USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 568 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 68 CYS SG : rot -164:sc= -0.185 USER MOD Set 1.2: A 71 CYS SG : rot -97:sc= -1.13 USER MOD Set 1.3: A 84 HIS : no HD1:sc= -2.86! K(o=-3.4!,f=-2.8) USER MOD Set 1.4: A 88 CYS SG : rot -39:sc= 0.816 USER MOD Set 2.1: A 40 CYS SG : rot 20:sc= -1.19 USER MOD Set 2.2: A 43 CYS SG : rot -63:sc= -1.55 USER MOD Set 2.3: A 56 HIS : no HD1:sc= -4.15 X(o=-16,f=-16) USER MOD Set 2.4: A 57 MET CE :methyl 176:sc= -3.7! (180deg=-2.65!) USER MOD Set 2.5: A 60 HIS : no HD1:sc= -4.95! C(o=-16!,f=-16!) USER MOD Set 3.1: A 13 CYS SG : rot -162:sc= -0.108 USER MOD Set 3.2: A 15 CYS SG : rot -65:sc= 0.102 USER MOD Set 3.3: A 28 HIS : no HD1:sc= -0.901 K(o=-3.3,f=-3.9) USER MOD Set 3.4: A 31 MET CE :methyl -140:sc= -0.0219 (180deg=-0.234) USER MOD Set 3.5: A 32 HIS : no HD1:sc= -2.33 X(o=-3.3,f=-3.4) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 22 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.292) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.27) USER MOD Single : A 29 MET CE :methyl 139:sc= -0.508 (180deg=-3.1!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -149:sc= 0.773 (180deg=-0.104) USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.258) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0587) USER MOD Single : A 51 HIS : no HD1:sc= -0.886 X(o=-0.89,f=-0.5) USER MOD Single : A 52 HIS : no HD1:sc= -0.306 K(o=-0.31,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 165:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.821 K(o=-0.82,f=-3.3!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 177:sc= 0 (180deg=-0.012) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.056) USER MOD Single : A 86 THR OG1 : rot 53:sc= 1.29 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 66:sc= 0.358 USER MOD Single : A 90 LYS NZ :NH3+ -164:sc=-0.00815 (180deg=-0.137) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 119 N TYR A 11 1.646 6.776 16.610 1.00 0.00 N ATOM 120 CA TYR A 11 3.077 6.638 16.853 1.00 0.00 C ATOM 121 C TYR A 11 3.874 6.884 15.575 1.00 0.00 C ATOM 122 O TYR A 11 3.715 6.190 14.571 1.00 0.00 O ATOM 123 CB TYR A 11 3.391 5.246 17.403 1.00 0.00 C ATOM 124 CG TYR A 11 2.749 4.965 18.742 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.379 4.764 18.850 1.00 0.00 C ATOM 126 CD2 TYR A 11 3.514 4.898 19.901 1.00 0.00 C ATOM 127 CE1 TYR A 11 0.788 4.508 20.073 1.00 0.00 C ATOM 128 CE2 TYR A 11 2.933 4.641 21.127 1.00 0.00 C ATOM 129 CZ TYR A 11 1.569 4.447 21.208 1.00 0.00 C ATOM 130 OH TYR A 11 0.985 4.191 22.427 1.00 0.00 O ATOM 0 HA TYR A 11 3.367 7.387 17.590 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.057 4.497 16.685 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.471 5.137 17.498 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.765 4.809 17.963 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.582 5.050 19.841 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.279 4.357 20.139 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.542 4.592 22.017 1.00 0.00 H new ATOM 0 HH TYR A 11 1.674 4.180 23.124 1.00 0.00 H new ATOM 140 N PRO A 12 4.752 7.898 15.613 1.00 0.00 N ATOM 141 CA PRO A 12 5.592 8.259 14.467 1.00 0.00 C ATOM 142 C PRO A 12 6.663 7.212 14.180 1.00 0.00 C ATOM 143 O PRO A 12 7.352 6.749 15.089 1.00 0.00 O ATOM 144 CB PRO A 12 6.236 9.578 14.902 1.00 0.00 C ATOM 145 CG PRO A 12 6.231 9.529 16.391 1.00 0.00 C ATOM 146 CD PRO A 12 4.993 8.768 16.776 1.00 0.00 C ATOM 0 HA PRO A 12 5.015 8.334 13.546 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.250 9.671 14.512 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.672 10.435 14.532 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.126 9.034 16.768 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.219 10.533 16.814 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.144 8.189 17.687 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.151 9.436 16.959 1.00 0.00 H new ATOM 154 N CYS A 13 6.798 6.844 12.911 1.00 0.00 N ATOM 155 CA CYS A 13 7.785 5.852 12.503 1.00 0.00 C ATOM 156 C CYS A 13 8.888 6.493 11.666 1.00 0.00 C ATOM 157 O CYS A 13 8.666 7.504 11.000 1.00 0.00 O ATOM 158 CB CYS A 13 7.113 4.730 11.707 1.00 0.00 C ATOM 159 SG CYS A 13 8.126 3.225 11.544 1.00 0.00 S ATOM 0 H CYS A 13 6.236 7.218 12.147 1.00 0.00 H new ATOM 0 HA CYS A 13 8.234 5.432 13.403 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.171 4.470 12.190 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.869 5.101 10.711 1.00 0.00 H new ATOM 0 HG CYS A 13 7.666 2.495 10.572 1.00 0.00 H new ATOM 164 N GLN A 14 10.076 5.899 11.707 1.00 0.00 N ATOM 165 CA GLN A 14 11.214 6.413 10.953 1.00 0.00 C ATOM 166 C GLN A 14 10.816 6.729 9.515 1.00 0.00 C ATOM 167 O GLN A 14 11.128 7.800 8.994 1.00 0.00 O ATOM 168 CB GLN A 14 12.361 5.401 10.967 1.00 0.00 C ATOM 169 CG GLN A 14 13.711 6.007 10.621 1.00 0.00 C ATOM 170 CD GLN A 14 14.870 5.107 11.002 1.00 0.00 C ATOM 171 OE1 GLN A 14 15.770 5.513 11.739 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.854 3.877 10.502 1.00 0.00 N ATOM 0 H GLN A 14 10.276 5.062 12.254 1.00 0.00 H new ATOM 0 HA GLN A 14 11.547 7.335 11.429 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.420 4.944 11.955 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.138 4.602 10.259 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.750 6.210 9.551 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.817 6.964 11.131 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.088 3.583 9.896 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.607 3.226 10.724 1.00 0.00 H new ATOM 181 N CYS A 15 10.124 5.789 8.878 1.00 0.00 N ATOM 182 CA CYS A 15 9.684 5.966 7.500 1.00 0.00 C ATOM 183 C CYS A 15 8.865 7.245 7.350 1.00 0.00 C ATOM 184 O CYS A 15 8.855 7.869 6.290 1.00 0.00 O ATOM 185 CB CYS A 15 8.855 4.762 7.048 1.00 0.00 C ATOM 186 SG CYS A 15 7.449 4.376 8.140 1.00 0.00 S ATOM 0 H CYS A 15 9.856 4.897 9.295 1.00 0.00 H new ATOM 0 HA CYS A 15 10.570 6.046 6.870 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.479 4.950 6.042 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.505 3.889 6.988 1.00 0.00 H new ATOM 0 HG CYS A 15 7.893 4.006 9.304 1.00 0.00 H new ATOM 191 N GLY A 16 8.178 7.631 8.422 1.00 0.00 N ATOM 192 CA GLY A 16 7.366 8.833 8.390 1.00 0.00 C ATOM 193 C GLY A 16 5.885 8.535 8.507 1.00 0.00 C ATOM 194 O GLY A 16 5.048 9.414 8.298 1.00 0.00 O ATOM 0 H GLY A 16 8.170 7.132 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.666 9.492 9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.553 9.370 7.460 1.00 0.00 H new ATOM 198 N LYS A 17 5.557 7.291 8.841 1.00 0.00 N ATOM 199 CA LYS A 17 4.167 6.878 8.986 1.00 0.00 C ATOM 200 C LYS A 17 3.694 7.052 10.425 1.00 0.00 C ATOM 201 O LYS A 17 4.455 7.486 11.290 1.00 0.00 O ATOM 202 CB LYS A 17 4.000 5.419 8.556 1.00 0.00 C ATOM 203 CG LYS A 17 4.154 5.204 7.060 1.00 0.00 C ATOM 204 CD LYS A 17 4.266 3.727 6.718 1.00 0.00 C ATOM 205 CE LYS A 17 2.899 3.107 6.472 1.00 0.00 C ATOM 206 NZ LYS A 17 2.404 3.385 5.095 1.00 0.00 N ATOM 0 H LYS A 17 6.237 6.551 9.016 1.00 0.00 H new ATOM 0 HA LYS A 17 3.557 7.513 8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.735 4.808 9.080 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.015 5.068 8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.299 5.635 6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.041 5.729 6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.888 3.604 5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.764 3.201 7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.956 2.030 6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.187 3.497 7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.470 2.946 4.