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.558 7.526 10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.903 5.909 10.166 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.201 6.749 9.303 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.552 8.365 9.107 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.273 8.546 11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.942 6.937 11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.615 8.626 12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.987 7.697 10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.338 9.255 10.557 1.00 0.00 H new ATOM 664 N ILE A 48 1.689 6.499 6.400 1.00 0.00 N ATOM 665 CA ILE A 48 2.865 7.197 5.873 1.00 0.00 C ATOM 666 C ILE A 48 3.416 8.243 6.873 1.00 0.00 C ATOM 667 O ILE A 48 2.656 8.880 7.598 1.00 0.00 O ATOM 668 CB ILE A 48 2.538 7.785 4.475 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.389 6.648 3.448 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.549 8.824 3.959 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.904 7.113 2.071 1.00 0.00 C ATOM 0 H ILE A 48 1.862 5.501 6.519 1.00 0.00 H new ATOM 0 HA ILE A 48 3.678 6.482 5.744 1.00 0.00 H new ATOM 0 HB ILE A 48 1.599 8.324 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.350 6.147 3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.689 5.909 3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.237 9.178 2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.592 9.665 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.535 8.366 3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.825 6.254 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.928 7.587 2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.614 7.829 1.658 1.00 0.00 H new ATOM 683 N PRO A 49 4.742 8.450 6.951 1.00 0.00 N ATOM 684 CA PRO A 49 5.801 7.659 6.348 1.00 0.00 C ATOM 685 C PRO A 49 6.117 6.481 7.273 1.00 0.00 C ATOM 686 O PRO A 49 6.261 6.660 8.481 1.00 0.00 O ATOM 687 CB PRO A 49 6.991 8.615 6.251 1.00 0.00 C ATOM 688 CG PRO A 49 6.823 9.513 7.478 1.00 0.00 C ATOM 689 CD PRO A 49 5.305 9.586 7.667 1.00 0.00 C ATOM 0 HA PRO A 49 5.540 7.251 5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.940 8.079 6.272 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.970 9.191 5.326 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.316 9.091 8.354 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.254 10.500 7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.044 9.546 8.724 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.911 10.524 7.277 1.00 0.00 H new ATOM 697 N PHE A 50 6.241 5.276 6.720 1.00 0.00 N ATOM 698 CA PHE A 50 6.571 4.092 7.493 1.00 0.00 C ATOM 699 C PHE A 50 8.069 3.841 7.340 1.00 0.00 C ATOM 700 O PHE A 50 8.522 3.212 6.381 1.00 0.00 O ATOM 701 CB PHE A 50 5.731 2.897 7.034 1.00 0.00 C ATOM 702 CG PHE A 50 5.764 1.744 8.018 1.00 0.00 C ATOM 703 CD1 PHE A 50 5.009 1.813 9.203 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.630 0.656 7.808 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.057 0.760 10.133 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.698 -0.386 8.750 1.00 0.00 C ATOM 707 CZ PHE A 50 5.897 -0.343 9.903 1.00 0.00 C ATOM 0 H PHE A 50 6.115 5.099 5.724 1.00 0.00 H new ATOM 0 HA PHE A 50 6.339 4.238 8.548 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.699 3.217 6.891 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.095 2.553 6.066 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.391 2.677 9.399 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.245 0.621 6.921 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.448 0.799 11.024 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.366 -1.219 8.587 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.927 -1.157 10.612 1.00 0.00 H new ATOM 717 N SER A 51 8.844 4.373 8.287 1.00 0.00 N ATOM 718 CA SER A 51 10.293 4.270 8.337 1.00 0.00 C ATOM 719 C SER A 51 10.761 2.853 8.701 