USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 418 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 39 ASN : amide:sc= 2.39 K(o=3.2,f=-8.2!) USER MOD Set 1.2: A 42 THR OG1 : rot -160:sc= 0.849 USER MOD Set 2.1: A 32 SER OG : rot -70:sc= -0.422! USER MOD Set 2.2: A 55 LYS NZ :NH3+ 173:sc= 1.46 (180deg=0.65) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -140:sc= 1.31 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 13 ASN : amide:sc= -0.88 K(o=-0.88,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 17 TYR OH : rot 30:sc= -0.053 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -3.11! C(o=-3.1!,f=-6.7!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -130:sc= -0.395 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.745 K(o=-0.75,f=-0.005) USER MOD Single : A 59 ASN : amide:sc= 0.812 K(o=0.81,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 8 -5.974 -5.123 12.392 1.00 0.00 N ATOM 112 CA LYS A 8 -5.400 -3.999 11.670 1.00 0.00 C ATOM 113 C LYS A 8 -4.698 -4.435 10.387 1.00 0.00 C ATOM 114 O LYS A 8 -4.304 -3.581 9.580 1.00 0.00 O ATOM 115 CB LYS A 8 -4.423 -3.232 12.575 1.00 0.00 C ATOM 116 CG LYS A 8 -3.247 -4.069 13.060 1.00 0.00 C ATOM 117 CD LYS A 8 -2.321 -3.277 13.964 1.00 0.00 C ATOM 118 CE LYS A 8 -1.171 -4.142 14.438 1.00 0.00 C ATOM 119 NZ LYS A 8 -0.276 -3.431 15.370 1.00 0.00 N ATOM 0 HA LYS A 8 -6.222 -3.343 11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.042 -2.367 12.032 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.966 -2.851 13.440 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.620 -4.941 13.597 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.687 -4.439 12.201 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.934 -2.410 13.428 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.877 -2.899 14.822 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.567 -5.032 14.928 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.597 -4.482 13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.494 -4.066 15.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.125 -2.596 14.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.815 -3.129 16.207 1.00 0.00 H new ATOM 133 N TYR A 9 -4.511 -5.760 10.227 1.00 0.00 N ATOM 134 CA TYR A 9 -3.854 -6.351 9.092 1.00 0.00 C ATOM 135 C TYR A 9 -2.387 -5.882 9.095 1.00 0.00 C ATOM 136 O TYR A 9 -1.852 -5.502 10.154 1.00 0.00 O ATOM 137 CB TYR A 9 -4.588 -5.959 7.786 1.00 0.00 C ATOM 138 CG TYR A 9 -4.542 -7.026 6.727 1.00 0.00 C ATOM 139 CD1 TYR A 9 -3.579 -8.011 6.767 1.00 0.00 C ATOM 140 CD2 TYR A 9 -5.482 -7.067 5.713 1.00 0.00 C ATOM 141 CE1 TYR A 9 -3.539 -9.002 5.836 1.00 0.00 C ATOM 142 CE2 TYR A 9 -5.457 -8.068 4.767 1.00 0.00 C ATOM 143 CZ TYR A 9 -4.478 -9.036 4.833 1.00 0.00 C ATOM 144 OH TYR A 9 -4.439 -10.046 3.894 1.00 0.00 O ATOM 0 H TYR A 9 -4.828 -6.447 10.911 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.878 -7.439 9.151 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.629 -5.733 8.018 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.144 -5.046 7.390 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.840 -7.996 7.555 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.245 -6.305 5.662 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.771 -9.760 5.885 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.197 -8.094 3.981 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.645 -9.678 3.009 1.00 0.00 H new ATOM 154 N ARG A 10 -1.745 -5.909 7.970 1.00 0.00 N ATOM 155 CA ARG A 10 -0.412 -5.513 7.889 1.00 0.00 C ATOM 156 C ARG A 10 -0.312 -4.496 6.780 1.00 0.00 C ATOM 157 O ARG A 10 -0.989 -4.610 5.741 1.00 0.00 O ATOM 158 CB ARG A 10 0.572 -6.726 7.746 1.00 0.00 C ATOM 159 CG ARG A 10 0.646 -7.434 6.388 1.00 0.00 C ATOM 160 CD ARG A 10 1.473 -6.624 5.408 1.00 0.00 C ATOM 161 NE ARG A 10 1.626 -7.246 4.109 1.00 0.00 N ATOM 162 CZ ARG A 10 1.858 -6.572 2.987 1.00 0.00 C ATOM 163 NH1 ARG A 10 1.578 -5.254 2.911 1.00 0.00 N ATOM 164 NH2 ARG A 10 2.291 -7.212 1.931 1.00 0.00 N ATOM 0 H ARG A 10 -2.152 -6.212 7.085 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.092 -5.048 8.822 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.573 -6.375 7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.299 -7.468 8.496 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.085 -8.424 6.511 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.359 -7.578 5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.009 -5.646 5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.461 -6.454 5.836 1.00 0.00 H new ATOM 0 HE ARG A 10 1.551 -8.262 4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.186 -4.769 3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.759 -4.743 2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.447 -8.219 1.974 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.472 -6.704 1.065 1.00 0.00 H new ATOM 178 N THR A 11 0.474 -3.543 6.984 1.00 0.00 N ATOM 179 CA THR A 11 0.579 -2.438 6.097 1.00 0.00 C ATOM 180 C THR A 11 1.797 -2.491 5.172 1.00 0.00 C ATOM 181 O THR A 11 2.846 -3.068 5.503 1.00 0.00 O ATOM 182 CB THR A 11 0.581 -1.137 6.913 1.00 0.00 C ATOM 183 OG1 THR A 11 1.581 -1.246 7.943 1.00 0.00 O ATOM 184 CG2 THR A 11 -0.771 -0.878 7.556 1.00 0.00 C ATOM 0 H THR A 11 1.093 -3.486 7.793 1.00 0.00 H new ATOM 0 HA THR A 11 -0.287 -2.480 5.437 1.00 0.00 H new ATOM 0 HB THR A 11 0.798 -0.306 6.242 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.596 -0.422 8.473 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.731 0.051 8.125 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.533 -0.796 6.781 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.020 -1.702 8.224 1.00 0.00 H new ATOM 192 N PRO A 12 1.634 -1.952 3.954 1.00 0.00 N ATOM 193 CA PRO A 12 2.721 -1.767 3.021 1.00 0.00 C ATOM 194 C PRO A 12 3.489 -0.492 3.364 1.00 0.00 C ATOM 195 O PRO A 12 2.948 0.618 3.316 1.00 0.00 O ATOM 196 CB PRO A 12 2.007 -1.605 1.683 1.00 0.00 C ATOM 197 CG PRO A 12 0.717 -0.961 2.036 1.00 0.00 C ATOM 198 CD PRO A 12 0.344 -1.484 3.388 1.00 0.00 C ATOM 0 HA PRO A 12 3.443 -2.584 3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.585 -0.988 0.995 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.852 -2.567 1.195 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.816 0.124 2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.051 -1.200 1.301 