USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 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 37 SER OG : rot -105:sc= 1.19 USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 0.996 USER MOD Set 2.1: A 70 THR OG1 : rot -38:sc= 1.27 USER MOD Set 2.2: A 71 SER OG : rot -140:sc= 0.57 USER MOD Set 2.3: A 74 LYS NZ :NH3+ 150:sc= 0.51 (180deg=-1.34) USER MOD Set 3.1: A 64 ASN : amide:sc= 1.05 K(o=1.4,f=-0.28) USER MOD Set 3.2: A 80 LYS NZ :NH3+ -153:sc= 0.32 (180deg=-0.0504) USER MOD Set 4.1: A 46 HIS : no HD1:sc= 0.737 K(o=1.7,f=-15!) USER MOD Set 4.2: A 56 HIS : no HD1:sc= 0.998 K(o=1.7,f=-13!) USER MOD Set 5.1: A 45 SER OG : rot 76:sc= 2.07 USER MOD Set 5.2: A 58 THR OG1 : rot 113:sc= 1.19 USER MOD Single : A 12 GLN : amide:sc= 2.58 K(o=2.6,f=-10!) USER MOD Single : A 15 LYS NZ :NH3+ -156:sc= 1.39 (180deg=0.832) USER MOD Single : A 17 THR OG1 : rot -51:sc= 1.12 USER MOD Single : A 22 SER OG : rot 176:sc= 0.886 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0632) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 32 THR OG1 : rot 70:sc= 0.418 USER MOD Single : A 36 THR OG1 : rot -60:sc= 0.996 USER MOD Single : A 42 HIS : no HD1:sc= -0.554 K(o=-0.55,f=-9.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00459 USER MOD Single : A 53 GLN : amide:sc= 0.695 K(o=0.7,f=-0.33) USER MOD Single : A 55 MET CE :methyl 172:sc= 0 (180deg=-0.09) USER MOD Single : A 57 HIS : no HD1:sc= -5.06! C(o=-5.1!,f=-8.2!) USER MOD Single : A 69 GLN : amide:sc= -0.98 X(o=-0.98,f=-0.78) USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0562) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= 0.128 (180deg=0.0236) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 12.859 1.512 -8.173 1.00 0.00 N ATOM 62 CA GLY A 5 12.351 2.176 -6.985 1.00 0.00 C ATOM 63 C GLY A 5 12.376 1.230 -5.790 1.00 0.00 C ATOM 64 O GLY A 5 11.424 1.221 -5.010 1.00 0.00 O ATOM 0 HA2 GLY A 5 12.953 3.059 -6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.332 2.520 -7.162 1.00 0.00 H new ATOM 68 N ALA A 6 13.444 0.432 -5.653 1.00 0.00 N ATOM 69 CA ALA A 6 13.622 -0.477 -4.528 1.00 0.00 C ATOM 70 C ALA A 6 13.784 0.344 -3.249 1.00 0.00 C ATOM 71 O ALA A 6 14.493 1.349 -3.233 1.00 0.00 O ATOM 72 CB ALA A 6 14.831 -1.384 -4.760 1.00 0.00 C ATOM 0 H ALA A 6 14.209 0.404 -6.327 1.00 0.00 H new ATOM 0 HA ALA A 6 12.746 -1.119 -4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.950 -2.057 -3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.678 -1.969 -5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.728 -0.774 -4.868 1.00 0.00 H new ATOM 78 N CYS A 7 13.087 -0.067 -2.193 1.00 0.00 N ATOM 79 CA CYS A 7 13.005 0.631 -0.923 1.00 0.00 C ATOM 80 C CYS A 7 13.000 -0.336 0.275 1.00 0.00 C ATOM 81 O CYS A 7 12.696 -1.519 0.112 1.00 0.00 O ATOM 82 CB CYS A 7 11.733 1.478 -0.999 1.00 0.00 C ATOM 83 SG CYS A 7 11.249 2.201 0.563 1.00 0.00 S ATOM 0 H CYS A 7 12.544 -0.930 -2.204 1.00 0.00 H new ATOM 0 HA CYS A 7 13.882 1.257 -0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.883 2.276 -1.727 1.00 0.00 H new ATOM 0 HB3 CYS A 7 10.917 0.858 -1.369 1.00 0.00 H new ATOM 88 N GLU A 8 13.335 0.174 1.469 1.00 0.00 N ATOM 89 CA GLU A 8 13.316 -0.488 2.759 1.00 0.00 C ATOM 90 C GLU A 8 12.210 0.131 3.636 1.00 0.00 C ATOM 91 O GLU A 8 11.534 -0.600 4.360 1.00 0.00 O ATOM 92 CB GLU A 8 14.682 -0.305 3.424 1.00 0.00 C ATOM 93 CG GLU A 8 15.844 -0.837 2.573 1.00 0.00 C ATOM 94 CD GLU A 8 17.176 -0.342 3.121 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.509 0.823 2.808 1.00 0.00 O ATOM 96 OE2 GLU A 8 17.820 -1.121 3.855 1.00 0.00 O ATOM 0 H GLU A 8 13.651 1.140 1.552 1.00 0.00 H new ATOM 0 HA GLU A 8 13.111 -1.551 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.842 0.754 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.682 -0.816 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.829 -1.927 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.725 -0.511 1.540 1.00 0.00 H new ATOM 103 N ARG A 9 12.043 1.464 3.597 1.00 0.00 N ATOM 104 CA ARG A 9 10.992 2.187 4.319 1.00 0.00 C ATOM 105 C ARG A 9 10.576 3.490 3.614 1.00 0.00 C ATOM 106 O ARG A 9 11.398 4.124 2.948 1.00 0.00 O ATOM 107 CB ARG A 9 11.430 2.473 5.753 1.00 0.00 C ATOM 108 CG ARG A 9 12.796 3.175 5.830 1.00 0.00 C ATOM 109 CD ARG A 9 13.804 2.250 6.509 1.00 0.00 C ATOM 110 NE ARG A 9 13.415 2.042 7.911 1.00 0.00 N ATOM 111 CZ ARG A 9 13.951 1.157 8.758 1.00 0.00 C ATOM 112 NH1 ARG A 9 14.993 0.406 8.388 1.00 0.00 N ATOM 113 NH2 ARG A 9 13.421 1.042 9.979 1.00 0.00 N ATOM 0 H ARG A 9 12.648 2.077 3.051 1.00 0.00 H new ATOM 0 HA ARG A 9 10.115 1.540 4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.679 3.095 6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.476 1.536 6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.141 3.435 4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.707 4.107 6.388 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.845 1.294 5.987 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.803 2.684 6.459 1.00 0.00 H new ATOM 0 HE ARG A 9 12.664 2.629 8.273 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.386 0.505 7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.395 -0.266 9.042 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.626 1.622 10.246 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.812 0.374 10.644 1.00 0.00 H new ATOM 127 N ASP A 10 9.311 3.899 3.809 1.00 0.00 N ATOM 128 CA ASP A 10 8.645 5.059 3.200 1.00 0.00 C ATOM 129 C ASP A 10 9.540 6.281 3.028 1.00 0.00 C ATOM 130 O ASP A 10 9.473 6.944 1.998 1.00 0.00 O ATOM 131 CB ASP A 10 7.442 5.493 4.045 1.00 0.00 C ATOM 132 CG ASP A 10 6.177 4.674 3.860 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.148 3.690 3.087 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.202 5.035 4.551 1.00 0.00 O ATOM 0 H ASP A 10 8.687 3.394 4.438 1.00 0.00 H new ATOM 0 HA ASP A 10 8.348 4.716 2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.727 5.454 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.216 6.534 3.814 1.00 0.00 H new ATOM 139 N LEU A 11 10.334 6.606 4.051 1.00 0.00 N ATOM 140 CA LEU A 11 11.242 7.749 4.058 1.00 0.00 C ATOM 141 C LEU A 11 12.019 7.889 2.744 1.00 0.00 C ATOM 142 O LEU A 11 12.262 9.003 2.286 1.00 0.00 O ATOM 143 CB LEU A 11 12.231 7.624 5.228 1.00 0.00 C ATOM 144 CG LEU A 11 11.583 7.628 6.624 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.678 7.406 7.674 1.00 0.00 C ATOM 146 CD2 LEU A 11 10.868 8.953 6.922 1.00 0.00 C ATOM 0 H LEU A 11 10.362 6.067 4.917 1.00 0.00 H new ATOM 0 HA LEU A 11 10.631 8.644 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.798 6.701 5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.944 8.446 5.172 1.00 0.00 H new ATOM 0 HG LEU A 11 10.839 6.832 6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.233 7.406 8.669 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.165 6.448 7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.415 8.206 7.606 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.425 8.912 7.917 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.586 9.772 6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.084 9.118 6.183 1.00 0.00 H new ATOM 158 N GLN A 12 12.416 6.761 2.150 1.00 0.00 N ATOM 159 CA GLN A 12 13.218 6.706 0.940 1.00 0.00 C ATOM 160 C GLN A 12 12.416 6.961 -0.344 1.00 0.00 C ATOM 161 O GLN A 12 13.015 7.203 -1.390 1.00 0.00 O ATOM 162 CB GLN A 12 13.875 5.322 0.889 1.00 0.00 C ATOM 163 CG GLN A 12 14.626 5.010 2.192 1.00 0.00 C ATOM 164 CD GLN A 12 15.113 3.571 2.212 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.294 2.658 2.250 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.423 3.347 2.216 1.00 0.00 N ATOM 0 H GLN A 12 12.178 5.838 2.513 1.00 0.00 H new ATOM 0 HA GLN A 12 13.957 7.506 0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.113 4.562 0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.567 5.277 0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.475 5.686 2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.970 5.187 3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.075 4.131 2.184 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.777 2.391 2.251 1.00 0.00 H new ATOM 175 N CYS A 13 11.084 6.878 -0.290 1.00 0.00 N ATOM 176 CA CYS A 13 10.206 7.023 -1.447 1.00 0.00 C ATOM 177 C CYS A 13 9.577 8.411 -1.499 1.00 0.00 C ATOM 178 O CYS A 13 9.510 9.121 -0.498 1.00 0.00 O ATOM 179 CB CYS A 13 9.092 5.971 -1.385 1.00 0.00 C ATOM 180 SG CYS A 13 9.615 4.272 -1.685 1.00 