USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=27 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 151:sc= 0.448 USER MOD Set 1.2: A 71 CYS SG : rot -34:sc= 0.243 USER MOD Set 1.3: A 84 HIS : no HE2:sc= -2.55! K(o=-2.2!,f=-3.4) USER MOD Set 1.4: A 88 CYS SG : rot 166:sc= -0.372 USER MOD Set 2.1: A 40 CYS SG : rot 10:sc= -2.13 USER MOD Set 2.2: A 43 CYS SG : rot -61:sc= -1.19 USER MOD Set 2.3: A 56 HIS : no HD1:sc= -4.37 X(o=-16,f=-17!) USER MOD Set 2.4: A 57 MET CE :methyl 179:sc= -5.18! (180deg=-3.04!) USER MOD Set 2.5: A 60 HIS : no HD1:sc= -3.32! C(o=-16!,f=-16!) USER MOD Set 3.1: A 11 TYR OH : rot 0:sc= 0.97 USER MOD Set 3.2: A 22 LYS NZ :NH3+ -124:sc= 1.28 (180deg=0) USER MOD Set 4.1: A 13 CYS SG : rot -170:sc= -0.395 USER MOD Set 4.2: A 15 CYS SG : rot -63:sc= -0.123 USER MOD Set 4.3: A 28 HIS : no HD1:sc= -1.26 K(o=-5.6,f=-4.8) USER MOD Set 4.4: A 32 HIS : no HD1:sc= -3.83! K(o=-5.6!,f=-4.8) USER MOD Single : A 14 GLN : amide:sc= -0.0269 X(o=-0.027,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=-0.00051) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.3 K(o=-1.3,f=-2!) USER MOD Single : A 29 MET CE :methyl -107:sc= -0.188 (180deg=-1.78) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 165:sc= -0.315 (180deg=-1.01) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= 0.87 (180deg=0.718) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.842 K(o=-0.84,f=-3.5!) USER MOD Single : A 52 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-2.8!) USER MOD Single : A 58 LYS NZ :NH3+ -152:sc= -0.219 (180deg=-0.837) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.701 USER MOD Single : A 69 ASN : amide:sc= -4.9! K(o=-4.9!,f=-2.7) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -152:sc= 0 (180deg=-0.695) USER MOD Single : A 80 SER OG : rot -108:sc= -1.43 USER MOD Single : A 82 HIS : no HD1:sc= -0.685 X(o=-0.68,f=-0.19) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 72:sc= 1.18 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 1.342 6.864 16.646 1.00 0.00 N ATOM 120 CA TYR A 11 2.773 6.754 16.900 1.00 0.00 C ATOM 121 C TYR A 11 3.568 6.892 15.605 1.00 0.00 C ATOM 122 O TYR A 11 3.456 6.078 14.688 1.00 0.00 O ATOM 123 CB TYR A 11 3.093 5.416 17.568 1.00 0.00 C ATOM 124 CG TYR A 11 2.483 5.265 18.944 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.111 5.376 19.133 1.00 0.00 C ATOM 126 CD2 TYR A 11 3.279 5.010 20.054 1.00 0.00 C ATOM 127 CE1 TYR A 11 0.550 5.240 20.388 1.00 0.00 C ATOM 128 CE2 TYR A 11 2.726 4.870 21.312 1.00 0.00 C ATOM 129 CZ TYR A 11 1.361 4.987 21.474 1.00 0.00 C ATOM 130 OH TYR A 11 0.805 4.849 22.725 1.00 0.00 O ATOM 0 HA TYR A 11 3.060 7.564 17.570 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.736 4.607 16.931 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.175 5.308 17.645 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.472 5.572 18.284 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.348 4.920 19.931 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.518 5.331 20.518 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.359 4.670 22.164 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.167 4.958 22.665 1.00 0.00 H new ATOM 140 N PRO A 12 4.393 7.947 15.528 1.00 0.00 N ATOM 141 CA PRO A 12 5.225 8.217 14.351 1.00 0.00 C ATOM 142 C PRO A 12 6.351 7.201 14.192 1.00 0.00 C ATOM 143 O PRO A 12 6.982 6.800 15.170 1.00 0.00 O ATOM 144 CB PRO A 12 5.797 9.608 14.633 1.00 0.00 C ATOM 145 CG PRO A 12 5.779 9.732 16.117 1.00 0.00 C ATOM 146 CD PRO A 12 4.577 8.957 16.583 1.00 0.00 C ATOM 0 HA PRO A 12 4.653 8.155 13.425 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.809 9.707 14.240 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.195 10.386 14.164 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.694 9.332 16.553 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.711 10.777 16.421 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.749 8.496 17.556 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.700 9.597 16.684 1.00 0.00 H new ATOM 154 N CYS A 13 6.599 6.788 12.954 1.00 0.00 N ATOM 155 CA CYS A 13 7.649 5.819 12.665 1.00 0.00 C ATOM 156 C CYS A 13 8.843 6.493 11.996 1.00 0.00 C ATOM 157 O CYS A 13 8.737 7.615 11.501 1.00 0.00 O ATOM 158 CB CYS A 13 7.110 4.703 11.768 1.00 0.00 C ATOM 159 SG CYS A 13 8.232 3.278 11.598 1.00 0.00 S ATOM 0 H CYS A 13 6.086 7.110 12.133 1.00 0.00 H new ATOM 0 HA CYS A 13 7.980 5.388 13.610 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.158 4.356 12.170 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.908 5.113 10.778 1.00 0.00 H new ATOM 0 HG CYS A 13 7.792 2.489 10.663 1.00 0.00 H new ATOM 164 N GLN A 14 9.977 5.801 11.986 1.00 0.00 N ATOM 165 CA GLN A 14 11.191 6.333 11.378 1.00 0.00 C ATOM 166 C GLN A 14 10.952 6.703 9.918 1.00 0.00 C ATOM 167 O GLN A 14 11.409 7.745 9.448 1.00 0.00 O ATOM 168 CB GLN A 14 12.327 5.313 11.479 1.00 0.00 C ATOM 169 CG GLN A 14 13.706 5.914 11.258 1.00 0.00 C ATOM 170 CD GLN A 14 14.813 4.882 11.349 1.00 0.00 C ATOM 171 OE1 GLN A 14 15.736 5.015 12.153 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.726 3.846 10.523 1.00 0.00 N ATOM 0 H GLN A 14 10.081 4.871 12.392 1.00 0.00 H new ATOM 0 HA GLN A 14 11.473 7.235 11.921 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.297 4.845 12.463 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.162 4.524 10.745 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.738 6.390 10.278 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.881 6.695 11.998 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.943 3.776 9.873 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.442 3.120 10.539 1.00 0.00 H new ATOM 181 N CYS A 15 10.233 5.843 9.205 1.00 0.00 N ATOM 182 CA CYS A 15 9.933 6.078 7.798 1.00 0.00 C ATOM 183 C CYS A 15 9.042 7.306 7.630 1.00 0.00 C ATOM 184 O CYS A 15 9.130 8.016 6.629 1.00 0.00 O ATOM 185 CB CYS A 15 9.250 4.852 7.189 1.00 0.00 C ATOM 186 SG CYS A 15 7.719 4.353 8.041 1.00 0.00 S ATOM 0 H CYS A 15 9.847 4.976 9.579 1.00 0.00 H new ATOM 0 HA CYS A 15 10.873 6.258 7.277 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.020 5.059 6.144 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.949 4.016 7.202 1.00 0.00 H new ATOM 0 HG CYS A 15 7.997 3.998 9.260 1.00 0.00 H new ATOM 191 N GLY A 16 8.186 7.549 8.617 1.00 0.00 N ATOM 192 CA GLY A 16 7.292 8.691 8.559 1.00 0.00 C ATOM 193 C GLY A 16 5.853 8.316 8.852 1.00 0.00 C ATOM 194 O GLY A 16 5.074 9.140 9.332 1.00 0.00 O ATOM 0 H GLY A 16 8.095 6.976 9.456 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.621 9.443 9.276 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.352 9.145 7.570 1.00 0.00 H new ATOM 198 N LYS A 17 5.497 7.069 8.561 1.00 0.00 N ATOM 199 CA LYS A 17 4.141 6.586 8.795 1.00 0.00 C ATOM 200 C LYS A 17 3.766 6.711 10.268 1.00 0.00 C ATOM 201 O LYS A 17 4.593 7.082 11.100 1.00 0.00 O ATOM 202 CB LYS A 17 4.014 5.128 8.347 1.00 0.00 C ATOM 203 CG LYS A 17 4.155 4.938 6.846 1.00 0.00 C ATOM 204 CD LYS A 17 4.590 3.524 6.502 1.00 0.00 C ATOM 205 CE LYS A 17 5.101 3.431 5.072 1.00 0.00 C ATOM 206 NZ LYS A 17 3.994 3.521 4.080 1.00 0.00 N ATOM 0 H LYS A 17 6.129 6.374 8.163 1.00 0.00 H new ATOM 0 HA LYS A 17 3.456 7.201 8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.775 4.534 8.853 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.045 4.742 8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.204 5.156 6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.883 5.649 6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.372 3.205 7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.751 2.841 6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.818 4.232 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.634 2.490 4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.384 3.454 3.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.323 2.742 4.