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.107 -0.708 4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.380 -2.296 3.317 1.00 0.00 H new ATOM 206 N ASN A 13 4.710 -0.641 3.734 1.00 0.00 N ATOM 207 CA ASN A 13 5.502 0.516 4.075 1.00 0.00 C ATOM 208 C ASN A 13 6.048 1.101 2.802 1.00 0.00 C ATOM 209 O ASN A 13 6.695 0.408 2.015 1.00 0.00 O ATOM 210 CB ASN A 13 6.640 0.175 5.067 1.00 0.00 C ATOM 211 CG ASN A 13 6.187 -0.257 6.504 1.00 0.00 C ATOM 212 OD1 ASN A 13 6.897 0.019 7.467 1.00 0.00 O ATOM 213 ND2 ASN A 13 5.058 -0.975 6.680 1.00 0.00 N ATOM 0 H ASN A 13 5.191 -1.537 3.812 1.00 0.00 H new ATOM 0 HA ASN A 13 4.870 1.244 4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.240 -0.628 4.639 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.290 1.045 5.158 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.794 -1.289 7.614 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.469 -1.204 5.879 1.00 0.00 H new ATOM 220 N CYS A 14 5.780 2.363 2.574 1.00 0.00 N ATOM 221 CA CYS A 14 6.205 3.022 1.377 1.00 0.00 C ATOM 222 C CYS A 14 7.668 3.458 1.432 1.00 0.00 C ATOM 223 O CYS A 14 8.124 4.257 0.620 1.00 0.00 O ATOM 224 CB CYS A 14 5.257 4.165 1.040 1.00 0.00 C ATOM 225 SG CYS A 14 5.023 5.445 2.317 1.00 0.00 S ATOM 0 H CYS A 14 5.260 2.958 3.218 1.00 0.00 H new ATOM 0 HA CYS A 14 6.157 2.301 0.561 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.620 4.651 0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.282 3.739 0.804 1.00 0.00 H new ATOM 230 N SER A 15 8.413 2.878 2.351 1.00 0.00 N ATOM 231 CA SER A 15 9.832 3.096 2.434 1.00 0.00 C ATOM 232 C SER A 15 10.513 2.314 1.291 1.00 0.00 C ATOM 233 O SER A 15 11.648 2.602 0.896 1.00 0.00 O ATOM 234 CB SER A 15 10.340 2.630 3.800 1.00 0.00 C ATOM 235 OG SER A 15 9.558 3.210 4.849 1.00 0.00 O ATOM 0 H SER A 15 8.046 2.243 3.059 1.00 0.00 H new ATOM 0 HA SER A 15 10.067 4.155 2.330 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.292 1.543 3.861 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.386 2.910 3.921 1.00 0.00 H new ATOM 0 HG SER A 15 9.894 2.901 5.716 1.00 0.00 H new ATOM 241 N GLN A 16 9.782 1.338 0.739 1.00 0.00 N ATOM 242 CA GLN A 16 10.264 0.544 -0.396 1.00 0.00 C ATOM 243 C GLN A 16 9.621 1.026 -1.682 1.00 0.00 C ATOM 244 O GLN A 16 9.587 0.336 -2.702 1.00 0.00 O ATOM 245 CB GLN A 16 10.019 -0.944 -0.188 1.00 0.00 C ATOM 246 CG GLN A 16 8.492 -1.333 -0.111 1.00 0.00 C ATOM 247 CD GLN A 16 8.296 -2.845 0.064 1.00 0.00 C ATOM 248 OE1 GLN A 16 9.150 -3.509 0.655 1.00 0.00 O ATOM 249 NE2 GLN A 16 7.190 -3.414 -0.405 1.00 0.00 N ATOM 0 H GLN A 16 8.850 1.079 1.063 1.00 0.00 H new ATOM 0 HA GLN A 16 11.343 0.684 -0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.485 -1.497 -1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.511 -1.259 0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.025 -0.807 0.722 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.987 -1.004 -1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.493 -2.850 -0.892 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.038 -4.415 -0.278 1.00 0.00 H new ATOM 258 N TYR A 17 9.184 2.203 -1.623 1.00 0.00 N ATOM 259 CA TYR A 17 8.528 2.849 -2.731 1.00 0.00 C ATOM 260 C TYR A 17 9.390 3.944 -3.278 1.00 0.00 C ATOM 261 O TYR A 17 9.635 4.944 -2.603 1.00 0.00 O ATOM 262 CB TYR A 17 7.147 3.409 -2.341 1.00 0.00 C ATOM 263 CG TYR A 17 6.034 2.386 -2.342 1.00 0.00 C ATOM 264 CD1 TYR A 17 6.311 1.038 -2.411 1.00 0.00 C ATOM 265 CD2 TYR A 17 4.705 2.776 -2.314 1.00 0.00 C ATOM 266 CE1 TYR A 17 5.322 0.106 -2.442 1.00 0.00 C ATOM 267 CE2 TYR A 17 3.691 1.843 -2.351 1.00 0.00 C ATOM 268 CZ TYR A 17 4.004 0.504 -2.414 1.00 0.00 C ATOM 269 OH TYR A 17 2.995 -0.431 -2.468 1.00 0.00 O ATOM 0 H TYR A 17 9.260 2.788 -0.791 1.00 0.00 H new ATOM 0 HA TYR A 17 8.370 2.092 -3.500 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.216 3.852 -1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.886 4.212 -3.031 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.341 0.713 -2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.460 3.827 -2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.569 -0.944 -2.488 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.659 2.160 -2.331 1.00 0.00 H new ATOM 0 HH TYR A 17 3.301 -1.267 -2.058 1.00 0.00 H new ATOM 279 N ARG A 18 9.895 3.740 -4.454 1.00 0.00 N ATOM 280 CA ARG A 18 10.664 4.747 -5.107 1.00 0.00 C ATOM 281 C ARG A 18 10.084 4.999 -6.477 1.00 0.00 C ATOM 282 O ARG A 18 10.574 4.505 -7.492 1.00 0.00 O ATOM 283 CB ARG A 18 12.153 4.380 -5.180 1.00 0.00 C ATOM 284 CG ARG A 18 13.065 5.481 -4.664 1.00 0.00 C ATOM 285 CD ARG A 18 12.983 6.755 -5.506 1.00 0.00 C ATOM 286 NE ARG A 18 13.675 7.875 -4.854 1.00 0.00 N ATOM 287 CZ ARG A 18 14.022 9.038 -5.423 1.00 0.00 C ATOM 288 NH1 ARG A 18 13.898 9.216 -6.738 1.00 0.00 N ATOM 289 NH2 ARG A 18 14.514 10.011 -4.668 1.00 0.00 N ATOM 0 H ARG A 18 9.786 2.876 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 18 10.610 5.664 -4.521 1.00 0.00 H new ATOM 0 HB2 ARG A 18 12.326 3.472 -4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.415 4.154 -6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.800 5.714 -3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.094 5.121 -4.655 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.424 6.574 -6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.938 7.017 -5.670 1.00 0.00 H new ATOM 0 HE ARG A 18 13.915 7.756 -3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.536 8.463 -7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.165 10.105 -7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.625 9.871 -3.664 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.781 10.900 -5.091 1.00 0.00 H new ATOM 303 N LEU A 19 8.998 5.694 -6.487 1.00 0.00 N ATOM 304 CA LEU A 19 8.304 6.036 -7.672 1.00 0.00 C ATOM 305 C LEU A 19 8.636 7.456 -8.042 1.00 0.00 C ATOM 306 O LEU A 19 9.347 8.132 -7.307 1.00 0.00 O ATOM 307 CB LEU A 19 6.795 5.924 -7.417 1.00 0.00 C ATOM 308 CG LEU A 19 6.209 4.522 -7.341 1.00 0.00 C ATOM 309 CD1 LEU A 19 6.600 3.660 -8.532 1.00 0.00 C ATOM 310 CD2 LEU A 19 6.464 3.823 -6.017 1.00 0.00 C ATOM 0 H LEU A 19 8.557 6.050 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 19 8.595 5.365 -8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.571 6.436 -6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.277 6.465 -8.209 1.00 