0.00 S ATOM 0 H CYS A 13 10.578 6.704 0.579 1.00 0.00 H new ATOM 0 HA CYS A 13 10.809 6.883 -2.344 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.623 6.021 -0.402 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.328 6.232 -2.117 1.00 0.00 H new ATOM 185 N GLY A 14 9.097 8.804 -2.683 1.00 0.00 N ATOM 186 CA GLY A 14 8.379 10.057 -2.850 1.00 0.00 C ATOM 187 C GLY A 14 7.057 9.935 -2.093 1.00 0.00 C ATOM 188 O GLY A 14 6.362 8.927 -2.238 1.00 0.00 O ATOM 0 H GLY A 14 9.197 8.263 -3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.966 10.890 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.199 10.257 -3.906 1.00 0.00 H new ATOM 192 N LYS A 15 6.663 10.957 -1.328 1.00 0.00 N ATOM 193 CA LYS A 15 5.485 10.900 -0.461 1.00 0.00 C ATOM 194 C LYS A 15 4.132 10.990 -1.190 1.00 0.00 C ATOM 195 O LYS A 15 3.166 11.532 -0.659 1.00 0.00 O ATOM 196 CB LYS A 15 5.640 11.921 0.678 1.00 0.00 C ATOM 197 CG LYS A 15 6.969 11.779 1.445 1.00 0.00 C ATOM 198 CD LYS A 15 7.173 10.370 2.027 1.00 0.00 C ATOM 199 CE LYS A 15 8.448 10.263 2.871 1.00 0.00 C ATOM 200 NZ LYS A 15 9.661 10.438 2.049 1.00 0.00 N ATOM 0 H LYS A 15 7.155 11.850 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 15 5.450 9.898 -0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.572 12.928 0.266 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.811 11.805 1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.797 12.014 0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.996 12.509 2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.312 10.106 2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.218 9.647 1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.429 11.018 3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.479 9.291 3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.467 9.977 2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.512 10.008 1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.860 11.452 1.936 1.00 0.00 H new ATOM 214 N GLY A 16 4.065 10.427 -2.398 1.00 0.00 N ATOM 215 CA GLY A 16 2.862 10.175 -3.181 1.00 0.00 C ATOM 216 C GLY A 16 2.787 8.664 -3.462 1.00 0.00 C ATOM 217 O GLY A 16 1.976 8.196 -4.260 1.00 0.00 O ATOM 0 H GLY A 16 4.906 10.116 -2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.977 10.506 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.891 10.736 -4.115 1.00 0.00 H new ATOM 221 N THR A 17 3.673 7.890 -2.830 1.00 0.00 N ATOM 222 CA THR A 17 3.773 6.455 -2.939 1.00 0.00 C ATOM 223 C THR A 17 4.090 5.962 -1.520 1.00 0.00 C ATOM 224 O THR A 17 4.273 6.789 -0.624 1.00 0.00 O ATOM 225 CB THR A 17 4.918 6.119 -3.925 1.00 0.00 C ATOM 226 OG1 THR A 17 6.174 6.394 -3.342 1.00 0.00 O ATOM 227 CG2 THR A 17 4.877 6.917 -5.235 1.00 0.00 C ATOM 0 H THR A 17 4.372 8.281 -2.198 1.00 0.00 H new ATOM 0 HA THR A 17 2.865 5.982 -3.315 1.00 0.00 H new ATOM 0 HB THR A 17 4.778 5.061 -4.148 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.172 7.302 -2.974 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.713 6.621 -5.868 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.940 6.716 -5.754 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.948 7.982 -5.015 1.00 0.00 H new ATOM 235 N CYS A 18 4.173 4.650 -1.302 1.00 0.00 N ATOM 236 CA CYS A 18 4.590 4.066 -0.036 1.00 0.00 C ATOM 237 C CYS A 18 5.484 2.860 -0.330 1.00 0.00 C ATOM 238 O CYS A 18 5.426 2.280 -1.416 1.00 0.00 O ATOM 239 CB CYS A 18 3.392 3.719 0.852 1.00 0.00 C ATOM 240 SG CYS A 18 2.975 1.965 0.905 1.00 0.00 S ATOM 0 H CYS A 18 3.948 3.955 -2.014 1.00 0.00 H new ATOM 0 HA CYS A 18 5.165 4.794 0.536 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.598 4.060 1.866 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.523 4.275 0.499 1.00 0.00 H new ATOM 245 N CYS A 19 6.321 2.491 0.633 1.00 0.00 N ATOM 246 CA CYS A 19 7.320 1.445 0.488 1.00 0.00 C ATOM 247 C CYS A 19 6.741 0.058 0.766 1.00 0.00 C ATOM 248 O CYS A 19 6.974 -0.509 1.831 1.00 0.00 O ATOM 249 CB CYS A 19 8.425 1.795 1.469 1.00 0.00 C ATOM 250 SG CYS A 19 9.907 0.808 1.325 1.00 0.00 S ATOM 0 H CYS A 19 6.322 2.923 1.557 1.00 0.00 H new ATOM 0 HA CYS A 19 7.693 1.398 -0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.691 2.843 1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.036 1.693 2.482 1.00 0.00 H new ATOM 255 N ALA A 20 5.968 -0.491 -0.174 1.00 0.00 N ATOM 256 CA ALA A 20 5.297 -1.784 -0.015 1.00 0.00 C ATOM 257 C ALA A 20 6.146 -2.899 -0.614 1.00 0.00 C ATOM 258 O ALA A 20 6.942 -2.646 -1.505 1.00 0.00 O ATOM 259 CB ALA A 20 3.903 -1.755 -0.644 1.00 0.00 C ATOM 0 H ALA A 20 5.789 -0.047 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 20 5.176 -1.982 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.425 -2.726 -0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.301 -0.986 -0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.988 -1.533 -1.708 1.00 0.00 H new ATOM 265 N VAL A 21 5.994 -4.123 -0.110 1.00 0.00 N ATOM 266 CA VAL A 21 6.738 -5.321 -0.499 1.00 0.00 C ATOM 267 C VAL A 21 7.041 -5.426 -2.010 1.00 0.00 C ATOM 268 O VAL A 21 6.214 -5.060 -2.834 1.00 0.00 O ATOM 269 CB VAL A 21 5.888 -6.512 -0.013 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.263 -7.839 -0.664 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.993 -6.676 1.505 1.00 0.00 C ATOM 0 H VAL A 21 5.310 -4.316 0.622 1.00 0.00 H new ATOM 0 HA VAL A 21 7.728 -5.296 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 21 4.867 -6.270 -0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.623 -8.630 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.130 -7.765 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.304 -8.072 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.384 -7.523 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.033 -6.853 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.637 -5.769 1.994 1.00 0.00 H new ATOM 281 N SER A 22 8.205 -5.951 -2.417 1.00 0.00 N ATOM 282 CA SER A 22 8.450 -6.196 -3.838 1.00 0.00 C ATOM 283 C SER A 22 7.548 -7.351 -4.262 1.00 0.00 C ATOM 284 O SER A 22 7.574 -8.421 -3.657 1.00 0.00 O ATOM 285 CB SER A 22 9.929 -6.487 -4.139 1.00 0.00 C ATOM 286 OG SER A 22 10.099 -7.275 -5.311 1.00 0.00 O ATOM 0 H SER A 22 8.973 -6.208 -1.797 1.00 0.00 H new ATOM 0 HA SER A 22 8.216 -5.299 -4.411 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.465 -5.545 -4.257 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.375 -7.004 -3.289 1.00 0.00 H new ATOM 0 HG SER A 22 11.055 -7.380 -5.499 1.00 0.00 H new ATOM 292 N LEU A 23 6.744 -7.141 -5.306 1.00 0.00 N ATOM 293 CA LEU A 23 5.826 -8.148 -5.818 1.00 0.00 C ATOM 294 C LEU A 23 6.605 -9.359 -6.362 1.00 0.00 C ATOM 295 O LEU A 23 6.012 -10.418 -6.549 1.00 0.00 O ATOM 296 CB LEU A 23 4.943 -7.549 -6.937 1.00 0.00 C ATOM 297 CG LEU A 23 3.823 -6.569 -6.533 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.717 -7.183 -5.655 1.00 0.00 C ATOM 299 CD2 LEU A 23 4.391 -5.295 -5.909 1.00 0.00 C ATOM 0 H LEU A 23 6.715 -6.260 -5.820 1.00 0.00 H new ATOM 0 HA LEU A 23 5.187 -8.478 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.599 -7.035 -7.640 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.483 -8.376 -7.478 1.00 0.00 H new ATOM 0 HG LEU A 23 3.328 -6.307 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.974 -6.421 -5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.240 -8.003 -6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.154 -7.560 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.573 -4.628 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.963 -5.551 -5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.042 -4.797 -6.628 1.00 0.00 H new ATOM 311 N TRP A 24 7.913 -9.208 -6.620 1.00 0.00 N ATOM 312 CA TRP A 24 8.737 -10.222 -7.271 1.00 0.00 C ATOM 313 C TRP A 24 9.693 -10.911 -6.302 1.00 0.00 C ATOM 314 O TRP A 24 9.806 -12.134 -6.314 1.00 0.00 O ATOM 315 CB TRP A 24 9.469 -9.555 -8.443 1.00 0.00 C ATOM 316 CG TRP A 24 8.527 -8.816 -9.343 1.00 0.00 C ATOM 317 CD1 TRP A 24 7.808 -9.375 -10.341 1.00 0.00 C ATOM 318 CD2 TRP A 24 8.008 -7.461 -9.189 1.00 0.00 C ATOM 319 NE1 TRP A 24 6.862 -8.479 -10.796 1.00 0.00 N ATOM 320 CE2 TRP A 24 6.919 -7.295 -10.092 1.00 0.00 C ATOM 321 CE3 TRP A 24 8.293 -6.383 -8.321 1.00 0.00 C ATOM 322 CZ2 TRP A 24 6.131 -6.136 -10.108 1.00 0.00 C ATOM 323 CZ3 TRP A 24 7.540 -5.196 -8.365 1.00 0.00 C ATOM 324 CH2 TRP A 24 6.437 -5.086 -9.229 1.00 0.00 C ATOM 0 H TRP A 24 8.430 -8.363 -6.376 1.00 0.00 H new ATOM 0 HA TRP A 24 8.100 -11.023 -7.646 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.219 -8.864 -8.057 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.000 -10.313 -9.018 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.952 -10.374 -10.725 1.00 0.00 H new ATOM 0 HE1 TRP A 24 6.206 -8.668 -11.554 1.00 0.00 H new ATOM 0 HE3 TRP A 24 9.103 -6.472 -7.