1.00 0.00 C ATOM 720 O SER A 51 11.532 2.681 9.642 1.00 0.00 O ATOM 721 CB SER A 51 10.806 5.301 9.349 1.00 0.00 C ATOM 722 OG SER A 51 10.160 6.543 9.133 1.00 0.00 O ATOM 0 H SER A 51 8.459 4.906 9.067 1.00 0.00 H new ATOM 0 HA SER A 51 10.703 4.475 7.348 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.617 4.953 10.365 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.885 5.419 9.248 1.00 0.00 H new ATOM 0 HG SER A 51 10.488 7.200 9.782 1.00 0.00 H new ATOM 728 N GLY A 52 10.325 1.838 7.954 1.00 0.00 N ATOM 729 CA GLY A 52 10.676 0.449 8.187 1.00 0.00 C ATOM 730 C GLY A 52 10.112 -0.405 7.058 1.00 0.00 C ATOM 731 O GLY A 52 9.471 0.116 6.148 1.00 0.00 O ATOM 0 H GLY A 52 9.705 1.968 7.155 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.759 0.338 8.237 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.277 0.116 9.145 1.00 0.00 H new ATOM 735 N GLN A 53 10.332 -1.718 7.123 1.00 0.00 N ATOM 736 CA GLN A 53 9.832 -2.643 6.122 1.00 0.00 C ATOM 737 C GLN A 53 8.360 -2.894 6.431 1.00 0.00 C ATOM 738 O GLN A 53 8.049 -3.534 7.433 1.00 0.00 O ATOM 739 CB GLN A 53 10.625 -3.959 6.167 1.00 0.00 C ATOM 740 CG GLN A 53 12.040 -3.853 5.580 1.00 0.00 C ATOM 741 CD GLN A 53 13.012 -3.106 6.489 1.00 0.00 C ATOM 742 OE1 GLN A 53 13.621 -3.695 7.374 1.00 0.00 O ATOM 743 NE2 GLN A 53 13.172 -1.804 6.286 1.00 0.00 N ATOM 0 H GLN A 53 10.862 -2.164 7.872 1.00 0.00 H new ATOM 0 HA GLN A 53 9.946 -2.226 5.121 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.696 -4.294 7.202 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.072 -4.724 5.621 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.425 -4.855 5.393 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.990 -3.345 4.617 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.653 -1.336 5.543 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.814 -1.271 6.873 1.00 0.00 H new ATOM 752 N ARG A 54 7.449 -2.361 5.611 1.00 0.00 N ATOM 753 CA ARG A 54 6.023 -2.567 5.815 1.00 0.00 C ATOM 754 C ARG A 54 5.717 -4.062 5.825 1.00 0.00 C ATOM 755 O ARG A 54 5.889 -4.741 4.814 1.00 0.00 O ATOM 756 CB ARG A 54 5.208 -1.877 4.720 1.00 0.00 C ATOM 757 CG ARG A 54 5.235 -0.358 4.880 1.00 0.00 C ATOM 758 CD ARG A 54 4.368 0.278 3.798 1.00 0.00 C ATOM 759 NE ARG A 54 4.235 1.723 4.003 1.00 0.00 N ATOM 760 CZ ARG A 54 3.138 2.340 4.463 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.135 1.658 5.015 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.036 3.662 4.403 1.00 0.00 N ATOM 0 H ARG A 54 7.680 -1.785 4.802 1.00 0.00 H new ATOM 0 HA ARG A 54 5.745 -2.130 6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.606 -2.149 3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.177 -2.230 4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.868 -0.078 5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.259 0.009 4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.806 0.086 2.819 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.381 -0.184 3.802 1.00 0.00 H new ATOM 0 HE ARG A 54 5.042 2.305 3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.192 0.643 5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.311 2.151 5.358 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.795 4.215 4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.198 4.125 4.755 1.00 0.00 H new ATOM 776 N MET A 55 5.272 -4.568 6.977 1.00 0.00 N ATOM 777 CA MET A 55 4.898 -5.962 7.136 1.00 0.00 C ATOM 778 C MET A 55 3.742 -6.268 6.185 1.00 0.00 C ATOM 779 O MET A 55 3.758 -7.269 5.473 1.00 0.00 O ATOM 780 CB MET A 55 4.512 -6.262 8.594 1.00 0.00 C ATOM 781 CG MET A 55 5.641 -5.950 9.587 1.00 0.00 C ATOM 782 SD MET A 55 5.644 -4.270 10.272 1.00 0.00 S ATOM 783 CE MET A 55 7.361 -4.160 10.822 1.00 0.00 C ATOM 0 H MET A 55 5.163 -4.014 7.826 1.00 0.00 H new ATOM 0 HA MET A 55 5.747 -6.601 6.891 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.630 -5.678 8.859 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.237 -7.313 