0.00 H new ATOM 0 HG LEU A 19 5.129 4.662 -7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.155 2.671 -8.427 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.240 4.124 -9.450 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.685 3.567 -8.573 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.017 2.829 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.538 3.734 -5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.021 4.403 -5.208 1.00 0.00 H new ATOM 322 N PRO A 20 8.178 7.949 -9.198 1.00 0.00 N ATOM 323 CA PRO A 20 8.234 9.382 -9.499 1.00 0.00 C ATOM 324 C PRO A 20 7.078 10.103 -8.778 1.00 0.00 C ATOM 325 O PRO A 20 6.778 11.276 -9.032 1.00 0.00 O ATOM 326 CB PRO A 20 8.028 9.429 -11.009 1.00 0.00 C ATOM 327 CG PRO A 20 7.201 8.230 -11.311 1.00 0.00 C ATOM 328 CD PRO A 20 7.655 7.165 -10.351 1.00 0.00 C ATOM 0 HA PRO A 20 9.159 9.862 -9.181 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.523 10.346 -11.312 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.979 9.399 -11.540 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.140 8.445 -11.183 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.339 7.910 -12.344 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.834 6.513 -10.055 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.425 6.530 -10.789 1.00 0.00 H new ATOM 336 N GLY A 21 6.433 9.355 -7.905 1.00 0.00 N ATOM 337 CA GLY A 21 5.336 9.804 -7.147 1.00 0.00 C ATOM 338 C GLY A 21 4.143 8.975 -7.489 1.00 0.00 C ATOM 339 O GLY A 21 3.789 8.024 -6.786 1.00 0.00 O ATOM 0 H GLY A 21 6.686 8.386 -7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.556 9.727 -6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.138 10.855 -7.356 1.00 0.00 H new ATOM 343 N CYS A 22 3.586 9.270 -8.603 1.00 0.00 N ATOM 344 CA CYS A 22 2.390 8.634 -9.067 1.00 0.00 C ATOM 345 C CYS A 22 2.807 7.512 -10.042 1.00 0.00 C ATOM 346 O CYS A 22 4.004 7.404 -10.371 1.00 0.00 O ATOM 347 CB CYS A 22 1.500 9.709 -9.746 1.00 0.00 C ATOM 348 SG CYS A 22 1.068 11.169 -8.686 1.00 0.00 S ATOM 0 H CYS A 22 3.950 9.977 -9.241 1.00 0.00 H new ATOM 0 HA CYS A 22 1.812 8.188 -8.257 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.011 10.068 -10.639 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.576 9.235 -10.077 1.00 0.00 H new ATOM 353 N PRO A 23 1.892 6.635 -10.497 1.00 0.00 N ATOM 354 CA PRO A 23 2.263 5.559 -11.387 1.00 0.00 C ATOM 355 C PRO A 23 2.129 5.959 -12.860 1.00 0.00 C ATOM 356 O PRO A 23 1.420 6.918 -13.197 1.00 0.00 O ATOM 357 CB PRO A 23 1.221 4.503 -11.044 1.00 0.00 C ATOM 358 CG PRO A 23 -0.013 5.304 -10.873 1.00 0.00 C ATOM 359 CD PRO A 23 0.429 6.589 -10.198 1.00 0.00 C ATOM 0 HA PRO A 23 3.300 5.244 -11.266 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.117 3.764 -11.839 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.480 3.959 -10.135 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.485 5.508 -11.834 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.745 4.773 -10.265 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.093 7.457 -10.600 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.236 6.569 -9.125 1.00 0.00 H new ATOM 367 N ARG A 24 2.844 5.271 -13.723 1.00 0.00 N ATOM 368 CA ARG A 24 2.629 5.424 -15.146 1.00 0.00 C ATOM 369 C ARG A 24 1.267 4.877 -15.446 1.00 0.00 C ATOM 370 O ARG A 24 0.381 5.599 -15.882 1.00 0.00 O ATOM 371 CB ARG A 24 3.691 4.701 -15.983 1.00 0.00 C ATOM 372 CG ARG A 24 4.987 5.466 -16.189 1.00 0.00 C ATOM 373 CD ARG A 24 5.765 5.691 -14.912 1.00 0.00 C ATOM 374 NE ARG A 24 6.970 6.507 -15.132 1.00 0.00 N ATOM 375 CZ ARG A 24 8.114 6.408 -14.439 1.00 0.00 C ATOM 376 NH1 ARG A 24 8.264 5.460 -13.517 1.00 0.00 N ATOM 377 NH2 ARG A 24 9.115 7.248 -14.688 1.00 0.00 N ATOM 0 H ARG A 24 3.574 4.605 -13.468 1.00 0.00 H new ATOM 0 HA ARG A 24 2.705 6.478 -15.411 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.922 3.750 -15.504 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.265 4.471 -16.960 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.613 4.921 -16.895 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.762 6.431 -16.642 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.124 6.182 -14.180 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.052 4.728 -14.489 1.00 0.00 H new ATOM 0 HE ARG A 24 6.932 7.206 -15.874 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.506 4.803 -13.333 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.137 5.391 -12.994 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.012 7.966 -15.405 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.986 7.174 -14.162 1.00 0.00 H new ATOM 391 N HIS A 25 1.109 3.592 -15.196 1.00 0.00 N ATOM 392 CA HIS A 25 -0.194 2.948 -15.239 1.00 0.00 C ATOM 393 C HIS A 25 -0.083 1.527 -14.701 1.00 0.00 C ATOM 394 O HIS A 25 0.238 0.607 -15.445 1.00 0.00 O ATOM 395 CB HIS A 25 -0.798 2.945 -16.659 1.00 0.00 C ATOM 396 CG HIS A 25 -2.243 2.548 -16.702 1.00 0.00 C ATOM 397 ND1 HIS A 25 -3.269 3.457 -16.623 1.00 0.00 N ATOM 398 CD2 HIS A 25 -2.827 1.339 -16.801 1.00 0.00 C ATOM 399 CE1 HIS A 25 -4.416 2.826 -16.666 1.00 0.00 C ATOM 400 NE2 HIS A 25 -4.176 1.540 -16.775 1.00 0.00 N ATOM 0 H HIS A 25 1.877 2.964 -14.958 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.871 3.525 -14.609 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.691 3.940 -17.091 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.225 2.262 -17.286 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -2.322 0.388 -16.885 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -5.392 3.285 -16.620 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.885 0.808 -16.831 1.00 0.00 H new ATOM 409 N PHE A 26 -0.312 1.366 -13.412 1.00 0.00 N ATOM 410 CA PHE A 26 -0.215 0.071 -12.736 1.00 0.00 C ATOM 411 C PHE A 26 -0.720 0.186 -11.314 1.00 0.00 C ATOM 412 O PHE A 26 -0.579 1.244 -10.697 1.00 0.00 O ATOM 413 CB PHE A 26 1.246 -0.477 -12.733 1.00 0.00 C ATOM 414 CG PHE A 26 2.291 0.442 -12.120 1.00 0.00 C ATOM 415 CD1 PHE A 26 2.561 0.411 -10.758 1.00 0.00 C ATOM 416 CD2 PHE A 26 3.000 1.326 -12.911 1.00 0.00 C ATOM 417 CE1 PHE A 26 3.506 1.234 -10.200 1.00 0.00 C ATOM 418 CE2 PHE A 26 3.951 2.155 -12.360 1.00 0.00 C ATOM 419 CZ PHE A 26 4.204 2.109 -11.001 1.00 0.00 C ATOM 0 H PHE A 26 -0.573 2.133 -12.792 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.835 -0.633 -13.291 