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.297 -6.052 -10.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.811 -4.364 -7.731 1.00 0.00 H new ATOM 0 HH2 TRP A 24 5.826 -4.195 -9.216 1.00 0.00 H new ATOM 335 N ILE A 25 10.388 -10.136 -5.467 1.00 0.00 N ATOM 336 CA ILE A 25 11.340 -10.639 -4.495 1.00 0.00 C ATOM 337 C ILE A 25 11.095 -9.896 -3.184 1.00 0.00 C ATOM 338 O ILE A 25 11.728 -8.885 -2.881 1.00 0.00 O ATOM 339 CB ILE A 25 12.777 -10.557 -5.045 1.00 0.00 C ATOM 340 CG1 ILE A 25 13.766 -11.000 -3.957 1.00 0.00 C ATOM 341 CG2 ILE A 25 13.145 -9.178 -5.607 1.00 0.00 C ATOM 342 CD1 ILE A 25 15.109 -11.465 -4.527 1.00 0.00 C ATOM 0 H ILE A 25 10.297 -9.120 -5.453 1.00 0.00 H new ATOM 0 HA ILE A 25 11.201 -11.701 -4.293 1.00 0.00 H new ATOM 0 HB ILE A 25 12.836 -11.235 -5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.936 -10.172 -3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.323 -11.810 -3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 25 14.171 -9.197 -5.975 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.470 -8.927 -6.425 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.056 -8.429 -4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.766 -11.766 -3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.948 -12.312 -5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.571 -10.649 -5.083 1.00 0.00 H new ATOM 354 N LYS A 26 10.183 -10.445 -2.382 1.00 0.00 N ATOM 355 CA LYS A 26 9.707 -9.887 -1.121 1.00 0.00 C ATOM 356 C LYS A 26 10.810 -9.533 -0.110 1.00 0.00 C ATOM 357 O LYS A 26 10.517 -8.934 0.921 1.00 0.00 O ATOM 358 CB LYS A 26 8.659 -10.835 -0.516 1.00 0.00 C ATOM 359 CG LYS A 26 7.491 -11.083 -1.485 1.00 0.00 C ATOM 360 CD LYS A 26 6.375 -11.891 -0.812 1.00 0.00 C ATOM 361 CE LYS A 26 5.117 -11.945 -1.690 1.00 0.00 C ATOM 362 NZ LYS A 26 5.385 -12.520 -3.022 1.00 0.00 N ATOM 0 H LYS A 26 9.736 -11.334 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 26 9.254 -8.924 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.130 -11.785 -0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.278 -10.411 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.094 -10.129 -1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.851 -11.617 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.726 -12.904 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.130 -11.444 0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.352 -12.538 -1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.715 -10.939 -1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.487 -12.661 -3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.989 -11.871 -3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.869 -13.434 -2.914 1.00 0.00 H new ATOM 376 N SER A 27 12.070 -9.892 -0.379 1.00 0.00 N ATOM 377 CA SER A 27 13.201 -9.518 0.450 1.00 0.00 C ATOM 378 C SER A 27 13.338 -7.991 0.494 1.00 0.00 C ATOM 379 O SER A 27 13.775 -7.439 1.500 1.00 0.00 O ATOM 380 CB SER A 27 14.464 -10.155 -0.138 1.00 0.00 C ATOM 381 OG SER A 27 14.172 -11.469 -0.580 1.00 0.00 O ATOM 0 H SER A 27 12.327 -10.456 -1.189 1.00 0.00 H new ATOM 0 HA SER A 27 13.053 -9.873 1.470 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.833 -9.554 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.254 -10.180 0.613 1.00 0.00 H new ATOM 0 HG SER A 27 14.980 -11.874 -0.957 1.00 0.00 H new ATOM 387 N VAL A 28 12.995 -7.324 -0.613 1.00 0.00 N ATOM 388 CA VAL A 28 13.016 -5.873 -0.745 1.00 0.00 C ATOM 389 C VAL A 28 11.584 -5.355 -0.853 1.00 0.00 C ATOM 390 O VAL A 28 10.652 -6.129 -1.074 1.00 0.00 O ATOM 391 CB VAL A 28 13.836 -5.453 -1.985 1.00 0.00 C ATOM 392 CG1 VAL A 28 15.323 -5.346 -1.631 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.662 -6.367 -3.196 1.00 0.00 C ATOM 0 H VAL A 28 12.687 -7.797 -1.463 1.00 0.00 H new ATOM 0 HA VAL A 28 13.490 -5.440 0.136 1.00 0.00 H new ATOM 0 HB VAL A 28 13.440 -4.480 -2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.887 -5.049 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.458 -4.600 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.683 -6.312 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.273 -5.999 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.975 -7.378 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.614 -6.377 -3.497 1.00 0.00 H new ATOM 403 N ARG A 29 11.404 -4.041 -0.694 1.00 0.00 N ATOM 404 CA ARG A 29 10.135 -3.371 -0.906 1.00 0.00 C ATOM 405 C ARG A 29 10.336 -2.417 -2.088 1.00 0.00 C ATOM 406 O ARG A 29 11.460 -2.281 -2.570 1.00 0.00 O ATOM 407 CB ARG A 29 9.678 -2.707 0.396 1.00 0.00 C ATOM 408 CG ARG A 29 9.881 -3.648 1.588 1.00 0.00 C ATOM 409 CD ARG A 29 9.128 -3.155 2.828 1.00 0.00 C ATOM 410 NE ARG A 29 8.160 -4.151 3.303 1.00 0.00 N ATOM 411 CZ ARG A 29 8.480 -5.337 3.843 1.00 0.00 C ATOM 412 NH1 ARG A 29 9.757 -5.719 3.939 1.00 0.00 N ATOM 413 NH2 ARG A 29 7.507 -6.137 4.280 1.00 0.00 N ATOM 0 H ARG A 29 12.153 -3.410 -0.410 1.00 0.00 H new ATOM 0 HA ARG A 29 9.324 -4.052 -1.164 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.238 -1.785 0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.626 -2.432 0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.537 -4.648 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.944 -3.726 1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.840 -2.931 3.622 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.609 -2.225 2.594 1.00 0.00 H new ATOM 0 HE ARG A 29 7.169 -3.924 3.216 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.499 -5.107 3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.989 -6.623 4.351 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.533 -5.845 4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.737 -7.041 4.692 1.00 0.00 H new ATOM 427 N VAL A 30 9.276 -1.809 -2.618 1.00 0.00 N ATOM 428 CA VAL A 30 9.327 -0.895 -3.747 1.00 0.00 C ATOM 429 C VAL A 30 8.356 0.269 -3.530 1.00 0.00 C ATOM 430 O VAL A 30 7.312 0.117 -2.881 1.00 0.00 O ATOM 431 CB VAL A 30 9.015 -1.617 -5.071 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.051 -2.692 -5.407 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.613 -2.243 -5.082 1.00 0.00 C ATOM 0 H VAL A 30 8.331 -1.946 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 30 10.341 -0.502 -3.815 1.00 0.00 H new ATOM 0 HB VAL A 30 9.055 -0.842 -5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.786 -3.171 -6.349 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.035 -2.233 -5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.071 -3.439 -4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.444 -2.739 -6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.534 -2.972 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.865 -1.463 -4.941 1.00 0.00 H new ATOM 443 N CYS A 31 8.695 1.431 -4.095 1.00 0.00 N ATOM 444 CA CYS A 31 7.847 2.617 -4.048 1.00 0.00 C ATOM 445 C CYS A 31 6.585 2.349 -4.871 1.00 0.00 C ATOM 446 O CYS A 31 6.580 2.492 -6.091 1.00 0.00 O ATOM 447 CB CYS A 31 8.596 3.854 -4.561 1.00 0.00 C ATOM 448 SG CYS A 31 10.136 4.260 -3.700 1.00 0.00 S ATOM 0 H CYS A 31 9.570 1.572 -4.599 1.00 0.00 H new ATOM 0 HA CYS A 31 7.567 2.825 -3.015 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.821 3.706 -5.617 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.928 4.713 -4.494 1.00 0.00 H new ATOM 453 N THR A 32 5.510 1.962 -4.190 1.00 0.00 N ATOM 454 CA THR A 32 4.220 1.597 -4.759 1.00 0.00 C ATOM 455 C THR A 32 3.300 2.815 -4.626 1.00 0.00 C ATOM 456 O THR A 32 3.182 3.341 -3.521 1.00 0.00 O ATOM 457 CB THR A 32 3.703 0.409 -3.936 1.00 0.00 C ATOM 458 OG1 THR A 32 4.656 -0.636 -3.988 1.00 0.00 O ATOM 459 CG2 THR A 32 2.324 -0.128 -4.336 1.00 0.00 C ATOM 0 H THR A 32 5.518 1.891 -3.172 1.00 0.00 H new ATOM 0 HA THR A 32 4.273 1.315 -5.811 1.00 0.00 H new ATOM 0 HB THR A 32 3.569 0.791 -2.924 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.449 -0.381 -3.472 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.058 -0.965 -3.690 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.581 0.662 -4.230 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.351 -0.464 -5.373 1.00 0.00 H new ATOM 467 N PRO A 33 2.694 3.328 -5.709 1.00 0.00 