8.683 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.580 -6.659 10.413 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.595 -6.121 9.089 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.537 -3.183 11.272 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.558 -4.939 11.558 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.026 -4.292 9.968 1.00 0.00 H new ATOM 793 N HIS A 56 2.736 -5.389 6.183 1.00 0.00 N ATOM 794 CA HIS A 56 1.581 -5.530 5.317 1.00 0.00 C ATOM 795 C HIS A 56 1.960 -5.260 3.865 1.00 0.00 C ATOM 796 O HIS A 56 2.799 -4.414 3.564 1.00 0.00 O ATOM 797 CB HIS A 56 0.439 -4.616 5.775 1.00 0.00 C ATOM 798 CG HIS A 56 -0.029 -4.911 7.175 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.141 -3.910 8.140 1.00 0.00 N ATOM 800 CD2 HIS A 56 -0.385 -6.109 7.734 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.606 -4.538 9.223 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.741 -5.860 9.042 1.00 0.00 N ATOM 0 H HIS A 56 2.707 -4.565 6.783 1.00 0.00 H new ATOM 0 HA HIS A 56 1.227 -6.559 5.384 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.768 -3.578 5.719 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.401 -4.722 5.088 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.387 -7.070 7.242 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.848 -4.034 10.147 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.046 -6.544 9.734 1.00 0.00 H new ATOM 810 N HIS A 57 1.305 -5.997 2.970 1.00 0.00 N ATOM 811 CA HIS A 57 1.536 -5.952 1.537 1.00 0.00 C ATOM 812 C HIS A 57 1.043 -4.649 0.915 1.00 0.00 C ATOM 813 O HIS A 57 1.597 -4.175 -0.073 1.00 0.00 O ATOM 814 CB HIS A 57 0.777 -7.127 0.901 1.00 0.00 C ATOM 815 CG HIS A 57 1.434 -7.740 -0.297 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.347 -9.110 -0.523 1.00 0.00 N ATOM 817 CD2 HIS A 57 2.210 -7.177 -1.268 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.108 -9.321 -1.596 1.00 0.00 C ATOM 819 NE2 HIS A 57 2.674 -8.201 -2.065 1.00 0.00 N ATOM 0 H HIS A 57 0.577 -6.661 3.236 1.00 0.00 H new ATOM 0 HA HIS A 57 2.609 -6.016 1.355 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.641 -7.901 1.656 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.217 -6.783 0.614 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.421 -6.125 -1.389 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.254 -10.294 -2.042 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.318 -8.122 -2.852 1.00 0.00 H new ATOM 827 N THR A 58 -0.023 -4.085 1.481 1.00 0.00 N ATOM 828 CA THR A 58 -0.728 -2.963 0.900 1.00 0.00 C ATOM 829 C THR A 58 -0.309 -1.641 1.530 1.00 0.00 C ATOM 830 O THR A 58 0.334 -1.607 2.580 1.00 0.00 O ATOM 831 CB THR A 58 -2.229 -3.221 1.073 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.576 -3.214 2.446 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.612 -4.597 0.506 1.00 0.00 C ATOM 0 H THR A 58 -0.419 -4.404 2.365 1.00 0.00 H new ATOM 0 HA THR A 58 -0.481 -2.876 -0.158 1.00 0.00 H new ATOM 0 HB THR A 58 -2.759 -2.432 0.540 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.661 -2.289 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.681 -4.760 0.639 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.368 -4.634 -0.556 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.058 -5.374 1.032 1.00 0.00 H new ATOM 841 N CYS A 59 -0.692 -0.543 0.875 1.00 0.00 N ATOM 842 CA CYS A 59 -0.380 0.809 1.303 1.00 0.00 C ATOM 843 C CYS A 59 -1.631 1.668 1.254 1.00 0.00 C ATOM 844 O CYS A 59 -2.594 1.299 0.581 1.00 0.00 O ATOM 845 CB CYS A 59 0.744 1.347 0.432 1.00 0.00 C ATOM 846 SG CYS A 59 2.315 0.800 1.111 1.00 0.00 S ATOM 0 H CYS A 59 -1.239 -0.577 0.015 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.036 0.822 2.337 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.631 0.991 -0.592 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.706 2.436 0.397 1.00 0.00 H new ATOM 851 N PRO A 60 -1.645 2.789 1.994 1.00 0.00 N ATOM 852 CA PRO A 60 -2.834 3.603 2.104 1.00 0.00 C ATOM 853 C PRO A 60 -3.227 4.169 0.746 1.00 0.00 C ATOM 854 O PRO A 60 -2.377 4.480 -0.088 1.00 0.00 O ATOM 855 CB PRO A 60 -2.554 4.670 3.159 1.00 0.00 C ATOM 856 CG PRO A 60 -1.035 4.683 3.304 1.00 0.00 C ATOM 857 CD PRO A 60 -0.541 3.344 2.763 1.00 0.00 C ATOM 0 HA PRO A 60 -3.697 3.018 2.423 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.930 5.644 2.846 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.040 4.429 4.104 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.598 5.512 2.747 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.745 4.812 4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.342 3.478 2.137 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.257 2.676 3.576 1.00 0.00 H new ATOM 865 N CYS A 61 -4.536 4.250 0.530 1.00 0.00 N ATOM 866 CA CYS A 61 -5.137 4.698 -0.710 1.00 0.00 C ATOM 867 C CYS A 61 -4.844 6.181 -0.942 1.00 0.00 C ATOM 868 O CYS A 61 -4.646 6.941 0.006 1.00 0.00 O ATOM 869 CB CYS A 61 -6.648 4.446 -0.668 1.00 0.00 C ATOM 870 SG CYS A 61 -7.221 2.871 0.010 1.00 0.00 S ATOM 0 H CYS A 61 -5.225 3.997 1.239 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.707 4.136 -1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.105 5.247 -0.087 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.030 4.532 -1.685 1.00 0.00 H new ATOM 875 N ALA A 62 -4.828 6.593 -2.210 1.00 0.00 N ATOM 876 CA ALA A 62 -4.595 7.963 -2.627 1.00 0.00 C ATOM 877 C ALA A 62 -5.582 8.887 -1.901 1.00 0.00 C ATOM 878 O ALA A 62 -6.777 8.584 -1.929 1.00 0.00 O ATOM 879 CB ALA A 62 -4.786 8.060 -4.142 1.00 0.00 C ATOM 0 H ALA A 62 -4.982 5.958 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.579 8.268 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.613 9.086 -4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.078 7.398 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.803 7.765 -4.400 1.00 0.00 H new ATOM 885 N PRO A 63 -5.116 9.975 -1.256 1.00 0.00 N ATOM 886 CA PRO A 63 -5.928 10.944 -0.517 1.00 0.00 C ATOM 887 C PRO A 63 -7.167 11.453 -1.261 1.00 0.00 C ATOM 888 O PRO A 63 -7.175 12.534 -1.844 1.00 0.00 O ATOM 889 CB PRO A 63 -4.973 12.071 -0.129 1.00 0.00 C ATOM 890 CG PRO A 63 -3.695 11.280 0.110 1.00 0.00 C ATOM 891 CD PRO A 63 -3.707 10.274 -1.037 1.00 0.00 C ATOM 0 HA PRO A 63 -6.368 10.460 0.355 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.861 12.811 -0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.303 12.606 0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.812 11.918 0.080 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.699 10.787 1.082 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.247 10.691 -1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.147 9.375 -0.780 1.00 0.00 H new ATOM 899 N ASN A 64 -8.217 10.644 -1.183 1.00 0.00 N ATOM 900 CA ASN A 64 -9.534 10.790 -1.797 1.00 0.00 C ATOM 901 C ASN A 64 -10.268 9.462 -1.624 1.00 0.00 C ATOM 902 O ASN A 64 -11.410 9.421 -1.174 1.00 0.00 O ATOM 903 CB ASN A 64 -9.422 11.126 -3.293 1.00 0.00 C ATOM 904 CG ASN A 64 -10.759 10.945 -4.002 1.00 0.00 C ATOM 905 OD1 ASN A 64 -11.023 9.912 -4.607 1.00 0.00 O ATOM 906 ND2 ASN A 64 -11.610 11.959 -3.927 1.00 0.00 N ATOM 0 H ASN A 64 -8.163 9.785 -0.635 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.072 11.608 -1.318 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.081 12.154 -3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.672 10.485 -3.757 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.521 11.895 -4.382 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.354 12.803 -3.414 1.00 0.00 H new ATOM 913 N LEU A 65 -9.592 8.376 -2.000 1.00 0.00 N ATOM 914 CA LEU A 65 -10.078 7.024 -1.895 1.00 0.00 C ATOM 915 C LEU A 65 -10.153 6.592 -0.426 1.00 0.00 C ATOM 916 O LEU A 65 -9.558 7.229 0.445 1.00 0.00 O ATOM 917 CB LEU A 65 -9.083 6.132 -2.639 1.00 0.00 C ATOM 918 CG LEU A 65 -8.855 6.457 -4.122 1.00 0.00 C ATOM 919 CD1 LEU A 65 -7.792 5.506 -4.670 