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.259 -1.424 -12.193 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.536 -0.693 -13.761 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.016 -0.275 -10.126 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.806 1.367 -13.973 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.701 1.196 -9.138 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.499 2.841 -12.989 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.949 2.760 -10.568 1.00 0.00 H new ATOM 429 N ASN A 27 -1.312 -0.886 -10.800 1.00 0.00 N ATOM 430 CA ASN A 27 -1.754 -0.941 -9.415 1.00 0.00 C ATOM 431 C ASN A 27 -1.578 -2.405 -8.882 1.00 0.00 C ATOM 432 O ASN A 27 -2.508 -3.222 -8.928 1.00 0.00 O ATOM 433 CB ASN A 27 -3.267 -0.357 -9.178 1.00 0.00 C ATOM 434 CG ASN A 27 -3.364 1.159 -9.368 1.00 0.00 C ATOM 435 OD1 ASN A 27 -3.117 1.943 -8.438 1.00 0.00 O ATOM 436 ND2 ASN A 27 -3.754 1.589 -10.547 1.00 0.00 N ATOM 0 H ASN A 27 -1.498 -1.737 -11.330 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.123 -0.269 -8.833 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.952 -0.848 -9.870 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.594 -0.612 -8.170 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.860 2.589 -10.715 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.950 0.922 -11.294 1.00 0.00 H new ATOM 443 N PRO A 28 -0.322 -2.747 -8.497 1.00 0.00 N ATOM 444 CA PRO A 28 0.074 -4.050 -7.899 1.00 0.00 C ATOM 445 C PRO A 28 -0.742 -4.571 -6.720 1.00 0.00 C ATOM 446 O PRO A 28 -1.132 -5.721 -6.717 1.00 0.00 O ATOM 447 CB PRO A 28 1.501 -3.817 -7.430 1.00 0.00 C ATOM 448 CG PRO A 28 2.040 -2.772 -8.339 1.00 0.00 C ATOM 449 CD PRO A 28 0.869 -1.933 -8.792 1.00 0.00 C ATOM 0 HA PRO A 28 -0.080 -4.818 -8.657 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.526 -3.487 -6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.090 -4.732 -7.488 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.779 -2.157 -7.825 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.542 -3.226 -9.193 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.837 -0.981 -8.262 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.936 -1.703 -9.855 1.00 0.00 H new ATOM 457 N VAL A 29 -1.028 -3.746 -5.766 1.00 0.00 N ATOM 458 CA VAL A 29 -1.564 -4.233 -4.504 1.00 0.00 C ATOM 459 C VAL A 29 -3.045 -3.987 -4.348 1.00 0.00 C ATOM 460 O VAL A 29 -3.651 -3.189 -5.065 1.00 0.00 O ATOM 461 CB VAL A 29 -0.776 -3.689 -3.286 1.00 0.00 C ATOM 462 CG1 VAL A 29 0.676 -4.180 -3.327 1.00 0.00 C ATOM 463 CG2 VAL A 29 -0.828 -2.165 -3.210 1.00 0.00 C ATOM 0 H VAL A 29 -0.906 -2.735 -5.820 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.431 -5.315 -4.532 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.253 -4.075 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.217 -3.789 -2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.692 -5.270 -3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.153 -3.830 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.263 -1.825 -2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.393 -1.741 -4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.865 -1.840 -3.119 1.00 0.00 H new ATOM 473 N CYS A 30 -3.614 -4.650 -3.399 1.00 0.00 N ATOM 474 CA CYS A 30 -5.028 -4.659 -3.232 1.00 0.00 C ATOM 475 C CYS A 30 -5.459 -3.865 -2.045 1.00 0.00 C ATOM 476 O CYS A 30 -4.984 -4.050 -0.956 1.00 0.00 O ATOM 477 CB CYS A 30 -5.551 -6.082 -3.106 1.00 0.00 C ATOM 478 SG CYS A 30 -5.387 -7.113 -4.593 1.00 0.00 S ATOM 0 H CYS A 30 -3.106 -5.206 -2.711 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.450 -4.194 -4.123 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.026 -6.572 -2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.604 -6.040 -2.829 1.00 0.00 H new ATOM 483 N GLY A 31 -6.336 -2.990 -2.289 1.00 0.00 N ATOM 484 CA GLY A 31 -6.952 -2.175 -1.282 1.00 0.00 C ATOM 485 C GLY A 31 -7.781 -2.899 -0.271 1.00 0.00 C ATOM 486 O GLY A 31 -8.783 -3.499 -0.639 1.00 0.00 O ATOM 0 H GLY A 31 -6.676 -2.795 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.169 -1.628 -0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.581 -1.435 -1.776 1.00 0.00 H new ATOM 490 N SER A 32 -7.386 -2.858 1.026 1.00 0.00 N ATOM 491 CA SER A 32 -8.282 -3.383 2.040 1.00 0.00 C ATOM 492 C SER A 32 -9.393 -2.349 2.146 1.00 0.00 C ATOM 493 O SER A 32 -10.579 -2.671 2.235 1.00 0.00 O ATOM 494 CB SER A 32 -7.583 -3.562 3.404 1.00 0.00 C ATOM 495 OG SER A 32 -7.185 -2.326 3.935 1.00 0.00 O ATOM 0 H SER A 32 -6.499 -2.485 1.365 1.00 0.00 H new ATOM 0 HA SER A 32 -8.646 -4.374 1.767 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.259 -4.059 4.100 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.713 -4.208 3.288 1.00 0.00 H new ATOM 0 HG SER A 32 -6.446 -1.964 3.403 1.00 0.00 H new ATOM 501 N ASP A 33 -8.954 -1.069 1.983 1.00 0.00 N ATOM 502 CA ASP A 33 -9.791 0.122 2.000 1.00 0.00 C ATOM 503 C ASP A 33 -10.444 0.358 0.637 1.00 0.00 C ATOM 504 O ASP A 33 -10.591 1.495 0.187 1.00 0.00 O ATOM 505 CB ASP A 33 -8.954 1.345 2.432 1.00 0.00 C ATOM 506 CG ASP A 33 -8.428 1.220 3.853 1.00 0.00 C ATOM 507 OD1 ASP A 33 -9.170 1.543 4.804 1.00 0.00 O ATOM 508 OD2 ASP A 33 -7.282 0.765 4.051 1.00 0.00 O ATOM 0 H ASP A 33 -7.969 -0.852 1.832 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.593 -0.027 2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.115 1.467 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.564 2.245 2.352 1.00 0.00 H new ATOM 513 N MET A 34 -10.805 -0.750 -0.011 1.00 0.00 N ATOM 514 CA MET A 34 -11.640 -0.790 -1.224 1.00 0.00 C ATOM 515 C MET A 34 -10.992 -0.218 -2.500 1.00 0.00 C ATOM 516 O MET A 34 -11.682 0.016 -3.487 1.00 0.00 O ATOM 517 CB MET A 34 -12.996 -0.116 -0.953 1.00 0.00 C ATOM 518 CG MET A 34 -13.804 -0.764 0.165 1.00 0.00 C ATOM 519 SD MET A 34 -14.177 -2.503 -0.147 1.00 0.00 S ATOM 520 CE MET A 34 -15.037 -2.929 1.370 1.00 0.00 C ATOM 0 H MET A 34 -10.518 -1.678 0.300 1.00 0.00 H new ATOM 0 HA MET A 34 -11.774 -1.850 -1.441 1.00 0.00 H new ATOM 0 HB2 MET A 34 -12.825 0.931 -0.702 1.00 0.00 H new ATOM 0 HB3 MET A 34 -13.587 -0.132 -1.869 1.00 0.00 H new ATOM 0 HG2 MET A 34 -13.251 -0.679 1.101 1.00 0.00 H new ATOM 0 HG3 MET A 34 -14.737 -0.216 0.295 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.336 -3.977 1.337 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.375 -2.768 