N ATOM 468 CA PRO A 33 1.806 4.483 -5.648 1.00 0.00 C ATOM 469 C PRO A 33 0.706 4.364 -4.591 1.00 0.00 C ATOM 470 O PRO A 33 0.300 3.254 -4.247 1.00 0.00 O ATOM 471 CB PRO A 33 1.196 4.597 -7.047 1.00 0.00 C ATOM 472 CG PRO A 33 2.288 4.020 -7.946 1.00 0.00 C ATOM 473 CD PRO A 33 2.885 2.904 -7.087 1.00 0.00 C ATOM 0 HA PRO A 33 2.371 5.367 -5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.266 4.034 -7.129 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.966 5.631 -7.304 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.880 3.636 -8.881 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.034 4.771 -8.208 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.387 1.953 -7.277 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.942 2.760 -7.310 1.00 0.00 H new ATOM 481 N VAL A 34 0.225 5.504 -4.070 1.00 0.00 N ATOM 482 CA VAL A 34 -0.932 5.478 -3.175 1.00 0.00 C ATOM 483 C VAL A 34 -2.084 4.740 -3.875 1.00 0.00 C ATOM 484 O VAL A 34 -2.238 4.823 -5.094 1.00 0.00 O ATOM 485 CB VAL A 34 -1.408 6.891 -2.779 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.635 7.502 -1.606 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.394 7.856 -3.966 1.00 0.00 C ATOM 0 H VAL A 34 0.611 6.431 -4.250 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.631 4.967 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.436 6.749 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.029 8.495 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.746 6.867 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.421 7.579 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.737 8.838 -3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.380 7.937 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.056 7.482 -4.747 1.00 0.00 H new ATOM 497 N GLY A 35 -2.895 4.021 -3.101 1.00 0.00 N ATOM 498 CA GLY A 35 -4.041 3.287 -3.624 1.00 0.00 C ATOM 499 C GLY A 35 -5.030 4.191 -4.369 1.00 0.00 C ATOM 500 O GLY A 35 -5.118 5.385 -4.093 1.00 0.00 O ATOM 0 H GLY A 35 -2.774 3.932 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.690 2.505 -4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.556 2.791 -2.801 1.00 0.00 H new ATOM 504 N THR A 36 -5.799 3.624 -5.297 1.00 0.00 N ATOM 505 CA THR A 36 -6.766 4.342 -6.126 1.00 0.00 C ATOM 506 C THR A 36 -8.068 3.531 -6.260 1.00 0.00 C ATOM 507 O THR A 36 -8.164 2.411 -5.757 1.00 0.00 O ATOM 508 CB THR A 36 -6.130 4.600 -7.503 1.00 0.00 C ATOM 509 OG1 THR A 36 -5.690 3.385 -8.078 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.944 5.565 -7.422 1.00 0.00 C ATOM 0 H THR A 36 -5.766 2.625 -5.499 1.00 0.00 H new ATOM 0 HA THR A 36 -7.023 5.294 -5.661 1.00 0.00 H new ATOM 0 HB THR A 36 -6.901 5.055 -8.124 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.024 2.968 -7.492 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.529 5.716 -8.418 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.280 6.521 -7.020 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.178 5.146 -6.769 1.00 0.00 H new ATOM 518 N SER A 37 -9.075 4.099 -6.935 1.00 0.00 N ATOM 519 CA SER A 37 -10.384 3.504 -7.170 1.00 0.00 C ATOM 520 C SER A 37 -10.308 2.051 -7.659 1.00 0.00 C ATOM 521 O SER A 37 -9.779 1.786 -8.735 1.00 0.00 O ATOM 522 CB SER A 37 -11.115 4.374 -8.196 1.00 0.00 C ATOM 523 OG SER A 37 -11.059 5.733 -7.791 1.00 0.00 O ATOM 0 H SER A 37 -8.989 5.028 -7.348 1.00 0.00 H new ATOM 0 HA SER A 37 -10.923 3.470 -6.223 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.658 4.257 -9.179 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.153 4.053 -8.287 1.00 0.00 H new ATOM 0 HG SER A 37 -11.934 6.008 -7.446 1.00 0.00 H new ATOM 529 N GLY A 38 -10.858 1.121 -6.877 1.00 0.00 N ATOM 530 CA GLY A 38 -10.917 -0.302 -7.177 1.00 0.00 C ATOM 531 C GLY A 38 -9.635 -1.051 -6.816 1.00 0.00 C ATOM 532 O GLY A 38 -9.603 -2.277 -6.910 1.00 0.00 O ATOM 0 H GLY A 38 -11.291 1.352 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.753 -0.746 -6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.119 -0.434 -8.240 1.00 0.00 H new ATOM 536 N GLU A 39 -8.579 -0.350 -6.398 1.00 0.00 N ATOM 537 CA GLU A 39 -7.329 -0.985 -6.031 1.00 0.00 C ATOM 538 C GLU A 39 -7.485 -1.646 -4.660 1.00 0.00 C ATOM 539 O GLU A 39 -8.245 -1.164 -3.816 1.00 0.00 O ATOM 540 CB GLU A 39 -6.228 0.078 -6.041 1.00 0.00 C ATOM 541 CG GLU A 39 -4.819 -0.523 -6.071 1.00 0.00 C ATOM 542 CD GLU A 39 -3.736 0.541 -6.244 1.00 0.00 C ATOM 543 OE1 GLU A 39 -4.099 1.679 -6.620 1.00 0.00 O ATOM 544 OE2 GLU A 39 -2.562 0.195 -5.995 1.00 0.00 O ATOM 0 H GLU A 39 -8.574 0.666 -6.308 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.056 -1.766 -6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.361 0.723 -6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.330 0.708 -5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.641 -1.072 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.751 -1.243 -6.887 1.00 0.00 H new ATOM 551 N ASP A 40 -6.782 -2.762 -4.449 1.00 0.00 N ATOM 552 CA ASP A 40 -6.801 -3.485 -3.188 1.00 0.00 C ATOM 553 C ASP A 40 -6.192 -2.627 -2.082 1.00 0.00 C ATOM 554 O ASP A 40 -5.318 -1.799 -2.339 1.00 0.00 O ATOM 555 CB ASP A 40 -6.058 -4.818 -3.325 1.00 0.00 C ATOM 556 CG ASP A 40 -6.765 -5.745 -4.306 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.702 -6.442 -3.862 1.00 0.00 O ATOM 558 OD2 ASP A 40 -6.378 -5.711 -5.495 1.00 0.00 O ATOM 0 H ASP A 40 -6.182 -3.186 -5.156 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.835 -3.703 -2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.038 -4.636 -3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.989 -5.301 -2.350 1.00 0.00 H new ATOM 563 N CYS A 41 -6.651 -2.830 -0.849 1.00 0.00 N ATOM 564 CA CYS A 41 -6.206 -2.095 0.323 1.00 0.00 C ATOM 565 C CYS A 41 -6.381 -2.971 1.555 1.00 0.00 C ATOM 566 O CYS A 41 -6.990 -4.039 1.495 1.00 0.00 O ATOM 567 CB CYS A 41 -7.033 -0.811 0.482 1.00 0.00 C ATOM 568 SG CYS A 41 -8.783 -1.102 0.838 1.00 0.00 S ATOM 0 H CYS A 41 -7.362 -3.530 -0.636 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.156 -1.827 0.206 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.604 -0.212 1.285 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.952 -0.223 -0.432 1.00 0.00 H new ATOM 573 N HIS A 42 -5.828 -2.504 2.671 1.00 0.00 N ATOM 574 CA HIS A 42 -5.957 -3.097 3.990 1.00 0.00 C ATOM 575 C HIS A 42 -6.299 -1.908 4.886 1.00 0.00 C ATOM 576 O HIS A 42 -5.659 -0.866 4.728 1.00 0.00 O ATOM 577 CB HIS A 42 -4.632 -3.761 4.398 1.00 0.00 C ATOM 578 CG HIS A 42 -4.675 -4.502 5.710 1.00 0.00 C ATOM 579 ND1 HIS A 42 -5.137 -3.911 6.885 1.00 0.00 N ATOM 580 CD2 HIS A 42 -4.287 -5.783 5.994 1.00 0.00 C ATOM 581 CE1 HIS A 42 -5.050 -4.869 7.813 1.00 0.00 C ATOM 582 NE2 HIS A 42 -4.537 -6.010 7.331 1.00 0.00 N ATOM 0 H HIS A 42 -5.252 -1.662 2.676 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.712 -3.881 4.049 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.333 -4.456 3.614 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.860 -2.994 4.455 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.861 -6.489 5.297 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.359 -4.738 8.839 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -4.366 -6.872 7.849 1.00 0.00 H new ATOM 590 N PRO A 43 -7.290 -1.992 5.784 1.00 0.00 N ATOM 591 CA PRO A 43 -7.635 -0.867 6.639 1.00 0.00 C ATOM 592 C PRO A 43 -6.415 -0.347 7.411 1.00 0.00 C ATOM 593 O PRO A 43 -6.318 0.850 7.667 1.00 0.00 O ATOM 594 CB PRO A 43 -8.755 -1.370 7.557 1.00 0.00 C ATOM 595 CG PRO A 43 -8.606 -2.893 7.524 1.00 0.00 C ATOM 596 CD PRO A 43 -8.094 -3.157 6.110 1.00 0.00 C ATOM 0 HA PRO A 43 -7.975 -0.008 6.060 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.647 -0.980 8.569 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.736 -1.057 7.198 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.905 -3.246 8.280 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.555 -3.396 7.710 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.502 -4.071 6.068 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.918 -3.278 5.407 1.00 0.00 H new ATOM 604 N ALA A 44 -5.468 -1.230 7.751 1.00 0.00 N ATOM 605 CA ALA A 44 -4.250 -0.887 8.466 1.00 0.00 C ATOM 606 C ALA A 44 -3.042 -0.805 7.526 1.00 0.00 C ATOM 607 O ALA A 44 -1.970 -1.292 7.881 1.00 0.00 O ATOM 608 CB ALA A 44 -4.016 -1.921 9.573 1.00 0.00 C ATOM 0 H ALA A 44 -5.537 -2.223 7.528 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.369 0.102 8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.104 -1.673 10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.861 -1.915 10.261 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.916 -2.912 9.130 1.00 0.00 H new ATOM 614 N SER A 45 -3.162 -0.172 6.350 1.00 0.00 N ATOM 615 CA SER A 45 -2.044 0.002 5.426 1.00 0.00 C ATOM 616 C SER A 45 -1.051 1.077 5.903 1.00 0.00 C ATOM 617 O SER A 45 -0.702 1.963 5.131 1.00 0.00 O ATOM 618 CB SER A 45 -2.582 0.359 4.036 1.00 0.00 C ATOM 619 OG SER A 45 -3.266 -0.735 3.463 1.00 0.00 O ATOM 0 H SER A 45 -4.038 0.231 6.018 1.00 0.00 H new ATOM 0 HA SER A 45 -1.497 -0.940 5.385 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.254 1.214 4.111 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.758 0.657 3.388 1.00 0.00 H new ATOM 0 HG SER A 45 -4.144 -0.830 3.888 1.00 0.00 H new ATOM 625 N HIS A 46 -0.581 0.973 7.149 1.00 0.00 N ATOM 626 CA HIS A 46 0.411 1.779 7.870 1.00 0.00 C ATOM 627 C HIS A 46 0.482 3.261 7.499 1.00 0.00 C ATOM 628 O HIS A 46 0.868 3.632 6.391 1.00 0.00 O ATOM 629 CB HIS A 46 1.813 1.148 7.817 1.00 0.00 C ATOM 630 CG HIS A 46 1.790 -0.289 7.400 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.120 -0.699 6.106 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.198 -1.317 8.070 1.00 0.00 C ATOM 633 CE1 HIS A 46 1.747 -1.985 6.068 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.160 -2.392 7.207 1.00 0.00 N ATOM 0 H HIS A 46 -0.931 0.228 7.752 1.00 0.00 H new ATOM 0 HA HIS A 46 0.036 1.766 8.893 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.434 1.713 7.122 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.279 1.229 8.799 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.829 -1.294 9.085 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.901 -2.627 5.213 1.00 0.00 H new ATOM 0 HE2 HIS A 46 0.765 -3.313 7.395 1.00 0.00 H new ATOM 642 N LYS A 47 0.167 4.112 8.470 1.00 0.00 N ATOM 643 CA LYS A 47 0.207 5.558 8.313 1.00 0.00 C ATOM 644 C LYS A 47 1.546 6.032 7.719 1.00 0.00 C ATOM 645 O LYS A 47 2.609 5.629 8.187 1.00 0.00 O ATOM 646 CB LYS A 47 -0.039 6.202 9.686 1.00 0.00 C ATOM 647 CG LYS A 47 -0.507 7.659 9.600 1.00 0.00 C ATOM 648 CD LYS A 47 -1.883 7.740 8.925 1.00 0.00 C ATOM 649 CE LYS A 47 -2.586 9.052 9.292 1.00 0.00 C ATOM 650 NZ LYS A 47 -3.896 9.164 8.627 1.00 0.00 N ATOM 0 H LYS A 47 -0.127 3.811 9.399 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.570 5.862 7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.787 5.619 10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.880 6.157 10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.559 8.090 10.600 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.217 8.247 9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.768 7.673 7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.496 6.893 9.234 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.719 9.105 10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.958 9.896 9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.346 10.062 8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.765 9.137 7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.503 8.372 8.920 1.00 0.00 H new ATOM 664 N ILE A 48 1.498 6.861 6.671 1.00 0.00 N ATOM 665 CA ILE A 48 2.690 7.462 6.076 1.00 0.00 C ATOM 666 C ILE A 48 3.138 8.590 7.020 1.00 0.00 C ATOM 667 O ILE A 48 2.273 9.289 7.550 1.00 0.00 O ATOM 668 CB ILE A 48 2.348 8.006 4.666 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.116 6.832 3.699 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.431 8.930 4.080 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.598 7.265 2.322 1.00 0.00 C ATOM 0 H ILE A 48 0.628 7.133 6.213 1.00 0.00 H new ATOM 0 HA ILE A 48 3.494 6.735 5.956 1.00 0.00 H new ATOM 0 HB ILE A 48 1.445 8.606 4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.051 6.287 3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.402 6.140 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.122 9.272 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.569 9.790 4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.370 8.383 3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.457 6.386 1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.647 7.784 2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.321 7.933 1.855 1.00 0.00 H new ATOM 683 N PRO A 49 4.446 8.831 7.215 1.00 0.00 N ATOM 684 CA PRO A 49 5.569 8.051 6.721 1.00 0.00 C ATOM 685 C PRO A 49 5.828 6.865 7.654 1.00 0.00 C ATOM 686 O PRO A 49 6.035 7.049 8.851 1.00 0.00 O ATOM 687 CB PRO A 49 6.750 9.024 6.728 1.00 0.00 C ATOM 688 CG PRO A 49 6.445 9.948 7.908 1.00 0.00 C ATOM 689 CD PRO A 49 4.915 10.011 7.924 1.00 0.00 C ATOM 0 HA PRO A 49 5.394 7.637 5.728 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.698 8.503 6.861 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.819 9.578 5.792 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.840 9.550 8.843 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.886 10.935 7.770 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.538 10.025 8.947 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.559 10.921 7.441 1.00 0.00 H new ATOM 697 N PHE A 50 5.871 5.652 7.105 1.00 0.00 N ATOM 698 CA PHE A 50 6.110 4.450 7.880 1.00 0.00 C ATOM 699 C PHE A 50 7.584 4.077 7.747 1.00 0.00 C ATOM 700 O PHE A 50 7.991 3.401 6.801 1.00 0.00 O ATOM 701 CB PHE A 50 5.192 3.327 7.392 1.00 0.00 C ATOM 702 CG PHE A 50 5.228 2.105 8.285 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.603 2.145 9.545 1.00 0.00 C ATOM 704 CD2 PHE A 50 5.938 0.956 7.893 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.626 1.014 10.379 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.946 -0.180 8.720 1.00 0.00 C ATOM 707 CZ PHE A 50 5.287 -0.154 9.961 1.00 0.00 C ATOM 0 H PHE A 50 5.740 5.482 6.108 1.00 0.00 H new ATOM 0 HA PHE A 50 5.885 4.617 8.933 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.169 3.700 7.336 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.483 3.041 6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.105 3.046 9.872 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.477 0.947 6.957 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.136 1.042 11.341 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.460 -1.075 8.401 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.288 -1.030 10.593 1.00 0.00 H new ATOM 717 N SER A 51 8.391 4.535 8.706 1.00 0.00 N ATOM 718 CA SER A 51 9.828 4.313 8.781 1.00 0.00 C ATOM 719 C SER A 51 10.194 2.858 9.119 1.00 0.00 C ATOM 720 O SER A 51 11.061 2.626 9.962 1.00 0.00 O ATOM 721 CB SER A 51 10.384 5.267 9.844 1.00 0.00 C ATOM 722 OG SER A 51 9.801 6.548 9.690 1.00 0.00 O ATOM 0 H SER A 51 8.041 5.095 9.483 1.00 0.00 H new ATOM 0 HA SER A 51 10.267 4.507 7.802 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.173 4.879 10.840 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.468 5.337 9.752 1.00 0.00 H new ATOM 0 HG SER A 51 10.158 7.154 10.372 1.00 0.00 H new ATOM 728 N GLY A 52 9.574 1.875 8.463 1.00 0.00 N ATOM 729 CA GLY A 52 9.815 0.470 8.723 1.00 0.00 C ATOM 730 C GLY A 52 9.354 -0.390 7.552 1.00 0.00 C ATOM 731 O GLY A 52 8.901 0.118 6.527 1.00 0.00 O ATOM 0 H GLY A 52 8.885 2.043 7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.878 0.307 8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.289 0.169 9.629 1.00 0.00 H new ATOM 735 N GLN A 53 9.452 -1.706 7.737 1.00 0.00 N ATOM 736 CA GLN A 53 9.121 -2.709 6.741 1.00 0.00 C ATOM 737 C GLN A 53 7.603 -2.906 6.691 1.00 0.00 C ATOM 738 O GLN A 53 7.029 -3.528 7.583 1.00 0.00 O ATOM 739 CB GLN A 53 9.825 -4.017 7.133 1.00 0.00 C ATOM 740 CG GLN A 53 11.360 -3.925 7.103 1.00 0.00 C ATOM 741 CD GLN A 53 11.946 -4.238 5.730 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.268 -5.385 5.441 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.102 -3.248 4.857 1.00 0.00 N ATOM 0 H GLN A 53 9.775 -2.111 8.616 1.00 0.00 H new ATOM 0 HA GLN A 53 9.453 -2.394 5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.506 -4.305 8.135 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.504 -4.809 6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.665 -2.922 7.403 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.775 -4.617 7.836 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.830 -2.298 5.109 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.493 -3.438 3.935 1.00 0.00 H new ATOM 752 N ARG A 54 6.937 -2.350 5.675 1.00 0.00 N ATOM 753 CA ARG A 54 5.499 -2.509 5.499 1.00 0.00 C ATOM 