USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 559 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 65 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 69 ASN : amide:sc= -2.79! K(o=-2.8!,f=-0.086) USER MOD Single : A 14 TYR OH : rot 180:sc=-0.00121 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0318) USER MOD Single : A 22 MET CE :methyl -155:sc= -0.242 (180deg=-0.959) USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= -0.0401 (180deg=-0.341) USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0.709 (180deg=0.628) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -1.61! K(o=-1.6!,f=-3.4) USER MOD Single : A 29 CYS SG : rot 140:sc= -0.392 USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.0142 (180deg=-0.189) USER MOD Single : A 33 MET CE :methyl 160:sc= -3.38! (180deg=-5.26!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -80:sc= 0.328 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -48:sc= 1.21 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.991 K(o=0.99,f=0) USER MOD Single : A 49 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-3) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -3.13 K(o=-3.1,f=-0.37) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= 1.24 (180deg=0.876) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -114:sc= 0.164 (180deg=-0.207) USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -0.0789 (180deg=-0.456) USER MOD Single : A 66 ASN : amide:sc= 1.12 K(o=1.1,f=-0.054) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N ILE A 12 1.525 6.913 5.480 1.00 11.45 N ATOM 177 CA ILE A 12 0.328 6.480 4.827 1.00 53.43 C ATOM 178 C ILE A 12 -0.595 5.863 5.827 1.00 41.43 C ATOM 179 O ILE A 12 -0.191 4.991 6.602 1.00 50.10 O ATOM 180 CB ILE A 12 0.645 5.387 3.786 1.00 32.12 C ATOM 181 CG1 ILE A 12 1.791 5.815 2.885 1.00 4.31 C ATOM 182 CG2 ILE A 12 -0.591 5.105 2.941 1.00 13.04 C ATOM 183 CD1 ILE A 12 2.211 4.744 1.921 1.00 11.54 C ATOM 0 HA ILE A 12 -0.123 7.349 4.348 1.00 53.43 H new ATOM 0 HB ILE A 12 0.940 4.482 4.317 1.00 32.12 H new ATOM 0 HG12 ILE A 12 1.495 6.703 2.326 1.00 4.31 H new ATOM 0 HG13 ILE A 12 2.645 6.096 3.501 1.00 4.31 H new ATOM 0 HG21 ILE A 12 -0.362 4.332 2.207 1.00 13.04 H new ATOM 0 HG22 ILE A 12 -1.402 4.765 3.585 1.00 13.04 H new ATOM 0 HG23 ILE A 12 -0.895 6.016 2.425 1.00 13.04 H new ATOM 0 HD11 ILE A 12 3.033 5.110 1.306 1.00 11.54 H new ATOM 0 HD12 ILE A 12 2.537 3.863 2.475 1.00 11.54 H new ATOM 0 HD13 ILE A 12 1.369 4.479 1.282 1.00 11.54 H new ATOM 195 N ARG A 13 -1.790 6.314 5.847 1.00 44.31 N ATOM 196 CA ARG A 13 -2.797 5.685 6.607 1.00 35.31 C ATOM 197 C ARG A 13 -3.750 5.068 5.618 1.00 30.21 C ATOM 198 O ARG A 13 -3.694 5.389 4.437 1.00 2.03 O ATOM 199 CB ARG A 13 -3.510 6.654 7.528 1.00 22.22 C ATOM 200 CG ARG A 13 -2.588 7.346 8.521 1.00 53.53 C ATOM 201 CD ARG A 13 -3.331 8.359 9.377 1.00 23.42 C ATOM 202 NE ARG A 13 -4.355 7.752 10.254 1.00 34.10 N ATOM 203 CZ ARG A 13 -5.161 8.457 11.071 1.00 21.54 C ATOM 204 NH1 ARG A 13 -5.137 9.785 11.051 1.00 61.44 N ATOM 205 NH2 ARG A 13 -6.001 7.833 11.885 1.00 2.12 N ATOM 0 H ARG A 13 -2.100 7.138 5.331 1.00 44.31 H new ATOM 0 HA ARG A 13 -2.363 4.931 7.263 1.00 35.31 H new ATOM 0 HB2 ARG A 13 -4.014 7.410 6.926 1.00 22.22 H new ATOM 0 HB3 ARG A 13 -4.283 6.117 8.077 1.00 22.22 H new ATOM 0 HG2 ARG A 13 -2.122 6.600 9.165 1.00 53.53 H new ATOM 0 HG3 ARG A 13 -1.785 7.847 7.981 1.00 53.53 H new ATOM 0 HD2 ARG A 13 -2.612 8.900 9.992 1.00 23.42 H new ATOM 0 HD3 ARG A 13 -3.809 9.091 8.727 1.00 23.42 H new ATOM 0 HE ARG A 13 -4.457 6.737 10.239 1.00 34.10 H new ATOM 0 HH11 ARG A 13 -4.507 10.274 10.415 1.00 61.44 H new ATOM 0 HH12 ARG A 13 -5.749 10.316 11.671 1.00 61.44 H new ATOM 0 HH21 ARG A 13 -6.039 6.814 11.895 1.00 2.12 H new ATOM 0 HH22 ARG A 13 -6.609 8.372 12.502 1.00 2.12 H new ATOM 219 N TYR A 14 -4.603 4.211 6.073 1.00 4.22 N ATOM 220 CA TYR A 14 -5.508 3.484 5.196 1.00 12.20 C ATOM 221 C TYR A 14 -6.471 4.456 4.502 1.00 54.14 C ATOM 222 O TYR A 14 -6.910 4.229 3.375 1.00 10.21 O ATOM 223 CB TYR A 14 -6.264 2.446 6.017 1.00 34.23 C ATOM 224 CG TYR A 14 -5.337 1.573 6.838 1.00 72.22 C ATOM 225 CD1 TYR A 14 -4.722 0.458 6.291 1.00 51.42 C ATOM 226 CD2 TYR A 14 -5.068 1.883 8.172 1.00 10.23 C ATOM 227 CE1 TYR A 14 -3.873 -0.316 7.044 1.00 43.42 C ATOM 228 CE2 TYR A 14 -4.218 1.109 8.926 1.00 74.10 C ATOM 229 CZ TYR A 14 -3.623 0.012 8.361 1.00 14.00 C ATOM 230 OH TYR A 14 -2.765 -0.763 9.114 1.00 71.43 O ATOM 0 H TYR A 14 -4.705 3.983 7.062 1.00 4.22 H new ATOM 0 HA TYR A 14 -4.941 2.973 4.418 1.00 12.20 H new ATOM 0 HB2 TYR A 14 -6.965 2.952 6.681 1.00 34.23 H new ATOM 0 HB3 TYR A 14 -6.854 1.818 5.349 1.00 34.23 H new ATOM 0 HD1 TYR A 14 -4.912 0.195 5.261 1.00 51.42 H new ATOM 0 HD2 TYR A 14 -5.536 2.747 8.620 1.00 10.23 H new ATOM 0 HE1 TYR A 14 -3.401 -1.182 6.605 1.00 43.42 H new ATOM 0 HE2 TYR A 14 -4.021 1.364 9.957 1.00 74.10 H new ATOM 0 HH TYR A 14 -2.699 -0.393 10.019 1.00 71.43 H new ATOM 240 N SER A 15 -6.748 5.554 5.178 1.00 33.02 N ATOM 241 CA SER A 15 -7.607 6.610 4.678 1.00 3.11 C ATOM 242 C SER A 15 -6.912 7.419 3.544 1.00 74.30 C ATOM 243 O SER A 15 -7.572 8.164 2.803 1.00 43.13 O ATOM 244 CB SER A 15 -7.968 7.528 5.839 1.00 63.03 C ATOM 245 OG SER A 15 -8.600 6.795 6.907 1.00 70.23 O ATOM 0 H SER A 15 -6.375 5.741 6.109 1.00 33.02 H new ATOM 0 HA SER A 15 -8.508 6.167 4.253 1.00 3.11 H new ATOM 0 HB2 SER A 15 -7.068 8.017 6.213 1.00 63.03 H new ATOM 0 HB3 SER A 15 -8.636 8.315 5.489 1.00 63.03 H new ATOM 0 HG SER A 15 -8.820 7.408 7.639 1.00 70.23 H new ATOM 251 N ASP A 16 -5.586 7.258 3.416 1.00 43.10 N ATOM 252 CA ASP A 16 -4.802 7.929 2.359 1.00 21.42 C ATOM 253 C ASP A 16 -4.865 7.130 1.102 1.00 53.30 C ATOM 254 O ASP A 16 -4.722 7.661 0.000 1.00 70.23 O ATOM 255 CB ASP A 16 -3.303 8.061 2.729 1.00 61.22 C ATOM 256 CG ASP A 16 -2.973 9.128 3.738 1.00 60.22 C ATOM 257 OD1 ASP A 16 -3.077 8.881 4.955 1.00 63.32 O ATOM 258 OD2 ASP A 16 -2.536 10.227 3.320 1.00 74.30 O ATOM 0 H ASP A 16 -5.029 6.667 4.033 1.00 43.10 H new ATOM 0 HA ASP A 16 -5.235 8.922 2.237 1.00 21.42 H new ATOM 0 HB2 ASP A 16 -2.957 7.102 3.115 1.00 61.22 H new ATOM 0 HB3 ASP A 16 -2.739 8.261 1.818 1.00 61.22 H new ATOM 263 N VAL A 17 -5.097 5.862 1.260 1.00 60.41 N ATOM 264 CA VAL A 17 -5.067 4.941 0.157 1.00 44.42 C ATOM 265 C VAL A 17 -6.427 4.908 -0.525 1.00 13.40 C ATOM 266 O VAL A 17 -7.462 4.913 0.135 1.00 4.20 O ATOM 267 CB VAL A 17 -4.701 3.513 0.635 1.00 11.02 C ATOM 268 CG1 VAL A 17 -4.495 2.571 -0.532 1.00 3.32 C ATOM 269 CG2 VAL A 17 -3.495 3.520 1.554 1.00 41.44 C ATOM 0 H VAL A 17 -5.313 5.432 2.159 1.00 60.41 H new ATOM 0 HA VAL A 17 -4.307 5.280 -0.547 1.00 44.42 H new ATOM 0 HB VAL A 17 -5.548 3.143 1.212 1.00 11.02 H new ATOM 0 HG11 VAL A 17 -4.240 1.579 -0.158 1.00 3.32 H new ATOM 0 HG12 VAL A 17 -5.412 2.513 -1.119 1.00 3.32 H new ATOM 0 HG13 VAL A 17 -3.685 2.942 -1.160 1.00 3.32 H new ATOM 0 HG21 VAL A 17 -3.270 2.500 1.867 1.00 41.44 H new ATOM 0 HG22 VAL A 17 -2.637 3.934 1.025 1.00 41.44 H new ATOM 0 HG23 VAL A 17 -3.710 4.130 2.431 1.00 41.44 H new ATOM 279 N LYS A 18 -6.418 4.916 -1.831 1.00 53.12 N ATOM 280 CA LYS A 18 -7.646 4.814 -2.601 1.00 74.51 C ATOM 281 C LYS A 18 -7.731 3.423 -3.182 1.00 63.31 C ATOM 282 O LYS A 18 -8.821 2.864 -3.387 1.00 65.33 O ATOM 283 CB LYS A 18 -7.618 5.813 -3.733 1.00 34.01 C ATOM 284 CG LYS A 18 -8.945 5.943 -4.480 1.00 1.41 C ATOM 285 CD LYS A 18 -8.868 6.949 -5.622 1.00 2.22 C ATOM 286 CE LYS A 18 -7.841 6.540 -6.664 1.00 34.33 C ATOM 287 NZ LYS A 18 -7.828 7.464 -7.808 1.00 42.45 N ATOM 0 H