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.501 4.430 4.191 1.00 0.00 H new ATOM 220 N SER A 18 2.513 6.397 10.583 1.00 0.00 N ATOM 221 CA SER A 18 2.028 6.476 11.956 1.00 0.00 C ATOM 222 C SER A 18 1.158 5.269 12.295 1.00 0.00 C ATOM 223 O SER A 18 0.272 4.892 11.528 1.00 0.00 O ATOM 224 CB SER A 18 1.233 7.766 12.164 1.00 0.00 C ATOM 225 OG SER A 18 0.116 7.824 11.293 1.00 0.00 O ATOM 0 H SER A 18 1.816 6.086 9.906 1.00 0.00 H new ATOM 0 HA SER A 18 2.892 6.478 12.621 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.895 7.825 13.198 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.879 8.627 11.990 1.00 0.00 H new ATOM 0 HG SER A 18 -0.376 8.657 11.447 1.00 0.00 H new ATOM 231 N PHE A 19 1.418 4.667 13.451 1.00 0.00 N ATOM 232 CA PHE A 19 0.661 3.502 13.893 1.00 0.00 C ATOM 233 C PHE A 19 -0.117 3.811 15.169 1.00 0.00 C ATOM 234 O PHE A 19 0.353 4.552 16.032 1.00 0.00 O ATOM 235 CB PHE A 19 1.599 2.316 14.128 1.00 0.00 C ATOM 236 CG PHE A 19 2.403 1.938 12.917 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.476 2.714 12.511 1.00 0.00 C ATOM 238 CD2 PHE A 19 2.085 0.805 12.185 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.217 2.368 11.397 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.822 0.454 11.069 1.00 0.00 C ATOM 241 CZ PHE A 19 3.890 1.236 10.675 1.00 0.00 C ATOM 0 H PHE A 19 2.147 4.967 14.098 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.050 3.243 13.109 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.279 2.557 14.945 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.011 1.455 14.447 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.737 3.600 13.071 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.252 0.189 12.490 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.051 2.982 11.091 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.563 -0.431 10.506 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.468 0.963 9.805 1.00 0.00 H new ATOM 251 N THR A 20 -1.311 3.236 15.281 1.00 0.00 N ATOM 252 CA THR A 20 -2.155 3.451 16.449 1.00 0.00 C ATOM 253 C THR A 20 -1.476 2.948 17.718 1.00 0.00 C ATOM 254 O THR A 20 -1.717 3.466 18.809 1.00 0.00 O ATOM 255 CB THR A 20 -3.516 2.746 16.295 1.00 0.00 C ATOM 256 OG1 THR A 20 -4.158 3.177 15.090 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.415 3.040 17.487 1.00 0.00 C ATOM 0 H THR A 20 -1.714 2.618 14.577 1.00 0.00 H new ATOM 0 HA THR A 20 -2.317 4.526 16.529 1.00 0.00 H new ATOM 0 HB THR A 20 -3.340 1.671 16.248 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.022 2.723 14.999 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.370 2.532 17.356 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.937 2.685 18.400 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.583 4.115 17.560 1.00 0.00 H new ATOM 265 N HIS A 21 -0.626 1.937 17.568 1.00 0.00 N ATOM 266 CA HIS A 21 0.089 1.365 18.704 1.00 0.00 C ATOM 267 C HIS A 21 1.593 1.575 18.559 1.00 0.00 C ATOM 268 O HIS A 21 2.087 1.880 17.474 1.00 0.00 O ATOM 269 CB HIS A 21 -0.219 -0.127 18.828 1.00 0.00 C ATOM 270 CG HIS A 21 -1.538 -0.414 19.479 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.653 -0.887 20.769 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.802 -0.290 19.011 1.00 0.00 C ATOM 273 CE1 HIS A 21 -2.931 -1.044 21.066 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.649 -0.688 20.015 1.00 0.00 N ATOM 0 H HIS A 21 -0.416 1.497 16.672 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.247 1.874 19.608 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.208 -0.576 17.835 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.573 -0.607 19.403 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.090 0.058 18.030 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.322 -1.402 22.007 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.667 -0.706 19.959 1.00 0.00 H new ATOM 282 N LYS A 22 2.317 1.412 19.662 1.00 0.00 N ATOM 283 CA LYS A 22 3.765 1.583 19.659 1.00 0.00 C ATOM 284 C LYS A 22 4.460 0.330 19.137 1.00 0.00 C ATOM 285 O LYS A 22 5.454 0.415 18.416 1.00 0.00 O ATOM 286 CB LYS A 22 4.263 1.904 21.070 1.00 0.00 C ATOM 287 CG LYS A 22 3.405 1.304 22.170 1.00 0.00 C ATOM 288 CD LYS A 22 2.275 2.238 22.569 1.00 0.00 C ATOM 289 CE LYS A 22 1.199 1.508 23.357 1.00 0.00 C ATOM 290 NZ LYS A 22 0.126 2.431 23.819 1.00 0.00 N ATOM 0 H LYS A 22 1.924 1.162 20.569 1.00 0.00 H new ATOM 0 HA LYS A 22 4.006 2.414 18.996 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.284 1.539 21.177 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.297 2.986 21.197 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.991 0.354 21.832 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.025 1.090 23.040 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.673 3.057 23.168 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.835 2.681 21.675 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.762 0.726 22.736 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.651 1.016 24.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.029 2.361 24.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.373 3.408 23.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.774 2.170 23.368 1.00 0.00 H new ATOM 304 N SER A 23 3.930 -0.833 19.504 1.00 0.00 N ATOM 305 CA SER A 23 4.501 -2.104 19.073 1.00 0.00 C ATOM 306 C SER A 23 4.477 -2.223 17.553 1.00 0.00 C ATOM 307 O SER A 23 5.441 -2.681 16.941 1.00 0.00 O ATOM 308 CB SER A 23 3.734 -3.270 19.700 1.00 0.00 C ATOM 309 OG SER A 23 4.168 -4.510 19.169 1.00 0.00 O ATOM 0 H SER A 23 3.106 -0.921 20.099 1.00 0.00 H new ATOM 0 HA SER A 23 5.538 -2.140 19.406 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.876 -3.264 20.781 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.666 -3.147 19.518 1.00 0.00 H new ATOM 0 HG SER A 23 3.664 -5.239 19.587 1.00 0.00 H new ATOM 315 N GLN A 24 3.367 -1.807 16.950 1.00 0.00 N ATOM 316 CA GLN A 24 3.217 -1.867 15.501 1.00 0.00 C ATOM 317 C GLN A 24 4.199 -0.926 14.812 1.00 0.00 C ATOM 318 O GLN A 24 4.735 -1.242 13.750 1.00 0.00 O ATOM 319 CB GLN A 24 1.784 -1.511 15.101 1.00 0.00 C ATOM 320 CG GLN A 24 0.818 -2.680 15.194 1.00 0.00 C ATOM 321 CD GLN A 24 1.170 -3.806 14.242 1.00 0.00 C ATOM 322 OE1 GLN A 24 1.582 -4.886 14.665 1.00 0.00 O ATOM 323 NE2 GLN A 24 1.009 -3.559 12.947 1.00 0.00 N ATOM 0 H GLN A 24 2.559 -1.425 17.442 1.00 0.00 H new ATOM 0 HA GLN A 24 3.434 -2.886 15.180 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.427 -0.704 15.741 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.785 -1.131 14.079 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.812 -3.061 16.215 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.192 -2.330 14.979 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.665 -2.649 12.640 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.230 -4.279 12.259 1.00 0.00 H new ATOM 332 N ARG A 25 4.430 0.231 15.423 1.00 0.00 N ATOM 333 CA ARG A 25 5.347 1.219 14.868 1.00 0.00 C ATOM 334 C ARG A 25 6.793 0.745 14.982 1.00 0.00 C ATOM 335 O ARG A 25 7.605 0.974 14.086 1.00 0.00 O ATOM 336 CB ARG A 25 5.181 2.560 15.585 1.00 0.00 C ATOM 337 CG ARG A 25 6.216 3.599 15.181 1.00 0.00 C ATOM 338 CD ARG A 25 7.436 3.550 16.087 1.00 0.00 C ATOM 339 NE ARG A 25 7.104 3.877 17.471 1.00 0.00 N ATOM 340 CZ ARG A 25 7.990 4.326 18.353 1.00 0.00 C ATOM 341 NH1 ARG A 25 9.255 4.500 17.997 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.611 4.601 19.595 1.00 0.00 N ATOM 0 H ARG A 25 3.995 0.507 16.303 1.00 0.00 H new ATOM 0 HA ARG A 25 5.107 1.347 13.812 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.185 2.952 15.378 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.243 2.397 16.661 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.521 3.428 14.149 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.771 4.593 15.222 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.878 2.555 16.046 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.188 4.248 15.720 1.00 0.00 H new ATOM 0 HE ARG A 25 6.139 3.754 17.777 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.550 4.289 17.044 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.933 4.845 18.676 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.639 4.468 19.873 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.292 4.946 20.272 1.00 0.00 H new ATOM 356 N ASP A 26 7.107 0.082 16.090 1.00 0.00 N ATOM 357 CA ASP A 26 8.454 -0.425 16.322 1.00 0.00 C ATOM 358 C ASP A 26 8.789 -1.544 15.341 1.00 0.00 C ATOM 359 O ASP A 26 9.805 -1.492 14.648 1.00 0.00 O ATOM 360 CB ASP A 26 8.591 -0.932 17.759 1.00 0.00 C ATOM 361 CG ASP A 26 10.029 -1.231 18.132 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.678 -2.020 17.413 1.00 0.00 O ATOM 363 OD2 ASP A 26 10.507 -0.675 19.143 1.00 0.00 O ATOM 0 H ASP A 26 6.447 -0.117 16.841 1.00 0.00 H new ATOM 0 HA ASP A 26 9.156 0.394 16.166 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.188 -0.186 18.444 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.992 -1.834 17.882 1.00 0.00 H new ATOM 368 N ARG A 27 7.929 -2.556 15.288 1.00 0.00 N ATOM 369 CA ARG A 27 8.135 -3.689 14.394 1.00 0.00 C ATOM 370 C ARG A 27 8.399 -3.215 12.968 1.00 0.00 C ATOM 371 O ARG A 27 9.130 -3.858 12.214 1.00 0.00 O ATOM 372 CB ARG A 27 6.916 -4.613 14.418 1.00 0.00 C ATOM 373 CG ARG A 27 5.664 -3.985 13.828 1.00 0.00 C ATOM 374 CD ARG A 27 4.584 -5.026 13.576 1.00 0.00 C ATOM 375 NE ARG A 27 4.738 -5.670 12.275 1.00 0.00 N ATOM 376 CZ ARG A 27 4.221 -6.857 11.976 1.00 0.00 C ATOM 377 NH1 ARG A 27 3.519 -7.525 12.881 1.00 0.00 N ATOM 378 NH2 ARG A 27 4.404 -7.377 10.769 1.00 0.00 N ATOM 0 H ARG A 27 7.082 -2.614 15.854 1.00 0.00 H new ATOM 0 HA ARG A 27 9.008 -4.241 14.743 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.150 -5.524 13.866 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.714 -4.907 15.448 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.284 -3.222 14.507 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.913 -3.484 12.893 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.619 -5.782 14.361 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.604 -4.552 13.632 1.00 0.00 H new ATOM 0 HE ARG A 27 5.272 -5.182 11.556 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.375 -7.128 13.809 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.123 -8.436 12.649 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.942 -6.865 10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.007 -8.288 10.541 1.00 0.00 H new ATOM 392 N HIS A 28 7.799 -2.085 12.604 1.00 0.00 N ATOM 393 CA HIS A 28 7.969 -1.525 11.269 1.00 0.00 C ATOM 394 C HIS A 28 9.309 -0.805 11.149 1.00 0.00 C ATOM 395 O HIS A 28 9.897 -0.743 10.069 1.00 0.00 O ATOM 396 CB HIS A 28 6.828 -0.560 10.948 1.00 0.00 C ATOM 397 CG HIS A 28 6.741 -0.195 9.498 1.00 0.00 C ATOM 398 ND1 HIS A 28 7.064 1.056 9.016 1.00 0.00 N ATOM 399 CD2 HIS A 28 6.366 -0.926 8.422 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.890 1.079 7.707 1.00 0.00 C ATOM 401 NE2 HIS A 28 6.468 -0.111 7.322 1.00 0.00 N ATOM 0 H HIS A 28 7.191 -1.540 13.216 1.00 0.00 H new ATOM 0 HA HIS A 28 7.952 -2.346 10.553 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.885 -1.010 11.258 1.00 0.00 H new ATOM 0 HB3 HIS A 28 6.956 0.349 11.536 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.046 -1.958 8.428 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.063 1.927 7.061 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.253 -0.381 6.362 1.00 0.00 H new ATOM 409 N MET A 29 9.785 -0.261 12.264 1.00 0.00 N ATOM 410 CA MET A 29 11.056 0.455 12.283 1.00 0.00 C ATOM 411 C MET A 29 12.211 -0.480 11.941 1.00 0.00 C ATOM 412 O MET A 29 13.097 -0.129 11.161 1.00 0.00 O ATOM 413 CB MET A 29 11.287 1.090 13.655 1.00 0.00 C ATOM 414 CG MET A 29 10.680 2.477 13.793 1.00 0.00 C ATOM 415 SD MET A 29 11.178 3.306 15.315 1.00 0.00 S ATOM 416 CE MET A 29 12.933 3.516 15.027 1.00 0.00 C ATOM 0 H MET A 29 9.310 -0.302 13.166 1.00 0.00 H new ATOM 0 HA MET A 29 11.013 1.242 11.530 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.866 0.440 14.422 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.359 1.151 13.842 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.977 3.086 12.939 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.593 2.398 13.766 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.490 2.820 15.654 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.156 3.318 13.979 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.222 4.538 15.273 1.00 0.00 H new ATOM 426 N SER A 30 12.197 -1.672 12.531 1.00 0.00 N ATOM 427 CA SER A 30 13.246 -2.656 12.292 1.00 0.00 C ATOM 428 C SER A 30 13.361 -2.977 10.804 1.00 0.00 C ATOM 429 O SER A 30 14.462 -3.103 10.269 1.00 0.00 O ATOM 430 CB SER A 30 12.964 -3.936 13.081 1.00 0.00 C ATOM 431 OG SER A 30 13.177 -3.737 14.467 1.00 0.00 O ATOM 0 H SER A 30 11.471 -1.979 13.178 1.00 0.00 H new ATOM 0 HA SER A 30 14.192 -2.231 12.629 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.935 -4.253 12.910 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.609 -4.738 12.722 1.00 0.00 H new ATOM 0 HG SER A 30 12.989 -4.569 14.950 1.00 0.00 H new ATOM 437 N MET A 31 12.216 -3.107 10.143 1.00 0.00 N ATOM 438 CA MET A 31 12.188 -3.412 8.717 1.00 0.00 C ATOM 439 C MET A 31 13.174 -2.533 7.954 1.00 0.00 C ATOM 440 O MET A 31 13.959 -3.025 7.143 1.00 0.00 O ATOM 441 CB MET A 31 10.776 -3.217 8.161 1.00 0.00 C ATOM 442 CG MET A 31 9.747 -4.153 8.774 1.00 0.00 C ATOM 443 SD MET A 31 8.062 -3.763 8.263 1.00 0.00 S ATOM 444 CE MET A 31 8.326 -3.299 6.553 1.00 0.00 C ATOM 0 H MET A 31 11.296 -3.006 10.571 1.00 0.00 H new ATOM 0 HA MET A 31 12.482 -4.454 8.587 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.466 -2.186 8.333 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.795 -3.368 7.082 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.980 -5.179 8.490 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.815 -4.100 9.861 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.371 -3.288 6.027 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.775 -2.307 6.510 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.993 -4.019 6.079 1.00 0.00 H new ATOM 454 N HIS A 32 13.127 -1.231 8.218 1.00 0.00 N ATOM 455 CA HIS A 32 14.017 -0.285 7.555 1.00 0.00 C ATOM 456 C HIS A 32 15.476 -0.693 7.736 1.00 0.00 C ATOM 457 O HIS A 32 16.323 -0.400 6.890 1.00 0.00 O ATOM 458 CB HIS A 32 13.798 1.125 8.106 1.00 0.00 C ATOM 459 CG HIS A 32 12.353 1.499 8.236 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.427 1.282 7.239 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.677 2.078 9.256 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.244 1.712 7.638 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.368 2.200 8.860 1.00 0.00 N ATOM 0 H HIS A 32 12.483 -0.808 8.886 1.00 0.00 H new ATOM 0 HA HIS A 32 13.786 -0.291 6.490 1.00 0.00 H new ATOM 0 HB2 HIS A 32 14.274 1.202 9.083 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.293 1.843 7.452 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.090 2.387 10.205 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.330 1.672 7.063 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.614 2.602 9.418 1.00 0.00 H new ATOM 582 N CYS A 40 14.335 -1.574 -3.722 1.00 0.00 N ATOM 583 CA CYS A 40 13.525 -1.153 -4.858 1.00 0.00 C ATOM 584 C CYS A 40 12.789 0.148 -4.550 1.00 0.00 C ATOM 585 O CYS A 40 11.843 0.167 -3.764 1.00 0.00 O ATOM 586 CB CYS A 40 12.520 -2.246 -5.227 1.00 0.00 C ATOM 587 SG CYS A 40 11.287 -1.734 -6.467 1.00 0.00 S ATOM 0 HA CYS A 40 14.191 -0.981 -5.703 1.00 0.00 H new ATOM 0 HB2 CYS A 40 13.063 -3.111 -5.606 1.00 0.00 H new ATOM 0 HB3 CYS A 40 12.000 -2.567 -4.324 1.00 0.00 H new ATOM 0 HG CYS A 40 11.625 -0.582 -6.965 1.00 0.00 H new ATOM 592 N GLY A 41 13.232 1.234 -5.176 1.00 0.00 N ATOM 593 CA GLY A 41 12.604 2.524 -4.956 1.00 0.00 C ATOM 594 C GLY A 41 11.349 2.708 -5.787 1.00 0.00 C ATOM 595 O GLY A 41 11.036 3.819 -6.215 1.00 0.00 O ATOM 0 H GLY A 41 14.014 1.244 -5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.355 2.628 -3.900 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.314 3.316 -5.196 1.00 0.00 H new ATOM 599 N VAL A 42 10.629 1.615 -6.016 1.00 0.00 N ATOM 600 CA VAL A 42 9.401 1.660 -6.802 1.00 0.00 C ATOM 601 C VAL A 42 8.223 1.099 -6.013 1.00 0.00 C ATOM 602 O VAL A 42 7.146 1.696 -5.975 1.00 0.00 O ATOM 603 CB VAL A 42 9.546 0.870 -8.116 1.00 0.00 C ATOM 604 CG1 VAL A 42 8.263 0.946 -8.929 1.00 0.00 C ATOM 605 CG2 VAL A 42 10.728 1.390 -8.921 1.00 0.00 C ATOM 0 H VAL A 42 10.874 0.688 -5.669 1.00 0.00 H new ATOM 0 HA VAL A 42 9.213 2.708 -7.035 1.00 0.00 H new ATOM 0 HB VAL A 42 9.732 -0.176 -7.873 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.384 0.382 -9.854 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.441 0.523 -8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.043 1.987 -9.165 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.816 0.821 -9.846 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.573 2.443 -9.156 1.00 0.00 H new ATOM 0 HG23 VAL A 42 11.642 1.279 -8.338 1.00 0.00 H new ATOM 615 N CYS A 43 8.434 -0.051 -5.382 1.00 0.00 N ATOM 616 CA CYS A 43 7.391 -0.694 -4.593 1.00 0.00 C ATOM 617 C CYS A 43 7.754 -0.697 -3.111 1.00 0.00 C ATOM 618 O CYS A 43 6.889 -0.543 -2.249 1.00 0.00 O ATOM 619 CB CYS A 43 7.166 -2.128 -5.077 1.00 0.00 C ATOM 620 SG CYS A 43 8.509 -3.279 -4.639 1.00 0.00 S ATOM 0 H CYS A 43 9.319 -0.557 -5.402 1.00 0.00 H new ATOM 0 HA CYS A 43 6.470 -0.125 -4.723 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.232 -2.500 -4.657 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.047 -2.120 -6.160 1.00 0.00 H new ATOM 0 HG CYS A 43 9.617 -2.882 -5.190 1.00 0.00 H new ATOM 625 N GLY A 44 9.040 -0.873 -2.822 1.00 0.00 N ATOM 626 CA GLY A 44 9.495 -0.892 -1.444 1.00 0.00 C ATOM 627 C GLY A 44 10.085 -2.231 -1.047 1.00 0.00 C ATOM 628 O GLY A 44 9.991 -2.641 0.110 1.00 0.00 O ATOM 0 H GLY A 44 9.775 -1.003 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.243 -0.112 -1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.659 -0.657 -0.785 1.00 0.00 H new ATOM 632 N LYS A 45 10.693 -2.917 -2.009 1.00 0.00 N ATOM 633 CA LYS A 45 11.300 -4.218 -1.756 1.00 0.00 C ATOM 634 C LYS A 45 12.797 -4.079 -1.501 1.00 0.00 C ATOM 635 O LYS A 45 13.338 -2.973 -1.500 1.00 0.00 O ATOM 636 CB LYS A 45 11.058 -5.156 -2.940 1.00 0.00 C ATOM 637 CG LYS A 45 9.786 -5.977 -2.816 1.00 0.00 C ATOM 638 CD LYS A 45 9.899 -7.296 -3.563 1.00 0.00 C ATOM 639 CE LYS A 45 8.604 -8.090 -3.489 1.00 0.00 C ATOM 640 NZ LYS A 45 8.743 -9.436 -4.111 1.00 0.00 N ATOM 0 H LYS A 45 10.778 -2.593 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 45 10.835 -4.641 -0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.012 -4.567 -3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.908 -5.831 -3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.578 -6.170 -1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.944 -5.407 -3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.151 -7.104 -4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.713 -7.886 -3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.305 -8.201 -2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.810 -7.538 -3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.839 -9.946 -4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.004 -9.330 -5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.483 -9.973 -3.615 1.00 0.00 H new ATOM 654 N LYS A 46 13.464 -5.208 -1.286 1.00 0.00 N ATOM 655 CA LYS A 46 14.900 -5.214 -1.033 1.00 0.00 C ATOM 656 C LYS A 46 15.497 -6.587 -1.321 1.00 0.00 C ATOM 657 O LYS A 46 14.808 -7.604 -1.244 1.00 0.00 O ATOM 658 CB LYS A 46 15.184 -4.816 0.417 1.00 0.00 C ATOM 659 CG LYS A 46 14.635 -3.450 0.792 1.00 0.00 C ATOM 660 CD LYS A 46 15.174 -2.982 2.133 1.00 0.00 C ATOM 661 CE LYS A 46 14.398 -3.594 3.290 1.00 0.00 C ATOM 662 NZ LYS A 46 14.532 -2.789 4.535 1.00 0.00 N ATOM 0 H LYS A 46 13.032 -6.132 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 46 15.365 -4.488 -1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.754 -5.566 1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.261 -4.823 0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.898 -2.727 0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.547 -3.492 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.227 -3.251 2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.117 -1.895 2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.345 -3.672 3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.757 -4.607 3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.150 -3.327 5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.536 -2.577 4.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.003 -1.899 4.432 1.00 0.00 H new ATOM 676 N PHE A 47 16.784 -6.610 -1.652 1.00 0.00 N ATOM 677 CA PHE A 47 17.475 -7.859 -1.951 1.00 0.00 C ATOM 678 C PHE A 47 18.941 -7.783 -1.533 1.00 0.00 C ATOM 679 O PHE A 47 19.592 -6.750 -1.693 1.00 0.00 O ATOM 680 CB PHE A 47 17.374 -8.177 -3.444 1.00 0.00 C ATOM 681 CG PHE A 47 15.969 -8.135 -3.972 1.00 0.00 C ATOM 682 CD1 PHE A 47 15.326 -6.924 -4.172 1.00 0.00 C ATOM 683 CD2 PHE A 47 15.291 -9.307 -4.270 1.00 0.00 C ATOM 684 CE1 PHE A 47 14.032 -6.883 -4.657 1.00 0.00 C ATOM 685 CE2 PHE A 47 13.997 -9.271 -4.756 1.00 0.00 C ATOM 686 CZ PHE A 47 13.368 -8.058 -4.951 1.00 0.00 C ATOM 0 H PHE A 47 17.370 -5.778 -1.720 1.00 0.00 H new ATOM 0 HA PHE A 47 16.995 -8.656 -1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 47 17.984 -7.466 -4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 47 17.792 -9.167 -3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 47 15.841 -6.002 -3.947 1.00 0.00 H new ATOM 0 HD2 PHE A 47 15.779 -10.259 -4.121 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.541 -5.933 -4.806 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.479 -10.191 -4.983 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.358 -8.028 -5.333 1.00 0.00 H new ATOM 696 N LYS A 48 19.454 -8.885 -0.997 1.00 0.00 N ATOM 697 CA LYS A 48 20.843 -8.946 -0.556 1.00 0.00 C ATOM 698 C LYS A 48 21.796 -8.840 -1.743 1.00 0.00 C ATOM 699 O LYS A 48 22.793 -8.121 -1.687 1.00 0.00 O ATOM 700 CB LYS A 48 21.101 -10.249 0.204 1.00 0.00 C ATOM 701 CG LYS A 48 22.401 -10.247 0.990 1.00 0.00 C ATOM 702 CD LYS A 48 22.316 -11.147 2.211 1.00 0.00 C ATOM 703 CE LYS A 48 22.343 -12.618 1.823 1.00 0.00 C ATOM 704 NZ LYS A 48 22.701 -13.489 2.976 1.00 0.00 N ATOM 0 H LYS A 48 18.929 -9.748 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 48 21.024 -8.102 0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.272 -10.431 0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.116 -11.077 -0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.216 -10.580 0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.637 -9.230 1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.148 -10.931 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.399 -10.931 2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.366 -12.910 1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.062 -12.768 1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.709 -14.483 2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 23.644 -13.228 3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 22.001 -13.365 3.735 1.00 0.00 H new ATOM 718 N MET A 49 21.481 -9.559 -2.815 1.00 0.00 N ATOM 719 CA MET A 49 22.308 -9.542 -4.016 1.00 0.00 C ATOM 720 C MET A 49 21.770 -8.540 -5.033 1.00 0.00 C ATOM 721 O MET A 49 20.595 -8.175 -4.998 1.00 0.00 O ATOM 722 CB MET A 49 22.367 -10.938 -4.639 1.00 0.00 C ATOM 723 CG MET A 49 22.933 -11.997 -3.707 1.00 0.00 C ATOM 724 SD MET A 49 24.593 -11.596 -3.127 1.00 0.00 S ATOM 725 CE MET A 49 25.041 -13.122 -2.303 1.00 0.00 C ATOM 0 H MET A 49 20.660 -10.160 -2.877 1.00 0.00 H new ATOM 0 HA MET A 49 23.315 -9.237 -3.730 1.00 0.00 H new ATOM 0 HB2 MET A 49 21.363 -11.233 -4.944 1.00 0.00 H new ATOM 0 HB3 MET A 49 22.976 -10.898 -5.542 1.00 0.00 H new ATOM 0 HG2 MET A 49 22.270 -12.112 -2.849 1.00 0.00 H new ATOM 0 HG3 MET A 49 22.955 -12.956 -4.224 1.00 0.00 H new ATOM 0 HE1 MET A 49 26.046 -13.031 -1.890 1.00 0.00 H new ATOM 0 HE2 MET A 49 24.334 -13.322 -1.498 1.00 0.00 H new ATOM 0 HE3 MET A 49 25.016 -13.943 -3.019 1.00 0.00 H new ATOM 735 N LYS A 50 22.638 -8.100 -5.938 1.00 0.00 N ATOM 736 CA LYS A 50 22.250 -7.141 -6.965 1.00 0.00 C ATOM 737 C LYS A 50 21.342 -7.792 -8.003 1.00 0.00 C ATOM 738 O LYS A 50 20.311 -7.234 -8.378 1.00 0.00 O ATOM 739 CB LYS A 50 23.493 -6.565 -7.649 1.00 0.00 C ATOM 740 CG LYS A 50 24.353 -7.615 -8.331 1.00 0.00 C ATOM 741 CD LYS A 50 25.518 -6.984 -9.075 1.00 0.00 C ATOM 742 CE LYS A 50 26.382 -8.036 -9.752 1.00 0.00 C ATOM 743 NZ LYS A 50 25.854 -8.408 -11.094 1.00 0.00 N ATOM 0 H LYS A 50 23.614 -8.392 -5.981 1.00 0.00 H new ATOM 0 HA LYS A 50 21.700 -6.333 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 50 23.182 -5.827 -8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.095 -6.040 -6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.732 -8.316 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 50 23.743 -8.189 -9.028 1.00 0.00 H new ATOM 0 HD2 LYS A 50 25.139 -6.287 -9.822 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.125 -6.406 -8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 50 27.400 -7.659 -9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 50 26.432 -8.924 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 26.471 -9.127 -11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 24.892 -8.791 -10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 25.830 -7.565 -11.703 1.00 0.00 H new ATOM 757 N HIS A 51 21.731 -8.977 -8.463 1.00 0.00 N ATOM 758 CA HIS A 51 20.950 -9.706 -9.456 1.00 0.00 C ATOM 759 C HIS A 51 19.577 -10.074 -8.904 1.00 0.00 C ATOM 760 O HIS A 51 18.595 -10.137 -9.644 1.00 0.00 O ATOM 761 CB HIS A 51 21.693 -10.969 -9.893 1.00 0.00 C ATOM 762 CG HIS A 51 22.529 -11.577 -8.809 1.00 0.00 C ATOM 763 ND1 HIS A 51 23.815 -11.166 -8.531 1.00 0.00 N ATOM 764 CD2 HIS A 51 22.255 -12.571 -7.931 1.00 0.00 C ATOM 765 CE1 HIS A 51 24.297 -11.882 -7.531 1.00 0.00 C ATOM 766 NE2 HIS A 51 23.370 -12.741 -7.148 1.00 0.00 N ATOM 0 H HIS A 51 22.582 -9.453 -8.164 1.00 0.00 H new ATOM 0 HA HIS A 51 20.812 -9.057 -10.321 1.00 0.00 H new ATOM 0 HB2 HIS A 51 20.968 -11.706 -10.238 1.00 0.00 H new ATOM 0 HB3 HIS A 51 22.333 -10.729 -10.742 1.00 0.00 H new ATOM 0 HD2 HIS A 51 21.332 -13.126 -7.860 1.00 0.00 H new ATOM 0 HE1 HIS A 51 25.282 -11.782 -7.100 1.00 0.00 H new ATOM 0 HE2 HIS A 51 23.467 -13.420 -6.393 1.00 0.00 H new ATOM 774 N HIS A 52 19.515 -10.318 -7.598 1.00 0.00 N ATOM 775 CA HIS A 52 18.261 -10.680 -6.947 1.00 0.00 C ATOM 776 C HIS A 52 17.229 -9.567 -7.096 1.00 0.00 C ATOM 777 O HIS A 52 16.023 -9.817 -7.078 1.00 0.00 O ATOM 778 CB HIS A 52 18.499 -10.976 -5.465 1.00 0.00 C ATOM 779 CG HIS A 52 19.043 -12.347 -5.208 1.00 0.00 C ATOM 780 ND1 HIS A 52 19.733 -12.680 -4.061 1.00 0.00 N ATOM 781 CD2 HIS A 52 18.994 -13.474 -5.956 1.00 0.00 C ATOM 782 CE1 HIS A 52 20.087 -13.952 -4.117 1.00 0.00 C ATOM 783 NE2 HIS A 52 19.650 -14.457 -5.256 1.00 0.00 N ATOM 0 H HIS A 52 20.318 -10.272 -6.971 1.00 0.00 H new ATOM 0 HA HIS A 52 17.874 -11.576 -7.432 1.00 0.00 H new ATOM 0 HB2 HIS A 52 19.192 -10.238 -5.062 1.00 0.00 H new ATOM 0 HB3 HIS A 52 17.560 -10.860 -4.924 1.00 0.00 H new ATOM 0 HD2 HIS A 52 18.526 -13.581 -6.924 1.00 0.00 H new ATOM 0 HE1 HIS A 52 20.640 -14.488 -3.360 1.00 0.00 H new ATOM 0 HE2 HIS A 52 19.779 -15.420 -5.566 1.00 0.00 H new ATOM 791 N LEU A 53 17.710 -8.337 -7.244 1.00 0.00 N ATOM 792 CA LEU A 53 16.830 -7.184 -7.396 1.00 0.00 C ATOM 793 C LEU A 53 16.365 -7.041 -8.841 1.00 0.00 C ATOM 794 O LEU A 53 15.197 -6.755 -9.104 1.00 0.00 O ATOM 795 CB LEU A 53 17.546 -5.908 -6.949 1.00 0.00 C ATOM 796 CG LEU A 53 16.824 -4.594 -7.249 1.00 0.00 C ATOM 797 CD1 LEU A 53 15.573 -4.465 -6.395 1.00 0.00 C ATOM 798 CD2 LEU A 53 17.754 -3.411 -7.019 1.00 0.00 C ATOM 0 H LEU A 53 18.705 -8.113 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 