2.221 1.00 0.00 H new ATOM 0 HE3 MET A 34 -15.922 -2.302 1.475 1.00 0.00 H new ATOM 530 N SER A 35 -9.690 -0.037 -2.515 1.00 0.00 N ATOM 531 CA SER A 35 -9.033 0.494 -3.703 1.00 0.00 C ATOM 532 C SER A 35 -7.791 -0.310 -4.082 1.00 0.00 C ATOM 533 O SER A 35 -6.878 -0.361 -3.365 1.00 0.00 O ATOM 534 CB SER A 35 -8.640 1.951 -3.468 1.00 0.00 C ATOM 535 OG SER A 35 -9.774 2.724 -3.093 1.00 0.00 O ATOM 0 H SER A 35 -9.067 -0.244 -1.734 1.00 0.00 H new ATOM 0 HA SER A 35 -9.742 0.422 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.881 2.007 -2.687 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.196 2.364 -4.374 1.00 0.00 H new ATOM 0 HG SER A 35 -9.502 3.654 -2.945 1.00 0.00 H new ATOM 541 N THR A 36 -7.809 -0.924 -5.196 1.00 0.00 N ATOM 542 CA THR A 36 -6.634 -1.604 -5.739 1.00 0.00 C ATOM 543 C THR A 36 -5.633 -0.526 -6.247 1.00 0.00 C ATOM 544 O THR A 36 -5.971 0.308 -7.098 1.00 0.00 O ATOM 545 CB THR A 36 -7.060 -2.521 -6.905 1.00 0.00 C ATOM 546 OG1 THR A 36 -8.051 -3.474 -6.438 1.00 0.00 O ATOM 547 CG2 THR A 36 -5.873 -3.267 -7.475 1.00 0.00 C ATOM 0 H THR A 36 -8.636 -0.988 -5.790 1.00 0.00 H new ATOM 0 HA THR A 36 -6.161 -2.214 -4.969 1.00 0.00 H new ATOM 0 HB THR A 36 -7.484 -1.897 -7.692 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.322 -4.054 -7.180 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.204 -3.905 -8.295 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.138 -2.552 -7.845 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.421 -3.882 -6.696 1.00 0.00 H new ATOM 555 N TYR A 37 -4.427 -0.556 -5.689 1.00 0.00 N ATOM 556 CA TYR A 37 -3.436 0.501 -5.842 1.00 0.00 C ATOM 557 C TYR A 37 -2.004 0.010 -5.750 1.00 0.00 C ATOM 558 O TYR A 37 -1.779 -1.159 -5.838 1.00 0.00 O ATOM 559 CB TYR A 37 -3.653 1.622 -4.820 1.00 0.00 C ATOM 560 CG TYR A 37 -4.146 1.280 -3.472 1.00 0.00 C ATOM 561 CD1 TYR A 37 -3.976 0.044 -2.886 1.00 0.00 C ATOM 562 CD2 TYR A 37 -4.809 2.249 -2.786 1.00 0.00 C ATOM 563 CE1 TYR A 37 -4.491 -0.206 -1.649 1.00 0.00 C ATOM 564 CE2 TYR A 37 -5.308 2.038 -1.568 1.00 0.00 C ATOM 565 CZ TYR A 37 -5.171 0.802 -0.979 1.00 0.00 C ATOM 566 OH TYR A 37 -5.734 0.560 0.255 1.00 0.00 O ATOM 0 H TYR A 37 -4.106 -1.330 -5.107 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.584 0.886 -6.851 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.704 2.145 -4.700 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.355 2.332 -5.256 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.433 -0.729 -3.409 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.935 3.220 -3.242 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.371 -1.178 -1.195 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.818 2.834 -1.046 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.665 0.866 0.255 1.00 0.00 H new ATOM 576 N ALA A 38 -1.051 0.984 -5.726 1.00 0.00 N ATOM 577 CA ALA A 38 0.399 0.813 -5.333 1.00 0.00 C ATOM 578 C ALA A 38 1.236 1.879 -5.971 1.00 0.00 C ATOM 579 O ALA A 38 1.447 1.843 -7.178 1.00 0.00 O ATOM 580 CB ALA A 38 1.055 -0.563 -5.664 1.00 0.00 C ATOM 0 H ALA A 38 -1.267 1.946 -5.987 1.00 0.00 H new ATOM 0 HA ALA A 38 0.374 0.883 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.094 -0.560 -5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.513 -1.357 -5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.017 -0.735 -6.740 1.00 0.00 H new ATOM 586 N ASN A 39 1.657 2.844 -5.158 1.00 0.00 N ATOM 587 CA ASN A 39 2.591 3.924 -5.538 1.00 0.00 C ATOM 588 C ASN A 39 2.574 4.986 -4.478 1.00 0.00 C ATOM 589 O ASN A 39 1.929 4.803 -3.442 1.00 0.00 O ATOM 590 CB ASN A 39 2.378 4.532 -6.951 1.00 0.00 C ATOM 591 CG ASN A 39 1.036 5.155 -7.115 1.00 0.00 C ATOM 592 OD1 ASN A 39 0.865 6.316 -6.823 1.00 0.00 O ATOM 593 ND2 ASN A 39 0.077 4.405 -7.590 1.00 0.00 N ATOM 0 H ASN A 39 1.354 2.907 -4.186 1.00 0.00 H new ATOM 0 HA ASN A 39 3.575 3.460 -5.606 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.147 5.282 -7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.505 3.751 -7.701 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.856 4.795 -7.726 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.261 3.430 -7.825 1.00 0.00 H new ATOM 600 N GLU A 40 3.261 6.079 -4.709 1.00 0.00 N ATOM 601 CA GLU A 40 3.386 7.120 -3.717 1.00 0.00 C ATOM 602 C GLU A 40 2.263 8.140 -3.781 1.00 0.00 C ATOM 603 O GLU A 40 2.140 8.966 -2.903 1.00 0.00 O ATOM 604 CB GLU A 40 4.752 7.790 -3.778 1.00 0.00 C ATOM 605 CG GLU A 40 5.895 6.873 -3.388 1.00 0.00 C ATOM 606 CD GLU A 40 7.241 7.532 -3.510 1.00 0.00 C ATOM 607 OE1 GLU A 40 7.581 8.395 -2.657 1.00 0.00 O ATOM 608 OE2 GLU A 40 7.980 7.209 -4.452 1.00 0.00 O ATOM 0 H GLU A 40 3.747 6.272 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 40 3.297 6.628 -2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.922 8.159 -4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.752 8.658 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.752 6.539 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.873 5.984 -4.019 1.00 0.00 H new ATOM 615 N CYS A 41 1.417 8.050 -4.772 1.00 0.00 N ATOM 616 CA CYS A 41 0.286 8.974 -4.852 1.00 0.00 C ATOM 617 C CYS A 41 -0.933 8.212 -4.554 1.00 0.00 C ATOM 618 O CYS A 41 -1.905 8.734 -4.035 1.00 0.00 O ATOM 619 CB CYS A 41 0.114 9.666 -6.200 1.00 0.00 C ATOM 620 SG CYS A 41 1.527 10.665 -6.757 1.00 0.00 S ATOM 0 H CYS A 41 1.474 7.366 -5.527 1.00 0.00 H new ATOM 0 HA CYS A 41 0.480 9.772 -4.135 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.091 8.906 -6.954 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -0.765 10.309 -6.148 1.00 0.00 H new ATOM 625 N THR A 42 -0.901 6.962 -4.875 1.00 0.00 N ATOM 626 CA THR A 42 -1.976 6.179 -4.549 1.00 0.00 C ATOM 627 C THR A 42 -1.794 5.617 -3.140 1.00 0.00 C ATOM 628 O THR A 42 -2.535 6.022 -2.262 1.00 0.00 O ATOM 629 CB THR A 42 -2.344 5.141 -5.604 1.00 0.00 C ATOM 630 OG1 THR A 42 -2.171 5.735 -6.908 1.00 0.00 O ATOM 631 CG2 THR A 42 -3.810 4.827 -5.468 1.00 0.00 C ATOM 0 H THR A 42 -0.136 6.492 -5.358 1.00 0.00 H new ATOM 0 HA THR A 42 -2.861 6.815 -4.539 1.00 0.00 H new ATOM 0 HB THR A 42 -1.727 4.251 -5.482 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.685 5.227 -7.570 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.094 4.085 -6.215 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.007 4.432 -4.471 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.392 