LYS A 18 -5.571 4.992 -2.395 1.00 53.12 H new ATOM 0 HA LYS A 18 -8.504 5.015 -1.959 1.00 74.51 H new ATOM 0 HB2 LYS A 18 -7.339 6.789 -3.336 1.00 34.01 H new ATOM 0 HB3 LYS A 18 -6.841 5.523 -4.441 1.00 34.01 H new ATOM 0 HG2 LYS A 18 -9.234 4.969 -4.875 1.00 1.41 H new ATOM 0 HG3 LYS A 18 -9.724 6.248 -3.782 1.00 1.41 H new ATOM 0 HD2 LYS A 18 -9.847 7.041 -6.093 1.00 2.22 H new ATOM 0 HD3 LYS A 18 -8.612 7.931 -5.225 1.00 2.22 H new ATOM 0 HE2 LYS A 18 -6.851 6.512 -6.208 1.00 34.33 H new ATOM 0 HE3 LYS A 18 -8.060 5.531 -7.014 1.00 34.33 H new ATOM 0 HZ1 LYS A 18 -7.115 7.152 -8.498 1.00 42.45 H new ATOM 0 HZ2 LYS A 18 -8.765 7.472 -8.259 1.00 42.45 H new ATOM 0 HZ3 LYS A 18 -7.595 8.422 -7.478 1.00 42.45 H new ATOM 301 N LYS A 19 -6.568 2.873 -3.430 1.00 21.41 N ATOM 302 CA LYS A 19 -6.417 1.554 -3.990 1.00 15.13 C ATOM 303 C LYS A 19 -5.021 1.037 -3.706 1.00 14.50 C ATOM 304 O LYS A 19 -4.056 1.823 -3.628 1.00 2.54 O ATOM 305 CB LYS A 19 -6.702 1.516 -5.500 1.00 72.50 C ATOM 306 CG LYS A 19 -5.756 2.296 -6.373 1.00 24.44 C ATOM 307 CD LYS A 19 -6.094 2.144 -7.855 1.00 32.33 C ATOM 308 CE LYS A 19 -6.054 0.679 -8.315 1.00 14.41 C ATOM 309 NZ LYS A 19 -4.721 0.054 -8.136 1.00 63.15 N ATOM 0 H LYS A 19 -5.681 3.341 -3.244 1.00 21.41 H new ATOM 0 HA LYS A 19 -7.156 0.910 -3.514 1.00 15.13 H new ATOM 0 HB2 LYS A 19 -6.690 0.476 -5.825 1.00 72.50 H new ATOM 0 HB3 LYS A 19 -7.712 1.891 -5.668 1.00 72.50 H new ATOM 0 HG2 LYS A 19 -5.793 3.350 -6.098 1.00 24.44 H new ATOM 0 HG3 LYS A 19 -4.735 1.957 -6.197 1.00 24.44 H new ATOM 0 HD2 LYS A 19 -7.086 2.555 -8.043 1.00 32.33 H new ATOM 0 HD3 LYS A 19 -5.390 2.728 -8.448 1.00 32.33 H new ATOM 0 HE2 LYS A 19 -6.795 0.108 -7.756 1.00 14.41 H new ATOM 0 HE3 LYS A 19 -6.336 0.626 -9.366 1.00 14.41 H new ATOM 0 HZ1 LYS A 19 -4.740 -0.916 -8.510 1.00 63.15 H new ATOM 0 HZ2 LYS A 19 -4.006 0.609 -8.648 1.00 63.15 H new ATOM 0 HZ3 LYS A 19 -4.481 0.031 -7.124 1.00 63.15 H new ATOM 323 N LEU A 20 -4.914 -0.246 -3.550 1.00 74.13 N ATOM 324 CA LEU A 20 -3.673 -0.881 -3.229 1.00 74.24 C ATOM 325 C LEU A 20 -3.509 -2.059 -4.175 1.00 35.13 C ATOM 326 O LEU A 20 -4.422 -2.877 -4.310 1.00 2.32 O ATOM 327 CB LEU A 20 -3.757 -1.319 -1.747 1.00 71.43 C ATOM 328 CG LEU A 20 -2.506 -1.867 -1.048 1.00 60.13 C ATOM 329 CD1 LEU A 20 -2.780 -1.949 0.443 1.00 24.03 C ATOM 330 CD2 LEU A 20 -2.136 -3.255 -1.568 1.00 4.34 C ATOM 0 H LEU A 20 -5.698 -0.892 -3.643 1.00 74.13 H new ATOM 0 HA LEU A 20 -2.808 -0.228 -3.347 1.00 74.24 H new ATOM 0 HB2 LEU A 20 -4.102 -0.460 -1.172 1.00 71.43 H new ATOM 0 HB3 LEU A 20 -4.532 -2.083 -1.676 1.00 71.43 H new ATOM 0 HG LEU A 20 -1.672 -1.197 -1.254 1.00 60.13 H new ATOM 0 HD11 LEU A 20 -1.899 -2.337 0.954 1.00 24.03 H new ATOM 0 HD12 LEU A 20 -3.013 -0.955 0.825 1.00 24.03 H new ATOM 0 HD13 LEU A 20 -3.625 -2.614 0.622 1.00 24.03 H new ATOM 0 HD21 LEU A 20 -1.245 -3.612 -1.051 1.00 4.34 H new ATOM 0 HD22 LEU A 20 -2.961 -3.943 -1.387 1.00 4.34 H new ATOM 0 HD23 LEU A 20 -1.937 -3.201 -2.638 1.00 4.34 H new ATOM 342 N GLU A 21 -2.386 -2.137 -4.847 1.00 4.14 N ATOM 343 CA GLU A 21 -2.162 -3.203 -5.778 1.00 15.24 C ATOM 344 C GLU A 21 -0.841 -3.857 -5.475 1.00 70.03 C ATOM 345 O GLU A 21 0.134 -3.178 -5.187 1.00 13.03 O ATOM 346 CB GLU A 21 -2.170 -2.660 -7.212 1.00 11.53 C ATOM 347 CG GLU A 21 -1.990 -3.719 -8.283 1.00 22.21 C ATOM 348 CD GLU A 21 -3.066 -4.766 -8.234 1.00 43.21 C ATOM 349 OE1 GLU A 21 -4.145 -4.542 -8.795 1.00 23.43 O ATOM 350 OE2 GLU A 21 -2.844 -5.842 -7.628 1.00 50.23 O ATOM 0 H GLU A 21 -1.617 -1.473 -4.763 1.00 4.14 H new ATOM 0 HA GLU A 21 -2.959 -3.941 -5.684 1.00 15.24 H new ATOM 0 HB2 GLU A 21 -3.113 -2.141 -7.386 1.00 11.53 H new ATOM 0 HB3 GLU A 21 -1.376 -1.920 -7.312 1.00 11.53 H new ATOM 0 HG2 GLU A 21 -1.992 -3.245 -9.264 1.00 22.21 H new ATOM 0 HG3 GLU A 21 -1.017 -4.195 -8.161 1.00 22.21 H new ATOM 357 N MET A 22 -0.807 -5.156 -5.504 1.00 35.40 N ATOM 358 CA MET A 22 0.421 -5.842 -5.278 1.00 14.31 C ATOM 359 C MET A 22 0.941 -6.404 -6.577 1.00 10.22 C ATOM 360 O MET A 22 0.350 -7.315 -7.161 1.00 52.32 O ATOM 361 CB MET A 22 0.221 -6.959 -4.261 1.00 4.14 C ATOM 362 CG MET A 22 -0.150 -6.476 -2.870 1.00 73.01 C ATOM 363 SD MET A 22 -0.540 -7.831 -1.744 1.00 10.42 S ATOM 364 CE MET A 22 -1.989 -8.515 -2.555 1.00 61.42 C ATOM 0 H MET A 22 -1.613 -5.756 -5.681 1.00 35.40 H new ATOM 0 HA MET A 22 1.152 -5.138 -4.880 1.00 14.31 H new ATOM 0 HB2 MET A 22 -0.561 -7.628 -4.622 1.00 4.14 H new ATOM 0 HB3 MET A 22 1.138 -7.545 -4.197 1.00 4.14 H new ATOM 0 HG2 MET A 22 0.675 -5.894 -2.460 1.00 73.01 H new ATOM 0 HG3 MET A 22 -1.008 -5.808 -2.939 1.00 73.01 H new ATOM 0 HE1 MET A 22 -2.605 -9.035 -1.821 1.00 61.42 H new ATOM 0 HE2 MET A 22 -2.566 -7.709 -3.009 1.00 61.42 H new ATOM 0 HE3 MET A 22 -1.676 -9.217 -3.328 1.00 61.42 H new ATOM 374 N LYS A 23 2.024 -5.842 -7.029 1.00 50.10 N ATOM 375 CA LYS A 23 2.730 -6.293 -8.201 1.00 70.14 C ATOM 376 C LYS A 23 4.153 -5.765 -8.167 1.00 0.23 C ATOM 377 O LYS A 23 4.404 -4.728 -7.546 1.00 44.15 O ATOM 378 CB LYS A 23 1.962 -5.986 -9.541 1.00 14.12 C ATOM 379 CG LYS A 23 1.537 -4.531 -9.821 1.00 45.30 C ATOM 380 CD LYS A 23 2.709 -3.598 -10.065 1.00 23.30 C ATOM 381 CE LYS A 23 2.229 -2.205 -10.423 1.00 34.25 C ATOM 382 NZ LYS A 23 1.469 -2.181 -11.687 1.00 75.11 N ATOM 0 H LYS A 23 2.456 -5.033 -6.582 1.00 50.10 H new ATOM 0 HA LYS A 23 2.781 -7.382 -8.182 1.00 70.14 H new ATOM 0 HB2 LYS A 23 2.592 -6.314 -10.368 1.00 14.12 H new ATOM 0 HB3 LYS A 23 1.064 -6.604 -9.559 1.00 14.12 H new ATOM 0 HG2 LYS A 23 0.880 -4.513 -10.691 1.00 45.30 H new ATOM 0 HG3 LYS A 23 0.957 -4.161 -8.976 1.00 45.30 H new ATOM 0 HD2 LYS A 23 3.334 -3.553 -9.173 1.00 23.30 H new ATOM 0 HD3 LYS A 23 3.330 -3.991 -10.870 1.00 23.30 H new ATOM 0 HE2 LYS A 23 1.602 -1.821 -9.618 1.00 34.25 H new ATOM 0 HE3 LYS A 23 3.087 -1.538 -10.505 1.00 34.25 H new ATOM 0 HZ1 LYS A 23 1.411 -1.204 -12.039 1.00 75.11 H new ATOM 0 HZ2 LYS A 23 1.950 -2.775 -12.393 1.00 75.11 H new ATOM 0 HZ3 LYS A 23 0.510 -2.547 -11.522 1.00 75.11 H new ATOM 396 N PRO A 24 5.118 -6.466 -8.757 1.00 1.23 N ATOM 397 CA PRO A 24 6.472 -5.960 -8.826 1.00 2.14 C ATOM 398 C PRO A 24 6.532 -4.763 -9.774 1.00 35.20 C ATOM 399 O PRO A 24 6.213 -4.881 -10.960 1.00 2.45 O ATOM 400 CB PRO A 24 7.282 -7.140 -9.376 1.00 50.22 C ATOM 401 CG PRO A 24 6.291 -7.965 -10.119 1.00 1.14 C ATOM 402 CD PRO A 24 4.980 -7.792 -9.403 1.00 51.33 C ATOM 0 HA PRO A 24 6.852 -5.613 -7.865 1.00 2.14 H new ATOM 0 HB2 PRO A 24 8.084 -6.799 -10.031 1.00 50.22 H new ATOM 0 HB3 PRO A 24 7.748 -7.710 -8.572 1.00 50.22 H new ATOM 0 HG2 PRO A 24 6.214 -7.640 -11.157 1.00 1.14 H new ATOM 0 HG3 PRO A 24 6.591 -9.013 -10.135 1.00 1.14 H new ATOM 0 HD2 PRO A 24 4.138 -7.817 -10.094 1.00 51.33 H new ATOM 0 HD3 PRO A 24 4.815 -8.582 -8.670 1.00 51.33 H new ATOM 410 N LYS A 25 6.909 -3.606 -9.245 1.00 34.13 N ATOM 411 CA LYS A 25 6.987 -2.393 -10.047 1.00 75.22 C ATOM 412 C LYS A 25 8.084 -2.530 -11.103 1.00 51.23 C ATOM 413 O LYS A 25 8.049 -1.901 -12.154 1.00 23.14 O ATOM 414 CB LYS A 25 7.220 -1.193 -9.144 1.00 0.23 C ATOM 415 CG LYS A 25 7.110 0.136 -9.861 1.00 53.22 C ATOM 416 CD LYS A 25 7.100 1.258 -8.873 1.00 40.34 C ATOM 417 CE LYS A 25 6.958 2.623 -9.550 1.00 52.15 C ATOM 418 NZ LYS A 25 5.670 2.781 -10.274 1.00 60.14 N ATOM 0 H LYS A 25 7.165 -3.483 -8.265 1.00 34.13 H new ATOM 0 HA LYS A 25 6.044 -2.240 -10.571 1.00 75.22 H new ATOM 0 HB2 LYS A 25 6.497 -1.217 -8.328 1.00 0.23 H new ATOM 0 HB3 LYS A 25 8.210 -1.273 -8.695 1.00 0.23 H new ATOM 0 HG2 LYS A 25 7.946 0.256 -10.550 1.00 53.22 H new