53 15.954 -7.341 -6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 53 17.717 -5.968 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 53 18.526 -5.879 -7.426 1.00 0.00 H new ATOM 0 HG LEU A 53 16.524 -4.597 -8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.073 -3.524 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 53 14.899 -5.295 -6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 53 15.849 -4.484 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.224 -2.484 -7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.084 -3.404 -5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 53 18.621 -3.497 -7.675 1.00 0.00 H new ATOM 810 N VAL A 54 17.287 -7.244 -9.777 1.00 0.00 N ATOM 811 CA VAL A 54 16.972 -7.140 -11.197 1.00 0.00 C ATOM 812 C VAL A 54 15.806 -8.049 -11.568 1.00 0.00 C ATOM 813 O VAL A 54 14.841 -7.614 -12.195 1.00 0.00 O ATOM 814 CB VAL A 54 18.189 -7.501 -12.070 1.00 0.00 C ATOM 815 CG1 VAL A 54 17.765 -7.714 -13.515 1.00 0.00 C ATOM 816 CG2 VAL A 54 19.254 -6.420 -11.971 1.00 0.00 C ATOM 0 H VAL A 54 18.259 -7.482 -9.577 1.00 0.00 H new ATOM 0 HA VAL A 54 16.695 -6.103 -11.385 1.00 0.00 H new ATOM 0 HB VAL A 54 18.616 -8.434 -11.701 1.00 0.00 H new ATOM 0 HG11 VAL A 54 18.638 -7.968 -14.117 1.00 0.00 H new ATOM 0 HG12 VAL A 54 17.040 -8.527 -13.566 1.00 0.00 H new ATOM 0 HG13 VAL A 54 17.313 -6.800 -13.900 1.00 0.00 H new ATOM 0 HG21 VAL A 54 20.107 -6.691 -12.594 1.00 0.00 H new ATOM 0 HG22 VAL A 54 18.842 -5.471 -12.313 1.00 0.00 H new ATOM 0 HG23 VAL A 54 19.578 -6.322 -10.935 1.00 0.00 H new ATOM 826 N GLY A 55 15.902 -9.316 -11.176 1.00 0.00 N ATOM 827 CA GLY A 55 14.848 -10.267 -11.476 1.00 0.00 C ATOM 828 C GLY A 55 13.488 -9.797 -10.998 1.00 0.00 C ATOM 829 O GLY A 55 12.461 -10.366 -11.368 1.00 0.00 O ATOM 0 H GLY A 55 16.691 -9.700 -10.656 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.812 -10.437 -12.552 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.083 -11.224 -11.009 1.00 0.00 H new ATOM 833 N HIS A 56 13.481 -8.756 -10.171 1.00 0.00 N ATOM 834 CA HIS A 56 12.238 -8.210 -9.640 1.00 0.00 C ATOM 835 C HIS A 56 11.925 -6.856 -10.271 1.00 0.00 C ATOM 836 O HIS A 56 10.769 -6.545 -10.554 1.00 0.00 O ATOM 837 CB HIS A 56 12.326 -8.068 -8.120 1.00 0.00 C ATOM 838 CG HIS A 56 11.447 -6.989 -7.567 1.00 0.00 C ATOM 839 ND1 HIS A 56 10.107 -7.172 -7.301 1.00 0.00 N ATOM 840 CD2 HIS A 56 11.725 -5.708 -7.228 1.00 0.00 C ATOM 841 CE1 HIS A 56 9.597 -6.050 -6.824 1.00 0.00 C ATOM 842 NE2 HIS A 56 10.559 -5.147 -6.769 1.00 0.00 N ATOM 0 H HIS A 56 14.322 -8.274 -9.854 1.00 0.00 H new ATOM 0 HA HIS A 56 11.433 -8.902 -9.887 1.00 0.00 H new ATOM 0 HB2 HIS A 56 12.055 -9.018 -7.658 1.00 0.00 H new ATOM 0 HB3 HIS A 56 13.359 -7.861 -7.842 1.00 0.00 H new ATOM 0 HD2 HIS A 56 12.685 -5.219 -7.304 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.569 -5.898 -6.530 1.00 0.00 H new ATOM 0 HE2 HIS A 56 10.453 -4.188 -6.439 1.00 0.00 H new ATOM 850 N MET A 57 12.964 -6.057 -10.489 1.00 0.00 N ATOM 851 CA MET A 57 12.800 -4.737 -11.087 1.00 0.00 C ATOM 852 C MET A 57 12.120 -4.838 -12.449 1.00 0.00 C ATOM 853 O MET A 57 11.453 -3.903 -12.893 1.00 0.00 O ATOM 854 CB MET A 57 14.157 -4.046 -11.232 1.00 0.00 C ATOM 855 CG MET A 57 14.896 -3.876 -9.914 1.00 0.00 C ATOM 856 SD MET A 57 14.595 -2.271 -9.151 1.00 0.00 S ATOM 857 CE MET A 57 12.807 -2.186 -9.234 1.00 0.00 C ATOM 0 H MET A 57 13.928 -6.300 -10.261 1.00 0.00 H new ATOM 0 HA MET A 57 12.167 -4.143 -10.427 1.00 0.00 H new ATOM 0 HB2 MET A 57 14.779 -4.624 -11.916 1.00 0.00 H new ATOM 0 HB3 MET A 57 14.010 -3.066 -11.686 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.590 -4.664 -9.226 1.00 0.00 H new ATOM 0 HG3 MET A 57 15.966 -3.999 -10.083 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.466 -1.254 -8.783 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.489 -2.222 -10.276 1.00 0.00 H new ATOM 0 HE3 MET A 57 12.377 -3.030 -8.694 1.00 0.00 H new ATOM 867 N LYS A 58 12.293 -5.979 -13.108 1.00 0.00 N ATOM 868 CA LYS A 58 11.696 -6.203 -14.419 1.00 0.00 C ATOM 869 C LYS A 58 10.175 -6.116 -14.347 1.00 0.00 C ATOM 870 O LYS A 58 9.496 -6.101 -15.374 1.00 0.00 O ATOM 871 CB LYS A 58 12.114 -7.571 -14.965 1.00 0.00 C ATOM 872 CG LYS A 58 11.841 -8.717 -14.007 1.00 0.00 C ATOM 873 CD LYS A 58 12.612 -9.966 -14.398 1.00 0.00 C ATOM 874 CE LYS A 58 11.843 -10.803 -15.409 1.00 0.00 C ATOM 875 NZ LYS A 58 10.535 -11.264 -14.867 1.00 0.00 N ATOM 0 H LYS A 58 12.842 -6.763 -12.755 1.00 0.00 H new ATOM 0 HA LYS A 58 12.055 -5.424 -15.092 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.586 -7.757 -15.900 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.178 -7.550 -15.199 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.117 -8.420 -12.995 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.773 -8.936 -13.995 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.577 -9.682 -14.818 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.814 -10.563 -13.509 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.675 -10.217 -16.313 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.442 -11.667 -15.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.265 -12.158 -15.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.617 -11.412 -13.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.808 -10.545 -15.056 1.00 0.00 H new ATOM 889 N ILE A 59 9.648 -6.056 -13.129 1.00 0.00 N ATOM 890 CA ILE A 59 8.208 -5.968 -12.924 1.00 0.00 C ATOM 891 C ILE A 59 7.734 -4.519 -12.970 1.00 0.00 C ATOM 892 O ILE A 59 6.545 -4.248 -13.141 1.00 0.00 O ATOM 893 CB ILE A 59 7.791 -6.589 -11.577 1.00 0.00 C ATOM 894 CG1 ILE A 59 7.983 -5.579 -10.444 1.00 0.00 C ATOM 895 CG2 ILE A 59 8.592 -7.854 -11.308 1.00 0.00 C ATOM 896 CD1 ILE A 59 7.601 -6.119 -9.083 1.00 0.00 C ATOM 0 H ILE A 59 10.197 -6.067 -12.269 1.00 0.00 H new ATOM 0 HA ILE A 59 7.740 -6.528 -13.734 1.00 0.00 H new ATOM 0 HB ILE A 59 6.735 -6.854 -11.626 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.026 -5.264 -10.421 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.387 -4.691 -10.654 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.287 -8.282 -10.353 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.410 -8.576 -12.104 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.654 -7.612 -11.274 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.763 -5.350 -8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.550 -6.408 -9.088 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.215 -6.989 -8.851 1.00 0.00 H new ATOM 908 N HIS A 60 8.673 -3.590 -12.818 1.00 0.00 N ATOM 909 CA HIS A 60 8.352 -2.167 -12.845 1.00 0.00 C ATOM 910 C HIS A 60 8.808 -1.532 -14.155 1.00 0.00 C ATOM 911 O HIS A 60 8.121 -0.679 -14.717 1.00 0.00 O ATOM 912 CB HIS A 60 9.007 -1.453 -11.663 1.00 0.00 C ATOM 913 CG HIS A 60 8.570 -1.976 -10.330 1.00 0.00 C ATOM 914 ND1 HIS A 60 7.250 -2.012 -9.932 1.00 0.00 N ATOM 915 CD2 HIS A 60 9.285 -2.488 -9.301 1.00 0.00 C ATOM 916 CE1 HIS A 60 7.173 -2.522 -8.715 1.00 0.00 C ATOM 917 NE2 HIS A 60 8.394 -2.819 -8.310 1.00 0.00 N ATOM 0 H HIS A 60 9.662 -3.797 -12.675 1.00 0.00 H new ATOM 0 HA HIS A 60 7.270 -2.062 -12.769 1.00 0.00 H new ATOM 0 HB2 HIS A 60 10.090 -1.550 -11.745 1.00 0.00 H new ATOM 0 HB3 HIS A 60 8.777 -0.389 -11.720 1.00 0.00 H new ATOM 0 HD2 HIS A 60 10.357 -2.613 -9.266 1.00 0.00 H new ATOM 0 HE1 HIS A 60 6.266 -2.670 -8.148 1.00 0.00 H new ATOM 0 HE2 HIS A 60 8.636 -3.228 -7.407 1.00 0.00 H new ATOM 1001 N TYR A 66 0.440 6.018 -17.774 1.00 0.00 N ATOM 1002 CA TYR A 66 -0.614 6.282 -16.802 1.00 0.00 C ATOM 1003 C TYR A 66 -0.156 5.924 -15.391 1.00 0.00 C ATOM 1004 O TYR A 66 0.648 5.013 -15.201 1.00 0.00 O ATOM 1005 CB TYR A 66 -1.874 5.491 -17.157 1.00 0.00 C ATOM 1006 CG TYR A 66 -2.193 5.493 -18.635 1.00 0.00 C ATOM 1007 CD1 TYR A 66 -2.860 6.562 -19.220 1.00 0.00 C ATOM 1008 CD2 TYR A 66 -1.828 4.426 -19.447 1.00 0.00 C ATOM 1009 CE1 TYR A 66 -3.155 6.568 -20.570 1.00 0.00 C ATOM 1010 CE2 TYR A 66 -2.117 4.424 -20.798 1.00 0.00 C ATOM 1011 CZ TYR A 66 -2.781 5.497 -21.354 1.00 0.00 C ATOM 1012 OH TYR A 66 -3.071 5.500 -22.699 1.00 0.00 O ATOM 0 HA TYR A 66 -0.842 7.348 -16.831 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.753 4.461 -16.821 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.720 5.907 -16.610 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.153 7.403 -18.609 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.309 3.583 -19.014 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.675 7.407 -21.009 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.825 3.587 -21.415 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.739 4.673 -23.107 1.00 0.00 H new ATOM 1022 N GLU A 67 -0.676 6.650 -14.406 1.00 0.00 N ATOM 1023 CA GLU A 67 -0.321 6.409 -13.012 1.00 0.00 C ATOM 1024 C GLU A 67 -1.451 6.838 -12.081 1.00 0.00 C ATOM 1025 O GLU A 67 -2.016 7.923 -12.229 1.00 0.00 O ATOM 1026 CB GLU A 67 0.963 7.160 -12.653 1.00 0.00 C ATOM 1027 CG