5.736 -5.620 1.00 0.00 H new ATOM 639 N LEU A 43 -0.743 4.785 -2.834 1.00 0.00 N ATOM 640 CA LEU A 43 -0.715 4.382 -1.400 1.00 0.00 C ATOM 641 C LEU A 43 -0.043 5.341 -0.583 1.00 0.00 C ATOM 642 O LEU A 43 -0.598 5.810 0.229 1.00 0.00 O ATOM 643 CB LEU A 43 -0.110 3.079 -0.972 1.00 0.00 C ATOM 644 CG LEU A 43 -0.806 1.858 -1.364 1.00 0.00 C ATOM 645 CD1 LEU A 43 0.009 0.634 -1.003 1.00 0.00 C ATOM 646 CD2 LEU A 43 -2.078 1.810 -0.632 1.00 0.00 C ATOM 0 H LEU A 43 -0.015 4.430 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.793 4.290 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.904 3.031 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.027 3.086 0.115 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.966 1.863 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.530 -0.264 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.969 0.671 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.176 0.612 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.621 0.906 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.881 1.805 0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.677 2.684 -0.886 1.00 0.00 H new ATOM 658 N CYS A 44 1.201 5.605 -0.822 1.00 0.00 N ATOM 659 CA CYS A 44 1.983 6.434 0.165 1.00 0.00 C ATOM 660 C CYS A 44 1.344 7.796 0.486 1.00 0.00 C ATOM 661 O CYS A 44 1.463 8.297 1.607 1.00 0.00 O ATOM 662 CB CYS A 44 3.484 6.511 -0.137 1.00 0.00 C ATOM 663 SG CYS A 44 4.539 7.119 1.243 1.00 0.00 S ATOM 0 H CYS A 44 1.720 5.294 -1.643 1.00 0.00 H new ATOM 0 HA CYS A 44 1.918 5.874 1.098 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.830 5.519 -0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.631 7.163 -0.998 1.00 0.00 H new ATOM 668 N MET A 45 0.629 8.338 -0.463 1.00 0.00 N ATOM 669 CA MET A 45 -0.186 9.505 -0.223 1.00 0.00 C ATOM 670 C MET A 45 -1.288 9.080 0.764 1.00 0.00 C ATOM 671 O MET A 45 -1.366 9.588 1.908 1.00 0.00 O ATOM 672 CB MET A 45 -0.751 9.970 -1.567 1.00 0.00 C ATOM 673 CG MET A 45 -1.680 11.171 -1.563 1.00 0.00 C ATOM 674 SD MET A 45 -0.914 12.657 -0.889 1.00 0.00 S ATOM 675 CE MET A 45 -2.272 13.821 -1.041 1.00 0.00 C ATOM 0 H MET A 45 0.593 7.988 -1.420 1.00 0.00 H new ATOM 0 HA MET A 45 0.370 10.338 0.207 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.089 10.197 -2.224 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.287 9.133 -2.014 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.010 11.370 -2.582 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.570 10.932 -0.981 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.960 14.795 -0.665 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.558 13.911 -2.089 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.124 13.464 -0.461 1.00 0.00 H new ATOM 685 N LYS A 46 -2.063 8.070 0.355 1.00 0.00 N ATOM 686 CA LYS A 46 -3.075 7.455 1.178 1.00 0.00 C ATOM 687 C LYS A 46 -2.550 6.982 2.510 1.00 0.00 C ATOM 688 O LYS A 46 -3.185 7.204 3.517 1.00 0.00 O ATOM 689 CB LYS A 46 -3.609 6.213 0.496 1.00 0.00 C ATOM 690 CG LYS A 46 -5.030 6.263 0.049 1.00 0.00 C ATOM 691 CD LYS A 46 -5.276 7.356 -0.979 1.00 0.00 C ATOM 692 CE LYS A 46 -6.711 7.336 -1.466 1.00 0.00 C ATOM 693 NZ LYS A 46 -7.008 8.451 -2.388 1.00 0.00 N ATOM 0 H LYS A 46 -1.993 7.660 -0.576 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.833 8.224 1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.984 6.005 -0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.495 5.372 1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.308 5.299 -0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.674 6.429 0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.051 8.328 -0.541 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.600 7.223 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.908 6.389 -1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.383 7.387 -0.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.001 8.394 -2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.847 9.356 -1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.386 8.389 -3.219 1.00 0.00 H new ATOM 707 N ILE A 47 -1.420 6.325 2.507 1.00 0.00 N ATOM 708 CA ILE A 47 -1.035 5.593 3.620 1.00 0.00 C ATOM 709 C ILE A 47 -0.573 6.505 4.756 1.00 0.00 C ATOM 710 O ILE A 47 -0.801 6.214 5.948 1.00 0.00 O ATOM 711 CB ILE A 47 -0.034 4.426 3.279 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.231 3.196 4.203 1.00 0.00 C ATOM 713 CG2 ILE A 47 1.423 4.892 3.358 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.280 3.311 5.628 1.00 0.00 C ATOM 0 H ILE A 47 -0.765 6.300 1.725 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.921 5.078 3.990 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.258 4.127 2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.297 2.971 4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.258 2.341 3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.085 4.060 3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.585 5.702 2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.638 5.245 4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.078 2.383 6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.354 3.497 5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.225 4.136 6.130 1.00 0.00 H new ATOM 726 N ARG A 48 0.078 7.623 4.384 1.00 0.00 N ATOM 727 CA ARG A 48 0.542 8.541 5.387 1.00 0.00 C ATOM 728 C ARG A 48 -0.636 9.153 6.085 1.00 0.00 C ATOM 729 O ARG A 48 -0.594 9.325 7.299 1.00 0.00 O ATOM 730 CB ARG A 48 1.540 9.580 4.845 1.00 0.00 C ATOM 731 CG ARG A 48 2.881 8.961 4.457 1.00 0.00 C ATOM 732 CD ARG A 48 3.927 9.997 4.066 1.00 0.00 C ATOM 733 NE ARG A 48 3.582 10.750 2.858 1.00 0.00 N ATOM 734 CZ ARG A 48 4.402 11.620 2.241 1.00 0.00 C ATOM 735 NH1 ARG A 48 5.640 11.820 2.687 1.00 0.00 N ATOM 736 NH2 ARG A 48 3.991 12.262 1.161 1.00 0.00 N ATOM 0 H ARG A 48 0.280 7.889 3.420 1.00 0.00 H new ATOM 0 HA ARG A 48 1.121 7.982 6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.107 10.074 3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.704 10.349 5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.257 8.371 5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.730 8.274 3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.063 10.694 4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.883 9.496 3.912 1.00 0.00 H new ATOM 0 HE ARG A 48 2.656 10.605 2.457 