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.127 6.260 -4.945 1.00 0.00 C ATOM 0 H LEU A 65 -8.655 8.430 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.079 6.946 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.123 6.187 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.426 5.100 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.546 7.500 -4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.618 5.723 -5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.864 5.638 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.135 4.477 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.926 6.500 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.454 5.223 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.911 6.916 -4.567 1.00 0.00 H new ATOM 932 N ALA A 66 -10.848 5.483 -0.162 1.00 0.00 N ATOM 933 CA ALA A 66 -11.031 4.900 1.157 1.00 0.00 C ATOM 934 C ALA A 66 -10.796 3.386 1.095 1.00 0.00 C ATOM 935 O ALA A 66 -11.108 2.730 0.100 1.00 0.00 O ATOM 936 CB ALA A 66 -12.436 5.225 1.666 1.00 0.00 C ATOM 0 H ALA A 66 -11.315 4.950 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.307 5.323 1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.575 4.788 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.560 6.306 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.176 4.812 0.980 1.00 0.00 H new ATOM 942 N CYS A 67 -10.224 2.847 2.176 1.00 0.00 N ATOM 943 CA CYS A 67 -9.902 1.436 2.354 1.00 0.00 C ATOM 944 C CYS A 67 -11.150 0.719 2.874 1.00 0.00 C ATOM 945 O CYS A 67 -11.322 0.611 4.088 1.00 0.00 O ATOM 946 CB CYS A 67 -8.762 1.346 3.376 1.00 0.00 C ATOM 947 SG CYS A 67 -8.021 -0.282 3.555 1.00 0.00 S ATOM 0 H CYS A 67 -9.963 3.411 2.985 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.592 0.970 1.419 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.983 2.053 3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.140 1.664 4.347 1.00 0.00 H new ATOM 952 N VAL A 68 -12.034 0.252 1.987 1.00 0.00 N ATOM 953 CA VAL A 68 -13.328 -0.310 2.382 1.00 0.00 C ATOM 954 C VAL A 68 -13.465 -1.777 1.980 1.00 0.00 C ATOM 955 O VAL A 68 -12.834 -2.252 1.039 1.00 0.00 O ATOM 956 CB VAL A 68 -14.469 0.553 1.812 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.857 0.120 2.309 1.00 0.00 C ATOM 958 CG2 VAL A 68 -14.269 2.025 2.195 1.00 0.00 C ATOM 0 H VAL A 68 -11.873 0.253 0.980 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.391 -0.290 3.470 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.432 0.419 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.618 0.767 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.044 -0.912 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.895 0.198 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.084 2.622 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.260 2.121 3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.321 2.380 1.792 1.00 0.00 H new ATOM 968 N GLN A 69 -14.289 -2.500 2.738 1.00 0.00 N ATOM 969 CA GLN A 69 -14.592 -3.904 2.537 1.00 0.00 C ATOM 970 C GLN A 69 -15.266 -4.172 1.193 1.00 0.00 C ATOM 971 O GLN A 69 -16.110 -3.400 0.745 1.00 0.00 O ATOM 972 CB GLN A 69 -15.517 -4.370 3.672 1.00 0.00 C ATOM 973 CG GLN A 69 -14.729 -4.955 4.847 1.00 0.00 C ATOM 974 CD GLN A 69 -14.449 -6.436 4.604 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.360 -7.256 4.668 1.00 0.00 O ATOM 976 NE2 GLN A 69 -13.217 -6.800 4.270 1.00 0.00 N ATOM 0 H GLN A 69 -14.780 -2.102 3.539 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.652 -4.455 2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -16.117 -3.529 4.020 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.210 -5.120 3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.790 -4.415 4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.293 -4.830 5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.474 -6.102 4.223 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.013 -7.777 4.061 1.00 0.00 H new ATOM 985 