GLU A 67 1.169 7.332 -11.157 1.00 0.00 C ATOM 1028 CD GLU A 67 2.363 8.207 -10.830 1.00 0.00 C ATOM 1029 OE1 GLU A 67 3.265 8.326 -11.686 1.00 0.00 O ATOM 1030 OE2 GLU A 67 2.396 8.774 -9.718 1.00 0.00 O ATOM 0 H GLU A 67 -1.343 7.408 -14.547 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.156 5.339 -12.885 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.816 6.624 -13.070 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.943 8.143 -13.124 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.272 7.769 -10.718 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.304 6.353 -10.698 1.00 0.00 H new ATOM 1037 N CYS A 68 -1.777 5.979 -11.121 1.00 0.00 N ATOM 1038 CA CYS A 68 -2.840 6.267 -10.165 1.00 0.00 C ATOM 1039 C CYS A 68 -2.544 7.548 -9.391 1.00 0.00 C ATOM 1040 O CYS A 68 -1.441 8.087 -9.463 1.00 0.00 O ATOM 1041 CB CYS A 68 -3.011 5.098 -9.193 1.00 0.00 C ATOM 1042 SG CYS A 68 -4.628 5.057 -8.355 1.00 0.00 S ATOM 0 H CYS A 68 -1.320 5.077 -10.984 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.767 6.406 -10.722 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.872 4.164 -9.737 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.225 5.148 -8.440 1.00 0.00 H new ATOM 0 HG CYS A 68 -4.942 3.826 -8.077 1.00 0.00 H new ATOM 1047 N ASN A 69 -3.537 8.028 -8.650 1.00 0.00 N ATOM 1048 CA ASN A 69 -3.383 9.246 -7.862 1.00 0.00 C ATOM 1049 C ASN A 69 -3.308 8.924 -6.372 1.00 0.00 C ATOM 1050 O ASN A 69 -2.626 9.611 -5.612 1.00 0.00 O ATOM 1051 CB ASN A 69 -4.547 10.202 -8.131 1.00 0.00 C ATOM 1052 CG ASN A 69 -5.896 9.519 -8.013 1.00 0.00 C ATOM 1053 OD1 ASN A 69 -6.650 9.769 -7.072 1.00 0.00 O ATOM 1054 ND2 ASN A 69 -6.205 8.652 -8.969 1.00 0.00 N ATOM 0 H ASN A 69 -4.457 7.593 -8.578 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.451 9.726 -8.159 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.501 11.033 -7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.443 10.624 -9.130 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.099 8.161 -8.943 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.549 8.476 -9.730 1.00 0.00 H new ATOM 1061 N ILE A 70 -4.013 7.874 -5.963 1.00 0.00 N ATOM 1062 CA ILE A 70 -4.025 7.461 -4.566 1.00 0.00 C ATOM 1063 C ILE A 70 -2.752 6.703 -4.206 1.00 0.00 C ATOM 1064 O ILE A 70 -1.926 7.188 -3.432 1.00 0.00 O ATOM 1065 CB ILE A 70 -5.243 6.572 -4.252 1.00 0.00 C ATOM 1066 CG1 ILE A 70 -6.540 7.305 -4.602 1.00 0.00 C ATOM 1067 CG2 ILE A 70 -5.238 6.164 -2.787 1.00 0.00 C ATOM 1068 CD1 ILE A 70 -7.015 7.053 -6.016 1.00 0.00 C ATOM 0 H ILE A 70 -4.583 7.295 -6.579 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.085 8.371 -3.969 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.182 5.669 -4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.320 6.998 -3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.391 8.376 -4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.105 5.536 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.327 5.608 -2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.279 7.055 -2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.939 7.604 -6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.253 7.386 -6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.196 5.987 -6.154 1.00 0.00 H new ATOM 1080 N CYS A 71 -2.598 5.512 -4.774 1.00 0.00 N ATOM 1081 CA CYS A 71 -1.424 4.687 -4.515 1.00 0.00 C ATOM 1082 C CYS A 71 -0.255 5.111 -5.399 1.00 0.00 C ATOM 1083 O CYS A 71 0.902 4.822 -5.096 1.00 0.00 O ATOM 1084 CB CYS A 71 -1.750 3.211 -4.755 1.00 0.00 C ATOM 1085 SG CYS A 71 -2.407 2.855 -6.417 1.00 0.00 S ATOM 0 H CYS A 71 -3.272 5.096 -5.417 1.00 0.00 H new ATOM 0 HA CYS A 71 -1.137 4.825 -3.473 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.847 2.621 -4.599 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.477 2.885 -4.011 1.00 0.00 H new ATOM 0 HG CYS A 71 -3.124 3.860 -6.825 1.00 0.00 H new ATOM 1090 N ALA A 72 -0.566 5.799 -6.492 1.00 0.00 N ATOM 1091 CA ALA A 72 0.458 6.266 -7.419 1.00 0.00 C ATOM 1092 C ALA A 72 1.028 5.110 -8.234 1.00 0.00 C ATOM 1093 O ALA A 72 2.166 5.169 -8.702 1.00 0.00 O ATOM 1094 CB ALA A 72 1.568 6.979 -6.662 1.00 0.00 C ATOM 0 H ALA A 72 -1.519 6.046 -6.758 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.005 6.970 -8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.326 7.323 -7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.153 7.835 -6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.021 6.291 -5.948 1.00 0.00 H new ATOM 1100 N LYS A 73 0.232 4.060 -8.401 1.00 0.00 N ATOM 1101 CA LYS A 73 0.656 2.890 -9.160 1.00 0.00 C ATOM 1102 C LYS A 73 0.915 3.253 -10.619 1.00 0.00 C ATOM 1103 O LYS A 73 0.551 4.338 -11.073 1.00 0.00 O ATOM 1104 CB LYS A 73 -0.405 1.790 -9.078 1.00 0.00 C ATOM 1105 CG LYS A 73 -0.086 0.713 -8.055 1.00 0.00 C ATOM 1106 CD LYS A 73 -1.006 -0.487 -8.205 1.00 0.00 C ATOM 1107 CE LYS A 73 -0.289 -1.785 -7.866 1.00 0.00 C ATOM 1108 NZ LYS A 73 0.404 -2.361 -9.052 1.00 0.00 N ATOM 0 H LYS A 73 -0.712 3.995 -8.020 1.00 0.00 H new ATOM 0 HA LYS A 73 1.585 2.523 -8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.366 2.241 -8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.513 1.327 -10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.950 0.395 -8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.183 1.124 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.871 -0.367 -7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.381 -0.534 -9.227 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.437 -1.603 -7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.008 -2.507 -7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.881 -3.245 -8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.292 -2.559 -9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.108 -1.683 -9.406 1.00 0.00 H new ATOM 1122 N ARG A 74 1.545 2.338 -11.349 1.00 0.00 N ATOM 1123 CA ARG A 74 1.852 2.562 -12.756 1.00 0.00 C ATOM 1124 C ARG A 74 1.326 1.417 -13.617 1.00 0.00 C ATOM 1125 O ARG A 74 1.475 0.245 -13.268 1.00 0.00 O ATOM 1126 CB ARG A 74 3.362 2.710 -12.954 1.00 0.00 C ATOM 1127 CG ARG A 74 4.002 3.721 -12.016 1.00 0.00 C ATOM 1128 CD ARG A 74 5.442 3.350 -11.696 1.00 0.00 C ATOM 1129 NE ARG A 74 6.208 4.496 -11.214 1.00 0.00 N ATOM 1130 CZ ARG A 74 7.527 4.483 -11.053 1.00 0.00 C ATOM 1131 NH1 ARG A 74 8.221 3.390 -11.335 1.00 0.00 N ATOM 1132 NH2 ARG A 74 8.153 5.566 -10.610 1.00 0.00 N ATOM 0 H ARG A 74 1.853 1.435 -10.989 1.00 0.00 H new ATOM 0 HA ARG A 74 1.359 3.483 -13.066 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.836 1.740 -12.807 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.558 3.008 -13.984 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.973 4.711 -12.471 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.426 3.778 -11.092 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.455 2.563 -10.942 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.919 2.945 -12.588 1.00 0.00 H new ATOM 0 HE ARG A 74 5.703 5.353 -10.989 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.743 2.556 -11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.233 3.382 -11.211 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.622 6.409 -10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.165 5.555 -10.487 1.00 0.00 H new ATOM 1146 N PHE A 75 0.709 1.764 -14.741 1.00 0.00 N ATOM 1147 CA PHE A 75 0.160 0.765 -15.651 1.00 0.00 C ATOM 1148 C PHE A 75 0.692 0.968 -17.067 1.00 0.00 C ATOM 1149 O PHE A 75 1.260 2.012 -17.384 1.00 0.00 O ATOM 1150 CB PHE A 75 -1.369 0.834 -15.654 1.00 0.00 C ATOM 1151 CG PHE A 75 -1.986 0.507 -14.324 1.00 0.00 C ATOM 1152 CD1 PHE A 75 -2.139 1.488 -13.357 1.00 0.00 C ATOM 1153 CD2 PHE A 75 -2.412 -0.780 -14.041 1.00 0.00 C ATOM 1154 CE1 PHE A 75 -2.707 1.191 -12.132 1.00 0.00 C ATOM 1155 CE2 PHE A 75 -2.981 -1.083 -12.818 1.00 0.00 C ATOM 1156 CZ PHE A 75 -3.127 -0.097 -11.862 1.00 0.00 C ATOM 0 H PHE A 75 0.576 2.729 -15.044 1.00 0.00 H new ATOM 0 HA PHE A 75 0.473 -0.219 -15.302 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.679 1.835 -15.953 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.755 0.143 -16.404 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.811 2.496 -13.563 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.298 -1.556 -14.784 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.822 1.965 -11.387 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.311 -2.090 -12.610 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.569 -0.333 -10.905 1.00 0.00 H new ATOM 1166 N MET A 76 0.503 -0.040 -17.913 1.00 0.00 N ATOM 1167 CA MET A 76 0.963 0.027 -19.295 1.00 0.00 C ATOM 1168 C MET A 76 -0.216 -0.002 -20.262 1.00 0.00 C ATOM 1169 O MET A 76 -0.047 -0.268 -21.452 1.00 0.00 O ATOM 1170 CB MET A 76 1.913 -1.133 -19.596 1.00 0.00 C ATOM 1171 CG MET A 76 2.824 -0.880 -20.787 1.00 0.00 C ATOM 1172 SD MET A 76 3.621 -2.384 -21.383 1.00 0.00 S ATOM 1173 CE MET A 76 2.651 -2.721 -22.851 1.00 0.00 C ATOM 0 H MET A 76 0.035 -0.912 -17.666 