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.326 4.413 4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.070 2.991 4.400 1.00 0.00 H new ATOM 220 N SER A 18 2.435 6.710 10.676 1.00 0.00 N ATOM 221 CA SER A 18 1.860 6.831 12.011 1.00 0.00 C ATOM 222 C SER A 18 0.910 5.673 12.300 1.00 0.00 C ATOM 223 O SER A 18 -0.128 5.530 11.653 1.00 0.00 O ATOM 224 CB SER A 18 1.119 8.162 12.151 1.00 0.00 C ATOM 225 OG SER A 18 0.462 8.509 10.945 1.00 0.00 O ATOM 0 H SER A 18 1.793 6.347 9.972 1.00 0.00 H new ATOM 0 HA SER A 18 2.674 6.799 12.735 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.390 8.093 12.959 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.824 8.947 12.424 1.00 0.00 H new ATOM 0 HG SER A 18 -0.005 9.362 11.061 1.00 0.00 H new ATOM 231 N PHE A 19 1.273 4.849 13.277 1.00 0.00 N ATOM 232 CA PHE A 19 0.454 3.702 13.653 1.00 0.00 C ATOM 233 C PHE A 19 -0.395 4.019 14.881 1.00 0.00 C ATOM 234 O PHE A 19 -0.255 5.079 15.491 1.00 0.00 O ATOM 235 CB PHE A 19 1.340 2.486 13.932 1.00 0.00 C ATOM 236 CG PHE A 19 2.199 2.089 12.766 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.308 2.843 12.418 1.00 0.00 C ATOM 238 CD2 PHE A 19 1.897 0.963 12.017 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.100 2.481 11.345 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.685 0.596 10.943 1.00 0.00 C ATOM 241 CZ PHE A 19 3.789 1.355 10.607 1.00 0.00 C ATOM 0 H PHE A 19 2.128 4.954 13.823 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.213 3.475 12.821 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.980 2.702 14.788 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.708 1.643 14.211 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.556 3.724 12.992 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.036 0.365 12.276 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.961 3.078 11.083 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.438 -0.283 10.367 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.408 1.069 9.769 1.00 0.00 H new ATOM 251 N THR A 20 -1.279 3.092 15.238 1.00 0.00 N ATOM 252 CA THR A 20 -2.152 3.271 16.390 1.00 0.00 C ATOM 253 C THR A 20 -1.543 2.654 17.644 1.00 0.00 C ATOM 254 O THR A 20 -1.824 3.088 18.761 1.00 0.00 O ATOM 255 CB THR A 20 -3.539 2.647 16.147 1.00 0.00 C ATOM 256 OG1 THR A 20 -4.086 3.135 14.916 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.487 2.970 17.292 1.00 0.00 C ATOM 0 H THR A 20 -1.409 2.209 14.744 1.00 0.00 H new ATOM 0 HA THR A 20 -2.265 4.345 16.535 1.00 0.00 H new ATOM 0 HB THR A 20 -3.421 1.565 16.089 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.967 2.733 14.767 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.460 2.519 17.097 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.082 2.572 18.223 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.599 4.051 17.378 1.00 0.00 H new ATOM 265 N HIS A 21 -0.706 1.639 17.451 1.00 0.00 N ATOM 266 CA HIS A 21 -0.055 0.963 18.568 1.00 0.00 C ATOM 267 C HIS A 21 1.454 1.185 18.533 1.00 0.00 C ATOM 268 O HIS A 21 2.021 1.502 17.487 1.00 0.00 O ATOM 269 CB HIS A 21 -0.363 -0.535 18.534 1.00 0.00 C ATOM 270 CG HIS A 21 -1.663 -0.894 19.185 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.905 -0.715 20.531 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.796 -1.423 18.668 1.00 0.00 C ATOM 273 CE1 HIS A 21 -3.130 -1.120 20.813 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.693 -1.554 19.700 1.00 0.00 N ATOM 0 H HIS A 21 -0.463 1.267 16.533 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.445 1.386 19.494 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.381 -0.871 17.497 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.444 -1.075 19.030 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.964 -1.692 17.636 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.593 -1.100 21.789 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.639 -1.926 19.620 1.00 0.00 H new ATOM 282 N LYS A 22 2.098 1.017 19.682 1.00 0.00 N ATOM 283 CA LYS A 22 3.542 1.198 19.784 1.00 0.00 C ATOM 284 C LYS A 22 4.283 0.051 19.105 1.00 0.00 C ATOM 285 O LYS A 22 5.143 0.273 18.253 1.00 0.00 O ATOM 286 CB LYS A 22 3.962 1.293 21.252 1.00 0.00 C ATOM 287 CG LYS A 22 5.467 1.334 21.453 1.00 0.00 C ATOM 288 CD LYS A 22 6.005 2.752 21.349 1.00 0.00 C ATOM 289 CE LYS A 22 7.300 2.915 22.130 1.00 0.00 C ATOM 290 NZ LYS A 22 7.472 4.305 22.633 1.00 0.00 N ATOM 0 H LYS A 22 1.643 0.756 20.557 1.00 0.00 H new ATOM 0 HA LYS A 22 3.804 2.127 19.277 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.521 2.188 21.690 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.555 0.439 21.794 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.716 0.920 22.430 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.952 0.704 20.707 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.176 3.001 20.302 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.261 3.453 21.726 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.307 2.221 22.971 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.144 2.652 21.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.485 4.513 22.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.051 4.974 21.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.000 4.402 23.555 1.00 0.00 H new ATOM 304 N SER A 23 3.943 -1.176 19.487 1.00 0.00 N ATOM 305 CA SER A 23 4.579 -2.358 18.917 1.00 0.00 C ATOM 306 C SER A 23 4.541 -2.313 17.392 1.00 0.00 C ATOM 307 O SER A 23 5.541 -2.585 16.728 1.00 0.00 O ATOM 308 CB SER A 23 3.888 -3.627 19.418 1.00 0.00 C ATOM 309 OG SER A 23 4.610 -4.786 19.039 1.00 0.00 O ATOM 0 H SER A 23 3.231 -1.377 20.189 1.00 0.00 H new ATOM 0 HA SER A 23 5.621 -2.370 19.237 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.797 -3.591 20.504 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.877 -3.677 19.015 1.00 0.00 H new ATOM 0 HG SER A 23 4.148 -5.583 19.373 1.00 0.00 H new ATOM 315 N GLN A 24 3.380 -1.967 16.846 1.00 0.00 N ATOM 316 CA GLN A 24 3.211 -1.887 15.400 1.00 0.00 C ATOM 317 C GLN A 24 4.245 -0.953 14.781 1.00 0.00 C ATOM 318 O GLN A 24 4.869 -1.282 13.772 1.00 0.00 O ATOM 319 CB GLN A 24 1.800 -1.404 15.056 1.00 0.00 C ATOM 320 CG GLN A 24 0.794 -2.532 14.895 1.00 0.00 C ATOM 321 CD GLN A 24 1.166 -3.493 13.783 1.00 0.00 C ATOM 322 OE1 GLN A 24 1.463 -4.662 14.031 1.00 0.00 O ATOM 323 NE2 GLN A 24 1.152 -3.004 12.549 1.00 0.00 N ATOM 0 H GLN A 24 2.543 -1.738 17.382 1.00 0.00 H new ATOM 0 HA GLN A 24 3.357 -2.885 14.987 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.455 -0.729 15.839 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.838 -0.827 14.132 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.717 -3.081 15.833 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.190 -2.110 14.691 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.900 -2.029 12.390 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.394 -3.604 11.760 1.00 0.00 H new ATOM 332 N ARG A 25 4.422 0.214 15.393 1.00 0.00 N ATOM 333 CA ARG A 25 5.380 1.197 14.902 1.00 0.00 C ATOM 334 C ARG A 25 6.812 0.717 15.121 1.00 0.00 C ATOM 335 O ARG A 25 7.679 0.908 14.268 1.00 0.00 O ATOM 336 CB ARG A 25 5.169 2.541 15.601 1.00 0.00 C ATOM 337 CG ARG A 25 6.173 3.606 15.191 1.00 0.00 C ATOM 338 CD ARG A 25 7.390 3.604 16.102 1.00 0.00 C ATOM 339 NE ARG A 25 7.074 4.103 17.438 1.00 0.00 N ATOM 340 CZ ARG A 25 7.981 4.611 18.265 1.00 0.00 C ATOM 341 NH1 ARG A 25 9.252 4.688 17.896 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.616 5.044 19.465 1.00 0.00 N ATOM 0 H ARG A 25 3.914 0.501 16.230 1.00 0.00 H new ATOM 0 HA ARG A 25 5.216 1.323 13.832 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.163 2.900 15.384 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.229 2.393 16.679 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.487 3.434 14.162 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.697 4.586 15.220 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.785 2.591 16.177 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.174 4.220 15.661 1.00 0.00 H new ATOM 0 HE ARG A 25 6.105 4.059 17.753 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.536 4.357 16.974 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.945 5.079 18.534 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.639 4.987 19.752 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.312 5.434 20.100 1.00 0.00 H new ATOM 356 N ASP A 26 7.053 0.095 16.271 1.00 0.00 N ATOM 357 CA ASP A 26 8.379 -0.412 16.602 1.00 0.00 C ATOM 358 C ASP A 26 8.822 -1.472 15.599 1.00 0.00 C ATOM 359 O ASP A 26 9.907 -1.382 15.025 1.00 0.00 O ATOM 360 CB ASP A 26 8.386 -0.995 18.016 1.00 0.00 C ATOM 361 CG ASP A 26 9.742 -1.548 18.408 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.213 -2.494 17.742 1.00 0.00 O ATOM 363 OD2 ASP A 26 10.334 -1.034 19.380 1.00 0.00 O ATOM 0 H ASP A 26 6.347 -0.070 16.989 1.00 0.00 H new ATOM 0 HA ASP A 26 9.081 0.420 16.557 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.093 -0.222 18.726 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.641 -1.788 18.083 1.00 0.00 H new ATOM 368 N ARG A 27 7.976 -2.476 15.395 1.00 0.00 N ATOM 369 CA ARG A 27 8.281 -3.555 14.463 1.00 0.00 C ATOM 370 C ARG A 27 8.543 -3.007 13.063 1.00 0.00 C ATOM 371 O ARG A 27 9.377 -3.532 12.325 1.00 0.00 O ATOM 372 CB ARG A 27 7.130 -4.562 14.420 1.00 0.00 C ATOM 373 CG ARG A 27 5.881 -4.031 13.737 1.00 0.00 C ATOM 374 CD ARG A 27 4.907 -5.151 13.406 1.00 0.00 C ATOM 375 NE ARG A 27 4.542 -5.925 14.590 1.00 0.00 N ATOM 376 CZ ARG A 27 5.030 -7.131 14.859 1.00 0.00 C ATOM 377 NH1 ARG A 27 5.899 -7.697 14.033 1.00 0.00 N ATOM 378 NH2 ARG A 27 4.649 -7.772 15.956 1.00 0.00 N ATOM 0 H ARG A 27 7.074 -2.565 15.863 1.00 0.00 H new ATOM 0 HA ARG A 27 9.182 -4.058 14.813 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.464 -5.460 13.901 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.879 -4.858 15.439 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.393 -3.303 14.385 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.160 -3.508 12.822 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.008 -4.729 12.957 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.354 -5.812 12.664 1.00 0.00 H new ATOM 