ATOM 0 HG3 LYS A 25 6.199 0.160 -10.459 1.00 53.22 H new ATOM 0 HD2 LYS A 25 6.278 1.115 -8.172 1.00 40.34 H new ATOM 0 HD3 LYS A 25 8.022 1.237 -8.292 1.00 40.34 H new ATOM 0 HE2 LYS A 25 7.044 3.406 -8.797 1.00 52.15 H new ATOM 0 HE3 LYS A 25 7.782 2.762 -10.250 1.00 52.15 H new ATOM 0 HZ1 LYS A 25 5.602 3.747 -10.654 1.00 60.14 H new ATOM 0 HZ2 LYS A 25 5.625 2.097 -11.056 1.00 60.14 H new ATOM 0 HZ3 LYS A 25 4.880 2.610 -9.619 1.00 60.14 H new ATOM 432 N TYR A 26 9.020 -3.402 -10.819 1.00 62.12 N ATOM 433 CA TYR A 26 10.106 -3.720 -11.707 1.00 62.23 C ATOM 434 C TYR A 26 10.181 -5.222 -11.865 1.00 15.23 C ATOM 435 O TYR A 26 10.040 -5.931 -10.890 1.00 23.15 O ATOM 436 CB TYR A 26 11.441 -3.167 -11.169 1.00 32.13 C ATOM 437 CG TYR A 26 11.566 -1.677 -11.271 1.00 73.44 C ATOM 438 CD1 TYR A 26 11.054 -0.835 -10.296 1.00 35.10 C ATOM 439 CD2 TYR A 26 12.198 -1.114 -12.362 1.00 63.01 C ATOM 440 CE1 TYR A 26 11.175 0.533 -10.412 1.00 25.35 C ATOM 441 CE2 TYR A 26 12.326 0.249 -12.485 1.00 54.34 C ATOM 442 CZ TYR A 26 11.812 1.069 -11.505 1.00 5.23 C ATOM 443 OH TYR A 26 11.947 2.439 -11.617 1.00 2.43 O ATOM 0 H TYR A 26 9.046 -3.922 -9.942 1.00 62.12 H new ATOM 0 HA TYR A 26 9.926 -3.255 -12.676 1.00 62.23 H new ATOM 0 HB2 TYR A 26 11.550 -3.460 -10.125 1.00 32.13 H new ATOM 0 HB3 TYR A 26 12.262 -3.629 -11.717 1.00 32.13 H new ATOM 0 HD1 TYR A 26 10.555 -1.256 -9.436 1.00 35.10 H new ATOM 0 HD2 TYR A 26 12.599 -1.756 -13.132 1.00 63.01 H new ATOM 0 HE1 TYR A 26 10.771 1.180 -9.648 1.00 25.35 H new ATOM 0 HE2 TYR A 26 12.826 0.674 -13.343 1.00 54.34 H new ATOM 0 HH TYR A 26 12.422 2.654 -12.447 1.00 2.43 H new ATOM 453 N PRO A 27 10.382 -5.737 -13.093 1.00 10.45 N ATOM 454 CA PRO A 27 10.501 -7.194 -13.334 1.00 53.22 C ATOM 455 C PRO A 27 11.709 -7.800 -12.599 1.00 4.32 C ATOM 456 O PRO A 27 11.739 -8.986 -12.302 1.00 71.12 O ATOM 457 CB PRO A 27 10.698 -7.298 -14.855 1.00 65.24 C ATOM 458 CG PRO A 27 10.190 -6.006 -15.403 1.00 1.55 C ATOM 459 CD PRO A 27 10.460 -4.968 -14.351 1.00 11.44 C ATOM 0 HA PRO A 27 9.631 -7.739 -12.969 1.00 53.22 H new ATOM 0 HB2 PRO A 27 11.748 -7.447 -15.107 1.00 65.24 H new ATOM 0 HB3 PRO A 27 10.148 -8.144 -15.267 1.00 65.24 H new ATOM 0 HG2 PRO A 27 10.694 -5.754 -16.336 1.00 1.55 H new ATOM 0 HG3 PRO A 27 9.124 -6.069 -15.623 1.00 1.55 H new ATOM 0 HD2 PRO A 27 11.439 -4.507 -14.482 1.00 11.44 H new ATOM 0 HD3 PRO A 27 9.723 -4.165 -14.379 1.00 11.44 H new ATOM 467 N HIS A 28 12.684 -6.955 -12.293 1.00 34.31 N ATOM 468 CA HIS A 28 13.901 -7.362 -11.573 1.00 42.30 C ATOM 469 C HIS A 28 13.686 -7.288 -10.043 1.00 41.53 C ATOM 470 O HIS A 28 14.631 -7.081 -9.283 1.00 4.40 O ATOM 471 CB HIS A 28 15.112 -6.461 -11.987 1.00 35.20 C ATOM 472 CG HIS A 28 14.990 -4.979 -11.665 1.00 54.21 C ATOM 473 ND1 HIS A 28 15.326 -4.449 -10.445 1.00 44.33 N ATOM 474 CD2 HIS A 28 14.591 -3.919 -12.420 1.00 25.10 C ATOM 475 CE1 HIS A 28 15.138 -3.156 -10.466 1.00 45.14 C ATOM 476 NE2 HIS A 28 14.703 -2.808 -11.647 1.00 24.32 N ATOM 0 H HIS A 28 12.661 -5.964 -12.534 1.00 34.31 H new ATOM 0 HA HIS A 28 14.122 -8.395 -11.843 1.00 42.30 H new ATOM 0 HB2 HIS A 28 16.007 -6.845 -11.498 1.00 35.20 H new ATOM 0 HB3 HIS A 28 15.266 -6.566 -13.061 1.00 35.20 H new ATOM 0 HD2 HIS A 28 14.249 -3.955 -13.444 1.00 25.10 H new ATOM 0 HE1 HIS A 28 15.314 -2.483 -9.640 1.00 45.14 H new ATOM 0 HE2 HIS A 28 14.483 -1.856 -11.941 1.00 24.32 H new ATOM 485 N CYS A 29 12.469 -7.503 -9.606 1.00 71.31 N ATOM 486 CA CYS A 29 12.130 -7.362 -8.202 1.00 53.21 C ATOM 487 C CYS A 29 11.720 -8.711 -7.619 1.00 52.02 C ATOM 488 O CYS A 29 11.224 -9.579 -8.349 1.00 64.50 O ATOM 489 CB CYS A 29 10.964 -6.396 -8.108 1.00 35.21 C ATOM 490 SG CYS A 29 10.537 -5.839 -6.455 1.00 62.22 S ATOM 0 H CYS A 29 11.689 -7.778 -10.203 1.00 71.31 H new ATOM 0 HA CYS A 29 12.990 -6.993 -7.642 1.00 53.21 H new ATOM 0 HB2 CYS A 29 11.192 -5.521 -8.717 1.00 35.21 H new ATOM 0 HB3 CYS A 29 10.087 -6.871 -8.548 1.00 35.21 H new ATOM 0 HG CYS A 29 10.239 -4.574 -6.487 1.00 62.22 H new ATOM 495 N GLU A 30 11.941 -8.904 -6.323 1.00 4.44 N ATOM 496 CA GLU A 30 11.551 -10.106 -5.672 1.00 32.30 C ATOM 497 C GLU A 30 10.114 -9.946 -5.193 1.00 14.33 C ATOM 498 O GLU A 30 9.810 -8.967 -4.496 1.00 65.43 O ATOM 499 CB GLU A 30 12.490 -10.313 -4.496 1.00 71.25 C ATOM 500 CG GLU A 30 12.310 -11.551 -3.731 1.00 72.52 C ATOM 501 CD GLU A 30 13.273 -11.630 -2.584 1.00 33.34 C ATOM 502 OE1 GLU A 30 12.944 -11.128 -1.498 1.00 62.33 O ATOM 503 OE2 GLU A 30 14.384 -12.175 -2.758 1.00 20.33 O ATOM 0 H GLU A 30 12.395 -8.223 -5.714 1.00 4.44 H new ATOM 0 HA GLU A 30 11.605 -10.967 -6.339 1.00 32.30 H new ATOM 0 HB2 GLU A 30 13.514 -10.286 -4.867 1.00 71.25 H new ATOM 0 HB3 GLU A 30 12.376 -9.470 -3.814 1.00 71.25 H new ATOM 0 HG2 GLU A 30 11.288 -11.603 -3.355 1.00 72.52 H new ATOM 0 HG3 GLU A 30 12.452 -12.410 -4.387 1.00 72.52 H new ATOM 510 N GLU A 31 9.267 -10.915 -5.511 1.00 62.42 N ATOM 511 CA GLU A 31 7.850 -10.910 -5.115 1.00 2.33 C ATOM 512 C GLU A 31 7.038 -9.661 -5.552 1.00 4.32 C ATOM 513 O GLU A 31 7.520 -8.790 -6.286 1.00 32.04 O ATOM 514 CB GLU A 31 7.669 -11.232 -3.622 1.00 53.44 C ATOM 515 CG GLU A 31 7.780 -12.724 -3.274 1.00 11.44 C ATOM 516 CD GLU A 31 9.104 -13.359 -3.612 1.00 72.25 C ATOM 517 OE1 GLU A 31 9.287 -13.814 -4.761 1.00 54.41 O ATOM 518 OE2 GLU A 31 9.967 -13.437 -2.731 1.00 71.33 O ATOM 0 H GLU A 31 9.537 -11.735 -6.054 1.00 62.42 H new ATOM 0 HA GLU A 31 7.407 -11.722 -5.692 1.00 2.33 H new ATOM 0 HB2 GLU A 31 8.417 -10.682 -3.051 1.00 53.44 H new ATOM 0 HB3 GLU A 31 6.693 -10.869 -3.301 1.00 53.44 H new ATOM 0 HG2 GLU A 31 7.597 -12.848 -2.207 1.00 11.44 H new ATOM 0 HG3 GLU A 31 6.991 -13.264 -3.798 1.00 11.44 H new ATOM 525 N LYS A 32 5.785 -9.621 -5.124 1.00 60.23 N ATOM 526 CA LYS A 32 4.871 -8.544 -5.467 1.00 3.42 C ATOM 527 C LYS A 32 4.995 -7.411 -4.497 1.00 33.10 C ATOM 528 O LYS A 32 4.814 -7.584 -3.300 1.00 32.43 O ATOM 529 CB LYS A 32 3.400 -9.031 -5.530 1.00 31.32 C ATOM 530 CG LYS A 32 3.014 -9.854 -6.766 1.00 71.33 C ATOM 531 CD LYS A 32 3.912 -11.039 -6.963 1.00 1.32 C ATOM 532 CE LYS A 32 3.504 -11.860 -8.182 1.00 73.53 C ATOM 533 NZ LYS A 32 2.133 -12.416 -8.059 1.00 20.23 N ATOM 0 H LYS A 32 5.373 -10.338 -4.527 1.00 60.23 H new ATOM 0 HA LYS A 32 5.150 -8.193 -6.461 1.00 3.42 H new ATOM 0 HB2 LYS A 32 3.199 -9.630 -4.642 1.00 31.32 H new ATOM 0 HB3 LYS A 32 2.748 -8.159 -5.481 1.00 31.32 H new ATOM 0 HG2 LYS A 32 1.983 -10.194 -6.666 1.00 71.33 H new ATOM 0 HG3 LYS A 32 3.055 -9.218 -7.651 1.00 71.33 H new ATOM 0 HD2 LYS A 32 4.941 -10.700 -7.081 1.00 1.32 H new ATOM 0 HD3 LYS A 32 3.883 -11.669 -6.074 1.00 1.32 H new ATOM 0 HE2 LYS A 32 3.561 -11.235 -9.073 1.00 73.53 H new ATOM 0 HE3 LYS A 32 4.213 -12.676 -8.320 1.00 73.53 H new ATOM 0 HZ1 LYS A 32 1.983 -13.136 -8.794 1.00 20.23 H new ATOM 0 HZ2 LYS A 32 2.017 -12.850 -7.121 1.00 20.23 H new ATOM 0 HZ3 LYS A 32 1.437 -11.652 -8.175 1.00 20.23 H new ATOM 547 N MET A 33 5.306 -6.268 -5.013 1.00 12.45 N ATOM 548 CA MET A 33 5.442 -5.067 -4.190 1.00 0.25 C ATOM 549 C MET A 33 4.100 -4.438 -3.937 1.00 44.11 C ATOM 550 O MET A 33 3.148 -4.666 -4.679 1.00 61.41 O ATOM 551 CB MET A 33 6.372 -4.027 -4.815 1.00 31.33 C ATOM 552 CG MET A 33 7.839 -4.422 -5.000 1.00 0.11 C ATOM 553 SD MET A 33 8.725 -4.887 -3.473 1.00 40.14 S ATOM 554 CE MET A 33 8.217 -6.599 -3.249 1.00 34.13 C ATOM 0 H MET A 33 5.476 -6.119 -6.008 1.00 12.45 H new ATOM 0 HA MET A 33 5.884 -5.392 -3.248 1.00 0.25 H new ATOM 0 HB2 MET A 33 5.969 -3.757 -5.791 1.00 31.33 H new ATOM 0 HB3 MET A 33 6.339 -3.130 -4.197 1.00 31.33 