N THR A 70 -14.899 -5.303 0.588 1.00 0.00 N ATOM 986 CA THR A 70 -15.508 -5.851 -0.617 1.00 0.00 C ATOM 987 C THR A 70 -16.066 -7.238 -0.285 1.00 0.00 C ATOM 988 O THR A 70 -17.133 -7.620 -0.765 1.00 0.00 O ATOM 989 CB THR A 70 -14.509 -5.860 -1.781 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.333 -6.574 -1.461 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.138 -4.424 -2.158 1.00 0.00 C ATOM 0 H THR A 70 -14.138 -5.883 0.942 1.00 0.00 H new ATOM 0 HA THR A 70 -16.334 -5.223 -0.951 1.00 0.00 H new ATOM 0 HB THR A 70 -14.991 -6.359 -2.622 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.055 -6.354 -0.547 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.428 -4.437 -2.985 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.035 -3.883 -2.458 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.686 -3.928 -1.299 1.00 0.00 H new ATOM 999 N SER A 71 -15.354 -8.003 0.547 1.00 0.00 N ATOM 1000 CA SER A 71 -15.779 -9.290 1.080 1.00 0.00 C ATOM 1001 C SER A 71 -14.969 -9.497 2.365 1.00 0.00 C ATOM 1002 O SER A 71 -13.970 -8.794 2.534 1.00 0.00 O ATOM 1003 CB SER A 71 -15.543 -10.419 0.065 1.00 0.00 C ATOM 1004 OG SER A 71 -15.829 -10.006 -1.257 1.00 0.00 O ATOM 0 H SER A 71 -14.429 -7.727 0.878 1.00 0.00 H new ATOM 0 HA SER A 71 -16.849 -9.305 1.287 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.507 -10.751 0.126 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.168 -11.275 0.322 1.00 0.00 H new ATOM 0 HG SER A 71 -15.666 -10.749 -1.874 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.348 -10.423 3.263 1.00 0.00 N ATOM 1011 CA PRO A 72 -14.630 -10.670 4.508 1.00 0.00 C ATOM 1012 C PRO A 72 -13.115 -10.690 4.288 1.00 0.00 C ATOM 1013 O PRO A 72 -12.642 -11.379 3.387 1.00 0.00 O ATOM 1014 CB PRO A 72 -15.163 -12.008 5.025 1.00 0.00 C ATOM 1015 CG PRO A 72 -16.603 -12.005 4.510 1.00 0.00 C ATOM 1016 CD PRO A 72 -16.468 -11.340 3.139 1.00 0.00 C ATOM 0 HA PRO A 72 -14.795 -9.876 5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.593 -12.851 4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -15.120 -12.070 6.112 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.007 -13.014 4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.267 -11.445 5.168 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.285 -12.080 2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.381 -10.810 2.868 1.00 0.00 H new ATOM 1024 N LYS A 73 -12.374 -9.869 5.041 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.922 -9.698 4.955 1.00 0.00 C ATOM 1026 C LYS A 73 -10.482 -8.940 3.689 1.00 0.00 C ATOM 1027 O LYS A 73 -9.468 -8.246 3.717 1.00 0.00 O ATOM 1028 CB LYS A 73 -10.149 -11.023 5.106 1.00 0.00 C ATOM 1029 CG LYS A 73 -10.290 -11.713 6.473 1.00 0.00 C ATOM 1030 CD LYS A 73 -11.641 -12.415 6.678 1.00 0.00 C ATOM 1031 CE LYS A 73 -11.592 -13.409 7.844 1.00 0.00 C ATOM 1032 NZ LYS A 73 -11.266 -12.747 9.120 1.00 0.00 N ATOM 0 H LYS A 73 -12.792 -9.279 5.760 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.660 -9.076 5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.488 -11.712 4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.092 -10.831 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.490 -12.445 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.154 -10.971 7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.413 -11.670 6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.921 -12.939 5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.555 -13.912 7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.848 -14.178 7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.342 -13.434 9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.295 -12.376 9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.930 -11.964 9.284 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.220 -9.044 2.582 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.896 -8.366 1.340 1.00 0.00 C ATOM 1048 C LYS A 74 -11.298 -6.890 1.411 1.00 0.00 