0 HE ARG A 27 3.876 -5.517 15.246 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.194 -7.206 13.189 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.272 -8.623 14.242 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.981 -7.339 16.594 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.024 -8.698 16.162 1.00 0.00 H new ATOM 392 N HIS A 28 7.824 -1.947 12.704 1.00 0.00 N ATOM 393 CA HIS A 28 7.979 -1.328 11.393 1.00 0.00 C ATOM 394 C HIS A 28 9.347 -0.664 11.264 1.00 0.00 C ATOM 395 O HIS A 28 9.978 -0.721 10.208 1.00 0.00 O ATOM 396 CB HIS A 28 6.875 -0.296 11.159 1.00 0.00 C ATOM 397 CG HIS A 28 6.514 -0.121 9.716 1.00 0.00 C ATOM 398 ND1 HIS A 28 6.874 0.987 8.979 1.00 0.00 N ATOM 399 CD2 HIS A 28 5.822 -0.923 8.874 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.417 0.860 7.746 1.00 0.00 C ATOM 401 NE2 HIS A 28 5.776 -0.291 7.656 1.00 0.00 N ATOM 0 H HIS A 28 7.129 -1.500 13.302 1.00 0.00 H new ATOM 0 HA HIS A 28 7.901 -2.110 10.638 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.986 -0.595 11.714 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.195 0.664 11.564 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.387 -1.882 9.115 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.546 1.576 6.948 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.321 -0.652 6.818 1.00 0.00 H new ATOM 409 N MET A 29 9.799 -0.035 12.344 1.00 0.00 N ATOM 410 CA MET A 29 11.092 0.639 12.350 1.00 0.00 C ATOM 411 C MET A 29 12.225 -0.357 12.123 1.00 0.00 C ATOM 412 O MET A 29 13.121 -0.118 11.313 1.00 0.00 O ATOM 413 CB MET A 29 11.302 1.373 13.676 1.00 0.00 C ATOM 414 CG MET A 29 10.787 2.803 13.666 1.00 0.00 C ATOM 415 SD MET A 29 11.613 3.847 14.883 1.00 0.00 S ATOM 416 CE MET A 29 13.320 3.685 14.364 1.00 0.00 C ATOM 0 H MET A 29 9.289 0.022 13.226 1.00 0.00 H new ATOM 0 HA MET A 29 11.100 1.364 11.536 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.801 0.821 14.471 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.366 1.380 13.914 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.928 3.229 12.673 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.715 2.800 13.863 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.813 4.655 14.428 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.832 2.974 15.013 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.355 3.327 13.335 1.00 0.00 H new ATOM 426 N SER A 30 12.179 -1.474 12.842 1.00 0.00 N ATOM 427 CA SER A 30 13.204 -2.504 12.721 1.00 0.00 C ATOM 428 C SER A 30 13.345 -2.962 11.272 1.00 0.00 C ATOM 429 O SER A 30 14.455 -3.132 10.769 1.00 0.00 O ATOM 430 CB SER A 30 12.864 -3.699 13.614 1.00 0.00 C ATOM 431 OG SER A 30 12.880 -3.332 14.983 1.00 0.00 O ATOM 0 H SER A 30 11.443 -1.689 13.514 1.00 0.00 H new ATOM 0 HA SER A 30 14.154 -2.077 13.043 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.880 -4.087 13.349 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.580 -4.502 13.441 1.00 0.00 H new ATOM 0 HG SER A 30 12.658 -4.112 15.533 1.00 0.00 H new ATOM 437 N MET A 31 12.212 -3.160 10.607 1.00 0.00 N ATOM 438 CA MET A 31 12.208 -3.598 9.216 1.00 0.00 C ATOM 439 C MET A 31 13.148 -2.740 8.375 1.00 0.00 C ATOM 440 O MET A 31 14.111 -3.242 7.795 1.00 0.00 O ATOM 441 CB MET A 31 10.791 -3.535 8.643 1.00 0.00 C ATOM 442 CG MET A 31 9.822 -4.495 9.314 1.00 0.00 C ATOM 443 SD MET A 31 8.496 -5.026 8.213 1.00 0.00 S ATOM 444 CE MET A 31 7.827 -3.445 7.701 1.00 0.00 C ATOM 0 H MET A 31 11.284 -3.024 11.009 1.00 0.00 H new ATOM 0 HA MET A 31 12.559 -4.630 9.184 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.412 -2.518 8.745 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.829 -3.756 7.576 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.369 -5.370 9.666 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.390 -4.014 10.192 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.739 -3.506 7.661 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.122 -2.677 8.416 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.212 -3.189 6.714 1.00 0.00 H new ATOM 454 N HIS A 32 12.861 -1.443 8.311 1.00 0.00 N ATOM 455 CA HIS A 32 13.682 -0.516 7.540 1.00 0.00 C ATOM 456 C HIS A 32 15.152 -0.919 7.592 1.00 0.00 C ATOM 457 O HIS A 32 15.839 -0.936 6.569 1.00 0.00 O ATOM 458 CB HIS A 32 13.513 0.909 8.069 1.00 0.00 C ATOM 459 CG HIS A 32 12.083 1.341 8.180 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.102 0.930 7.301 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.469 2.151 9.074 1.00 0.00 C ATOM 462 CE1 HIS A 32 9.948 1.471 7.649 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.144 2.216 8.722 1.00 0.00 N ATOM 0 H HIS A 32 12.067 -1.011 8.783 1.00 0.00 H new ATOM 0 HA HIS A 32 13.350 -0.553 6.502 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.983 0.982 9.050 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.042 1.598 7.410 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.935 2.653 9.909 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.005 1.328 7.142 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.427 2.753 9.210 1.00 0.00 H new ATOM 582 N CYS A 40 10.231 -3.035 -5.642 1.00 0.00 N ATOM 583 CA CYS A 40 9.228 -2.921 -6.694 1.00 0.00 C ATOM 584 C CYS A 40 7.838 -2.707 -6.100 1.00 0.00 C ATOM 585 O CYS A 40 7.251 -3.620 -5.522 1.00 0.00 O ATOM 586 CB CYS A 40 9.232 -4.176 -7.569 1.00 0.00 C ATOM 587 SG CYS A 40 7.843 -4.268 -8.744 1.00 0.00 S ATOM 0 HA CYS A 40 9.479 -2.056 -7.308 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.168 -4.215 -8.126 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.208 -5.055 -6.925 1.00 0.00 H new ATOM 0 HG CYS A 40 7.345 -3.080 -8.921 1.00 0.00 H new ATOM 592 N GLY A 41 7.319 -1.492 -6.248 1.00 0.00 N ATOM 593 CA GLY A 41 6.003 -1.179 -5.722 1.00 0.00 C ATOM 594 C GLY A 41 4.887 -1.639 -6.639 1.00 0.00 C ATOM 595 O GLY A 41 3.830 -1.013 -6.705 1.00 0.00 O ATOM 0 H GLY A 41 7.786 -0.719 -6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.884 -1.649 -4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.923 -0.103 -5.569 1.00 0.00 H new ATOM 599 N VAL A 42 5.123 -2.737 -7.349 1.00 0.00 N ATOM 600 CA VAL A 42 4.130 -3.282 -8.268 1.00 0.00 C ATOM 601 C VAL A 42 3.769 -4.717 -7.900 1.00 0.00 C ATOM 602 O VAL A 42 2.601 -5.104 -7.937 1.00 0.00 O ATOM 603 CB VAL A 42 4.632 -3.247 -9.723 1.00 0.00 C ATOM 604 CG1 VAL A 42 3.565 -3.774 -10.670 1.00 0.00 C ATOM 605 CG2 VAL A 42 5.048 -1.835 -10.109 1.00 0.00 C ATOM 0 H VAL A 42 5.993 -3.267 -7.306 1.00 0.00 H new ATOM 0 HA VAL A 42 3.243 -2.654 -8.183 1.00 0.00 H new ATOM 0 HB VAL A 42 5.506 -3.894 -9.803 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.939 -3.741 -11.693 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.320 -4.803 -10.406 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.671 -3.156 -10.590 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.400 -1.829 -11.141 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.194 -1.165 -10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.849 -1.499 -9.450 1.00 0.00 H new ATOM 615 N CYS A 43 4.781 -5.502 -7.546 1.00 0.00 N ATOM 616 CA CYS A 43 4.572 -6.896 -7.171 1.00 0.00 C ATOM 617 C CYS A 43 5.059 -7.155 -5.748 1.00 0.00 C ATOM 618 O CYS A 43 4.413 -7.866 -4.980 1.00 0.00 O ATOM 619 CB CYS A 43 5.299 -7.823 -8.147 1.00 0.00 C ATOM 620 SG CYS A 43 7.108 -7.851 -7.938 1.00 0.00 S ATOM 0 H CYS A 43 5.754 -5.197 -7.511 1.00 0.00 H new ATOM 0 HA CYS A 43 3.502 -7.101 -7.214 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.914 -8.835 -8.025 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.066 -7.514 -9.166 1.00 0.00 H new ATOM 0 HG CYS A 43 7.591 -6.668 -8.179 1.00 0.00 H new ATOM 625 N GLY A 44 6.204 -6.572 -5.405 1.00 0.00 N ATOM 626 CA GLY A 44 6.758 -6.752 -4.075 1.00 0.00 C ATOM 627 C GLY A 44 8.151 -7.348 -4.104 1.00 0.00 C ATOM 628 O GLY A 44 8.546 -8.066 -3.185 1.00 0.00 O ATOM 0 H GLY A 44 6.757 -5.979 -6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.788 -5.790 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.101 -7.400 -3.495 1.00 0.00 H new ATOM 632 N LYS A 45 8.898 -7.053 -5.162 1.00 0.00 N ATOM 633 CA LYS A 45 10.255 -7.565 -5.309 1.00 0.00 C ATOM 634 C LYS A 45 11.278 -6.534 -4.845 1.00 0.00 C ATOM 635 O LYS A 45 10.922 -5.422 -4.455 1.00 0.00 O ATOM 636 CB LYS A 45 10.524 -7.947 -6.766 1.00 0.00 C ATOM 637 CG LYS A 45 10.148 -9.381 -7.098 1.00 0.00 C ATOM 638 CD LYS A 45 11.047 -9.956 -8.179 1.00 0.00 C ATOM 639 CE LYS A 45 12.254 -10.665 -7.582 1.00 0.00 C ATOM 640 NZ LYS A 45 13.319 -9.704 -7.182 1.00 0.00 N ATOM 0 H LYS A 45 8.586 -6.461 -5.932 1.00 0.00 H new ATOM 0 HA LYS A 45 10.351 -8.453 -4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.967 -7.274 -7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.582 -7.798 -6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.219 -9.994 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.110 -9.419 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.479 -10.656 -8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.383 -9.155 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.942 -11.244 -6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.656 -11.372 -8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.250 -10.156 -7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.274 -8.862 -7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.178 -9.422 -6.191 1.00 0.00 H new ATOM 654 N LYS A 46 12.552 -6.909 -4.892 1.00 0.00 N ATOM 655 CA LYS A 46 13.629 -6.016 -4.479 1.00 0.00 C ATOM 656 C LYS A 46 14.890 -6.269 -5.299 1.00 0.00 C ATOM 657 O LYS A 46 15.022 -7.306 -5.950 1.00 0.00 O ATOM 658 CB LYS A 46 13.930 -6.201 -2.990 1.00 0.00 C ATOM 659 CG LYS A 46 12.797 -5.758 -2.081 1.00 0.00 C ATOM 660 CD LYS A 46 13.284 -5.512 -0.663 1.00 0.00 C ATOM 661 CE LYS A 46 13.266 -6.790 0.162 1.00 0.00 C ATOM 662 NZ LYS A 46 14.536 -7.555 0.027 1.00 0.00 N ATOM 0 H LYS A 46 12.864 -7.826 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 46 13.304 -4.990 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.148 -7.252 -2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.829 -5.639 -2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.348 -4.847 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.017 -6.520 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.296 -5.109 -0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.654 -4.761 -0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.101 -6.543 1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.430 -7.415 -0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.642 -8.198 0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.516 -8.108 -0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.339 -6.894 0.003 1.00 0.00 H new ATOM 676 N PHE A 47 15.815 -5.316 -5.263 1.00 0.00 N ATOM 677 CA PHE A 47 17.066 -5.436 -6.002 1.00 0.00 C ATOM 678 C PHE A 47 18.130 -4.506 -5.427 1.00 0.00 C ATOM 679 O PHE A 47 17.979 -3.284 -5.446 1.00 0.00 O ATOM 680 CB PHE A 47 16.841 -5.119 -7.482 1.00 0.00 C ATOM 681 CG PHE A 47 15.641 -5.807 -8.067 1.00 0.00 C ATOM 682 CD1 PHE A 47 14.365 -5.323 -7.831 1.00 0.00 C ATOM 683 CD2 PHE A 47 15.790 -6.938 -8.854 1.00 0.00 C ATOM 684 CE1 PHE A 47 13.259 -5.955 -8.368 1.00 0.00 C ATOM 685 CE2 PHE A 47 14.688 -7.574 -9.393 1.00 0.00 C ATOM 686 CZ PHE A 47 13.421 -7.082 -9.151 1.00 0.00 C ATOM 0 H PHE A 47 15.722 -4.452 -4.730 1.00 0.00 H new ATOM 0 HA PHE A 47 17.418 -6.463 -5.907 1.00 0.00 H new ATOM 0 HB2 PHE A 47 16.726 -4.042 -7.601 1.00 0.00 H new ATOM 0 HB3 PHE A 47 17.727 -5.409 -8.046 1.00 0.00 H new ATOM 0 HD1 PHE A 47 14.233 -4.442 -7.221 1.00 0.00 H new ATOM 0 HD2 PHE A 47 16.779 -7.327 -9.048 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.269 -5.568 -8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.818 -8.456 -10.003 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.559 -7.577 -9.573 1.00 0.00 H new ATOM 696 N LYS A 48 19.206 -5.092 -4.914 1.00 0.00 N ATOM 697 CA LYS A 48 20.296 -4.318 -4.333 1.00 0.00 C ATOM 698 C LYS A 48 20.797 -3.262 -5.314 1.00 0.00 C ATOM 699 O LYS A 48 21.201 -2.172 -4.912 1.00 0.00 O ATOM 700 CB LYS A 48 21.448 -5.243 -3.931 1.00 0.00 C ATOM 701 CG LYS A 48 22.370 -4.645 -2.883 1.00 0.00 C ATOM 702 CD LYS A 48 23.400 -5.655 -2.406 1.00 0.00 C ATOM 703 CE LYS A 48 23.991 -5.256 -1.062 1.00 0.00 C ATOM 704 NZ LYS A 48 24.793 -6.357 -0.460 1.00 0.00 N ATOM 0 H LYS A 48 19.347 -6.102 -4.889 1.00 0.00 H new ATOM 0 HA LYS A 48 19.916 -3.813 -3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.036 -6.178 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.031 -5.490 -4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.878 -3.774 -3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.781 -4.296 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.936 -6.638 -2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 48 24.197 -5.740 -3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.621 -4.376 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.187 -4.977 -0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 25.178 -6.046 0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.186 -7.189 -0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 25.575 -6.606 -1.099 1.00 0.00 H new ATOM 718 N MET A 49 20.765 -3.594 -6.600 1.00 0.00 N ATOM 719 CA MET A 49 21.213 -2.672 -7.638 1.00 0.00 C ATOM 720 C MET A 49 20.024 -2.026 -8.342 1.00 0.00 C ATOM 721 O MET A 49 18.875 -2.408 -8.119 1.00 0.00 O ATOM 722 CB MET A 49 22.088 -3.404 -8.657 1.00 0.00 C ATOM 723 CG MET A 49 23.270 -4.128 -8.034 1.00 0.00 C ATOM 724 SD MET A 49 24.703 -3.055 -7.812 1.00 0.00 S ATOM 725 CE MET A 49 25.920 -4.232 -7.229 1.00 0.00 C ATOM 0 H MET A 49 20.434 -4.494 -6.949 1.00 0.00 H new ATOM 0 HA MET A 49 21.801 -1.887 -7.162 1.00 0.00 H new ATOM 0 HB2 MET A 49 21.475 -4.125 -9.198 1.00 0.00 H new ATOM 0 HB3 MET A 49 22.457 -2.686 -9.389 1.00 0.00 H new ATOM 0 HG2 MET A 49 22.973 -4.536 -7.068 1.00 0.00 H new ATOM 0 HG3 MET A 49 23.547 -4.973 -8.665 1.00 0.00 H new ATOM 0 HE1 MET A 49 26.864 -3.719 -7.046 1.00 0.00 H new ATOM 0 HE2 MET A 49 25.570 -4.689 -6.303 1.00 0.00 H new ATOM 0 HE3 MET A 49 26.068 -5.006 -7.982 1.00 0.00 H new ATOM 735 N LYS A 50 20.307 -1.045 -9.192 1.00 0.00 N ATOM 736 CA LYS A 50 19.261 -0.346 -9.930 1.00 0.00 C ATOM 737 C LYS A 50 18.967 -1.047 -11.252 1.00 0.00 C ATOM 738 O LYS A 50 17.856 -0.963 -11.777 1.00 0.00 O ATOM 739 CB LYS A 50 19.674 1.104 -10.190 1.00 0.00 C ATOM 740 CG LYS A 50 20.691 1.255 -11.308 1.00 0.00 C ATOM 741 CD LYS A 50 22.106 1.360 -10.765 1.00 0.00 C ATOM 742 CE LYS A 50 22.386 2.745 -10.202 1.00 0.00 C ATOM 743 NZ LYS A 50 22.571 3.755 -11.281 1.00 0.00 N ATOM 0 H LYS A 50 21.252 -0.716 -9.387 1.00 0.00 H new ATOM 0 HA LYS A 50 18.355 -0.356 -9.324 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.787 1.687 -10.436 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.088 1.525 -9.274 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.622 0.401 -11.982 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.459 2.144 -11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.254 0.613 -9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.819 1.138 -11.559 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.561 3.049 -9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.280 2.710 -9.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.941 4.637 -10.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 23.244 3.391 -11.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.657 3.943 -11.741 1.00 0.00 H new ATOM 757 N HIS A 51 19.968 -1.740 -11.785 1.00 0.00 N ATOM 758 CA HIS A 51 19.816 -2.458 -13.046 1.00 0.00 C ATOM 759 C HIS A 51 19.160 -3.818 -12.821 1.00 0.00 C ATOM 760 O HIS A 51 18.470 -4.338 -13.698 1.00 0.00 O ATOM 761 CB HIS A 51 21.175 -2.640 -13.721 1.00 0.00 C ATOM 762 CG HIS A 51 22.218 -3.228 -12.821 1.00 0.00 C ATOM 763 ND1 HIS A 51 23.178 -2.469 -12.186 1.00 0.00 N ATOM 764 CD2 HIS A 51 22.446 -4.509 -12.449 1.00 0.00 C ATOM 765 CE1 HIS A 51 23.953 -3.258 -11.464 1.00 0.00 C ATOM 766 NE2 HIS A 51 23.530 -4.501 -11.606 1.00 0.00 N ATOM 0 H HIS A 51 20.893 -1.820 -11.363 1.00 0.00 H new ATOM 0 HA HIS A 51 19.172 -1.867 -13.697 1.00 0.00 H new ATOM 0 HB2 HIS A 51 21.055 -3.283 -14.593 1.00 0.00 H new ATOM 0 HB3 HIS A 51 21.523 -1.673 -14.084 1.00 0.00 H new ATOM 0 HD2 HIS A 51 21.881 -5.376 -12.758 1.00 0.00 H new ATOM 0 HE1 HIS A 51 24.790 -2.941 -10.860 1.00 0.00 H new ATOM 0 HE2 HIS A 51 23.942 -5.322 -11.162 1.00 0.00 H new ATOM 774 N HIS A 52 19.381 -4.388 -11.641 1.00 0.00 N ATOM 775 CA HIS A 52 18.812 -5.687 -11.301 1.00 0.00 C ATOM 776 C HIS A 52 17.290 -5.609 -11.218 1.00 0.00 C ATOM 777 O HIS A 52 16.596 -6.607 -11.412 1.00 0.00 O ATOM 778 CB HIS A 52 19.381 -6.185 -9.972 1.00 0.00 C ATOM 779 CG HIS A 52 20.678 -6.921 -10.114 1.00 0.00 C ATOM 780 ND1 HIS A 52 21.725 -6.778 -9.228 1.00 0.00 N ATOM 781 CD2 HIS A 52 21.093 -7.811 -11.045 1.00 0.00 C ATOM 782 CE1 HIS A 52 22.729 -7.548 -9.609 1.00 0.00 C ATOM 783 NE2 HIS A 52 22.371 -8.186 -10.709 1.00 0.00 N ATOM 0 H HIS A 52 19.950 -3.971 -10.904 1.00 0.00 H new ATOM 0 HA HIS A 52 19.080 -6.390 -12.089 1.00 0.00 H new ATOM 0 HB2 HIS A 52 19.527 -5.334 -9.307 1.00 0.00 H new ATOM 0 HB3 HIS A 52 18.651 -6.840 -9.496 1.00 0.00 H new ATOM 0 HD2 HIS A 52 20.525 -8.161 -11.894 1.00 0.00 H new ATOM 0 HE1 HIS A 52 23.681 -7.640 -9.107 1.00 0.00 H new ATOM 0 HE2 HIS A 52 22.949 -8.849 -11.225 1.00 0.00 H new ATOM 791 N LEU A 53 16.779 -4.418 -10.929 1.00 0.00 N ATOM 792 CA LEU A 53 15.339 -4.209 -10.821 1.00 0.00 C ATOM 793 C LEU A 53 14.715 -3.992 -12.196 1.00 0.00 C ATOM 794 O LEU A 53 13.637 -4.510 -12.489 1.00 0.00 O ATOM 795 CB LEU A 53 15.044 -3.009 -9.919 1.00 0.00 C ATOM 796 CG LEU A 53 13.626 -2.442 -9.998 1.00 0.00 C ATOM 797 CD1 LEU A 53 12.615 -3.462 -9.497 1.00 0.00 C ATOM 798 CD2 LEU A 53 13.523 -1.150 -9.201 1.00 0.00 C ATOM 0 H LEU A 53 17.340 -3.582 -10.765 1.00 0.00 H new ATOM 0 HA LEU A 53 14.899 -5.104 -10.380 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.241 -3.299 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.746 -2.213 -10.166 1.00 0.00 H new ATOM 0 HG LEU A 53 13.401 -2.220 -11.041 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.612 -3.041 -9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.671 -4.361 -10.110 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.837 -3.716 -8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.507 -0.761 -9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.768 -1.346 -8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.220 -0.416 -9.606 1.00 0.00 H new ATOM 810 N VAL A 54 15.401 -3.224 -13.036 1.00 0.00 N ATOM 811 CA VAL A 54 14.916 -2.941 -14.382 1.00 0.00 C ATOM 812 C VAL A 54 14.585 -4.228 -15.129 1.00 0.00 C ATOM 813 O VAL A 54 13.454 -4.429 -15.570 1.00 0.00 O ATOM 814 CB VAL A 54 15.951 -2.140 -15.195 1.00 0.00 C ATOM 815 CG1 VAL A 54 15.615 -2.185 -16.678 1.00 0.00 C ATOM 816 CG2 VAL A 54 16.022 -0.704 -14.699 1.00 0.00 C ATOM 0 H VAL A 54 16.294 -2.787 -12.809 1.00 0.00 H new ATOM 0 HA VAL A 54 14.010 -2.345 -14.273 1.00 0.00 H new ATOM 0 HB VAL A 54 16.931 -2.597 -15.055 1.00 0.00 H new ATOM 0 HG11 VAL A 54 16.357 -1.614 -17.237 1.00 0.00 H new ATOM 0 HG12 VAL A 54 15.620 -3.220 -17.021 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.627 -1.754 -16.841 1.00 0.00 H new ATOM 0 HG21 VAL A 54 16.758 -0.153 -15.284 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.045 -0.233 -14.808 1.00 0.00 H new ATOM 0 HG23 VAL A 54 16.314 -0.696 -13.649 1.00 0.00 H new ATOM 826 N GLY A 55 15.580 -5.099 -15.267 1.00 0.00 N ATOM 827 CA GLY A 55 15.375 -6.356 -15.961 1.00 0.00 C ATOM 828 C GLY A 55 14.098 -7.053 -15.533 1.00 0.00 C ATOM 829 O GLY A 55 13.563 -7.889 -16.263 1.00 0.00 O ATOM 0 H GLY A 55 16.525 -4.956 -14.910 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.343 -6.174 -17.035 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.224 -7.013 -15.774 1.00 0.00 H new ATOM 833 N HIS A 56 13.608 -6.710 -14.346 1.00 0.00 N ATOM 834 CA HIS A 56 12.386 -7.309 -13.821 1.00 0.00 C ATOM 835 C HIS A 56 11.180 -6.417 -14.099 1.00 0.00 C ATOM 836 O HIS A 56 10.124 -6.895 -14.510 1.00 0.00 O ATOM 837 CB HIS A 56 12.518 -7.554 -12.318 1.00 0.00 C ATOM 838 CG HIS A 56 11.214 -7.494 -11.584 1.00 0.00 C ATOM 839 ND1 HIS A 56 10.305 -8.530 -11.579 1.00 0.00 N ATOM 840 CD2 HIS A 56 10.669 -6.513 -10.827 1.00 0.00 C ATOM 841 CE1 HIS A 56 9.256 -8.189 -10.852 1.00 0.00 C ATOM 842 NE2 HIS A 56 9.452 -6.970 -10.383 1.00 0.00 N ATOM 0 H HIS A 56 14.038 -6.021 -13.730 1.00 0.00 H new ATOM 0 HA HIS A 56 12.233 -8.263 -14.325 1.00 0.00 H new ATOM 0 HB2 HIS A 56 12.972 -8.532 -12.156 1.00 0.00 H new ATOM 0 HB3 HIS A 56 13.197 -6.813 -11.896 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.109 -5.550 -10.612 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.386 -8.803 -10.672 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.805 -6.452 -9.788 1.00 0.00 H new ATOM 850 N MET A 57 11.347 -5.118 -13.871 1.00 0.00 N ATOM 851 CA MET A 57 10.271 -4.159 -14.097 1.00 0.00 C ATOM 852 C MET A 57 9.663 -4.341 -15.484 1.00 0.00 C ATOM 853 O MET A 57 8.472 -4.106 -15.687 1.00 0.00 O ATOM 854 CB MET A 57 10.793 -2.729 -13.940 1.00 0.00 C ATOM 855 CG MET A 57 11.304 -2.419 -12.542 1.00 0.00 C ATOM 856 SD MET A 57 10.054 -1.640 -11.502 1.00 0.00 S ATOM 857 CE MET A 57 8.731 -2.842 -11.605 1.00 0.00 C ATOM 0 H MET A 57 12.216 -4.706 -13.530 1.00 0.00 H new ATOM 0 HA MET A 57 9.495 -4.339 -13.353 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.597 -2.564 -14.657 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.995 -2.030 -14.190 1.00 0.00 H new ATOM 0 HG2 MET A 57 11.640 -3.342 -12.069 1.00 0.00 H new ATOM 0 HG3 MET A 57 12.172 -1.763 -12.614 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.911 -2.537 -10.955 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.375 -2.904 -12.633 1.00 0.00 H new ATOM 0 HE3 MET A 57 9.100 -3.818 -11.289 1.00 0.00 H new ATOM 867 N LYS A 58 10.489 -4.762 -16.436 1.00 0.00 N ATOM 868 CA LYS A 58 10.033 -4.977 -17.805 1.00 0.00 C ATOM 869 C LYS A 58 8.794 -5.866 -17.832 1.00 0.00 C ATOM 870 O LYS A 58 7.950 -5.743 -18.720 1.00 0.00 O ATOM 871 CB LYS A 58 11.147 -5.610 -18.641 1.00 0.00 C ATOM 872 CG LYS A 58 12.269 -4.647 -18.990 1.00 0.00 C ATOM 873 CD LYS A 58 13.432 -5.363 -19.655 1.00 0.00 C ATOM 874 CE LYS A 58 14.379 -4.382 -20.330 1.00 0.00 C ATOM 875 NZ LYS A 58 13.996 -4.128 -21.746 1.00 0.00 N ATOM 0 H LYS A 58 11.478 -4.961 -16.285 1.00 0.00 H new ATOM 0 HA LYS A 58 9.773 -4.008 -18.232 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.563 -6.457 -18.095 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.719 -6.005 -19.562 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.890 -3.871 -19.655 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.617 -4.149 -18.085 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.977 -5.943 -18.910 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.052 -6.069 -20.393 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.380 -3.441 -19.780 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.395 -4.774 -20.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.665 -3.455 -22.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.019 -5.022 -22.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.036 -3.730 -21.780 1.00 0.00 H new ATOM 889 N ILE A 59 8.691 -6.760 -16.854 1.00 0.00 N ATOM 890 CA ILE A 59 7.554 -7.667 -16.766 1.00 0.00 C ATOM 891 C ILE A 59 6.264 -6.905 -16.480 1.00 0.00 C ATOM 892 O ILE A 59 5.196 -7.263 -16.977 1.00 0.00 O ATOM 893 CB ILE A 59 7.764 -8.728 -15.670 1.00 0.00 C ATOM 894 CG1 ILE A 59 7.384 -8.161 -14.301 1.00 0.00 C ATOM 895 CG2 ILE A 59 9.207 -9.209 -15.668 1.00 0.00 C ATOM 896 CD1 ILE A 59 7.535 -9.156 -13.171 1.00 0.00 C ATOM 0 H ILE A 59 9.381 -6.875 -16.112 1.00 0.00 H new ATOM 0 HA ILE A 59 7.472 -8.166 -17.732 1.00 0.00 H new ATOM 0 HB ILE A 59 7.118 -9.580 -15.881 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.005 -7.290 -14.093 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.351 -7.815 -14.334 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.340 -9.959 -14.888 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.446 -9.648 -16.637 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.871 -8.366 -15.478 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.248 -8.685 -12.231 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.893 -10.017 -13.356 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.573 -9.484 -13.111 1.00 0.00 H new ATOM 908 N HIS A 60 6.371 -5.852 -15.676 1.00 0.00 N ATOM 909 CA HIS A 60 5.214 -5.037 -15.325 1.00 0.00 C ATOM 910 C HIS A 60 4.928 -4.003 -16.410 1.00 0.00 C ATOM 911 O HIS A 60 3.836 -3.970 -16.980 1.00 0.00 O ATOM 912 CB HIS A 60 5.444 -4.336 -13.986 1.00 0.00 C ATOM 913 CG HIS A 60 5.529 -5.278 -12.824 1.00 0.00 C ATOM 914 ND1 HIS A 60 4.578 -6.243 -12.567 1.00 0.00 N ATOM 915 CD2 HIS A 60 6.460 -5.400 -11.850 1.00 0.00 C ATOM 916 CE1 HIS A 60 4.920 -6.917 -11.483 1.00 0.00 C ATOM 917 NE2 HIS A 60 6.059 -6.426 -11.029 1.00 0.00 N ATOM 0 H HIS A 60 7.247 -5.543 -15.255 1.00 0.00 H new ATOM 0 HA HIS A 60 4.350 -5.696 -15.238 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.366 -3.757 -14.042 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.633 -3.629 -13.811 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.352 -4.802 -11.739 1.00 0.00 H new ATOM 0 HE1 HIS A 60 4.363 -7.731 -11.043 1.00 0.00 H new ATOM 0 HE2 HIS A 60 6.559 -6.755 -10.203 1.00 0.00 H new ATOM 1001 N TYR A 66 -2.029 5.613 -21.377 1.00 0.00 N ATOM 1002 CA TYR A 66 -2.020 6.982 -20.875 1.00 0.00 C ATOM 1003 C TYR A 66 -0.638 7.610 -21.031 1.00 0.00 C ATOM 1004 O TYR A 66 0.364 6.907 -21.157 1.00 0.00 O ATOM 1005 CB TYR A 66 -2.443 7.011 -19.406 1.00 0.00 C ATOM 1006 CG TYR A 66 -3.644 6.143 -19.104 1.00 0.00 C ATOM 1007 CD1 TYR A 66 -4.799 6.229 -19.871 1.00 0.00 C ATOM 1008 CD2 TYR A 66 -3.622 5.236 -18.052 1.00 0.00 C ATOM 1009 CE1 TYR A 66 -5.898 5.439 -19.598 1.00 0.00 C ATOM 1010 CE2 TYR A 66 -4.717 4.440 -17.772 1.00 0.00 C ATOM 1011 CZ TYR A 66 -5.852 4.546 -18.548 1.00 0.00 C ATOM 1012 OH TYR A 66 -6.945 3.756 -18.274 1.00 0.00 O ATOM 0 HA TYR A 66 -2.731 7.563 -21.462 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.606 6.685 -18.789 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.668 8.039 -19.122 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.838 6.926 -20.695 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.734 5.151 -17.443 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.789 5.520 -20.203 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.684 3.740 -16.951 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.680 3.027 -17.676 1.00 0.00 H new ATOM 1022 N GLU A 67 -0.595 8.938 -21.021 1.00 0.00 N ATOM 1023 CA GLU A 67 0.664 9.662 -21.161 1.00 0.00 C ATOM 1024 C GLU A 67 0.526 11.095 -20.656 1.00 0.00 C ATOM 1025 O GLU A 67 -0.399 11.813 -21.035 1.00 0.00 O ATOM 1026 