754 C ARG A 54 5.170 -3.979 5.244 1.00 0.00 C ATOM 755 O ARG A 54 5.283 -4.451 4.115 1.00 0.00 O ATOM 756 CB ARG A 54 5.011 -1.663 4.322 1.00 0.00 C ATOM 757 CG ARG A 54 5.072 -0.168 4.641 1.00 0.00 C ATOM 758 CD ARG A 54 4.348 0.610 3.544 1.00 0.00 C ATOM 759 NE ARG A 54 4.151 2.015 3.920 1.00 0.00 N ATOM 760 CZ ARG A 54 3.012 2.509 4.423 1.00 0.00 C ATOM 761 NH1 ARG A 54 1.992 1.704 4.727 1.00 0.00 N ATOM 762 NH2 ARG A 54 2.884 3.813 4.639 1.00 0.00 N ATOM 0 H ARG A 54 7.382 -1.780 4.956 1.00 0.00 H new ATOM 0 HA ARG A 54 4.996 -2.175 6.407 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.621 -1.874 3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.987 -1.941 4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.610 0.029 5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.109 0.159 4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.923 0.557 2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.382 0.147 3.345 1.00 0.00 H new ATOM 0 HE ARG A 54 4.933 2.657 3.790 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.074 0.698 4.577 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.131 2.094 5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.655 4.444 4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.014 4.184 5.022 1.00 0.00 H new ATOM 776 N MET A 55 4.775 -4.705 6.291 1.00 0.00 N ATOM 777 CA MET A 55 4.449 -6.120 6.210 1.00 0.00 C ATOM 778 C MET A 55 3.365 -6.392 5.161 1.00 0.00 C ATOM 779 O MET A 55 3.563 -7.196 4.253 1.00 0.00 O ATOM 780 CB MET A 55 4.041 -6.620 7.605 1.00 0.00 C ATOM 781 CG MET A 55 3.852 -8.143 7.650 1.00 0.00 C ATOM 782 SD MET A 55 5.276 -9.158 7.163 1.00 0.00 S ATOM 783 CE MET A 55 6.495 -8.637 8.390 1.00 0.00 C ATOM 0 H MET A 55 4.673 -4.317 7.229 1.00 0.00 H new ATOM 0 HA MET A 55 5.329 -6.673 5.882 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.803 -6.330 8.329 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.113 -6.133 7.905 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.568 -8.420 8.665 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.014 -8.401 7.003 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.379 -9.270 8.316 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.776 -7.600 8.207 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.067 -8.726 9.389 1.00 0.00 H new ATOM 793 N HIS A 56 2.206 -5.743 5.300 1.00 0.00 N ATOM 794 CA HIS A 56 1.089 -5.937 4.384 1.00 0.00 C ATOM 795 C HIS A 56 1.441 -5.427 2.988 1.00 0.00 C ATOM 796 O HIS A 56 1.969 -4.325 2.844 1.00 0.00 O ATOM 797 CB HIS A 56 -0.169 -5.240 4.912 1.00 0.00 C ATOM 798 CG HIS A 56 -0.535 -5.664 6.307 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.228 -4.867 7.409 1.00 0.00 N ATOM 800 CD2 HIS A 56 -1.109 -6.827 6.745 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.669 -5.559 8.463 1.00 0.00 C ATOM 802 NE2 HIS A 56 -1.192 -6.747 8.121 1.00 0.00 N ATOM 0 H HIS A 56 2.020 -5.074 6.047 1.00 0.00 H new ATOM 0 HA HIS A 56 0.885 -7.006 4.315 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.014 -4.161 4.895 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.003 -5.453 4.243 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.436 -7.652 6.130 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.611 -5.201 9.480 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.575 -7.451 8.752 1.00 0.00 H new ATOM 810 N HIS A 57 1.105 -6.206 1.956 1.00 0.00 N ATOM 811 CA HIS A 57 1.382 -5.866 0.565 1.00 0.00 C ATOM 812 C HIS A 57 0.411 -4.802 0.027 1.00 0.00 C ATOM 813 O HIS A 57 -0.226 -5.001 -1.006 1.00 0.00 O ATOM 814 CB HIS A 57 1.386 -7.144 -0.289 1.00 0.00 C ATOM 815 CG HIS A 57 2.254 -6.926 -1.493 1.00 0.00 C ATOM 816 ND1 HIS A 57 2.423 -5.640 -1.992 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.182 -7.751 -2.071 1.00 0.00 C ATOM 818 CE1 HIS A 57 3.477 -5.724 -2.783 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.989 -6.955 -2.850 1.00 0.00 N ATOM 0 H HIS A 57 0.627 -7.100 2.068 1.00 0.00 H new ATOM 0 HA HIS A 57 2.373 -5.415 0.507 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.758 -7.986 0.295 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.371 -7.394 -0.597 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.264 -8.820 -1.940 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.884 -4.881 -3.322 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.814 -7.247 -3.374 1.00 0.00 H new ATOM 827 N THR A 58 0.218 -3.703 0.761 1.00 0.00 N ATOM 828 CA THR A 58 -0.634 -2.600 0.341 1.00 0.00 C ATOM 829 C THR A 58 -0.032 -1.263 0.762 1.00 0.00 C ATOM 830 O THR A 58 0.854 -1.204 1.614 1.00 0.00 O ATOM 831 CB THR A 58 -2.062 -2.782 0.894 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.052 -2.945 2.300 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.754 -4.001 0.277 1.00 0.00 C ATOM 0 H THR A 58 0.655 -3.558 1.671 1.00 0.00 H new ATOM 0 HA THR A 58 -0.698 -2.601 -0.747 1.00 0.00 H new ATOM 0 HB THR A 58 -2.611 -1.878 0.630 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.477 -2.169 2.722 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.758 -4.097 0.690 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.817 -3.875 -0.804 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.180 -4.899 0.505 1.00 0.00 H new ATOM 841 N CYS A 59 -0.547 -0.187 0.165 1.00 0.00 N ATOM 842 CA CYS A 59 -0.240 1.191 0.510 1.00 0.00 C ATOM 843 C CYS A 59 -1.560 1.854 0.864 1.00 0.00 C ATOM 844 O CYS A 59 -2.602 1.383 0.404 1.00 0.00 O ATOM 845 CB CYS A 59 0.377 1.931 -0.682 1.00 0.00 C ATOM 846 SG CYS A 59 2.121 1.599 -0.944 1.00 0.00 S ATOM 0 H CYS A 59 -1.215 -0.261 -0.602 1.00 0.00 H new ATOM 0 HA CYS A 59 0.474 1.221 1.333 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.171 1.660 -1.585 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.242 3.003 -0.537 1.00 0.00 H new ATOM 851 N PRO A 60 -1.557 2.915 1.685 1.00 0.00 N ATOM 852 CA PRO A 60 -2.781 3.632 1.943 1.00 0.00 C ATOM 853 C PRO A 60 -3.239 4.245 0.621 1.00 0.00 C ATOM 854 O PRO A 60 -2.452 4.448 -0.307 1.00 0.00 O ATOM 855 CB PRO A 60 -2.487 4.683 3.012 1.00 0.00 C ATOM 856 CG PRO A 60 -0.976 4.632 3.236 1.00 0.00 C ATOM 857 CD PRO A 60 -0.412 3.582 2.276 1.00 0.00 C ATOM 0 HA PRO A 60 -3.582 2.993 2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.801 5.674 2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.027 4.466 3.934 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.526 5.607 3.048 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.749 4.370 4.269 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.205 4.049 1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.222 2.871 2.806 1.00 0.00 H new ATOM 865 N CYS A 61 -4.535 4.502 0.525 1.00 0.00 N ATOM 866 CA CYS A 61 -5.128 5.008 -0.695 1.00 0.00 C ATOM 867 C CYS A 61 -5.035 6.523 -0.741 1.00 0.00 C ATOM 868 O CYS A 61 -4.784 7.171 0.275 1.00 0.00 O ATOM 869 CB CYS A 61 -6.553 4.488 -0.821 1.00 0.00 C ATOM 870 SG CYS A 61 -6.586 2.687 -0.828 1.00 0.00 S ATOM 0 H CYS A 61 -5.198 4.365 1.288 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.575 4.644 -1.561 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.155 4.863 0.007 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.002 4.867 -1.739 1.00 0.00 H new ATOM 875 N ALA A 62 -5.213 7.085 -1.936 1.00 0.00 N ATOM 876 CA ALA A 62 -5.229 8.515 -2.151 1.00 0.00 C ATOM 877 C ALA A 62 -6.253 9.092 -1.162 1.00 0.00 C ATOM 878 O ALA A 62 -7.349 8.548 -1.087 1.00 0.00 O ATOM 879 CB ALA A 62 -5.593 8.776 -3.615 1.00 0.00 C ATOM 0 H ALA A 62 -5.351 6.544 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.265 8.993 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.611 9.850 -3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.852 8.309 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.576 8.355 -3.826 1.00 0.00 H new ATOM 885 N PRO A 63 -5.923 10.143 -0.396 1.00 0.00 N ATOM 886 CA PRO A 63 -6.748 10.713 0.669 1.00 0.00 C ATOM 887 C PRO A 63 -8.282 10.697 0.522 1.00 0.00 C ATOM 888 O PRO A 63 -8.979 10.556 1.523 1.00 0.00 O ATOM 889 CB PRO A 63 -6.188 12.118 0.883 1.00 0.00 C ATOM 890 CG PRO A 63 -4.691 11.897 0.651 1.00 0.00 C ATOM 891 CD PRO A 63 -4.647 10.845 -0.461 1.00 0.00 C ATOM 0 HA PRO A 63 -6.666 10.055 1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.609 12.837 0.180 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.396 12.493 1.885 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.192 12.818 0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.193 11.545 