C ATOM 1049 O LYS A 74 -12.442 -6.533 1.114 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.576 -9.065 0.153 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.259 -10.563 0.098 1.00 0.00 C ATOM 1052 CD LYS A 74 -11.771 -11.142 -1.227 1.00 0.00 C ATOM 1053 CE LYS A 74 -11.800 -12.675 -1.196 1.00 0.00 C ATOM 1054 NZ LYS A 74 -10.467 -13.246 -0.928 1.00 0.00 N ATOM 0 H LYS A 74 -12.067 -9.609 2.529 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.817 -8.414 1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.655 -8.927 0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.254 -8.594 -0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.184 -10.722 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.728 -11.077 0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.773 -10.762 -1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.132 -10.805 -2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.499 -13.009 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.170 -13.050 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.509 -14.281 -1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.783 -12.868 -1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.168 -12.992 0.035 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.350 -6.029 1.782 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.519 -4.583 1.764 1.00 0.00 C ATOM 1070 C PHE A 75 -9.859 -4.085 0.482 1.00 0.00 C ATOM 1071 O PHE A 75 -8.825 -4.616 0.084 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.840 -3.924 2.972 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.570 -4.069 4.291 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.414 -5.240 5.053 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -11.252 -2.966 4.842 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -10.991 -5.336 6.330 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.795 -3.047 6.135 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.681 -4.239 6.873 1.00 0.00 C ATOM 0 H PHE A 75 -9.430 -6.325 2.108 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.578 -4.329 1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.842 -4.348 3.081 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.714 -2.862 2.761 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.848 -6.069 4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.357 -2.057 4.269 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.904 -6.253 6.894 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.300 -2.194 6.563 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.123 -4.311 7.856 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.448 -3.084 -0.173 1.00 0.00 N ATOM 1089 CA LYS A 76 -9.907 -2.494 -1.385 1.00 0.00 C ATOM 1090 C LYS A 76 -10.022 -0.974 -1.312 1.00 0.00 C ATOM 1091 O LYS A 76 -10.792 -0.424 -0.519 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.610 -3.046 -2.634 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.503 -4.574 -2.713 1.00 0.00 C ATOM 1094 CD LYS A 76 -10.784 -5.065 -4.137 1.00 0.00 C ATOM 1095 CE LYS A 76 -10.822 -6.596 -4.169 1.00 0.00 C ATOM 1096 NZ LYS A 76 -11.032 -7.096 -5.538 1.00 0.00 N ATOM 0 H LYS A 76 -11.324 -2.659 0.131 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.854 -2.762 -1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.660 -2.754 -2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.168 -2.603 -3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.506 -4.890 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.211 -5.029 -2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.734 -4.663 -4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.013 -4.699 -4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.887 -6.994 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.621 -6.956 -3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.053 -8.136 -5.