CB GLU A 67 1.115 9.666 -22.623 1.00 0.00 C ATOM 1027 CG GLU A 67 2.132 10.748 -22.943 1.00 0.00 C ATOM 1028 CD GLU A 67 2.419 10.859 -24.428 1.00 0.00 C ATOM 1029 OE1 GLU A 67 1.496 10.604 -25.230 1.00 0.00 O ATOM 1030 OE2 GLU A 67 3.565 11.200 -24.788 1.00 0.00 O ATOM 0 H GLU A 67 -1.416 9.534 -20.918 1.00 0.00 H new ATOM 0 HA GLU A 67 1.416 9.153 -20.558 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.544 8.693 -22.865 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.243 9.798 -23.263 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.765 11.706 -22.575 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.060 10.537 -22.412 1.00 0.00 H new ATOM 1037 N CYS A 68 1.454 11.505 -19.797 1.00 0.00 N ATOM 1038 CA CYS A 68 1.438 12.851 -19.238 1.00 0.00 C ATOM 1039 C CYS A 68 1.382 13.900 -20.345 1.00 0.00 C ATOM 1040 O CYS A 68 1.354 13.566 -21.529 1.00 0.00 O ATOM 1041 CB CYS A 68 2.674 13.079 -18.367 1.00 0.00 C ATOM 1042 SG CYS A 68 2.419 14.266 -17.009 1.00 0.00 S ATOM 0 H CYS A 68 2.227 10.923 -19.473 1.00 0.00 H new ATOM 0 HA CYS A 68 0.544 12.950 -18.622 1.00 0.00 H new ATOM 0 HB2 CYS A 68 2.990 12.124 -17.946 1.00 0.00 H new ATOM 0 HB3 CYS A 68 3.489 13.434 -18.998 1.00 0.00 H new ATOM 0 HG CYS A 68 3.571 14.645 -16.541 1.00 0.00 H new ATOM 1047 N ASN A 69 1.366 15.169 -19.951 1.00 0.00 N ATOM 1048 CA ASN A 69 1.313 16.266 -20.910 1.00 0.00 C ATOM 1049 C ASN A 69 2.547 17.155 -20.788 1.00 0.00 C ATOM 1050 O ASN A 69 3.100 17.608 -21.791 1.00 0.00 O ATOM 1051 CB ASN A 69 0.048 17.099 -20.694 1.00 0.00 C ATOM 1052 CG ASN A 69 -1.127 16.258 -20.233 1.00 0.00 C ATOM 1053 OD1 ASN A 69 -1.228 15.077 -20.566 1.00 0.00 O ATOM 1054 ND2 ASN A 69 -2.022 16.864 -19.461 1.00 0.00 N ATOM 0 H ASN A 69 1.389 15.463 -18.975 1.00 0.00 H new ATOM 0 HA ASN A 69 1.292 15.839 -21.912 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.249 17.874 -19.954 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.213 17.605 -21.623 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.833 16.349 -19.119 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.898 17.845 -19.210 1.00 0.00 H new ATOM 1061 N ILE A 70 2.974 17.399 -19.554 1.00 0.00 N ATOM 1062 CA ILE A 70 4.144 18.231 -19.301 1.00 0.00 C ATOM 1063 C ILE A 70 5.429 17.503 -19.680 1.00 0.00 C ATOM 1064 O ILE A 70 6.186 17.962 -20.536 1.00 0.00 O ATOM 1065 CB ILE A 70 4.224 18.656 -17.823 1.00 0.00 C ATOM 1066 CG1 ILE A 70 3.020 19.524 -17.453 1.00 0.00 C ATOM 1067 CG2 ILE A 70 5.524 19.401 -17.556 1.00 0.00 C ATOM 1068 CD1 ILE A 70 1.827 18.728 -16.971 1.00 0.00 C ATOM 0 H ILE A 70 2.527 17.032 -18.713 1.00 0.00 H new ATOM 0 HA ILE A 70 4.038 19.121 -19.921 1.00 0.00 H new ATOM 0 HB ILE A 70 4.207 17.761 -17.201 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.315 20.228 -16.675 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.726 20.113 -18.322 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.566 19.695 -16.507 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.369 18.752 -17.785 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.569 20.291 -18.184 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.011 19.408 -16.727 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.506 18.043 -17.755 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.104 18.159 -16.083 1.00 0.00 H new ATOM 1080 N CYS A 71 5.669 16.365 -19.038 1.00 0.00 N ATOM 1081 CA CYS A 71 6.861 15.571 -19.308 1.00 0.00 C ATOM 1082 C CYS A 71 6.581 14.512 -20.371 1.00 0.00 C ATOM 1083 O CYS A 71 7.493 13.832 -20.839 1.00 0.00 O ATOM 1084 CB CYS A 71 7.355 14.902 -18.024 1.00 0.00 C ATOM 1085 SG CYS A 71 6.102 13.876 -17.190 1.00 0.00 S ATOM 0 H CYS A 71 5.053 15.972 -18.326 1.00 0.00 H new ATOM 0 HA CYS A 71 7.635 16.240 -19.683 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.219 14.281 -18.260 1.00 0.00 H new ATOM 0 HB3 CYS A 71 7.696 15.673 -17.333 1.00 0.00 H new ATOM 0 HG CYS A 71 5.533 14.567 -16.247 1.00 0.00 H new ATOM 1090 N ALA A 72 5.313 14.379 -20.746 1.00 0.00 N ATOM 1091 CA ALA A 72 4.913 13.406 -21.754 1.00 0.00 C ATOM 1092 C ALA A 72 5.233 11.985 -21.303 1.00 0.00 C ATOM 1093 O ALA A 72 5.427 11.090 -22.126 1.00 0.00 O ATOM 1094 CB ALA A 72 5.596 13.708 -23.080 1.00 0.00 C ATOM 0 H ALA A 72 4.545 14.933 -20.367 1.00 0.00 H new ATOM 0 HA ALA A 72 3.834 13.482 -21.888 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.288 12.973 -23.824 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.313 14.705 -23.416 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.677 13.662 -22.951 1.00 0.00 H new ATOM 1100 N LYS A 73 5.287 11.784 -19.991 1.00 0.00 N ATOM 1101 CA LYS A 73 5.583 10.472 -19.429 1.00 0.00 C ATOM 1102 C LYS A 73 4.577 9.432 -19.914 1.00 0.00 C ATOM 1103 O LYS A 73 3.507 9.778 -20.415 1.00 0.00 O ATOM 1104 CB LYS A 73 5.570 10.534 -17.900 1.00 0.00 C ATOM 1105 CG LYS A 73 6.927 10.843 -17.292 1.00 0.00 C ATOM 1106 CD LYS A 73 7.710 9.574 -17.001 1.00 0.00 C ATOM 1107 CE LYS A 73 9.207 9.840 -16.958 1.00 0.00 C ATOM 1108 NZ LYS A 73 9.992 8.578 -16.852 1.00 0.00 N ATOM 0 H LYS A 73 5.129 12.514 -19.296 1.00 0.00 H new ATOM 0 HA LYS A 73 6.576 10.176 -19.766 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.857 11.295 -17.582 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.215 9.581 -17.509 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.497 11.475 -17.974 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.793 11.409 -16.370 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.386 9.156 -16.048 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.494 8.828 -17.766 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.506 10.379 -17.857 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.437 10.483 -16.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.007 8.802 -16.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.725 8.075 -15.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.792 7.975 -17.675 1.00 0.00 H new ATOM 1122 N ARG A 74 4.928 8.160 -19.762 1.00 0.00 N ATOM 1123 CA ARG A 74 4.056 7.071 -20.185 1.00 0.00 C ATOM 1124 C ARG A 74 3.799 6.102 -19.034 1.00 0.00 C ATOM 1125 O ARG A 74 4.734 5.552 -18.452 1.00 0.00 O ATOM 1126 CB ARG A 74 4.674 6.323 -21.367 1.00 0.00 C ATOM 1127 CG ARG A 74 4.954 7.210 -22.570 1.00 0.00 C ATOM 1128 CD ARG A 74 5.923 6.548 -23.537 1.00 0.00 C ATOM 1129 NE ARG A 74 5.999 7.260 -24.809 1.00 0.00 N ATOM 1130 CZ ARG A 74 6.739 6.856 -25.835 1.00 0.00 C ATOM 1131 NH1 ARG A 74 7.463 5.749 -25.739 1.00 0.00 N ATOM 1132 NH2 ARG A 74 6.755 7.558 -26.961 1.00 0.00 N ATOM 0 H ARG A 74 5.810 7.858 -19.349 1.00 0.00 H new ATOM 0 HA ARG A 74 3.104 7.501 -20.495 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.605 5.858 -21.045 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.003 5.518 -21.668 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.019 7.432 -23.085 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.367 8.161 -22.234 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.914 6.506 -23.085 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.611 5.519 -23.716 1.00 0.00 H new ATOM 0 HE ARG A 74 5.453 8.115 -24.916 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.452 5.206 -24.876 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.031 5.441 -26.528 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.198 8.409 -27.039 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.324 7.246 -27.748 1.00 0.00 H new ATOM 1146 N PHE A 75 2.526 5.898 -18.712 1.00 0.00 N ATOM 1147 CA PHE A 75 2.146 4.997 -17.630 1.00 0.00 C ATOM 1148 C PHE A 75 1.180 3.926 -18.128 1.00 0.00 C ATOM 1149 O PHE A 75 0.703 3.985 -19.261 1.00 0.00 O ATOM 1150 CB PHE A 75 1.507 5.783 -16.484 1.00 0.00 C ATOM 1151 CG PHE A 75 2.434 6.782 -15.851 1.00 0.00 C ATOM 1152 CD1 PHE A 75 3.241 6.419 -14.785 1.00 0.00 C ATOM 1153 CD2 PHE A 75 2.500 8.082 -16.324 1.00 0.00 C ATOM 1154 CE1 PHE A 75 4.094 7.336 -14.201 1.00 0.00 C ATOM 1155 CE2 PHE A 75 3.352 9.004 -15.745 1.00 0.00 C ATOM 1156 CZ PHE A 75 4.151 8.630 -14.682 1.00 0.00 C ATOM 0 H PHE A 75 1.740 6.344 -19.185 1.00 0.00 H new ATOM 0 HA PHE A 75 3.048 4.506 -17.266 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.626 6.304 -16.858 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.164 5.084 -15.721 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.203 5.408 -14.406 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.878 8.379 -17.156 1.00 0.00 H new ATOM 0 HE1 PHE A 75 4.716 7.041 -13.369 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.393 10.015 -16.123 1.00 0.00 H new ATOM 0 HZ PHE A 75 4.819 9.347 -14.228 1.00 0.00 H new ATOM 1166 N MET A 76 0.897 2.949 -17.273 1.00 0.00 N ATOM 1167 CA MET A 76 -0.013 1.865 -17.626 1.00 0.00 C ATOM 1168 C MET A 76 -1.304 1.955 -16.819 1.00 0.00 C ATOM 1169 O MET A 76 -2.400 1.879 -17.374 1.00 0.00 O ATOM 1170 CB MET A 76 0.657 0.511 -17.388 1.00 0.00 C ATOM 1171 CG MET A 76 -0.267 -0.674 -17.621 1.00 0.00 C ATOM 1172 SD MET A 76 0.627 -2.175 -18.067 1.00 0.00 S ATOM 1173 