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.976 11.311 3.505 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.253 12.482 2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.053 12.098 0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.612 12.922 0.693 1.00 0.00 H new ATOM 750 N GLU A 49 -1.690 9.447 5.303 1.00 0.00 N ATOM 751 CA GLU A 49 -3.044 9.805 5.817 1.00 0.00 C ATOM 752 C GLU A 49 -3.907 10.325 4.704 1.00 0.00 C ATOM 753 O GLU A 49 -4.883 11.043 4.936 1.00 0.00 O ATOM 754 CB GLU A 49 -3.043 10.800 6.999 1.00 0.00 C ATOM 755 CG GLU A 49 -2.386 12.150 6.765 1.00 0.00 C ATOM 756 CD GLU A 49 -2.392 12.976 8.029 1.00 0.00 C ATOM 757 OE1 GLU A 49 -1.471 12.815 8.877 1.00 0.00 O ATOM 758 OE2 GLU A 49 -3.319 13.786 8.226 1.00 0.00 O ATOM 0 H GLU A 49 -1.635 9.446 4.284 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.456 8.877 6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.077 10.974 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.545 10.323 7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.361 12.006 6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.913 12.684 5.974 1.00 0.00 H new ATOM 765 N GLY A 50 -3.599 9.907 3.493 1.00 0.00 N ATOM 766 CA GLY A 50 -4.407 10.297 2.383 1.00 0.00 C ATOM 767 C GLY A 50 -5.694 9.541 2.453 1.00 0.00 C ATOM 768 O GLY A 50 -6.731 10.013 1.978 1.00 0.00 O ATOM 0 H GLY A 50 -2.806 9.307 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.595 11.370 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.893 10.086 1.446 1.00 0.00 H new ATOM 772 N GLY A 51 -5.642 8.339 3.047 1.00 0.00 N ATOM 773 CA GLY A 51 -6.863 7.655 3.286 1.00 0.00 C ATOM 774 C GLY A 51 -7.006 7.293 4.737 1.00 0.00 C ATOM 775 O GLY A 51 -7.815 7.857 5.471 1.00 0.00 O ATOM 0 H GLY A 51 -4.794 7.860 3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.700 8.282 2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.902 6.752 2.677 1.00 0.00 H new ATOM 779 N HIS A 52 -6.208 6.367 5.127 1.00 0.00 N ATOM 780 CA HIS A 52 -6.194 5.746 6.417 1.00 0.00 C ATOM 781 C HIS A 52 -4.780 5.299 6.528 1.00 0.00 C ATOM 782 O HIS A 52 -3.975 5.646 5.667 1.00 0.00 O ATOM 783 CB HIS A 52 -7.102 4.473 6.467 1.00 0.00 C ATOM 784 CG HIS A 52 -8.582 4.665 6.224 1.00 0.00 C ATOM 785 ND1 HIS A 52 -9.509 4.713 7.235 1.00 0.00 N ATOM 786 CD2 HIS A 52 -9.293 4.749 5.073 1.00 0.00 C ATOM 787 CE1 HIS A 52 -10.712 4.813 6.728 1.00 0.00 C ATOM 788 NE2 HIS A 52 -10.610 4.840 5.421 1.00 0.00 N ATOM 0 H HIS A 52 -5.489 5.989 4.510 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.549 6.416 7.200 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.729 3.763 5.729 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.979 4.009 7.446 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.893 4.745 4.070 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -11.632 4.865 7.291 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -11.390 4.917 4.768 1.00 0.00 H new ATOM 797 N ASN A 53 -4.447 4.558 7.509 1.00 0.00 N ATOM 798 CA ASN A 53 -3.186 3.862 7.437 1.00 0.00 C ATOM 799 C ASN A 53 -3.442 2.591 6.641 1.00 0.00 C ATOM 800 O ASN A 53 -3.824 1.571 7.201 1.00 0.00 O ATOM 801 CB ASN A 53 -2.571 3.555 8.812 1.00 0.00 C ATOM 802 CG ASN A 53 -2.106 4.818 9.587 1.00 0.00 C ATOM 803 OD1 ASN A 53 -2.052 4.798 10.825 1.00 0.00 O ATOM 804 ND2 ASN A 53 -1.797 5.939 8.894 1.00 0.00 N ATOM 0 H ASN A 53 -4.996 4.407 8.355 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.446 4.498 6.952 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.303 3.019 9.416 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.719 2.888 8.678 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.515 6.784 9.391 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.847 5.939 7.875 1.00 0.00 H new ATOM 811 N ILE A 54 -3.354 2.728 5.304 1.00 0.00 N ATOM 812 CA ILE A 54 -3.654 1.652 4.354 1.00 0.00 C ATOM 813 C ILE A 54 -2.969 0.351 4.671 1.00 0.00 C ATOM 814 O ILE A 54 -1.760 0.292 4.891 1.00 0.00 O ATOM 815 CB ILE A 54 -3.365 2.011 2.838 1.00 0.00 C ATOM 816 CG1 ILE A 54 -4.455 2.909 2.192 1.00 0.00 C ATOM 817 CG2 ILE A 54 -3.298 0.724 2.047 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.888 4.110 2.986 1.00 0.00 C ATOM 0 H ILE A 54 -3.070 3.598 4.854 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.730 1.530 4.479 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.428 2.568 2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.086 3.253 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.333 2.294 1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.100 0.951 0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.498 0.096 2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.248 0.196 2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.651 4.657 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.297 3.785 3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.030 4.760 3.160 1.00 0.00 H new ATOM 830 N LYS A 55 -3.750 -0.682 4.639 1.00 0.00 N ATOM 831 CA LYS A 55 -3.273 -1.979 4.704 1.00 0.00 C ATOM 832 C LYS A 55 -3.707 -2.567 3.422 1.00 0.00 C ATOM 833 O LYS A 55 -4.822 -2.319 2.989 1.00 0.00 O ATOM 834 CB LYS A 55 -3.798 -2.782 5.930 1.00 0.00 C ATOM 835 CG LYS A 55 -5.258 -2.563 6.324 1.00 0.00 C ATOM 836 CD LYS A 55 -5.466 -1.245 7.070 1.00 0.00 C ATOM 837 CE LYS A 55 -6.924 -1.001 7.397 1.00 0.00 C ATOM 838 NZ LYS A 55 -7.766 -0.860 6.184 1.00 0.00 N ATOM 0 H LYS A 55 -4.765 -0.617 4.564 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.193 -2.005 4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.657 -3.843 5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.174 -2.536 6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.879 -2.573 5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.591 -3.390 6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.885 -1.255 7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.088 -0.422 6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.300 -1.827 8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.011 -0.098 8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.768 -0.814 6.