H new ATOM 0 HG2 MET A 33 7.887 -5.259 -5.697 1.00 0.11 H new ATOM 0 HG3 MET A 33 8.366 -3.589 -5.466 1.00 0.11 H new ATOM 0 HE1 MET A 33 8.926 -7.106 -2.595 1.00 34.13 H new ATOM 0 HE2 MET A 33 7.224 -6.628 -2.800 1.00 34.13 H new ATOM 0 HE3 MET A 33 8.192 -7.101 -4.216 1.00 34.13 H new ATOM 564 N VAL A 34 4.030 -3.650 -2.904 1.00 13.44 N ATOM 565 CA VAL A 34 2.817 -2.979 -2.533 1.00 41.12 C ATOM 566 C VAL A 34 2.787 -1.599 -3.158 1.00 72.33 C ATOM 567 O VAL A 34 3.578 -0.720 -2.791 1.00 61.02 O ATOM 568 CB VAL A 34 2.708 -2.858 -1.002 1.00 32.52 C ATOM 569 CG1 VAL A 34 1.455 -2.093 -0.602 1.00 1.50 C ATOM 570 CG2 VAL A 34 2.721 -4.239 -0.364 1.00 51.30 C ATOM 0 H VAL A 34 4.820 -3.453 -2.290 1.00 13.44 H new ATOM 0 HA VAL A 34 1.971 -3.564 -2.895 1.00 41.12 H new ATOM 0 HB VAL A 34 3.570 -2.298 -0.640 1.00 32.52 H new ATOM 0 HG11 VAL A 34 1.403 -2.022 0.484 1.00 1.50 H new ATOM 0 HG12 VAL A 34 1.488 -1.091 -1.030 1.00 1.50 H new ATOM 0 HG13 VAL A 34 0.575 -2.617 -0.974 1.00 1.50 H new ATOM 0 HG21 VAL A 34 2.643 -4.140 0.719 1.00 51.30 H new ATOM 0 HG22 VAL A 34 1.877 -4.820 -0.737 1.00 51.30 H new ATOM 0 HG23 VAL A 34 3.652 -4.748 -0.616 1.00 51.30 H new ATOM 580 N ILE A 35 1.905 -1.423 -4.098 1.00 34.13 N ATOM 581 CA ILE A 35 1.754 -0.171 -4.778 1.00 71.11 C ATOM 582 C ILE A 35 0.554 0.539 -4.208 1.00 31.55 C ATOM 583 O ILE A 35 -0.593 0.076 -4.358 1.00 25.02 O ATOM 584 CB ILE A 35 1.531 -0.381 -6.291 1.00 12.34 C ATOM 585 CG1 ILE A 35 2.623 -1.281 -6.879 1.00 34.02 C ATOM 586 CG2 ILE A 35 1.482 0.961 -7.017 1.00 15.42 C ATOM 587 CD1 ILE A 35 4.042 -0.751 -6.729 1.00 33.41 C ATOM 0 H ILE A 35 1.265 -2.151 -4.417 1.00 34.13 H new ATOM 0 HA ILE A 35 2.663 0.415 -4.640 1.00 71.11 H new ATOM 0 HB ILE A 35 0.571 -0.879 -6.432 1.00 12.34 H new ATOM 0 HG12 ILE A 35 2.564 -2.259 -6.401 1.00 34.02 H new ATOM 0 HG13 ILE A 35 2.417 -1.432 -7.939 1.00 34.02 H new ATOM 0 HG21 ILE A 35 1.324 0.793 -8.082 1.00 15.42 H new ATOM 0 HG22 ILE A 35 0.663 1.560 -6.619 1.00 15.42 H new ATOM 0 HG23 ILE A 35 2.424 1.489 -6.869 1.00 15.42 H new ATOM 0 HD11 ILE A 35 4.743 -1.456 -7.175 1.00 33.41 H new ATOM 0 HD12 ILE A 35 4.126 0.212 -7.233 1.00 33.41 H new ATOM 0 HD13 ILE A 35 4.275 -0.628 -5.671 1.00 33.41 H new ATOM 599 N ILE A 36 0.797 1.626 -3.556 1.00 11.31 N ATOM 600 CA ILE A 36 -0.252 2.379 -2.953 1.00 73.24 C ATOM 601 C ILE A 36 -0.580 3.605 -3.752 1.00 43.24 C ATOM 602 O ILE A 36 0.277 4.458 -4.002 1.00 75.35 O ATOM 603 CB ILE A 36 0.070 2.746 -1.492 1.00 73.13 C ATOM 604 CG1 ILE A 36 0.051 1.481 -0.639 1.00 15.11 C ATOM 605 CG2 ILE A 36 -0.877 3.815 -0.942 1.00 0.24 C ATOM 606 CD1 ILE A 36 0.253 1.734 0.816 1.00 50.30 C ATOM 0 H ILE A 36 1.729 2.018 -3.426 1.00 11.31 H new ATOM 0 HA ILE A 36 -1.134 1.739 -2.944 1.00 73.24 H new ATOM 0 HB ILE A 36 1.068 3.184 -1.456 1.00 73.13 H new ATOM 0 HG12 ILE A 36 -0.903 0.972 -0.781 1.00 15.11 H new ATOM 0 HG13 ILE A 36 0.829 0.804 -0.992 1.00 15.11 H new ATOM 0 HG21 ILE A 36 -0.611 4.041 0.091 1.00 0.24 H new ATOM 0 HG22 ILE A 36 -0.793 4.720 -1.544 1.00 0.24 H new ATOM 0 HG23 ILE A 36 -1.902 3.447 -0.980 1.00 0.24 H new ATOM 0 HD11 ILE A 36 0.227 0.788 1.357 1.00 50.30 H new ATOM 0 HD12 ILE A 36 1.219 2.214 0.971 1.00 50.30 H new ATOM 0 HD13 ILE A 36 -0.539 2.385 1.186 1.00 50.30 H new ATOM 618 N THR A 37 -1.806 3.679 -4.141 1.00 11.14 N ATOM 619 CA THR A 37 -2.317 4.780 -4.891 1.00 13.15 C ATOM 620 C THR A 37 -3.127 5.647 -3.931 1.00 2.02 C ATOM 621 O THR A 37 -4.091 5.161 -3.312 1.00 44.31 O ATOM 622 CB THR A 37 -3.220 4.234 -5.990 1.00 14.44 C ATOM 623 OG1 THR A 37 -2.478 3.311 -6.813 1.00 52.33 O ATOM 624 CG2 THR A 37 -3.811 5.325 -6.856 1.00 44.31 C ATOM 0 H THR A 37 -2.500 2.959 -3.943 1.00 11.14 H new ATOM 0 HA THR A 37 -1.518 5.367 -5.344 1.00 13.15 H new ATOM 0 HB THR A 37 -4.051 3.725 -5.501 1.00 14.44 H new ATOM 0 HG1 THR A 37 -3.061 2.960 -7.518 1.00 52.33 H new ATOM 0 HG21 THR A 37 -4.445 4.878 -7.622 1.00 44.31 H new ATOM 0 HG22 THR A 37 -4.406 5.997 -6.238 1.00 44.31 H new ATOM 0 HG23 THR A 37 -3.008 5.886 -7.333 1.00 44.31 H new ATOM 632 N THR A 38 -2.750 6.898 -3.783 1.00 70.33 N ATOM 633 CA THR A 38 -3.404 7.738 -2.809 1.00 42.35 C ATOM 634 C THR A 38 -4.715 8.336 -3.332 1.00 30.50 C ATOM 635 O THR A 38 -4.930 8.419 -4.545 1.00 42.40 O ATOM 636 CB THR A 38 -2.437 8.828 -2.308 1.00 53.21 C ATOM 637 OG1 THR A 38 -1.883 9.561 -3.433 1.00 23.33 O ATOM 638 CG2 THR A 38 -1.303 8.189 -1.516 1.00 34.33 C ATOM 0 H THR A 38 -2.006 7.349 -4.316 1.00 70.33 H new ATOM 0 HA THR A 38 -3.680 7.108 -1.964 1.00 42.35 H new ATOM 0 HB THR A 38 -2.988 9.516 -1.667 1.00 53.21 H new ATOM 0 HG1 THR A 38 -1.148 9.047 -3.828 1.00 23.33 H new ATOM 0 HG21 THR A 38 -0.623 8.965 -1.164 1.00 34.33 H new ATOM 0 HG22 THR A 38 -1.714 7.652 -0.661 1.00 34.33 H new ATOM 0 HG23 THR A 38 -0.760 7.493 -2.155 1.00 34.33 H new ATOM 646 N LYS A 39 -5.584 8.734 -2.405 1.00 30.43 N ATOM 647 CA LYS A 39 -6.905 9.253 -2.747 1.00 33.02 C ATOM 648 C LYS A 39 -6.893 10.709 -3.233 1.00 34.23 C ATOM 649 O LYS A 39 -7.440 10.996 -4.297 1.00 45.15 O ATOM 650 CB LYS A 39 -7.846 9.085 -1.547 1.00 10.32 C ATOM 651 CG LYS A 39 -9.272 9.541 -1.794 1.00 21.05 C ATOM 652 CD LYS A 39 -10.120 9.373 -0.550 1.00 60.03 C ATOM 653 CE LYS A 39 -11.536 9.866 -0.780 1.00 14.51 C ATOM 654 NZ LYS A 39 -12.357 9.768 0.442 1.00 55.13 N ATOM 0 H LYS A 39 -5.394 8.706 -1.403 1.00 30.43 H new ATOM 0 HA LYS A 39 -7.267 8.669 -3.593 1.00 33.02 H new ATOM 0 HB2 LYS A 39 -7.859 8.034 -1.257 1.00 10.32 H new ATOM 0 HB3 LYS A 39 -7.441 9.644 -0.703 1.00 10.32 H new ATOM 0 HG2 LYS A 39 -9.275 10.587 -2.102 1.00 21.05 H new ATOM 0 HG3 LYS A 39 -9.704 8.967 -2.613 1.00 21.05 H new ATOM 0 HD2 LYS A 39 -10.141 8.322 -0.260 1.00 60.03 H new ATOM 0 HD3 LYS A 39 -9.670 9.923 0.277 1.00 60.03 H new ATOM 0 HE2 LYS A 39 -11.510 10.902 -1.118 1.00 14.51 H new ATOM 0 HE3 LYS A 39 -11.999 9.283 -1.576 1.00 14.51 H new ATOM 0 HZ1 LYS A 39 -13.317 10.114 0.244 1.00 55.13 H new ATOM 0 HZ2 LYS A 39 -12.404 8.776 0.750 1.00 55.13 H new ATOM 0 HZ3 LYS A 39 -11.930 10.345 1.195 1.00 55.13 H new ATOM 668 N SER A 40 -6.231 11.603 -2.467 1.00 64.10 N ATOM 669 CA SER A 40 -6.163 13.050 -2.792 1.00 61.11 C ATOM 670 C SER A 40 -5.622 13.828 -1.576 1.00 40.34 C ATOM 671 O SER A 40 -4.849 14.775 -1.722 1.00 21.55 O ATOM 672 CB SER A 40 -7.563 13.616 -3.161 1.00 15.24 C ATOM 673 OG SER A 40 -7.482 14.936 -3.668 1.00 30.05 O ATOM 0 H SER A 40 -5.733 11.349 -1.614 1.00 64.10 H new ATOM 0 HA SER A 40 -5.500 13.168 -3.649 1.00 61.11 H new ATOM 0 HB2 SER A 40 -8.032 12.970 -3.903 1.00 15.24 H new ATOM 0 HB3 SER A 40 -8.203 13.605 -2.279 1.00 15.24 H new ATOM 0 HG SER A 40 -8.381 15.257 -3.890 1.00 30.05 H new ATOM 679 N VAL A 41 -6.035 13.411 -0.374 1.00 63.21 N ATOM 680 CA VAL A 41 -5.611 14.060 0.889 1.00 23.35 C ATOM 681 C VAL A 41 -4.074 14.020 1.065 1.00 2.25 C ATOM 682 O VAL A 41 -3.476 14.892 1.699 1.00 4.44 O ATOM 683 CB VAL A 41 -6.324 13.415 2.128 1.00 62.11 C ATOM 684 CG1 VAL A 41 -5.973 11.938 2.281 1.00 41.45 C ATOM 685 CG2 VAL A 41 -6.033 14.187 3.411 1.00 4.33 C ATOM 0 H VAL A 41 -6.667 12.622 -0.241 1.00 63.21 H new ATOM 0 HA VAL A 41 -5.913 15.106 0.827 1.00 23.35 H new ATOM 0 HB VAL A 41 -7.396 13.477 1.943 1.00 62.11 H new ATOM 0 HG11 VAL A 41 -6.488 11.530 3.151 1.00 41.45 H new ATOM 0 HG12 VAL A 41 -6.284 11.396 1.388 1.00 41.45 H new ATOM 0 HG13 VAL A 41 -4.896 11.832 2.414 1.00 41.45 H new ATOM 0 HG21 VAL A 41 -6.544 13.710 4.247 1.00 4.33 H new ATOM 0 HG22 VAL A 41 -4.959 14.191 3.597 1.00 4.33 H new ATOM 0 HG23 VAL A 41 -6.387 15.212 3.307 1.00 4.33 H new ATOM 695 