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.507 11.312 -1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.814 10.157 -0.315 1.00 0.00 H new ATOM 899 N ASN A 64 -8.832 10.860 -0.686 1.00 0.00 N ATOM 900 CA ASN A 64 -10.280 10.877 -0.906 1.00 0.00 C ATOM 901 C ASN A 64 -10.921 9.477 -0.918 1.00 0.00 C ATOM 902 O ASN A 64 -12.127 9.341 -0.737 1.00 0.00 O ATOM 903 CB ASN A 64 -10.557 11.599 -2.229 1.00 0.00 C ATOM 904 CG ASN A 64 -12.049 11.698 -2.525 1.00 0.00 C ATOM 905 OD1 ASN A 64 -12.803 12.259 -1.738 1.00 0.00 O ATOM 906 ND2 ASN A 64 -12.461 11.168 -3.672 1.00 0.00 N ATOM 0 H ASN A 64 -8.285 10.984 -1.538 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.736 11.401 -0.066 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.128 12.600 -2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.061 11.069 -3.042 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.446 11.218 -3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.792 10.712 -4.292 1.00 0.00 H new ATOM 913 N LEU A 65 -10.135 8.431 -1.165 1.00 0.00 N ATOM 914 CA LEU A 65 -10.611 7.059 -1.287 1.00 0.00 C ATOM 915 C LEU A 65 -10.980 6.471 0.080 1.00 0.00 C ATOM 916 O LEU A 65 -10.393 6.836 1.097 1.00 0.00 O ATOM 917 CB LEU A 65 -9.509 6.203 -1.929 1.00 0.00 C ATOM 918 CG LEU A 65 -9.280 6.384 -3.443 1.00 0.00 C ATOM 919 CD1 LEU A 65 -10.310 5.587 -4.242 1.00 0.00 C ATOM 920 CD2 LEU A 65 -9.308 7.837 -3.928 1.00 0.00 C ATOM 0 H LEU A 65 -9.126 8.518 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.507 7.058 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.571 6.416 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.742 5.154 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.270 6.012 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.132 5.728 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.222 4.529 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.312 5.935 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.138 7.865 -5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.279 8.277 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.527 8.404 -3.422 1.00 0.00 H new ATOM 932 N ALA A 66 -11.924 5.523 0.092 1.00 0.00 N ATOM 933 CA ALA A 66 -12.395 4.820 1.279 1.00 0.00 C ATOM 934 C ALA A 66 -12.124 3.320 1.124 1.00 0.00 C ATOM 935 O ALA A 66 -12.635 2.700 0.193 1.00 0.00 O ATOM 936 CB ALA A 66 -13.894 5.084 1.452 1.00 0.00 C ATOM 0 H ALA A 66 -12.395 5.217 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.868 5.178 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.256 4.562 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.064 6.154 1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.431 4.724 0.574 1.00 0.00 H new ATOM 942 N CYS A 67 -11.323 2.737 2.024 1.00 0.00 N ATOM 943 CA CYS A 67 -10.971 1.317 2.019 1.00 0.00 C ATOM 944 C CYS A 67 -12.114 0.495 2.627 1.00 0.00 C ATOM 945 O CYS A 67 -12.272 0.495 3.846 1.00 0.00 O ATOM 946 CB CYS A 67 -9.661 1.114 2.798 1.00 0.00 C ATOM 947 SG CYS A 67 -9.066 -0.594 2.836 1.00 0.00 S ATOM 0 H CYS A 67 -10.893 3.253 2.792 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.820 0.975 0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.889 1.744 2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.805 1.458 3.822 1.00 0.00 H new ATOM 952 N VAL A 68 -12.918 -0.186 1.798 1.00 0.00 N ATOM 953 CA VAL A 68 -14.070 -0.981 2.232 1.00 0.00 C ATOM 954 C VAL A 68 -13.793 -2.466 1.989 1.00 0.00 C ATOM 955 O VAL A 68 -13.086 -2.825 1.050 1.00 0.00 O ATOM 956 CB VAL A 68 -15.350 -0.542 1.499 1.00 0.00 C ATOM 957 CG1 VAL A 68 -16.609 -1.166 2.121 1.00 0.00 C ATOM 958 CG2 VAL A 68 -15.518 0.983 1.506 1.00 0.00 C ATOM 0 H VAL A 68 -12.781 -0.198 0.787 1.00 0.00 H new ATOM 0 HA VAL A 68 -14.225 -0.817 3.298 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.238 -0.893 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -17.490 -0.830 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.541 -2.253 2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.690 -0.858 3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.434 1.251 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.575 1.338 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.665 1.445 1.010 1.00 0.00 H new ATOM 968 N GLN A 69 -14.358 -3.336 2.827 1.00 0.00 N ATOM 969 CA GLN A 69 -14.155 -4.773 2.746 1.00 0.00 C ATOM 970 C GLN A 69 -14.945 -5.390 1.596 1.00 0.00 C ATOM 971 O GLN A 69 -16.146 -5.148 1.474 1.00 0.00 O ATOM 972 CB GLN A 69 -14.377 -5.399 4.136 1.00 0.00 C ATOM 973 CG GLN A 69 -15.784 -5.883 4.479 1.00 0.00 C ATOM 974 CD GLN A 69 -15.966 -7.314 3.987 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.521 -8.267 4.620 1.00 0.00 O ATOM 976 NE2 GLN A 69 -16.539 -7.472 2.805 1.00 0.00 N ATOM 0 H GLN A 69 -14.976 -3.054 3.588 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.122 -5.002 2.483 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.698 -6.245 4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -14.083 -4.665 4.886 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.944 -5.835 5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.526 -5.232 4.017 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -16.900 -6.662 2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.620 -8.404 2.398 1.00 0.00 H new ATOM 985 N THR A 70 -14.272 -6.189 0.760 1.00 0.00 N ATOM 986 CA THR A 70 -14.917 -7.023 -0.248 1.00 0.00 C ATOM 987 C THR A 70 -14.981 -8.445 0.324 1.00 0.00 C ATOM 988 O THR A 70 -15.894 -9.211 0.023 1.00 0.00 O ATOM 989 CB THR A 70 -14.236 -6.911 -1.621 1.00 0.00 C ATOM 990 OG1 THR A 70 -12.935 -7.452 -1.643 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.167 -5.447 -2.065 1.00 0.00 C ATOM 0 H THR A 70 -13.255 -6.272 0.768 1.00 0.00 H new ATOM 0 HA THR A 70 -15.932 -6.683 -0.453 1.00 0.00 H new ATOM 0 HB THR A 70 -14.849 -7.494 -2.308 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.481 -7.247 -0.799 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.682 -5.385 -3.039 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.176 -5.040 -2.135 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.594 -4.873 -1.337 1.00 0.00 H new ATOM 999 N SER A 71 -14.036 -8.798 1.200 1.00 0.00 N ATOM 1000 CA SER A 71 -14.009 -10.020 1.993 1.00 0.00 C ATOM 1001 C SER A 71 -13.000 -9.785 3.125 1.00 0.00 C ATOM 1002 O SER A 71 -12.325 -8.753 3.128 1.00 0.00 O ATOM 1003 CB SER A 71 -13.704 -11.272 1.153 1.00 0.00 C ATOM 1004 OG SER A 71 -13.707 -11.023 -0.240 1.00 0.00 O ATOM 0 H SER A 71 -13.227 -8.203 1.381 1.00 0.00 H new ATOM 0 HA SER A 71 -14.995 -10.229 2.408 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.731 -11.668 1.443 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.441 -12.042 1.379 1.00 0.00 H new ATOM 0 HG SER A 71 -14.133 -11.773 -0.705 1.00 0.00 H new ATOM 1010 N PRO A 72 -12.905 -10.708 4.092 1.00 0.00 N ATOM 1011 CA PRO A 72 -11.955 -10.639 5.191 1.00 0.00 C ATOM 1012 C PRO A 72 -10.552 -10.355 4.650 1.00 0.00 C ATOM 1013 O PRO A 72 -10.085 -11.079 3.772 1.00 0.00 O ATOM 1014 CB PRO A 72 -12.045 -12.003 5.884 1.00 0.00 C ATOM 1015 CG PRO A 72 -13.482 -12.445 5.595 1.00 0.00 C ATOM 1016 CD PRO A 72 -13.732 -11.893 4.192 1.00 0.00 C ATOM 0 HA PRO A 72 -12.174 -9.835 5.894 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.318 -12.708 5.482 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.855 -11.925 6.954 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.585 -13.530 5.627 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.184 -12.036 6.321 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.465 -12.624 3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.785 -11.651 4.047 1.00 0.00 H new ATOM 1024 N LYS A 73 -9.914 -9.274 5.118 1.00 0.00 N ATOM 1025 CA LYS A 73 -8.605 -8.785 4.688 1.00 0.00 C ATOM 1026 C LYS A 73 -8.664 -8.163 3.284 1.00 0.00 C ATOM 1027 O LYS A 73 -8.111 -7.086 3.060 1.00 0.00 O ATOM 1028 CB LYS A 73 -7.526 -9.873 4.808 1.00 0.00 C ATOM 1029 CG LYS A 73 -6.126 -9.247 4.779 1.00 0.00 C ATOM 1030 CD LYS A 73 -5.054 -10.343 4.849 1.00 0.00 C ATOM 1031 CE LYS A 73 -3.638 -9.755 4.903 1.00 0.00 C ATOM 1032 NZ LYS A 73 -3.309 -8.991 3.685 1.00 0.00 N ATOM 0 H LYS A 73 -10.323 -8.688 5.846 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.314 -7.984 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.663 -10.429 5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.629 -10.587 3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.000 -8.662 3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.009 -8.560 