CE MET A 76 0.802 -2.953 -16.463 1.00 0.00 C ATOM 0 H MET A 76 1.284 2.885 -16.331 1.00 0.00 H new ATOM 0 HA MET A 76 -0.259 1.960 -18.684 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.521 0.422 -18.046 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.030 0.474 -16.365 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.850 -0.858 -16.719 1.00 0.00 H new ATOM 0 HG3 MET A 76 -0.974 -0.428 -18.413 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.290 -3.921 -16.579 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.406 -2.318 -15.815 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.183 -3.094 -16.018 1.00 0.00 H new ATOM 1183 N TRP A 77 -1.167 2.117 -15.508 1.00 0.00 N ATOM 1184 CA TRP A 77 -2.324 2.217 -14.625 1.00 0.00 C ATOM 1185 C TRP A 77 -2.901 3.628 -14.641 1.00 0.00 C ATOM 1186 O TRP A 77 -2.160 4.611 -14.608 1.00 0.00 O ATOM 1187 CB TRP A 77 -1.937 1.826 -13.198 1.00 0.00 C ATOM 1188 CG TRP A 77 -1.105 0.582 -13.127 1.00 0.00 C ATOM 1189 CD1 TRP A 77 0.219 0.463 -13.440 1.00 0.00 C ATOM 1190 CD2 TRP A 77 -1.542 -0.719 -12.719 1.00 0.00 C ATOM 1191 NE1 TRP A 77 0.632 -0.834 -13.251 1.00 0.00 N ATOM 1192 CE2 TRP A 77 -0.430 -1.579 -12.809 1.00 0.00 C ATOM 1193 CE3 TRP A 77 -2.763 -1.241 -12.286 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 -0.505 -2.930 -12.481 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 -2.837 -2.582 -11.961 1.00 0.00 C ATOM 1196 CH2 TRP A 77 -1.714 -3.414 -12.060 1.00 0.00 C ATOM 0 H TRP A 77 -0.267 2.182 -15.033 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.088 1.529 -14.988 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -1.387 2.648 -12.740 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -2.843 1.682 -12.610 1.00 0.00 H new ATOM 0 HD1 TRP A 77 0.849 1.270 -13.785 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.576 -1.185 -13.413 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -3.634 -0.608 -12.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 0.360 -3.573 -12.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -3.776 -2.996 -11.625 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -1.804 -4.458 -11.799 1.00 0.00 H new ATOM 1207 N ARG A 78 -4.225 3.721 -14.692 1.00 0.00 N ATOM 1208 CA ARG A 78 -4.900 5.013 -14.713 1.00 0.00 C ATOM 1209 C ARG A 78 -4.623 5.792 -13.431 1.00 0.00 C ATOM 1210 O ARG A 78 -4.136 6.922 -13.472 1.00 0.00 O ATOM 1211 CB ARG A 78 -6.408 4.822 -14.891 1.00 0.00 C ATOM 1212 CG ARG A 78 -7.104 6.020 -15.514 1.00 0.00 C ATOM 1213 CD ARG A 78 -8.567 5.724 -15.807 1.00 0.00 C ATOM 1214 NE ARG A 78 -9.400 5.848 -14.615 1.00 0.00 N ATOM 1215 CZ ARG A 78 -10.725 5.751 -14.630 1.00 0.00 C ATOM 1216 NH1 ARG A 78 -11.363 5.530 -15.771 1.00 0.00 N ATOM 1217 NH2 ARG A 78 -11.414 5.875 -13.503 1.00 0.00 N ATOM 0 H ARG A 78 -4.852 2.917 -14.720 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.511 5.584 -15.556 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.584 3.946 -15.515 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.857 4.617 -13.919 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.032 6.874 -14.841 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.596 6.298 -16.437 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.929 6.408 -16.575 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.659 4.715 -16.210 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.939 6.019 -13.721 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.837 5.434 -16.639 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.380 5.456 -15.780 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.927 6.045 -12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.431 5.800 -13.516 1.00 0.00 H new ATOM 1231 N ASP A 79 -4.938 5.181 -12.294 1.00 0.00 N ATOM 1232 CA ASP A 79 -4.723 5.817 -10.999 1.00 0.00 C ATOM 1233 C ASP A 79 -3.350 6.481 -10.942 1.00 0.00 C ATOM 1234 O ASP A 79 -3.242 7.684 -10.707 1.00 0.00 O ATOM 1235 CB ASP A 79 -4.854 4.789 -9.875 1.00 0.00 C ATOM 1236 CG ASP A 79 -6.277 4.296 -9.703 1.00 0.00 C ATOM 1237 OD1 ASP A 79 -7.182 5.141 -9.545 1.00 0.00 O ATOM 1238 OD2 ASP A 79 -6.485 3.064 -9.727 1.00 0.00 O ATOM 0 H ASP A 79 -5.343 4.246 -12.243 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.484 6.586 -10.867 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.202 3.941 -10.085 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.511 5.232 -8.940 1.00 0.00 H new ATOM 1243 N SER A 80 -2.306 5.688 -11.156 1.00 0.00 N ATOM 1244 CA SER A 80 -0.940 6.198 -11.124 1.00 0.00 C ATOM 1245 C SER A 80 -0.745 7.297 -12.164 1.00 0.00 C ATOM 1246 O SER A 80 -0.087 8.304 -11.904 1.00 0.00 O ATOM 1247 CB SER A 80 0.057 5.064 -11.371 1.00 0.00 C ATOM 1248 OG SER A 80 0.146 4.209 -10.244 1.00 0.00 O ATOM 0 H SER A 80 -2.379 4.690 -11.353 1.00 0.00 H new ATOM 0 HA SER A 80 -0.760 6.621 -10.136 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.251 4.489 -12.244 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.039 5.481 -11.594 1.00 0.00 H new ATOM 0 HG SER A 80 0.788 3.492 -10.427 1.00 0.00 H new ATOM 1254 N PHE A 81 -1.322 7.094 -13.344 1.00 0.00 N ATOM 1255 CA PHE A 81 -1.212 8.066 -14.426 1.00 0.00 C ATOM 1256 C PHE A 81 -1.744 9.428 -13.989 1.00 0.00 C ATOM 1257 O PHE A 81 -0.994 10.400 -13.895 1.00 0.00 O ATOM 1258 CB PHE A 81 -1.977 7.579 -15.658 1.00 0.00 C ATOM 1259 CG PHE A 81 -2.394 8.687 -16.582 1.00 0.00 C ATOM 1260 CD1 PHE A 81 -1.450 9.530 -17.144 1.00 0.00 C ATOM 1261 CD2 PHE A 81 -3.731 8.885 -16.887 1.00 0.00 C ATOM 1262 CE1 PHE A 81 -1.831 10.551 -17.995 1.00 0.00 C ATOM 1263 CE2 PHE A 81 -4.118 9.904 -17.738 1.00 0.00 C ATOM 1264 CZ PHE A 81 -3.167 10.738 -18.291 1.00 0.00 C ATOM 0 H PHE A 81 -1.870 6.266 -13.575 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.157 8.171 -14.680 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.353 6.874 -16.208 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.864 7.035 -15.333 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.404 9.388 -16.915 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.479 8.236 -16.455 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.085 11.201 -18.428 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.163 10.047 -17.970 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.467 11.536 -18.954 1.00 0.00 H new ATOM 1274 N HIS A 82 -3.046 9.491 -13.724 1.00 0.00 N ATOM 1275 CA HIS A 82 -3.680 10.733 -13.297 1.00 0.00 C ATOM 1276 C HIS A 82 -3.013 11.279 -12.037 1.00 0.00 C ATOM 1277 O HIS A 82 -2.775 12.481 -11.921 1.00 0.00 O ATOM 1278 CB HIS A 82 -5.170 10.509 -13.043 1.00 0.00 C ATOM 1279 CG HIS A 82 -6.022 10.706 -14.259 1.00 0.00 C ATOM 1280 ND1 HIS A 82 -7.198 10.019 -14.474 1.00 0.00 N ATOM 1281 CD2 HIS A 82 -5.863 11.520 -15.329 1.00 0.00 C ATOM 1282 CE1 HIS A 82 -7.725 10.401 -15.623 1.00 0.00 C ATOM 1283 NE2 HIS A 82 -6.934 11.311 -16.162 1.00 0.00 N ATOM 0 H HIS A 82 -3.682 8.697 -13.798 1.00 0.00 H new ATOM 0 HA HIS A 82 -3.562 11.465 -14.096 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.318 9.497 -12.666 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -5.503 11.192 -12.262 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.046 12.206 -15.496 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.646 10.032 -16.049 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.093 11.782 -17.053 1.00 0.00 H new ATOM 1291 N ARG A 83 -2.716 10.387 -11.098 1.00 0.00 N ATOM 1292 CA ARG A 83 -2.080 10.780 -9.846 1.00 0.00 C ATOM 1293 C ARG A 83 -0.820 11.599 -10.111 1.00 0.00 C ATOM 1294 O ARG A 83 -0.664 12.704 -9.590 1.00 0.00 O ATOM 1295 CB ARG A 83 -1.731 9.543 -9.016 1.00 0.00 C ATOM 1296 CG ARG A 83 -0.875 9.847 -7.798 1.00 0.00 C ATOM 1297 CD ARG A 83 -0.452 8.575 -7.082 1.00 0.00 C ATOM 1298 NE ARG A 83 -1.534 8.014 -6.277 1.00 0.00 N ATOM 1299 CZ ARG A 83 -1.590 6.740 -5.906 1.00 0.00 C ATOM 1300 NH1 ARG A 83 -0.630 5.899 -6.264 1.00 0.00 N ATOM 1301 NH2 ARG A 83 -2.607 6.305 -5.173 1.00 0.00 N ATOM 0 H ARG A 83 -2.905 9.388 -11.180 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.784 11.397 -9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.654 9.063 -8.690 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.206 8.828 -9.649 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.010 10.405 -8.104 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.432 10.484 -7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.126 7.838 -7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.404 8.787 -6.441 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.288 8.635 -5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.154 6.230 -6.826 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.676 4.921 -5.978 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.347 6.949 -4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.649 5.326 -4.889 1.00 0.00 H new ATOM 1315 N HIS A 84 0.078 11.049 -10.923 1.00 0.00 N ATOM 1316 CA HIS A 84 1.324 11.729 -11.257 1.00 0.00 C ATOM 1317 C HIS A 84 1.053 12.997 -12.061 1.00 0.00 C ATOM 1318 