N SER A 42 -3.464 13.026 0.478 1.00 40.02 N ATOM 696 CA SER A 42 -2.051 12.834 0.540 1.00 25.31 C ATOM 697 C SER A 42 -1.339 13.861 -0.361 1.00 34.31 C ATOM 698 O SER A 42 -1.948 14.428 -1.270 1.00 12.30 O ATOM 699 CB SER A 42 -1.771 11.443 0.042 1.00 45.24 C ATOM 700 OG SER A 42 -2.643 10.513 0.652 1.00 13.55 O ATOM 0 H SER A 42 -3.951 12.315 -0.067 1.00 40.02 H new ATOM 0 HA SER A 42 -1.688 12.966 1.559 1.00 25.31 H new ATOM 0 HB2 SER A 42 -1.892 11.407 -1.041 1.00 45.24 H new ATOM 0 HB3 SER A 42 -0.736 11.175 0.257 1.00 45.24 H new ATOM 0 HG SER A 42 -2.660 10.666 1.620 1.00 13.55 H new ATOM 706 N ARG A 43 -0.058 14.087 -0.119 1.00 14.42 N ATOM 707 CA ARG A 43 0.723 15.048 -0.918 1.00 20.13 C ATOM 708 C ARG A 43 0.988 14.547 -2.343 1.00 4.15 C ATOM 709 O ARG A 43 1.429 15.298 -3.201 1.00 63.12 O ATOM 710 CB ARG A 43 2.042 15.414 -0.227 1.00 21.22 C ATOM 711 CG ARG A 43 2.960 14.236 0.058 1.00 4.41 C ATOM 712 CD ARG A 43 4.270 14.689 0.690 1.00 1.35 C ATOM 713 NE ARG A 43 5.060 15.535 -0.213 1.00 75.33 N ATOM 714 CZ ARG A 43 6.335 15.895 -0.011 1.00 41.41 C ATOM 715 NH1 ARG A 43 6.972 15.536 1.107 1.00 71.14 N ATOM 716 NH2 ARG A 43 6.972 16.624 -0.923 1.00 1.03 N ATOM 0 H ARG A 43 0.472 13.625 0.620 1.00 14.42 H new ATOM 0 HA ARG A 43 0.112 15.947 -0.995 1.00 20.13 H new ATOM 0 HB2 ARG A 43 2.576 16.130 -0.851 1.00 21.22 H new ATOM 0 HB3 ARG A 43 1.816 15.917 0.713 1.00 21.22 H new ATOM 0 HG2 ARG A 43 2.457 13.534 0.724 1.00 4.41 H new ATOM 0 HG3 ARG A 43 3.168 13.703 -0.870 1.00 4.41 H new ATOM 0 HD2 ARG A 43 4.058 15.239 1.607 1.00 1.35 H new ATOM 0 HD3 ARG A 43 4.857 13.815 0.971 1.00 1.35 H new ATOM 0 HE ARG A 43 4.603 15.875 -1.059 1.00 75.33 H new ATOM 0 HH11 ARG A 43 6.488 14.984 1.815 1.00 71.14 H new ATOM 0 HH12 ARG A 43 7.942 15.814 1.253 1.00 71.14 H new ATOM 0 HH21 ARG A 43 6.490 16.909 -1.776 1.00 1.03 H new ATOM 0 HH22 ARG A 43 7.942 16.898 -0.770 1.00 1.03 H new ATOM 730 N TYR A 44 0.726 13.282 -2.575 1.00 72.13 N ATOM 731 CA TYR A 44 0.919 12.697 -3.884 1.00 55.01 C ATOM 732 C TYR A 44 -0.253 12.953 -4.824 1.00 22.11 C ATOM 733 O TYR A 44 -0.045 13.414 -5.940 1.00 41.52 O ATOM 734 CB TYR A 44 1.244 11.215 -3.776 1.00 15.42 C ATOM 735 CG TYR A 44 2.684 10.932 -3.422 1.00 61.20 C ATOM 736 CD1 TYR A 44 3.139 11.029 -2.127 1.00 21.31 C ATOM 737 CD2 TYR A 44 3.590 10.552 -4.402 1.00 40.40 C ATOM 738 CE1 TYR A 44 4.451 10.754 -1.813 1.00 50.30 C ATOM 739 CE2 TYR A 44 4.903 10.277 -4.095 1.00 33.14 C ATOM 740 CZ TYR A 44 5.326 10.377 -2.796 1.00 4.32 C ATOM 741 OH TYR A 44 6.630 10.090 -2.477 1.00 43.32 O ATOM 0 H TYR A 44 0.376 12.633 -1.870 1.00 72.13 H new ATOM 0 HA TYR A 44 1.777 13.198 -4.331 1.00 55.01 H new ATOM 0 HB2 TYR A 44 0.599 10.765 -3.021 1.00 15.42 H new ATOM 0 HB3 TYR A 44 1.011 10.731 -4.724 1.00 15.42 H new ATOM 0 HD1 TYR A 44 2.456 11.326 -1.345 1.00 21.31 H new ATOM 0 HD2 TYR A 44 3.258 10.470 -5.426 1.00 40.40 H new ATOM 0 HE1 TYR A 44 4.790 10.836 -0.791 1.00 50.30 H new ATOM 0 HE2 TYR A 44 5.594 9.985 -4.872 1.00 33.14 H new ATOM 0 HH TYR A 44 7.118 9.838 -3.289 1.00 43.32 H new ATOM 751 N ARG A 45 -1.472 12.667 -4.358 1.00 71.43 N ATOM 752 CA ARG A 45 -2.710 12.861 -5.152 1.00 43.00 C ATOM 753 C ARG A 45 -2.700 12.031 -6.436 1.00 12.33 C ATOM 754 O ARG A 45 -2.217 12.476 -7.474 1.00 61.23 O ATOM 755 CB ARG A 45 -2.967 14.347 -5.467 1.00 73.53 C ATOM 756 CG ARG A 45 -3.161 15.200 -4.235 1.00 1.11 C ATOM 757 CD ARG A 45 -3.376 16.656 -4.578 1.00 62.35 C ATOM 758 NE ARG A 45 -3.641 17.450 -3.376 1.00 74.34 N ATOM 759 CZ ARG A 45 -3.577 18.784 -3.297 1.00 3.12 C ATOM 760 NH1 ARG A 45 -3.204 19.502 -4.353 1.00 60.12 N ATOM 761 NH2 ARG A 45 -3.877 19.395 -2.154 1.00 51.44 N ATOM 0 H ARG A 45 -1.639 12.295 -3.423 1.00 71.43 H new ATOM 0 HA ARG A 45 -3.533 12.506 -4.531 1.00 43.00 H new ATOM 0 HB2 ARG A 45 -2.128 14.739 -6.042 1.00 73.53 H new ATOM 0 HB3 ARG A 45 -3.852 14.429 -6.099 1.00 73.53 H new ATOM 0 HG2 ARG A 45 -4.017 14.831 -3.671 1.00 1.11 H new ATOM 0 HG3 ARG A 45 -2.289 15.106 -3.588 1.00 1.11 H new ATOM 0 HD2 ARG A 45 -2.495 17.046 -5.088 1.00 62.35 H new ATOM 0 HD3 ARG A 45 -4.213 16.749 -5.271 1.00 62.35 H new ATOM 0 HE ARG A 45 -3.896 16.943 -2.528 1.00 74.34 H new ATOM 0 HH11 ARG A 45 -2.965 19.036 -5.228 1.00 60.12 H new ATOM 0 HH12 ARG A 45 -3.157 20.519 -4.287 1.00 60.12 H new ATOM 0 HH21 ARG A 45 -4.155 18.847 -1.340 1.00 51.44 H new ATOM 0 HH22 ARG A 45 -3.829 20.412 -2.091 1.00 51.44 H new ATOM 775 N GLY A 46 -3.179 10.798 -6.338 1.00 44.24 N ATOM 776 CA GLY A 46 -3.216 9.908 -7.490 1.00 52.04 C ATOM 777 C GLY A 46 -1.849 9.346 -7.833 1.00 62.10 C ATOM 778 O GLY A 46 -1.697 8.573 -8.775 1.00 70.00 O ATOM 0 H GLY A 46 -3.546 10.393 -5.477 1.00 44.24 H new ATOM 0 HA2 GLY A 46 -3.903 9.086 -7.288 1.00 52.04 H new ATOM 0 HA3 GLY A 46 -3.610 10.449 -8.351 1.00 52.04 H new ATOM 782 N GLN A 47 -0.869 9.729 -7.059 1.00 33.54 N ATOM 783 CA GLN A 47 0.479 9.283 -7.232 1.00 35.42 C ATOM 784 C GLN A 47 0.826 8.212 -6.209 1.00 2.35 C ATOM 785 O GLN A 47 0.165 8.104 -5.139 1.00 12.43 O ATOM 786 CB GLN A 47 1.481 10.439 -7.299 1.00 75.11 C ATOM 787 CG GLN A 47 1.245 11.365 -8.483 1.00 40.14 C ATOM 788 CD GLN A 47 2.248 12.492 -8.553 1.00 5.33 C ATOM 789 OE1 GLN A 47 3.303 12.370 -9.180 1.00 25.22 O ATOM 790 NE2 GLN A 47 1.942 13.586 -7.910 1.00 32.44 N ATOM 0 H GLN A 47 -0.992 10.372 -6.277 1.00 33.54 H new ATOM 0 HA GLN A 47 0.557 8.810 -8.211 1.00 35.42 H new ATOM 0 HB2 GLN A 47 1.423 11.016 -6.376 1.00 75.11 H new ATOM 0 HB3 GLN A 47 2.491 10.034 -7.358 1.00 75.11 H new ATOM 0 HG2 GLN A 47 1.290 10.786 -9.406 1.00 40.14 H new ATOM 0 HG3 GLN A 47 0.240 11.782 -8.417 1.00 40.14 H new ATOM 0 HE21 GLN A 47 1.060 13.649 -7.402 1.00 32.44 H new ATOM 0 HE22 GLN A 47 2.585 14.378 -7.915 1.00 32.44 H new ATOM 799 N GLU A 48 1.831 7.439 -6.522 1.00 11.50 N ATOM 800 CA GLU A 48 2.128 6.193 -5.835 1.00 51.23 C ATOM 801 C GLU A 48 3.058 6.319 -4.640 1.00 44.12 C ATOM 802 O GLU A 48 3.851 7.250 -4.499 1.00 21.13 O ATOM 803 CB GLU A 48 2.839 5.271 -6.803 1.00 4.03 C ATOM 804 CG GLU A 48 2.087 4.929 -8.052 1.00 72.33 C ATOM 805 CD GLU A 48 3.000 4.269 -9.048 1.00 73.13 C ATOM 806 OE1 GLU A 48 3.659 4.992 -9.821 1.00 41.43 O ATOM 807 OE2 GLU A 48 3.089 3.031 -9.081 1.00 2.52 O ATOM 0 H GLU A 48 2.484 7.655 -7.275 1.00 11.50 H new ATOM 0 HA GLU A 48 1.165 5.829 -5.478 1.00 51.23 H new ATOM 0 HB2 GLU A 48 3.785 5.733 -7.086 1.00 4.03 H new ATOM 0 HB3 GLU A 48 3.080 4.345 -6.282 1.00 4.03 H new ATOM 0 HG2 GLU A 48 1.257 4.264 -7.814 1.00 72.33 H new ATOM 0 HG3 GLU A 48 1.658 5.833 -8.485 1.00 72.33 H new ATOM 814 N HIS A 49 2.912 5.345 -3.799 1.00 3.21 N ATOM 815 CA HIS A 49 3.765 5.037 -2.682 1.00 21.15 C ATOM 816 C HIS A 49 4.094 3.599 -2.783 1.00 11.12 C ATOM 817 O HIS A 49 3.343 2.847 -3.416 1.00 51.42 O ATOM 818 CB HIS A 49 3.093 5.249 -1.351 1.00 42.53 C ATOM 819 CG HIS A 49 3.054 6.629 -0.850 1.00 44.53 C ATOM 820 ND1 HIS A 49 4.001 7.115 0.013 1.00 22.11 N ATOM 821 CD2 HIS A 49 2.149 7.606 -1.004 1.00 23.33 C ATOM 822 CE1 HIS A 49 3.677 8.321 0.378 1.00 33.54 C ATOM 823 NE2 HIS A 49 2.556 8.649 -0.224 1.00 0.24 N ATOM 0 H HIS A 49 2.134 4.690 -3.877 1.00 3.21 H new ATOM 0 HA HIS A 49 4.634 5.694 -2.724 1.00 21.15 H new ATOM 0 HB2 HIS A 49 2.069 4.883 -1.424 1.00 42.53 H new ATOM 0 HB3 HIS A 49 3.600 4.631 -0.610 1.00 42.53 H new ATOM 0 HD2 HIS A 49 1.267 7.574 -1.626 1.00 23.33 H new ATOM 0 HE1 HIS A 49 4.235 8.946 1.060 1.00 33.54 H new ATOM 0 HE2 HIS A 49 2.069 9.540 -0.124 1.00 0.24 H new ATOM 832 N CYS A 50 5.157 3.185 -2.199 1.00 73.52 N ATOM 833 CA CYS A 50 5.498 1.799 -2.272 1.00 64.31 