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.224 -10.962 5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.144 -10.995 3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.548 -9.105 5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.916 -10.561 5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.312 -8.698 3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.467 -9.587 2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.916 -8.148 3.629 1.00 0.00 H new ATOM 1046 N LYS A 74 -9.333 -8.827 2.341 1.00 0.00 N ATOM 1047 CA LYS A 74 -9.510 -8.363 0.978 1.00 0.00 C ATOM 1048 C LYS A 74 -10.431 -7.138 0.957 1.00 0.00 C ATOM 1049 O LYS A 74 -11.640 -7.245 0.732 1.00 0.00 O ATOM 1050 CB LYS A 74 -10.052 -9.514 0.117 1.00 0.00 C ATOM 1051 CG LYS A 74 -9.962 -9.191 -1.382 1.00 0.00 C ATOM 1052 CD LYS A 74 -10.884 -10.060 -2.251 1.00 0.00 C ATOM 1053 CE LYS A 74 -10.585 -11.564 -2.201 1.00 0.00 C ATOM 1054 NZ LYS A 74 -11.142 -12.204 -0.996 1.00 0.00 N ATOM 0 H LYS A 74 -9.777 -9.728 2.517 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.553 -8.053 0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.489 -10.423 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.090 -9.712 0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.214 -8.142 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.932 -9.324 -1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.915 -9.898 -1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.809 -9.723 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.997 -12.044 -3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.506 -11.719 -2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.380 -13.194 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.439 -12.173 -0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.000 -11.697 -0.699 1.00 0.00 H new ATOM 1068 N PHE A 75 -9.864 -5.960 1.205 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.576 -4.700 1.094 1.00 0.00 C ATOM 1070 C PHE A 75 -10.145 -4.036 -0.217 1.00 0.00 C ATOM 1071 O PHE A 75 -9.052 -4.295 -0.720 1.00 0.00 O ATOM 1072 CB PHE A 75 -10.292 -3.779 2.293 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.925 -4.082 3.645 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.889 -5.374 4.205 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -11.437 -3.016 4.413 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.323 -5.589 5.524 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.876 -3.231 5.730 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.799 -4.515 6.295 1.00 0.00 C ATOM 0 H PHE A 75 -8.890 -5.858 1.490 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.650 -4.884 1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.212 -3.756 2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.597 -2.772 2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.526 -6.204 3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.492 -2.026 3.985 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.291 -6.582 5.946 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.273 -2.409 6.308 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.105 -4.676 7.318 1.00 0.00 H new ATOM 1088 N LYS A 76 -11.014 -3.195 -0.781 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.735 -2.397 -1.963 1.00 0.00 C ATOM 1090 C LYS A 76 -11.080 -0.950 -1.646 1.00 0.00 C ATOM 1091 O LYS A 76 -11.932 -0.675 -0.800 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.518 -2.873 -3.192 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.932 -4.166 -3.763 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.564 -4.456 -5.130 1.00 0.00 C ATOM 1095 CE LYS A 76 -10.816 -5.563 -5.880 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.455 -5.136 -6.256 1.00 0.00 N ATOM 0 H LYS A 76 -11.955 -3.051 -0.414 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.679 -2.501 -2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.561 -3.034 -2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.504 -2.097 -3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.850 -4.074 -3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.120 -4.995 -3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.605 -4.749 -4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.564 -3.546 -5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.759 -6.454 -5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.373 -5.838 -6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.038 -5.835 -6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.500 -4.210 -6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.866 -5.061 -5.402 1.00 0.00 H new ATOM 1110 N CYS A 77 -10.400 -0.027 -2.321 1.00 0.00 N ATOM 1111 CA CYS A 77 -10.596 1.398 -2.117 1.00 0.00 C ATOM 1112 C CYS A 77 -11.598 1.960 -3.105 1.00 0.00 C ATOM 1113 O CYS A 77 -11.325 1.987 -4.300 1.00 0.00 O ATOM 1114 CB CYS A 77 -9.257 2.126 -2.153 1.00 0.00 C ATOM 1115 SG CYS A 77 -8.568 2.259 -0.497 1.00 0.00 S ATOM 0 H CYS A 77 -9.697 -0.251 -3.025 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.023 1.559 -1.127 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.562 1.591 -2.800 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.388 3.120 -2.580 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.756 2.408 -2.619 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.791 2.992 -3.459 1.00 0.00 C ATOM 1122 C LEU A 78 -13.704 4.512 -3.363 1.00 0.00 C ATOM 1123 O LEU A 78 -13.260 5.064 -2.357 1.00 0.00 O ATOM 1124 CB LEU A 78 -15.187 2.505 -3.054 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.485 1.015 -3.311 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.312 0.639 -4.789 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -14.664 0.062 -2.436 1.00 0.00 C ATOM 0 H LEU A 78 -12.999 2.374 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.629 2.676 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.325 2.704 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.927 3.100 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.531 0.891 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.532 -0.420 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.995 1.232 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.286 0.838 -5.097 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.928 -0.969 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.602 0.217 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.877 0.258 -1.385 1.00 0.00 H new ATOM 1139 N SER A 79 -14.104 5.173 -4.446 1.00 0.00 N ATOM 1140 CA SER A 79 -14.087 6.617 -4.599 1.00 0.00 C ATOM 1141 C SER A 79 -15.156 7.288 -3.731 1.00 0.00 C ATOM 1142 O SER A 79 -15.992 6.617 -3.126 1.00 0.00 O ATOM 1143 CB SER A 79 -14.303 6.930 -6.086 1.00 0.00 C ATOM 1144 OG SER A 79 -13.654 5.958 -6.895 1.00 0.00 O ATOM 0 H SER A 79 -14.463 4.694 -5.272 1.00 0.00 H new ATOM 0 HA SER A 79 -13.129 7.014 -4.264 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.370 6.946 -6.310 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.914 7.922 -6.316 1.00 0.00 H new ATOM 0 HG SER A 79 -13.801 6.169 -7.841 1.00 0.00 H new ATOM 1150 N LYS A 80 -15.129 8.618 -3.702 1.00 0.00 N ATOM 1151 CA LYS A 80 -16.059 9.490 -3.018 1.00 0.00 C ATOM 1152 C LYS A 80 -16.021 10.779 -3.840 1.00 0.00 C ATOM 1153 O LYS A 80 -14.984 10.958 -4.525 1.00 0.00 O ATOM 1154 CB LYS A 80 -15.601 9.715 -1.568 1.00 0.00 C ATOM 1155 CG LYS A 80 -16.626 10.551 -0.791 1.00 0.00 C ATOM 1156 CD LYS A 80 -16.284 10.734 0.695 1.00 0.00 C ATOM 1157 CE LYS A 80 -15.037 11.600 0.930 1.00 0.00 C ATOM 1158 NZ LYS A 80 -13.797 10.805 0.978 1.00 0.00 N ATOM 1159 OXT LYS A 80 -17.013 11.537 -3.792 1.00 0.00 O ATOM 0 H LYS A 80 -14.404 9.143 -4.191 1.00 0.00 H new ATOM 0 HA LYS A 80 -17.069 9.086 -2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.461 8.754 -1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.635 10.220 -1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.708 11.532 -1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.604 10.076 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.134 11.189 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.128 9.755 1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.959 12.341 0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.150 12.147 1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.091 11.298 1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.998 9.872 1.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.425 10.683 0.014 1.00 0.00 H new