O HIS A 84 1.496 14.085 -11.692 1.00 0.00 O ATOM 1319 CB HIS A 84 2.242 10.796 -12.047 1.00 0.00 C ATOM 1320 CG HIS A 84 3.213 11.518 -12.930 1.00 0.00 C ATOM 1321 ND1 HIS A 84 4.572 11.537 -12.699 1.00 0.00 N ATOM 1322 CD2 HIS A 84 3.014 12.249 -14.052 1.00 0.00 C ATOM 1323 CE1 HIS A 84 5.167 12.249 -13.638 1.00 0.00 C ATOM 1324 NE2 HIS A 84 4.244 12.692 -14.473 1.00 0.00 N ATOM 0 H HIS A 84 -0.034 10.135 -11.361 1.00 0.00 H new ATOM 0 HA HIS A 84 1.817 12.009 -10.326 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.796 10.168 -11.349 1.00 0.00 H new ATOM 0 HB3 HIS A 84 1.632 10.132 -12.659 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.065 12.447 -14.528 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.228 12.437 -13.711 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.417 13.269 -15.296 1.00 0.00 H new ATOM 1332 N VAL A 85 0.324 12.849 -13.162 1.00 0.00 N ATOM 1333 CA VAL A 85 -0.007 13.982 -14.018 1.00 0.00 C ATOM 1334 C VAL A 85 -0.519 15.160 -13.198 1.00 0.00 C ATOM 1335 O VAL A 85 -0.123 16.305 -13.419 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.068 13.602 -15.068 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -1.371 14.785 -15.974 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.606 12.402 -15.881 1.00 0.00 C ATOM 0 H VAL A 85 -0.049 11.955 -13.482 1.00 0.00 H new ATOM 0 HA VAL A 85 0.912 14.271 -14.529 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.987 13.329 -14.549 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.123 14.497 -16.709 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.748 15.615 -15.376 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.460 15.093 -16.488 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.367 12.147 -16.618 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.326 12.645 -16.391 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.445 11.553 -15.217 1.00 0.00 H new ATOM 1348 N THR A 86 -1.403 14.872 -12.247 1.00 0.00 N ATOM 1349 CA THR A 86 -1.970 15.907 -11.392 1.00 0.00 C ATOM 1350 C THR A 86 -0.877 16.774 -10.778 1.00 0.00 C ATOM 1351 O THR A 86 -0.844 17.987 -10.985 1.00 0.00 O ATOM 1352 CB THR A 86 -2.822 15.299 -10.263 1.00 0.00 C ATOM 1353 OG1 THR A 86 -3.937 14.590 -10.817 1.00 0.00 O ATOM 1354 CG2 THR A 86 -3.322 16.381 -9.318 1.00 0.00 C ATOM 0 H THR A 86 -1.741 13.930 -12.050 1.00 0.00 H new ATOM 0 HA THR A 86 -2.607 16.525 -12.025 1.00 0.00 H new ATOM 0 HB THR A 86 -2.196 14.608 -9.699 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.616 13.942 -11.478 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.921 15.927 -8.529 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.471 16.899 -8.875 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.932 17.094 -9.872 1.00 0.00 H new ATOM 1362 N SER A 87 0.017 16.144 -10.023 1.00 0.00 N ATOM 1363 CA SER A 87 1.111 16.859 -9.376 1.00 0.00 C ATOM 1364 C SER A 87 2.067 17.441 -10.412 1.00 0.00 C ATOM 1365 O SER A 87 2.624 18.523 -10.222 1.00 0.00 O ATOM 1366 CB SER A 87 1.870 15.926 -8.431 1.00 0.00 C ATOM 1367 OG SER A 87 3.040 16.549 -7.930 1.00 0.00 O ATOM 0 H SER A 87 0.005 15.140 -9.844 1.00 0.00 H new ATOM 0 HA SER A 87 0.685 17.680 -8.799 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.224 15.639 -7.602 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.139 15.010 -8.957 1.00 0.00 H new ATOM 0 HG SER A 87 3.506 15.933 -7.327 1.00 0.00 H new ATOM 1373 N CYS A 88 2.254 16.715 -11.509 1.00 0.00 N ATOM 1374 CA CYS A 88 3.144 17.156 -12.576 1.00 0.00 C ATOM 1375 C CYS A 88 2.765 18.554 -13.057 1.00 0.00 C ATOM 1376 O CYS A 88 3.580 19.261 -13.652 1.00 0.00 O ATOM 1377 CB CYS A 88 3.097 16.172 -13.747 1.00 0.00 C ATOM 1378 SG CYS A 88 4.603 16.164 -14.772 1.00 0.00 S ATOM 0 H CYS A 88 1.801 15.818 -11.682 1.00 0.00 H new ATOM 0 HA CYS A 88 4.158 17.190 -12.179 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.930 15.168 -13.357 1.00 0.00 H new ATOM 0 HB3 CYS A 88 2.242 16.415 -14.378 1.00 0.00 H new ATOM 0 HG CYS A 88 5.043 17.380 -14.906 1.00 0.00 H new ATOM 1383 N THR A 89 1.522 18.948 -12.795 1.00 0.00 N ATOM 1384 CA THR A 89 1.035 20.260 -13.200 1.00 0.00 C ATOM 1385 C THR A 89 1.306 21.304 -12.124 1.00 0.00 C ATOM 1386 O THR A 89 1.833 22.381 -12.407 1.00 0.00 O ATOM 1387 CB THR A 89 -0.476 20.229 -13.500 1.00 0.00 C ATOM 1388 OG1 THR A 89 -0.797 19.074 -14.283 1.00 0.00 O ATOM 1389 CG2 THR A 89 -0.906 21.486 -14.243 1.00 0.00 C ATOM 0 H THR A 89 0.835 18.376 -12.304 1.00 0.00 H new ATOM 0 HA THR A 89 1.574 20.531 -14.108 1.00 0.00 H new ATOM 0 HB THR A 89 -1.011 20.185 -12.551 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.634 18.265 -13.754 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.976 21.442 -14.444 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.687 22.362 -13.633 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.363 21.556 -15.185 1.00 0.00 H new ATOM 1397 N LYS A 90 0.945 20.980 -10.887 1.00 0.00 N ATOM 1398 CA LYS A 90 1.151 21.890 -9.766 1.00 0.00 C ATOM 1399 C LYS A 90 2.447 22.677 -9.936 1.00 0.00 C ATOM 1400 O LYS A 90 2.536 23.836 -9.533 1.00 0.00 O ATOM 1401 CB LYS A 90 1.184 21.110 -8.450 1.00 0.00 C ATOM 1402 CG LYS A 90 -0.187 20.903 -7.831 1.00 0.00 C ATOM 1403 CD LYS A 90 -1.045 19.973 -8.674 1.00 0.00 C ATOM 1404 CE LYS A 90 -1.891 20.748 -9.672 1.00 0.00 C ATOM 1405 NZ LYS A 90 -3.008 21.474 -9.007 1.00 0.00 N ATOM 0 H LYS A 90 0.508 20.093 -10.635 1.00 0.00 H new ATOM 0 HA LYS A 90 0.319 22.594 -9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.645 20.138 -8.625 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.818 21.640 -7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.076 20.489 -6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.688 21.865 -7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.406 19.269 -9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.694 19.386 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.262 21.460 -10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.296 20.061 -10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.709 21.760 -9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.460 20.850 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.636 22.319 -8.528 1.00 0.00 H new ATOM 1419 N SER A 91 3.447 22.040 -10.535 1.00 0.00 N ATOM 1420 CA SER A 91 4.738 22.680 -10.756 1.00 0.00 C ATOM 1421 C SER A 91 4.733 23.480 -12.055 1.00 0.00 C ATOM 1422 O SER A 91 5.057 24.668 -12.067 1.00 0.00 O ATOM 1423 CB SER A 91 5.852 21.632 -10.794 1.00 0.00 C ATOM 1424 OG SER A 91 6.327 21.345 -9.490 1.00 0.00 O ATOM 0 H SER A 91 3.388 21.081 -10.876 1.00 0.00 H new ATOM 0 HA SER A 91 4.922 23.365 -9.928 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.480 20.718 -11.258 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.674 21.993 -11.413 1.00 0.00 H new ATOM 0 HG SER A 91 7.037 20.671 -9.541 1.00 0.00 H new ATOM 1430 N TYR A 92 4.363 22.820 -13.147 1.00 0.00 N ATOM 1431 CA TYR A 92 4.318 23.468 -14.453 1.00 0.00 C ATOM 1432 C TYR A 92 3.569 24.795 -14.377 1.00 0.00 C ATOM 1433 O TYR A 92 4.017 25.804 -14.920 1.00 0.00 O ATOM 1434 CB TYR A 92 3.649 22.550 -15.478 1.00 0.00 C ATOM 1435 CG TYR A 92 3.307 23.241 -16.778 1.00 0.00 C ATOM 1436 CD1 TYR A 92 2.259 24.151 -16.849 1.00 0.00 C ATOM 1437 CD2 TYR A 92 4.031 22.985 -17.936 1.00 0.00 C ATOM 1438 CE1 TYR A 92 1.942 24.785 -18.035 1.00 0.00 C ATOM 1439 CE2 TYR A 92 3.723 23.615 -19.125 1.00 0.00 C ATOM 1440 CZ TYR A 92 2.677 24.514 -19.170 1.00 0.00 C ATOM 1441 OH TYR A 92 2.366 25.143 -20.354 1.00 0.00 O ATOM 0 H TYR A 92 4.090 21.837 -13.154 1.00 0.00 H new ATOM 0 HA TYR A 92 5.343 23.667 -14.767 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.311 21.709 -15.686 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.738 22.139 -15.044 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.682 24.366 -15.962 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.849 22.281 -17.905 1.00 0.00 H new ATOM 0 HE1 TYR A 92 1.124 25.489 -18.073 1.00 0.00 H new ATOM 0 HE2 TYR A 92 4.298 23.405 -20.015 1.00 0.00 H new ATOM 0 HH TYR A 92 2.980 24.842 -21.056 1.00 0.00 H new ATOM 1451 N GLU A 93 2.425 24.783 -13.699 1.00 0.00 N ATOM 1452 CA GLU A 93 1.613 25.986 -13.552 1.00 0.00 C ATOM 1453 C GLU A 93 2.491 27.206 -13.289 1.00 0.00 C ATOM 1454 O GLU A 93 2.274 28.274 -13.859 1.00 0.00 O ATOM 1455 CB GLU A 93 0.607 25.812 -12.412 1.00 0.00 C ATOM 1456 CG GLU A 93 -0.678 25.121 -12.836 1.00 0.00 C ATOM 1457 CD GLU A 93 -1.728 25.120 -11.741 1.00 0.00 C ATOM 1458 OE1 GLU A 93 -1.555 24.376 -10.753 1.00 0.00 O ATOM 1459 OE2 GLU A 93 -2.722 25.864 -11.873 1.00 0.00 O ATOM 0 H GLU A 93 2.040 23.955 -13.244 1.00 0.00 H new ATOM 0 HA GLU A 93 1.071 26.145 -14.484 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.073 25.236 -11.612 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.364 26.791 -12.000 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.079 25.618 -13.719 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.456 24.093 -13.123 1.00 0.00 H new