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.936 -6.735 -5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.256 -6.771 -6.149 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.230 -0.302 -2.145 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.174 1.145 -2.226 1.00 0.00 C ATOM 1112 C CYS A 77 -10.249 1.616 -3.191 1.00 0.00 C ATOM 1113 O CYS A 77 -10.036 1.614 -4.402 1.00 0.00 O ATOM 1114 CB CYS A 77 -7.778 1.577 -2.679 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.533 1.483 -1.375 1.00 0.00 S ATOM 0 H CYS A 77 -8.596 -0.766 -2.796 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.359 1.596 -1.251 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.466 0.949 -3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.826 2.601 -3.050 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.413 1.992 -2.666 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.551 2.439 -3.425 1.00 0.00 C ATOM 1122 C LEU A 78 -12.691 3.954 -3.322 1.00 0.00 C ATOM 1123 O LEU A 78 -12.019 4.601 -2.525 1.00 0.00 O ATOM 1124 CB LEU A 78 -13.774 1.744 -2.833 1.00 0.00 C ATOM 1125 CG LEU A 78 -13.762 0.211 -2.944 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.107 -0.331 -2.446 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -13.529 -0.262 -4.383 1.00 0.00 C ATOM 0 H LEU A 78 -11.583 1.989 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.441 2.194 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.856 2.017 -1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.666 2.123 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.939 -0.165 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.111 -1.418 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.255 -0.037 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.912 0.077 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.529 -1.352 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.324 0.118 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.568 0.111 -4.737 1.00 0.00 H new ATOM 1139 N SER A 79 -13.573 4.525 -4.140 1.00 0.00 N ATOM 1140 CA SER A 79 -13.862 5.950 -4.196 1.00 0.00 C ATOM 1141 C SER A 79 -15.031 6.313 -3.271 1.00 0.00 C ATOM 1142 O SER A 79 -15.732 7.294 -3.512 1.00 0.00 O ATOM 1143 CB SER A 79 -14.155 6.286 -5.664 1.00 0.00 C ATOM 1144 OG SER A 79 -14.908 5.231 -6.246 1.00 0.00 O ATOM 0 H SER A 79 -14.125 3.984 -4.806 1.00 0.00 H new ATOM 0 HA SER A 79 -13.015 6.538 -3.842 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.708 7.223 -5.731 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.222 6.427 -6.210 1.00 0.00 H new ATOM 0 HG SER A 79 -15.098 5.443 -7.184 1.00 0.00 H new ATOM 1150 N LYS A 80 -15.236 5.521 -2.219 1.00 0.00 N ATOM 1151 CA LYS A 80 -16.277 5.638 -1.220 1.00 0.00 C ATOM 1152 C LYS A 80 -15.928 4.594 -0.161 1.00 0.00 C ATOM 1153 O LYS A 80 -15.042 3.767 -0.481 1.00 0.00 O ATOM 1154 CB LYS A 80 -17.665 5.384 -1.831 1.00 0.00 C ATOM 1155 CG LYS A 80 -17.749 4.040 -2.574 1.00 0.00 C ATOM 1156 CD LYS A 80 -19.128 3.802 -3.204 1.00 0.00 C ATOM 1157 CE LYS A 80 -20.229 3.647 -2.147 1.00 0.00 C ATOM 1158 NZ LYS A 80 -21.509 3.255 -2.761 1.00 0.00 N ATOM 1159 OXT LYS A 80 -16.544 4.634 0.924 1.00 0.00 O ATOM 0 H LYS A 80 -14.628 4.723 -2.037 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.325 6.640 -0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -18.415 5.405 -1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.907 6.192 -2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.987 4.011 -3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.526 3.230 -1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.373 4.635 -3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.093 2.906 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.930 2.897 -1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -20.354 4.586 -1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -22.234 3.158 -2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -21.805 3.983 -3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -21.394 2.346 -3.254 1.00 0.00 H new