C ATOM 834 C CYS A 50 5.891 1.251 -0.931 1.00 25.34 C ATOM 835 O CYS A 50 6.519 1.940 -0.116 1.00 74.21 O ATOM 836 CB CYS A 50 6.576 1.537 -3.335 1.00 41.12 C ATOM 837 SG CYS A 50 8.118 2.498 -3.118 1.00 44.52 S ATOM 0 H CYS A 50 5.803 3.770 -1.670 1.00 73.52 H new ATOM 0 HA CYS A 50 4.602 1.262 -2.584 1.00 64.31 H new ATOM 0 HB2 CYS A 50 6.822 0.475 -3.328 1.00 41.12 H new ATOM 0 HB3 CYS A 50 6.160 1.761 -4.317 1.00 41.12 H new ATOM 0 HG CYS A 50 8.954 2.196 -4.066 1.00 44.52 H new ATOM 842 N LEU A 51 5.460 0.047 -0.682 1.00 3.13 N ATOM 843 CA LEU A 51 5.826 -0.682 0.489 1.00 44.50 C ATOM 844 C LEU A 51 6.420 -1.978 0.099 1.00 11.42 C ATOM 845 O LEU A 51 6.004 -2.614 -0.882 1.00 71.33 O ATOM 846 CB LEU A 51 4.668 -0.869 1.474 1.00 12.31 C ATOM 847 CG LEU A 51 4.260 0.371 2.241 1.00 32.42 C ATOM 848 CD1 LEU A 51 2.982 0.117 3.024 1.00 45.03 C ATOM 849 CD2 LEU A 51 5.370 0.793 3.198 1.00 34.24 C ATOM 0 H LEU A 51 4.831 -0.462 -1.303 1.00 3.13 H new ATOM 0 HA LEU A 51 6.567 -0.089 1.025 1.00 44.50 H new ATOM 0 HB2 LEU A 51 3.802 -1.237 0.924 1.00 12.31 H new ATOM 0 HB3 LEU A 51 4.944 -1.644 2.190 1.00 12.31 H new ATOM 0 HG LEU A 51 4.083 1.172 1.523 1.00 32.42 H new ATOM 0 HD11 LEU A 51 2.704 1.019 3.569 1.00 45.03 H new ATOM 0 HD12 LEU A 51 2.181 -0.152 2.336 1.00 45.03 H new ATOM 0 HD13 LEU A 51 3.143 -0.698 3.730 1.00 45.03 H new ATOM 0 HD21 LEU A 51 5.062 1.686 3.742 1.00 34.24 H new ATOM 0 HD22 LEU A 51 5.567 -0.013 3.905 1.00 34.24 H new ATOM 0 HD23 LEU A 51 6.276 1.008 2.632 1.00 34.24 H new ATOM 861 N HIS A 52 7.388 -2.354 0.833 1.00 32.12 N ATOM 862 CA HIS A 52 8.131 -3.547 0.569 1.00 71.43 C ATOM 863 C HIS A 52 7.665 -4.651 1.538 1.00 54.33 C ATOM 864 O HIS A 52 8.045 -4.665 2.702 1.00 54.43 O ATOM 865 CB HIS A 52 9.627 -3.227 0.694 1.00 71.11 C ATOM 866 CG HIS A 52 10.559 -4.329 0.343 1.00 2.04 C ATOM 867 ND1 HIS A 52 11.338 -4.963 1.268 1.00 74.12 N ATOM 868 CD2 HIS A 52 10.871 -4.886 -0.852 1.00 41.31 C ATOM 869 CE1 HIS A 52 12.077 -5.857 0.671 1.00 53.15 C ATOM 870 NE2 HIS A 52 11.818 -5.834 -0.613 1.00 71.41 N ATOM 0 H HIS A 52 7.705 -1.840 1.655 1.00 32.12 H new ATOM 0 HA HIS A 52 7.958 -3.916 -0.442 1.00 71.43 H new ATOM 0 HB2 HIS A 52 9.850 -2.372 0.056 1.00 71.11 H new ATOM 0 HB3 HIS A 52 9.828 -2.920 1.720 1.00 71.11 H new ATOM 0 HD2 HIS A 52 10.449 -4.627 -1.812 1.00 41.31 H new ATOM 0 HE1 HIS A 52 12.787 -6.510 1.156 1.00 53.15 H new ATOM 0 HE2 HIS A 52 12.254 -6.429 -1.318 1.00 71.41 H new ATOM 879 N PRO A 53 6.830 -5.592 1.036 1.00 52.25 N ATOM 880 CA PRO A 53 6.123 -6.624 1.853 1.00 32.31 C ATOM 881 C PRO A 53 6.996 -7.689 2.495 1.00 33.35 C ATOM 882 O PRO A 53 6.498 -8.716 2.918 1.00 21.31 O ATOM 883 CB PRO A 53 5.199 -7.282 0.855 1.00 5.45 C ATOM 884 CG PRO A 53 5.865 -7.090 -0.444 1.00 51.03 C ATOM 885 CD PRO A 53 6.485 -5.735 -0.384 1.00 40.53 C ATOM 0 HA PRO A 53 5.649 -6.139 2.706 1.00 32.31 H new ATOM 0 HB2 PRO A 53 5.062 -8.340 1.078 1.00 5.45 H new ATOM 0 HB3 PRO A 53 4.210 -6.823 0.866 1.00 5.45 H new ATOM 0 HG2 PRO A 53 6.619 -7.858 -0.615 1.00 51.03 H new ATOM 0 HG3 PRO A 53 5.150 -7.157 -1.264 1.00 51.03 H new ATOM 0 HD2 PRO A 53 7.366 -5.666 -1.022 1.00 40.53 H new ATOM 0 HD3 PRO A 53 5.792 -4.959 -0.711 1.00 40.53 H new ATOM 893 N LYS A 54 8.257 -7.454 2.567 1.00 24.41 N ATOM 894 CA LYS A 54 9.144 -8.361 3.232 1.00 74.11 C ATOM 895 C LYS A 54 9.109 -8.106 4.750 1.00 51.22 C ATOM 896 O LYS A 54 9.583 -8.914 5.550 1.00 75.21 O ATOM 897 CB LYS A 54 10.524 -8.203 2.661 1.00 52.31 C ATOM 898 CG LYS A 54 10.569 -8.609 1.202 1.00 52.45 C ATOM 899 CD LYS A 54 10.429 -10.095 1.018 1.00 44.24 C ATOM 900 CE LYS A 54 10.242 -10.455 -0.441 1.00 40.44 C ATOM 901 NZ LYS A 54 10.320 -11.915 -0.635 1.00 0.32 N ATOM 0 H LYS A 54 8.710 -6.631 2.170 1.00 24.41 H new ATOM 0 HA LYS A 54 8.828 -9.392 3.071 1.00 74.11 H new ATOM 0 HB2 LYS A 54 10.844 -7.166 2.762 1.00 52.31 H new ATOM 0 HB3 LYS A 54 11.227 -8.811 3.231 1.00 52.31 H new ATOM 0 HG2 LYS A 54 9.770 -8.101 0.661 1.00 52.45 H new ATOM 0 HG3 LYS A 54 11.511 -8.278 0.764 1.00 52.45 H new ATOM 0 HD2 LYS A 54 11.315 -10.597 1.408 1.00 44.24 H new ATOM 0 HD3 LYS A 54 9.578 -10.456 1.596 1.00 44.24 H new ATOM 0 HE2 LYS A 54 9.276 -10.088 -0.790 1.00 40.44 H new ATOM 0 HE3 LYS A 54 11.006 -9.962 -1.042 1.00 40.44 H new ATOM 0 HZ1 LYS A 54 9.882 -12.168 -1.544 1.00 0.32 H new ATOM 0 HZ2 LYS A 54 11.317 -12.212 -0.636 1.00 0.32 H new ATOM 0 HZ3 LYS A 54 9.816 -12.395 0.138 1.00 0.32 H new ATOM 915 N LEU A 55 8.534 -6.959 5.121 1.00 62.32 N ATOM 916 CA LEU A 55 8.375 -6.553 6.510 1.00 12.11 C ATOM 917 C LEU A 55 7.008 -6.987 7.043 1.00 1.22 C ATOM 918 O LEU A 55 5.998 -6.929 6.326 1.00 4.03 O ATOM 919 CB LEU A 55 8.511 -5.032 6.627 1.00 63.53 C ATOM 920 CG LEU A 55 9.866 -4.446 6.241 1.00 70.34 C ATOM 921 CD1 LEU A 55 9.826 -2.934 6.319 1.00 73.43 C ATOM 922 CD2 LEU A 55 10.962 -4.987 7.144 1.00 61.22 C ATOM 0 H LEU A 55 8.163 -6.282 4.454 1.00 62.32 H new ATOM 0 HA LEU A 55 9.153 -7.035 7.102 1.00 12.11 H new ATOM 0 HB2 LEU A 55 7.747 -4.570 6.001 1.00 63.53 H new ATOM 0 HB3 LEU A 55 8.295 -4.747 7.657 1.00 63.53 H new ATOM 0 HG LEU A 55 10.087 -4.741 5.215 1.00 70.34 H new ATOM 0 HD11 LEU A 55 10.799 -2.529 6.041 1.00 73.43 H new ATOM 0 HD12 LEU A 55 9.067 -2.554 5.635 1.00 73.43 H new ATOM 0 HD13 LEU A 55 9.583 -2.628 7.337 1.00 73.43 H new ATOM 0 HD21 LEU A 55 11.920 -4.557 6.852 1.00 61.22 H new ATOM 0 HD22 LEU A 55 10.745 -4.721 8.179 1.00 61.22 H new ATOM 0 HD23 LEU A 55 11.008 -6.072 7.050 1.00 61.22 H new ATOM 934 N GLN A 56 6.978 -7.400 8.304 1.00 22.32 N ATOM 935 CA GLN A 56 5.763 -7.898 8.959 1.00 72.33 C ATOM 936 C GLN A 56 4.677 -6.822 9.095 1.00 61.42 C ATOM 937 O GLN A 56 3.479 -7.135 9.072 1.00 2.53 O ATOM 938 CB GLN A 56 6.099 -8.510 10.326 1.00 13.44 C ATOM 939 CG GLN A 56 6.749 -7.540 11.297 1.00 51.33 C ATOM 940 CD GLN A 56 7.143 -8.181 12.595 1.00 5.01 C ATOM 941 OE1 GLN A 56 6.363 -8.215 13.551 1.00 2.55 O ATOM 942 NE2 GLN A 56 8.342 -8.701 12.644 1.00 21.33 N ATOM 0 H GLN A 56 7.799 -7.401 8.910 1.00 22.32 H new ATOM 0 HA GLN A 56 5.352 -8.675 8.314 1.00 72.33 H new ATOM 0 HB2 GLN A 56 5.184 -8.897 10.774 1.00 13.44 H new ATOM 0 HB3 GLN A 56 6.765 -9.360 10.178 1.00 13.44 H new ATOM 0 HG2 GLN A 56 7.633 -7.106 10.830 1.00 51.33 H new ATOM 0 HG3 GLN A 56 6.060 -6.720 11.498 1.00 51.33 H new ATOM 0 HE21 GLN A 56 8.954 -8.650 11.829 1.00 21.33 H new ATOM 0 HE22 GLN A 56 8.665 -9.158 13.497 1.00 21.33 H new ATOM 951 N SER A 57 5.095 -5.565 9.217 1.00 1.31 N ATOM 952 CA SER A 57 4.158 -4.461 9.356 1.00 64.41 C ATOM 953 C SER A 57 3.341 -4.299 8.081 1.00 50.12 C ATOM 954 O SER A 57 2.144 -3.944 8.130 1.00 14.21 O ATOM 955 CB SER A 57 4.907 -3.158 9.683 1.00 42.13 C ATOM 956 OG SER A 57 4.013 -2.059 9.862 1.00 21.42 O ATOM 0 H SER A 57 6.077 -5.289 9.222 1.00 1.31 H new ATOM 0 HA SER A 57 3.479 -4.683 10.179 1.00 64.41 H new ATOM 0 HB2 SER A 57 5.498 -3.297 10.589 1.00 42.13 H new ATOM 0 HB3 SER A 57 5.606 -2.930 8.878 1.00 42.13 H new ATOM 0 HG SER A 57 4.526 -1.250 10.070 1.00 21.42 H new ATOM 962 N THR A 58 3.968 -4.586 6.950 1.00 14.52 N ATOM 963 CA THR A 58 3.328 -4.463 5.680 1.00 31.32 C ATOM 964 C THR A 58 2.151 -5.452 5.575 1.00 33.22 C ATOM 965 O THR A 58 1.095 -5.098 5.069 1.00 24.24 O ATOM 966 CB THR A 58 4.336 -4.698 4.547 1.00 15.24 C ATOM 967 OG1 THR A 58 5.489 -3.866 4.779 1.00 60.24 O ATOM 968 CG2 THR A 58 3.723 -4.320 3.206 1.00 62.33 C ATOM 0 H THR A 58 4.934 -4.909 6.903 1.00 14.52 H new ATOM 0 HA THR A 58 2.936 -3.451 5.584 1.00 31.32 H new ATOM 0 HB THR A 58 4.615 -5.752 4.527 1.00 15.24 H new ATOM 0 HG1 THR A 58 6.143 -4.007 4.063 1.00 60.24 H new ATOM 0 HG21 THR A 58 4.450 -4.492 2.412 1.00 62.33 H new ATOM 0 HG22 THR A 58 2.838 -4.930 3.026 1.00 62.33 H new ATOM 0 HG23 THR A 58 3.442 -3.267 3.218 1.00 62.33 H new ATOM 976 N LYS A 59 2.333 -6.685 6.099 1.00 3.23 N ATOM 977 CA LYS A 59 1.257 -7.687 6.100 1.00 44.34 C ATOM 978 C LYS A 59 0.020 -7.163 6.753 1.00 35.11 C ATOM 979 O LYS A 59 -1.064 -7.272 6.187 1.00 74.42 O ATOM 980 CB LYS A 59 1.658 -9.019 6.747 1.00 54.21 C ATOM 981 CG LYS A 59 2.589 -9.892 5.921 1.00 30.15 C ATOM 982 CD LYS A 59 3.966 -9.298 5.734 1.00 33.02 C ATOM 983 CE LYS A 59 4.878 -10.236 4.960 1.00 24.12 C ATOM 984 NZ LYS A 59 4.368 -10.528 3.604 1.00 70.23 N ATOM 0 H LYS A 59 3.206 -7.002 6.521 1.00 3.23 H new ATOM 0 HA LYS A 59 1.055 -7.888 5.048 1.00 44.34 H new ATOM 0 HB2 LYS A 59 2.138 -8.809 7.703 1.00 54.21 H new ATOM 0 HB3 LYS A 59 0.752 -9.586 6.963 1.00 54.21 H new ATOM 0 HG2 LYS A 59 2.684 -10.865 6.403 1.00 30.15 H new ATOM 0 HG3 LYS A 59 2.140 -10.064 4.943 1.00 30.15 H new ATOM 0 HD2 LYS A 59 3.885 -8.349 5.204 1.00 33.02 H new ATOM 0 HD3 LYS A 59 4.406 -9.083 6.708 1.00 33.02 H new ATOM 0 HE2 LYS A 59 5.871 -9.792 4.884 1.00 24.12 H new ATOM 0 HE3 LYS A 59 4.988 -11.169 5.512 1.00 24.12 H new ATOM 0 HZ1 LYS A 59 4.113 -11.534 3.538 1.00 70.23 H new ATOM 0 HZ2 LYS A 59 3.528 -9.945 3.416 1.00 70.23 H new ATOM 0 HZ3 LYS A 59 5.104 -10.311 2.902 1.00 70.23 H new ATOM 998 N ARG A 60 0.165 -6.561 7.927 1.00 24.32 N ATOM 999 CA ARG A 60 -0.970 -6.006 8.585 1.00 52.04 C ATOM 1000 C ARG A 60 -1.576 -4.894 7.823 1.00 51.22 C ATOM 1001 O ARG A 60 -2.746 -4.867 7.693 1.00 34.20 O ATOM 1002 CB ARG A 60 -0.736 -5.602 10.031 1.00 31.41 C ATOM 1003 CG ARG A 60 -0.832 -6.736 11.027 1.00 20.05 C ATOM 1004 CD ARG A 60 0.332 -7.709 10.903 1.00 53.21 C ATOM 1005 NE ARG A 60 0.167 -8.883 11.761 1.00 4.14 N ATOM 1006 CZ ARG A 60 1.154 -9.523 12.402 1.00 4.24 C ATOM 1007 NH1 ARG A 60 2.392 -9.039 12.395 1.00 30.15 N ATOM 1008 NH2 ARG A 60 0.892 -10.640 13.064 1.00 72.40 N ATOM 0 H ARG A 60 1.050 -6.455 8.422 1.00 24.32 H new ATOM 0 HA ARG A 60 -1.680 -6.832 8.619 1.00 52.04 H new ATOM 0 HB2 ARG A 60 0.252 -5.148 10.112 1.00 31.41 H new ATOM 0 HB3 ARG A 60 -1.462 -4.836 10.302 1.00 31.41 H new ATOM 0 HG2 ARG A 60 -0.857 -6.329 12.038 1.00 20.05 H new ATOM 0 HG3 ARG A 60 -1.769 -7.272 10.876 1.00 20.05 H new ATOM 0 HD2 ARG A 60 0.426 -8.030 9.866 1.00 53.21 H new ATOM 0 HD3 ARG A 60 1.259 -7.198 11.164 1.00 53.21 H new ATOM 0 HE ARG A 60 -0.779 -9.244 11.881 1.00 4.14 H new ATOM 0 HH11 ARG A 60 2.598 -8.172 11.898 1.00 30.15 H new ATOM 0 HH12 ARG A 60 3.136 -9.534 12.886 1.00 30.15 H new ATOM 0 HH21 ARG A 60 -0.058 -11.010 13.084 1.00 72.40 H new ATOM 0 HH22 ARG A 60 1.641 -11.130 13.553 1.00 72.40 H new ATOM 1022 N PHE A 61 -0.768 -4.007 7.272 1.00 51.42 N ATOM 1023 CA PHE A 61 -1.302 -2.860 6.546 1.00 23.45 C ATOM 1024 C PHE A 61 -2.141 -3.355 5.360 1.00 73.21 C ATOM 1025 O PHE A 61 -3.184 -2.806 5.059 1.00 43.14 O ATOM 1026 CB PHE A 61 -0.174 -1.962 6.043 1.00 60.24 C ATOM 1027 CG PHE A 61 -0.613 -0.552 5.614 1.00 4.20 C ATOM 1028 CD1 PHE A 61 -1.043 -0.286 4.319 1.00 50.12 C ATOM 1029 CD2 PHE A 61 -0.582 0.509 6.529 1.00 2.31 C ATOM 1030 CE1 PHE A 61 -1.427 1.000 3.948 1.00 54.33 C ATOM 1031 CE2 PHE A 61 -0.974 1.796 6.156 1.00 64.43 C ATOM 1032 CZ PHE A 61 -1.392 2.037 4.870 1.00 42.42 C ATOM 0 H PHE A 61 0.250 -4.053 7.310 1.00 51.42 H new ATOM 0 HA PHE A 61 -1.927 -2.277 7.223 1.00 23.45 H new ATOM 0 HB2 PHE A 61 0.576 -1.870 6.829 1.00 60.24 H new ATOM 0 HB3 PHE A 61 0.309 -2.450 5.197 1.00 60.24 H new ATOM 0 HD1 PHE A 61 -1.080 -1.085 3.593 1.00 50.12 H new ATOM 0 HD2 PHE A 61 -0.249 0.328 7.540 1.00 2.31 H new ATOM 0 HE1 PHE A 61 -1.754 1.192 2.937 1.00 54.33 H new ATOM 0 HE2 PHE A 61 -0.949 2.600 6.877 1.00 64.43 H new ATOM 0 HZ PHE A 61 -1.693 3.032 4.577 1.00 42.42 H new ATOM 1042 N ILE A 62 -1.678 -4.422 4.718 1.00 62.31 N ATOM 1043 CA ILE A 62 -2.387 -5.008 3.590 1.00 52.01 C ATOM 1044 C ILE A 62 -3.664 -5.685 4.060 1.00 53.55 C ATOM 1045 O ILE A 62 -4.750 -5.417 3.541 1.00 4.14 O ATOM 1046 CB ILE A 62 -1.526 -6.049 2.823 1.00 33.31 C ATOM 1047 CG1 ILE A 62 -0.207 -5.433 2.362 1.00 10.23 C ATOM 1048 CG2 ILE A 62 -2.294 -6.615 1.634 1.00 3.12 C ATOM 1049 CD1 ILE A 62 -0.379 -4.174 1.567 1.00 72.20 C ATOM 0 H ILE A 62 -0.810 -4.899 4.962 1.00 62.31 H new ATOM 0 HA ILE A 62 -2.618 -4.188 2.911 1.00 52.01 H new ATOM 0 HB ILE A 62 -1.300 -6.866 3.508 1.00 33.31 H new ATOM 0 HG12 ILE A 62 0.410 -5.220 3.235 1.00 10.23 H new ATOM 0 HG13 ILE A 62 0.334 -6.162 1.759 1.00 10.23 H new ATOM 0 HG21 ILE A 62 -1.672 -7.342 1.112 1.00 3.12 H new ATOM 0 HG22 ILE A 62 -3.203 -7.102 1.987 1.00 3.12 H new ATOM 0 HG23 ILE A 62 -2.557 -5.806 0.952 1.00 3.12 H new ATOM 0 HD11 ILE A 62 0.599 -3.793 1.273 1.00 72.20 H new ATOM 0 HD12 ILE A 62 -0.969 -4.385 0.675 1.00 72.20 H new ATOM 0 HD13 ILE A 62 -0.892 -3.428 2.174 1.00 72.20 H new ATOM 1061 N LYS A 63 -3.536 -6.550 5.053 1.00 54.52 N ATOM 1062 CA LYS A 63 -4.713 -7.282 5.599 1.00 33.35 C ATOM 1063 C LYS A 63 -5.731 -6.316 6.194 1.00 72.23 C ATOM 1064 O LYS A 63 -6.944 -6.526 6.106 1.00 62.24 O ATOM 1065 CB LYS A 63 -4.303 -8.335 6.663 1.00 1.45 C ATOM 1066 CG LYS A 63 -3.809 -9.746 6.189 1.00 73.34 C ATOM 1067 CD LYS A 63 -2.606 -9.764 5.229 1.00 52.14 C ATOM 1068 CE LYS A 63 -3.000 -9.456 3.788 1.00 54.43 C ATOM 1069 NZ LYS A 63 -3.909 -10.482 3.234 1.00 11.42 N ATOM 0 H LYS A 63 -2.650 -6.774 5.506 1.00 54.52 H new ATOM 0 HA LYS A 63 -5.169 -7.809 4.761 1.00 33.35 H new ATOM 0 HB2 LYS A 63 -3.511 -7.897 7.271 1.00 1.45 H new ATOM 0 HB3 LYS A 63 -5.160 -8.490 7.319 1.00 1.45 H new ATOM 0 HG2 LYS A 63 -3.551 -10.331 7.071 1.00 73.34 H new ATOM 0 HG3 LYS A 63 -4.642 -10.254 5.702 1.00 73.34 H new ATOM 0 HD2 LYS A 63 -1.868 -9.035 5.564 1.00 52.14 H new ATOM 0 HD3 LYS A 63 -2.128 -10.743 5.270 1.00 52.14 H new ATOM 0 HE2 LYS A 63 -3.484 -8.480 3.745 1.00 54.43 H new ATOM 0 HE3 LYS A 63 -2.103 -9.394 3.172 1.00 54.43 H new ATOM 0 HZ1 LYS A 63 -3.874 -10.452 2.195 1.00 11.42 H new ATOM 0 HZ2 LYS A 63 -3.612 -11.423 3.563 1.00 11.42 H new ATOM 0 HZ3 LYS A 63 -4.881 -10.294 3.553 1.00 11.42 H new ATOM 1083 N TRP A 64 -5.227 -5.257 6.755 1.00 24.45 N ATOM 1084 CA TRP A 64 -6.028 -4.258 7.409 1.00 23.21 C ATOM 1085 C TRP A 64 -6.723 -3.419 6.334 1.00 32.31 C ATOM 1086 O TRP A 64 -7.917 -3.108 6.452 1.00 41.13 O ATOM 1087 CB TRP A 64 -5.104 -3.374 8.243 1.00 34.41 C ATOM 1088 CG TRP A 64 -5.669 -2.829 9.504 1.00 10.32 C ATOM 1089 CD1 TRP A 64 -5.379 -3.271 10.769 1.00 32.35 C ATOM 1090 CD2 TRP A 64 -6.594 -1.748 9.650 1.00 53.11 C ATOM 1091 NE1 TRP A 64 -6.075 -2.525 11.689 1.00 1.32 N ATOM 1092 CE2 TRP A 64 -6.826 -1.582 11.025 1.00 52.02 C ATOM 1093 CE3 TRP A 64 -7.248 -0.901 8.750 1.00 13.31 C ATOM 1094 CZ2 TRP A 64 -7.681 -0.606 11.518 1.00 63.43 C ATOM 1095 CZ3 TRP A 64 -8.095 0.064 9.242 1.00 43.44 C ATOM 1096 CH2 TRP A 64 -8.304 0.205 10.613 1.00 52.53 C ATOM 0 H TRP A 64 -4.227 -5.057 6.773 1.00 24.45 H new ATOM 0 HA TRP A 64 -6.777 -4.715 8.055 1.00 23.21 H new ATOM 0 HB2 TRP A 64 -4.212 -3.950 8.490 1.00 34.41 H new ATOM 0 HB3 TRP A 64 -4.782 -2.537 7.624 1.00 34.41 H new ATOM 0 HD1 TRP A 64 -4.706 -4.082 11.006 1.00 32.35 H new ATOM 0 HE1 TRP A 64 -6.041 -2.650 12.701 1.00 1.32 H new ATOM 0 HE3 TRP A 64 -7.091 -1.003 7.686 1.00 13.31 H new ATOM 0 HZ2 TRP A 64 -7.848 -0.492 12.579 1.00 63.43 H new ATOM 0 HZ3 TRP A 64 -8.606 0.723 8.556 1.00 43.44 H new ATOM 0 HH2 TRP A 64 -8.974 0.974 10.968 1.00 52.53 H new ATOM 1107 N TYR A 65 -5.972 -3.067 5.258 1.00 74.03 N ATOM 1108 