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.505 0.011 5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.616 -1.679 5.561 1.00 0.00 H new ATOM 852 N ILE A 56 -2.862 -3.211 2.741 1.00 0.00 N ATOM 853 CA ILE A 56 -3.298 -3.786 1.552 1.00 0.00 C ATOM 854 C ILE A 56 -3.906 -5.114 1.888 1.00 0.00 C ATOM 855 O ILE A 56 -3.400 -5.821 2.769 1.00 0.00 O ATOM 856 CB ILE A 56 -2.202 -3.954 0.522 1.00 0.00 C ATOM 857 CG1 ILE A 56 -1.002 -4.746 1.045 1.00 0.00 C ATOM 858 CG2 ILE A 56 -1.831 -2.611 -0.042 1.00 0.00 C ATOM 859 CD1 ILE A 56 0.183 -4.733 0.109 1.00 0.00 C ATOM 0 H ILE A 56 -1.880 -3.353 2.980 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.025 -3.115 1.094 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.588 -4.567 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.698 -4.336 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.306 -5.778 1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.042 -2.733 -0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.705 -2.160 -0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.477 -1.964 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.996 -5.314 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.104 -5.170 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.513 -3.706 -0.046 1.00 0.00 H new ATOM 871 N ILE A 57 -4.980 -5.446 1.260 1.00 0.00 N ATOM 872 CA ILE A 57 -5.631 -6.689 1.552 1.00 0.00 C ATOM 873 C ILE A 57 -4.839 -7.793 0.926 1.00 0.00 C ATOM 874 O ILE A 57 -4.662 -8.877 1.470 1.00 0.00 O ATOM 875 CB ILE A 57 -7.123 -6.710 1.100 1.00 0.00 C ATOM 876 CG1 ILE A 57 -7.831 -7.950 1.574 1.00 0.00 C ATOM 877 CG2 ILE A 57 -7.304 -6.513 -0.392 1.00 0.00 C ATOM 878 CD1 ILE A 57 -9.283 -8.068 1.140 1.00 0.00 C ATOM 0 H ILE A 57 -5.431 -4.880 0.541 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.663 -6.826 2.633 1.00 0.00 H new ATOM 0 HB ILE A 57 -7.587 -5.849 1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.287 -8.822 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.790 -7.980 2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.366 -6.539 -0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.888 -5.549 -0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.789 -7.309 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.705 -8.994 1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.848 -7.220 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.338 -8.075 0.051 1.00 0.00 H new ATOM 890 N ARG A 58 -4.360 -7.472 -0.194 1.00 0.00 N ATOM 891 CA ARG A 58 -3.504 -8.255 -0.908 1.00 0.00 C ATOM 892 C ARG A 58 -2.282 -7.528 -1.302 1.00 0.00 C ATOM 893 O ARG A 58 -2.312 -6.375 -1.712 1.00 0.00 O ATOM 894 CB ARG A 58 -4.144 -9.122 -1.990 1.00 0.00 C ATOM 895 CG ARG A 58 -4.778 -10.373 -1.453 1.00 0.00 C ATOM 896 CD ARG A 58 -3.717 -11.276 -0.852 1.00 0.00 C ATOM 897 NE ARG A 58 -2.767 -11.744 -1.872 1.00 0.00 N ATOM 898 CZ ARG A 58 -3.001 -12.756 -2.718 1.00 0.00 C ATOM 899 NH1 ARG A 58 -4.092 -13.516 -2.575 1.00 0.00 N ATOM 900 NH2 ARG A 58 -2.132 -13.024 -3.679 1.00 0.00 N ATOM 0 H ARG A 58 -4.580 -6.590 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.167 -9.024 -0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.899 -8.537 -2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.385 -9.394 -2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.521 -10.118 -0.697 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.303 -10.897 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.179 -10.738 -0.072 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.194 -12.133 -0.377 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.869 -11.266 -1.940 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.750 -13.326 -1.819 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.266 -14.285 -3.222 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.287 -12.461 -3.774 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.307 -13.794 -4.325 1.00 0.00 H new ATOM 914 N ASN A 59 -1.221 -8.225 -1.131 1.00 0.00 N ATOM 915 CA ASN A 59 0.123 -7.767 -1.323 1.00 0.00 C ATOM 916 C ASN A 59 0.506 -7.730 -2.796 1.00 0.00 C ATOM 917 O ASN A 59 1.612 -7.332 -3.153 1.00 0.00 O ATOM 918 CB ASN A 59 1.046 -8.738 -0.627 1.00 0.00 C ATOM 919 CG ASN A 59 0.980 -10.181 -1.188 1.00 0.00 C ATOM 920 OD1 ASN A 59 -0.077 -10.649 -1.667 1.00 0.00 O ATOM 921 ND2 ASN A 59 2.075 -10.885 -1.125 1.00 0.00 N ATOM 0 H ASN A 59 -1.261 -9.200 -0.832 1.00 0.00 H new ATOM 0 HA ASN A 59 0.204 -6.757 -0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.070 -8.373 -0.710 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.800 -8.760 0.435 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.085 -11.844 -1.472 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.922 -10.477 -0.729 1.00 0.00 H new ATOM 928 N GLY A 60 -0.392 -8.161 -3.609 1.00 0.00 N ATOM 929 CA GLY A 60 -0.207 -8.236 -5.004 1.00 0.00 C ATOM 930 C GLY A 60 -1.543 -8.472 -5.588 1.00 0.00 C ATOM 931 O GLY A 60 -2.523 -8.265 -4.863 1.00 0.00 O ATOM 0 H GLY A 60 -1.310 -8.482 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.228 -7.313 -5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.478 -9.043 -5.262 1.00 0.00 H new ATOM 935 N PRO A 61 -1.634 -8.920 -6.854 1.00 0.00 N ATOM 936 CA PRO A 61 -2.911 -9.191 -7.526 1.00 0.00 C ATOM 937 C PRO A 61 -3.857 -10.008 -6.656 1.00 0.00 C ATOM 938 O PRO A 61 -3.472 -11.064 -6.124 1.00 0.00 O ATOM 939 CB PRO A 61 -2.495 -9.992 -8.757 1.00 0.00 C ATOM 940 CG PRO A 61 -1.132 -9.499 -9.067 1.00 0.00 C ATOM 941 CD PRO A 61 -0.486 -9.193 -7.741 1.00 0.00 C ATOM 0 HA PRO A 61 -3.455 -8.276 -7.758 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.495 -11.063 -8.554 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.178 -9.826 -9.590 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.561 -10.249 -9.614 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.173 -8.609 -9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.109 -10.032 -7.381 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.182 -8.335 -7.809 1.00 0.00 H new ATOM 949 N CYS A 62 -5.048 -9.479 -6.474 1.00 0.00 N ATOM 950 CA CYS A 62 -6.092 -10.102 -5.684 1.00 0.00 C ATOM 951 C CYS A 62 -6.378 -11.489 -6.264 1.00 0.00 C ATOM 952 O CYS A 62 -6.691 -11.570 -7.471 1.00 0.00 O ATOM 953 CB CYS A 62 -7.399 -9.248 -5.709 1.00 0.00 C ATOM 954 SG CYS A 62 -7.317 -7.502 -5.094 1.00 0.00 S ATOM 955 OXT CYS A 62 -6.209 -12.514 -5.552 1.00 0.00 O ATOM 0 H CYS A 62 -5.325 -8.585 -6.879 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.758 -10.179 -4.649 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.760 -9.222 -6.737 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -8.151 -9.773 -5.120 1.00 0.00 H new