1.00 0.00 H new ATOM 0 HA MET A 76 1.497 0.968 -19.429 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.525 -1.328 -18.716 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.327 -2.033 -19.782 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.244 -0.436 -21.596 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.588 -0.155 -20.508 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.651 -3.793 -23.049 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.627 -2.381 -22.697 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.084 -2.195 -23.702 1.00 0.00 H new ATOM 1183 N TRP A 77 -1.407 0.274 -19.744 1.00 0.00 N ATOM 1184 CA TRP A 77 -2.614 0.279 -20.563 1.00 0.00 C ATOM 1185 C TRP A 77 -3.648 1.249 -20.003 1.00 0.00 C ATOM 1186 O TRP A 77 -3.909 1.267 -18.800 1.00 0.00 O ATOM 1187 CB TRP A 77 -3.207 -1.129 -20.642 1.00 0.00 C ATOM 1188 CG TRP A 77 -2.222 -2.165 -21.090 1.00 0.00 C ATOM 1189 CD1 TRP A 77 -1.335 -2.846 -20.305 1.00 0.00 C ATOM 1190 CD2 TRP A 77 -2.021 -2.636 -22.427 1.00 0.00 C ATOM 1191 NE1 TRP A 77 -0.596 -3.712 -21.074 1.00 0.00 N ATOM 1192 CE2 TRP A 77 -0.998 -3.603 -22.379 1.00 0.00 C ATOM 1193 CE3 TRP A 77 -2.608 -2.337 -23.659 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 -0.550 -4.269 -23.517 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 -2.162 -2.998 -24.787 1.00 0.00 C ATOM 1196 CH2 TRP A 77 -1.142 -3.956 -24.710 1.00 0.00 C ATOM 0 H TRP A 77 -1.563 0.497 -18.761 1.00 0.00 H new ATOM 0 HA TRP A 77 -2.341 0.608 -21.566 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -3.595 -1.407 -19.662 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.053 -1.121 -21.330 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -1.230 -2.722 -19.237 1.00 0.00 H new ATOM 0 HE1 TRP A 77 0.134 -4.335 -20.729 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -3.396 -1.602 -23.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 0.237 -5.006 -23.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -2.607 -2.773 -25.745 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -0.817 -4.457 -25.610 1.00 0.00 H new ATOM 1207 N ARG A 78 -4.234 2.055 -20.883 1.00 0.00 N ATOM 1208 CA ARG A 78 -5.239 3.030 -20.475 1.00 0.00 C ATOM 1209 C ARG A 78 -6.418 2.342 -19.793 1.00 0.00 C ATOM 1210 O ARG A 78 -6.879 2.779 -18.739 1.00 0.00 O ATOM 1211 CB ARG A 78 -5.730 3.825 -21.686 1.00 0.00 C ATOM 1212 CG ARG A 78 -6.728 4.916 -21.334 1.00 0.00 C ATOM 1213 CD ARG A 78 -6.028 6.194 -20.901 1.00 0.00 C ATOM 1214 NE ARG A 78 -6.954 7.319 -20.800 1.00 0.00 N ATOM 1215 CZ ARG A 78 -6.678 8.442 -20.148 1.00 0.00 C ATOM 1216 NH1 ARG A 78 -5.507 8.591 -19.543 1.00 0.00 N ATOM 1217 NH2 ARG A 78 -7.573 9.421 -20.100 1.00 0.00 N ATOM 0 H ARG A 78 -4.030 2.052 -21.882 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.778 3.714 -19.763 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.873 4.276 -22.186 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.190 3.140 -22.398 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.362 5.122 -22.196 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.381 4.569 -20.533 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.546 6.034 -19.937 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.241 6.436 -21.615 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.863 7.237 -21.256 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.816 7.842 -19.578 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.298 9.455 -19.043 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.474 9.311 -20.564 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.359 10.283 -19.599 1.00 0.00 H new ATOM 1231 N ASP A 79 -6.900 1.264 -20.402 1.00 0.00 N ATOM 1232 CA ASP A 79 -8.025 0.515 -19.854 1.00 0.00 C ATOM 1233 C ASP A 79 -7.761 0.123 -18.403 1.00 0.00 C ATOM 1234 O ASP A 79 -8.568 0.406 -17.517 1.00 0.00 O ATOM 1235 CB ASP A 79 -8.289 -0.736 -20.693 1.00 0.00 C ATOM 1236 CG ASP A 79 -8.344 -0.436 -22.178 1.00 0.00 C ATOM 1237 OD1 ASP A 79 -8.944 0.593 -22.553 1.00 0.00 O ATOM 1238 OD2 ASP A 79 -7.789 -1.231 -22.966 1.00 0.00 O ATOM 0 H ASP A 79 -6.529 0.889 -21.275 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.906 1.156 -19.884 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.506 -1.470 -20.502 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.231 -1.187 -20.381 1.00 0.00 H new ATOM 1243 N SER A 80 -6.628 -0.530 -18.169 1.00 0.00 N ATOM 1244 CA SER A 80 -6.260 -0.965 -16.826 1.00 0.00 C ATOM 1245 C SER A 80 -6.154 0.226 -15.879 1.00 0.00 C ATOM 1246 O SER A 80 -6.609 0.168 -14.736 1.00 0.00 O ATOM 1247 CB SER A 80 -4.933 -1.725 -16.859 1.00 0.00 C ATOM 1248 OG SER A 80 -4.875 -2.696 -15.828 1.00 0.00 O ATOM 0 H SER A 80 -5.949 -0.770 -18.891 1.00 0.00 H new ATOM 0 HA SER A 80 -7.042 -1.630 -16.459 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.813 -2.211 -17.827 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.106 -1.024 -16.749 1.00 0.00 H new ATOM 0 HG SER A 80 -4.240 -2.405 -15.140 1.00 0.00 H new ATOM 1254 N PHE A 81 -5.550 1.306 -16.362 1.00 0.00 N ATOM 1255 CA PHE A 81 -5.382 2.512 -15.560 1.00 0.00 C ATOM 1256 C PHE A 81 -6.708 2.940 -14.937 1.00 0.00 C ATOM 1257 O PHE A 81 -6.837 3.015 -13.715 1.00 0.00 O ATOM 1258 CB PHE A 81 -4.818 3.647 -16.417 1.00 0.00 C ATOM 1259 CG PHE A 81 -5.052 5.011 -15.835 1.00 0.00 C ATOM 1260 CD1 PHE A 81 -4.272 5.476 -14.788 1.00 0.00 C ATOM 1261 CD2 PHE A 81 -6.053 5.830 -16.334 1.00 0.00 C ATOM 1262 CE1 PHE A 81 -4.485 6.731 -14.250 1.00 0.00 C ATOM 1263 CE2 PHE A 81 -6.270 7.086 -15.801 1.00 0.00 C ATOM 1264 CZ PHE A 81 -5.486 7.537 -14.757 1.00 0.00 C ATOM 0 H PHE A 81 -5.168 1.371 -17.306 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.679 2.289 -14.758 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.746 3.495 -16.547 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.269 3.602 -17.408 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.488 4.850 -14.388 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -6.670 5.482 -17.149 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.870 7.081 -13.434 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.052 7.715 -16.200 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.655 8.518 -14.338 1.00 0.00 H new ATOM 1274 N HIS A 82 -7.690 3.221 -15.787 1.00 0.00 N ATOM 1275 CA HIS A 82 -9.007 3.641 -15.322 1.00 0.00 C ATOM 1276 C HIS A 82 -9.700 2.514 -14.563 1.00 0.00 C ATOM 1277 O HIS A 82 -10.288 2.736 -13.504 1.00 0.00 O ATOM 1278 CB HIS A 82 -9.871 4.084 -16.503 1.00 0.00 C ATOM 1279 CG HIS A 82 -9.754 5.543 -16.817 1.00 0.00 C ATOM 1280 ND1 HIS A 82 -9.054 6.026 -17.903 1.00 0.00 N ATOM 1281 CD2 HIS A 82 -10.256 6.629 -16.183 1.00 0.00 C ATOM 1282 CE1 HIS A 82 -9.127 7.345 -17.921 1.00 0.00 C ATOM 1283 NE2 HIS A 82 -9.852 7.736 -16.888 1.00 0.00 N ATOM 0 H HIS A 82 -7.599 3.166 -16.801 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.874 4.484 -14.643 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.590 3.508 -17.384 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -10.914 3.850 -16.288 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -10.862 6.625 -15.289 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.672 7.993 -18.655 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -10.075 8.703 -16.652 1.00 0.00 H new ATOM 1291 N ARG A 83 -9.629 1.306 -15.111 1.00 0.00 N ATOM 1292 CA ARG A 83 -10.251 0.145 -14.487 1.00 0.00 C ATOM 1293 C ARG A 83 -9.829 0.022 -13.025 1.00 0.00 C ATOM 1294 O ARG A 83 -10.599 -0.439 -12.182 1.00 0.00 O ATOM 1295 CB ARG A 83 -9.878 -1.130 -15.245 1.00 0.00 C ATOM 1296 CG ARG A 83 -10.270 -2.407 -14.520 1.00 0.00 C ATOM 1297 CD ARG A 83 -9.392 -3.576 -14.936 1.00 0.00 C ATOM 1298 NE ARG A 83 -8.007 -3.400 -14.509 1.00 0.00 N ATOM 1299 CZ ARG A 83 -7.143 -4.402 -14.385 1.00 0.00 C ATOM 1300 NH1 ARG A 83 -7.519 -5.644 -14.656 1.00 0.00 N ATOM 1301 NH2 ARG A 83 -5.899 -4.162 -13.991 1.00 0.00 N ATOM 0 H ARG A 83 -9.146 1.106 -15.987 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.332 0.279 -14.526 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.359 -1.115 -16.223 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.802 -1.137 -15.420 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.189 -2.255 -13.444 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.313 -2.641 -14.731 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.789 -4.497 -14.509 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.426 -3.687 -16.020 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.685 -2.456 -14.294 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.474 -5.833 -14.961 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.853 -6.411 -14.560 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.605 -3.208 -13.783 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.237 -4.932 -13.896 1.00 0.00 H new ATOM 1315 N HIS A 84 -8.601 0.437 -12.733 1.00 0.00 N ATOM 1316 CA HIS A 84 -8.076 0.373 -11.373 1.00 0.00 C ATOM 1317 C HIS A 84 -8.376 1.662 -10.614 1.00 0.00 C ATOM 1318 O HIS A 84 -9.001 1.639 -9.553 1.00 0.00 O ATOM 1319 CB HIS A 84 -6.568 0.122 -11.397 1.00 0.00 C ATOM 1320 CG HIS A 84 -5.877 0.501 -10.124 1.00 0.00 C ATOM 1321 ND1 HIS A 84 -5.376 -0.426 -9.234 1.00 0.00 N ATOM 1322 CD2 HIS A 84 -5.603 1.716 -9.593 1.00 0.00 C ATOM 1323 CE1 HIS A 84 -4.826 0.202 -8.210 1.00 0.00 C ATOM 1324 NE2 HIS A 84 -4.950 1.503 -8.404 1.00 0.00 N ATOM 0 H HIS A 84 -7.951 0.821 -13.419 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.567 -0.454 -10.859 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -6.387 -0.934 -11.598 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -6.128 0.684 -12.221 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -5.423 -1.438 -9.349 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.852 2.674 -10.024 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -4.355 -0.268 -7.359 1.00 0.00 H new ATOM 1332 N VAL A 85 -7.927 2.786 -11.164 1.00 0.00 N ATOM 1333 CA VAL A 85 -8.148 4.084 -10.539 1.00 0.00 C ATOM 1334 C VAL A 85 -9.607 4.257 -10.131 1.00 0.00 C ATOM 1335 O VAL A 85 -9.906 4.651 -9.004 1.00 0.00 O ATOM 1336 CB VAL A 85 -7.751 5.236 -11.482 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -7.827 6.571 -10.756 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -6.357 5.005 -12.045 1.00 0.00 C ATOM 0 H VAL A 85 -7.408 2.823 -12.041 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.518 4.118 -9.650 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.455 5.262 -12.314 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.543 7.373 -11.438 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.846 6.737 -10.405 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.147 6.561 -9.904 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.092 5.828 -12.709 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.638 4.953 -11.227 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.340 4.069 -12.603 1.00 0.00 H new ATOM 1348 N THR A 86 -10.514 3.958 -11.056 1.00 0.00 N ATOM 1349 CA THR A 86 -11.942 4.080 -10.794 1.00 0.00 C ATOM 1350 C THR A 86 -12.309 3.463 -9.450 1.00 0.00 C ATOM 1351 O THR A 86 -13.251 3.902 -8.790 1.00 0.00 O ATOM 1352 CB THR A 86 -12.776 3.406 -11.900 1.00 0.00 C ATOM 1353 OG1 THR A 86 -14.050 4.050 -12.014 1.00 0.00 O ATOM 1354 CG2 THR A 86 -12.974 1.927 -11.604 1.00 0.00 C ATOM 0 H THR A 86 -10.284 3.629 -11.994 1.00 0.00 H new ATOM 0 HA THR A 86 -12.170 5.146 -10.776 1.00 0.00 H new ATOM 0 HB THR A 86 -12.235 3.502 -12.842 1.00 0.00 H new ATOM 0 HG1 THR A 86 -14.574 3.617 -12.720 1.00 0.00 H new ATOM 0 HG21 THR A 86 -13.566 1.473 -12.399 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.003 1.434 -11.547 1.00 0.00 H new ATOM 0 HG23 THR A 86 -13.495 1.813 -10.653 1.00 0.00 H new ATOM 1362 N SER A 87 -11.559 2.442 -9.048 1.00 0.00 N ATOM 1363 CA SER A 87 -11.808 1.762 -7.782 1.00 0.00 C ATOM 1364 C SER A 87 -10.922 2.329 -6.677 1.00 0.00 C ATOM 1365 O SER A 87 -11.386 2.597 -5.569 1.00 0.00 O ATOM 1366 CB SER A 87 -11.560 0.259 -7.929 1.00 0.00 C ATOM 1367 OG SER A 87 -12.645 -0.375 -8.585 1.00 0.00 O ATOM 0 H SER A 87 -10.774 2.067 -9.581 1.00 0.00 H new ATOM 0 HA SER A 87 -12.850 1.927 -7.508 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.642 0.092 -8.493 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.415 -0.187 -6.945 1.00 0.00 H new ATOM 0 HG SER A 87 -12.462 -1.334 -8.668 1.00 0.00 H new ATOM 1373 N CYS A 88 -9.642 2.510 -6.988 1.00 0.00 N ATOM 1374 CA CYS A 88 -8.689 3.044 -6.023 1.00 0.00 C ATOM 1375 C CYS A 88 -9.174 4.377 -5.461 1.00 0.00 C ATOM 1376 O CYS A 88 -8.701 4.834 -4.420 1.00 0.00 O ATOM 1377 CB CYS A 88 -7.317 3.223 -6.676 1.00 0.00 C ATOM 1378 SG CYS A 88 -5.925 3.191 -5.502 1.00 0.00 S ATOM 0 H CYS A 88 -9.242 2.294 -7.901 1.00 0.00 H new ATOM 0 HA CYS A 88 -8.604 2.332 -5.202 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -7.173 2.435 -7.415 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -7.303 4.171 -7.214 1.00 0.00 H new ATOM 0 HG CYS A 88 -4.809 3.059 -6.156 1.00 0.00 H new ATOM 1383 N THR A 89 -10.123 4.997 -6.156 1.00 0.00 N ATOM 1384 CA THR A 89 -10.672 6.277 -5.727 1.00 0.00 C ATOM 1385 C THR A 89 -11.891 6.081 -4.834 1.00 0.00 C ATOM 1386 O THR A 89 -11.982 6.663 -3.753 1.00 0.00 O ATOM 1387 CB THR A 89 -11.068 7.150 -6.933 1.00 0.00 C ATOM 1388 OG1 THR A 89 -10.082 7.036 -7.966 1.00 0.00 O ATOM 1389 CG2 THR A 89 -11.211 8.608 -6.521 1.00 0.00 C ATOM 0 H THR A 89 -10.527 4.633 -7.019 1.00 0.00 H new ATOM 0 HA THR A 89 -9.889 6.783 -5.162 1.00 0.00 H new ATOM 0 HB THR A 89 -12.029 6.798 -7.308 1.00 0.00 H new ATOM 0 HG1 THR A 89 -10.146 6.152 -8.383 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.491 9.205 -7.389 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.982 8.696 -5.756 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.262 8.968 -6.123 1.00 0.00 H new ATOM 1397 N LYS A 90 -12.828 5.257 -5.292 1.00 0.00 N ATOM 1398 CA LYS A 90 -14.042 4.981 -4.534 1.00 0.00 C ATOM 1399 C LYS A 90 -13.751 4.939 -3.037 1.00 0.00 C ATOM 1400 O LYS A 90 -14.283 5.740 -2.269 1.00 0.00 O ATOM 1401 CB LYS A 90 -14.658 3.654 -4.982 1.00 0.00 C ATOM 1402 CG LYS A 90 -15.611 3.792 -6.157 1.00 0.00 C ATOM 1403 CD LYS A 90 -16.064 2.435 -6.670 1.00 0.00 C ATOM 1404 CE LYS A 90 -17.233 1.895 -5.861 1.00 0.00 C ATOM 1405 NZ LYS A 90 -17.249 0.406 -5.834 1.00 0.00 N ATOM 0 H LYS A 90 -12.769 4.769 -6.185 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.751 5.786 -4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.858 2.965 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -15.192 3.209 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -16.480 4.376 -5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -15.121 4.341 -6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.353 2.519 -7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.233 1.732 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -17.176 2.276 -4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -18.168 2.260 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.061 0.078 -5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -17.329 0.042 -6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -16.368 0.057 -5.405 1.00 0.00 H new ATOM 1419 N SER A 91 -12.903 4.000 -2.630 1.00 0.00 N ATOM 1420 CA SER A 91 -12.543 3.852 -1.225 1.00 0.00 C ATOM 1421 C SER A 91 -11.984 5.157 -0.667 1.00 0.00 C ATOM 1422 O SER A 91 -12.419 5.634 0.382 1.00 0.00 O ATOM 1423 CB SER A 91 -11.517 2.730 -1.054 1.00 0.00 C ATOM 1424 OG SER A 91 -12.087 1.467 -1.352 1.00 0.00 O ATOM 0 H SER A 91 -12.452 3.330 -3.254 1.00 0.00 H new ATOM 0 HA SER A 91 -13.446 3.597 -0.670 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.664 2.911 -1.708 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.140 2.730 -0.031 1.00 0.00 H new ATOM 0 HG SER A 91 -11.410 0.767 -1.237 1.00 0.00 H new ATOM 1430 N TYR A 92 -11.018 5.730 -1.375 1.00 0.00 N ATOM 1431 CA TYR A 92 -10.396 6.979 -0.951 1.00 0.00 C ATOM 1432 C TYR A 92 -11.453 8.027 -0.615 1.00 0.00 C ATOM 1433 O TYR A 92 -11.510 8.529 0.507 1.00 0.00 O ATOM 1434 CB TYR A 92 -9.467 7.508 -2.044 1.00 0.00 C ATOM 1435 CG TYR A 92 -8.807 8.823 -1.694 1.00 0.00 C ATOM 1436 CD1 TYR A 92 -9.554 9.989 -1.582 1.00 0.00 C ATOM 1437 CD2 TYR A 92 -7.437 8.899 -1.478 1.00 0.00 C ATOM 1438 CE1 TYR A 92 -8.956 11.193 -1.263 1.00 0.00 C ATOM 1439 CE2 TYR A 92 -6.830 10.098 -1.157 1.00 0.00 C ATOM 1440 CZ TYR A 92 -7.594 11.242 -1.051 1.00 0.00 C ATOM 1441 OH TYR A 92 -6.993 12.438 -0.733 1.00 0.00 O ATOM 0 H TYR A 92 -10.648 5.349 -2.246 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.811 6.777 -0.053 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.695 6.765 -2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.037 7.631 -2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.621 9.954 -1.747 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.836 8.006 -1.562 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.551 12.090 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.764 10.139 -0.990 1.00 0.00 H new ATOM 0 HH TYR A 92 -6.030 12.299 -0.615 1.00 0.00 H new ATOM 1451 N GLU A 93 -12.289 8.351 -1.597 1.00 0.00 N ATOM 1452 CA GLU A 93 -13.344 9.339 -1.407 1.00 0.00 C ATOM 1453 C GLU A 93 -14.048 9.132 -0.069 1.00 0.00 C ATOM 1454 O GLU A 93 -14.286 10.084 0.673 1.00 0.00 O ATOM 1455 CB GLU A 93 -14.360 9.260 -2.548 1.00 0.00 C ATOM 1456 CG GLU A 93 -13.954 10.050 -3.781 1.00 0.00 C ATOM 1457 CD GLU A 93 -15.140 10.440 -4.641 1.00 0.00 C ATOM 1458 OE1 GLU A 93 -15.509 9.651 -5.536 1.00 0.00 O ATOM 1459 OE2 GLU A 93 -15.700 11.534 -4.418 1.00 0.00 O ATOM 0 H GLU A 93 -12.256 7.944 -2.532 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.885 10.328 -1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.501 8.216 -2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.323 9.627 -2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.422 10.950 -3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.259 9.457 -4.375 1.00 0.00 H new