CA TYR A 65 -6.539 -2.285 4.176 1.00 1.10 C ATOM 1109 C TYR A 65 -7.667 -3.030 3.508 1.00 63.41 C ATOM 1110 O TYR A 65 -8.666 -2.444 3.174 1.00 61.34 O ATOM 1111 CB TYR A 65 -5.499 -1.850 3.125 1.00 14.21 C ATOM 1112 CG TYR A 65 -6.117 -0.982 2.033 1.00 24.13 C ATOM 1113 CD1 TYR A 65 -6.457 0.334 2.289 1.00 1.33 C ATOM 1114 CD2 TYR A 65 -6.400 -1.492 0.768 1.00 33.04 C ATOM 1115 CE1 TYR A 65 -7.052 1.120 1.322 1.00 11.22 C ATOM 1116 CE2 TYR A 65 -7.002 -0.703 -0.197 1.00 74.21 C ATOM 1117 CZ TYR A 65 -7.322 0.595 0.092 1.00 13.24 C ATOM 1118 OH TYR A 65 -7.928 1.374 -0.854 1.00 45.11 O ATOM 0 H TYR A 65 -4.991 -3.317 5.135 1.00 74.03 H new ATOM 0 HA TYR A 65 -6.924 -1.375 4.635 1.00 1.10 H new ATOM 0 HB2 TYR A 65 -4.697 -1.299 3.616 1.00 14.21 H new ATOM 0 HB3 TYR A 65 -5.048 -2.734 2.674 1.00 14.21 H new ATOM 0 HD1 TYR A 65 -6.253 0.754 3.263 1.00 1.33 H new ATOM 0 HD2 TYR A 65 -6.146 -2.516 0.537 1.00 33.04 H new ATOM 0 HE1 TYR A 65 -7.303 2.148 1.539 1.00 11.22 H new ATOM 0 HE2 TYR A 65 -7.218 -1.110 -1.174 1.00 74.21 H new ATOM 0 HH TYR A 65 -7.678 2.311 -0.715 1.00 45.11 H new ATOM 1128 N ASN A 66 -7.505 -4.329 3.329 1.00 22.14 N ATOM 1129 CA ASN A 66 -8.558 -5.151 2.719 1.00 25.21 C ATOM 1130 C ASN A 66 -9.869 -5.081 3.486 1.00 3.24 C ATOM 1131 O ASN A 66 -10.942 -4.973 2.878 1.00 71.35 O ATOM 1132 CB ASN A 66 -8.107 -6.600 2.476 1.00 71.12 C ATOM 1133 CG ASN A 66 -7.230 -6.746 1.241 1.00 41.53 C ATOM 1134 OD1 ASN A 66 -7.733 -6.981 0.140 1.00 54.33 O ATOM 1135 ND2 ASN A 66 -5.943 -6.596 1.389 1.00 24.14 N ATOM 0 H ASN A 66 -6.664 -4.843 3.592 1.00 22.14 H new ATOM 0 HA ASN A 66 -8.749 -4.717 1.738 1.00 25.21 H new ATOM 0 HB2 ASN A 66 -7.560 -6.956 3.349 1.00 71.12 H new ATOM 0 HB3 ASN A 66 -8.986 -7.236 2.369 1.00 71.12 H new ATOM 0 HD21 ASN A 66 -5.324 -6.672 0.582 1.00 24.14 H new ATOM 0 HD22 ASN A 66 -5.555 -6.402 2.312 1.00 24.14 H new ATOM 1142 N ALA A 67 -9.782 -5.088 4.812 1.00 60.25 N ATOM 1143 CA ALA A 67 -10.967 -4.964 5.657 1.00 34.15 C ATOM 1144 C ALA A 67 -11.541 -3.560 5.522 1.00 42.53 C ATOM 1145 O ALA A 67 -12.725 -3.379 5.252 1.00 60.52 O ATOM 1146 CB ALA A 67 -10.604 -5.231 7.109 1.00 21.31 C ATOM 0 H ALA A 67 -8.905 -5.178 5.325 1.00 60.25 H new ATOM 0 HA ALA A 67 -11.711 -5.695 5.339 1.00 34.15 H new ATOM 0 HB1 ALA A 67 -11.495 -5.136 7.730 1.00 21.31 H new ATOM 0 HB2 ALA A 67 -10.201 -6.239 7.204 1.00 21.31 H new ATOM 0 HB3 ALA A 67 -9.855 -4.509 7.435 1.00 21.31 H new ATOM 1152 N TRP A 68 -10.668 -2.580 5.678 1.00 15.03 N ATOM 1153 CA TRP A 68 -10.997 -1.162 5.551 1.00 2.02 C ATOM 1154 C TRP A 68 -11.627 -0.835 4.191 1.00 52.20 C ATOM 1155 O TRP A 68 -12.591 -0.068 4.101 1.00 74.43 O ATOM 1156 CB TRP A 68 -9.719 -0.337 5.789 1.00 61.00 C ATOM 1157 CG TRP A 68 -9.736 1.044 5.216 1.00 23.21 C ATOM 1158 CD1 TRP A 68 -9.037 1.454 4.129 1.00 51.41 C ATOM 1159 CD2 TRP A 68 -10.483 2.178 5.655 1.00 32.12 C ATOM 1160 NE1 TRP A 68 -9.280 2.764 3.873 1.00 22.12 N ATOM 1161 CE2 TRP A 68 -10.165 3.236 4.786 1.00 61.24 C ATOM 1162 CE3 TRP A 68 -11.385 2.410 6.693 1.00 4.23 C ATOM 1163 CZ2 TRP A 68 -10.708 4.493 4.913 1.00 12.34 C ATOM 1164 CZ3 TRP A 68 -11.927 3.672 6.816 1.00 42.33 C ATOM 1165 CH2 TRP A 68 -11.580 4.695 5.923 1.00 13.45 C ATOM 0 H TRP A 68 -9.687 -2.747 5.902 1.00 15.03 H new ATOM 0 HA TRP A 68 -11.746 -0.905 6.300 1.00 2.02 H new ATOM 0 HB2 TRP A 68 -9.547 -0.265 6.863 1.00 61.00 H new ATOM 0 HB3 TRP A 68 -8.873 -0.878 5.366 1.00 61.00 H new ATOM 0 HD1 TRP A 68 -8.379 0.825 3.548 1.00 51.41 H new ATOM 0 HE1 TRP A 68 -8.864 3.306 3.116 1.00 22.12 H new ATOM 0 HE3 TRP A 68 -11.652 1.622 7.382 1.00 4.23 H new ATOM 0 HZ2 TRP A 68 -10.447 5.288 4.231 1.00 12.34 H new ATOM 0 HZ3 TRP A 68 -12.629 3.875 7.612 1.00 42.33 H new ATOM 0 HH2 TRP A 68 -12.023 5.672 6.047 1.00 13.45 H new ATOM 1176 N ASN A 69 -11.101 -1.438 3.167 1.00 12.33 N ATOM 1177 CA ASN A 69 -11.561 -1.229 1.814 1.00 65.04 C ATOM 1178 C ASN A 69 -12.998 -1.724 1.640 1.00 55.51 C ATOM 1179 O ASN A 69 -13.792 -1.122 0.929 1.00 53.20 O ATOM 1180 CB ASN A 69 -10.584 -1.876 0.826 1.00 60.22 C ATOM 1181 CG ASN A 69 -10.961 -1.678 -0.609 1.00 42.04 C ATOM 1182 OD1 ASN A 69 -10.618 -0.662 -1.219 1.00 21.44 O ATOM 1183 ND2 ASN A 69 -11.593 -2.650 -1.179 1.00 35.24 N ATOM 0 H ASN A 69 -10.329 -2.100 3.242 1.00 12.33 H new ATOM 0 HA ASN A 69 -11.581 -0.160 1.600 1.00 65.04 H new ATOM 0 HB2 ASN A 69 -9.588 -1.465 0.991 1.00 60.22 H new ATOM 0 HB3 ASN A 69 -10.526 -2.945 1.033 1.00 60.22 H new ATOM 0 HD21 ASN A 69 -11.827 -2.595 -2.170 1.00 35.24 H new ATOM 0 HD22 ASN A 69 -11.858 -3.473 -0.638 1.00 35.24 H new ATOM 1190 N GLU A 70 -13.328 -2.802 2.302 1.00 53.00 N ATOM 1191 CA GLU A 70 -14.696 -3.289 2.317 1.00 33.22 C ATOM 1192 C GLU A 70 -15.548 -2.480 3.276 1.00 63.30 C ATOM 1193 O GLU A 70 -16.729 -2.413 3.123 1.00 43.11 O ATOM 1194 CB GLU A 70 -14.774 -4.759 2.647 1.00 14.43 C ATOM 1195 CG GLU A 70 -14.102 -5.654 1.647 1.00 34.23 C ATOM 1196 CD GLU A 70 -14.251 -7.092 2.020 1.00 2.01 C ATOM 1197 OE1 GLU A 70 -15.301 -7.688 1.717 1.00 50.45 O ATOM 1198 OE2 GLU A 70 -13.330 -7.657 2.626 1.00 64.21 O ATOM 0 H GLU A 70 -12.671 -3.366 2.842 1.00 53.00 H new ATOM 0 HA GLU A 70 -15.090 -3.162 1.309 1.00 33.22 H new ATOM 0 HB2 GLU A 70 -14.323 -4.924 3.625 1.00 14.43 H new ATOM 0 HB3 GLU A 70 -15.822 -5.046 2.727 1.00 14.43 H new ATOM 0 HG2 GLU A 70 -14.531 -5.486 0.659 1.00 34.23 H new ATOM 0 HG3 GLU A 70 -13.044 -5.401 1.582 1.00 34.23 H new ATOM 1205 N LYS A 71 -14.952 -1.890 4.279 1.00 61.31 N ATOM 1206 CA LYS A 71 -15.722 -1.036 5.183 1.00 12.33 C ATOM 1207 C LYS A 71 -16.167 0.236 4.459 1.00 64.34 C ATOM 1208 O LYS A 71 -17.172 0.853 4.817 1.00 14.10 O ATOM 1209 CB LYS A 71 -14.938 -0.688 6.461 1.00 64.20 C ATOM 1210 CG LYS A 71 -14.555 -1.893 7.328 1.00 72.22 C ATOM 1211 CD LYS A 71 -15.772 -2.707 7.781 1.00 63.21 C ATOM 1212 CE LYS A 71 -16.726 -1.892 8.645 1.00 23.11 C ATOM 1213 NZ LYS A 71 -17.899 -2.685 9.073 1.00 62.40 N ATOM 0 H LYS A 71 -13.959 -1.973 4.499 1.00 61.31 H new ATOM 0 HA LYS A 71 -16.604 -1.597 5.492 1.00 12.33 H new ATOM 0 HB2 LYS A 71 -14.029 -0.157 6.179 1.00 64.20 H new ATOM 0 HB3 LYS A 71 -15.535 -0.001 7.061 1.00 64.20 H new ATOM 0 HG2 LYS A 71 -13.880 -2.539 6.767 1.00 72.22 H new ATOM 0 HG3 LYS A 71 -14.009 -1.545 8.205 1.00 72.22 H new ATOM 0 HD2 LYS A 71 -16.305 -3.077 6.905 1.00 63.21 H new ATOM 0 HD3 LYS A 71 -15.435 -3.579 8.340 1.00 63.21 H new ATOM 0 HE2 LYS A 71 -16.196 -1.525 9.524 1.00 23.11 H new ATOM 0 HE3 LYS A 71 -17.063 -1.018 8.088 1.00 23.11 H new ATOM 0 HZ1 LYS A 71 -18.523 -2.094 9.659 1.00 62.40 H new ATOM 0 HZ2 LYS A 71 -18.420 -3.014 8.235 1.00 62.40 H new ATOM 0 HZ3 LYS A 71 -17.580 -3.506 9.627 1.00 62.40 H new ATOM 1227 N ARG A 72 -15.423 0.606 3.430 1.00 61.25 N ATOM 1228 CA ARG A 72 -15.727 1.793 2.649 1.00 75.54 C ATOM 1229 C ARG A 72 -16.484 1.429 1.354 1.00 53.54 C ATOM 1230 O ARG A 72 -16.908 2.305 0.610 1.00 0.23 O ATOM 1231 CB ARG A 72 -14.446 2.597 2.382 1.00 11.32 C ATOM 1232 CG ARG A 72 -13.448 1.893 1.504 1.00 55.43 C ATOM 1233 CD ARG A 72 -12.045 2.435 1.687 1.00 30.42 C ATOM 1234 NE ARG A 72 -11.881 3.854 1.390 1.00 4.15 N ATOM 1235 CZ ARG A 72 -10.709 4.391 1.038 1.00 23.00 C ATOM 1236 NH1 ARG A 72 -9.685 3.599 0.726 1.00 1.01 N ATOM 1237 NH2 ARG A 72 -10.566 5.706 0.966 1.00 33.33 N ATOM 0 H ARG A 72 -14.598 0.097 3.114 1.00 61.25 H new ATOM 0 HA ARG A 72 -16.396 2.433 3.224 1.00 75.54 H new ATOM 0 HB2 ARG A 72 -14.716 3.546 1.918 1.00 11.32 H new ATOM 0 HB3 ARG A 72 -13.972 2.832 3.335 1.00 11.32 H new ATOM 0 HG2 ARG A 72 -13.456 0.827 1.729 1.00 55.43 H new ATOM 0 HG3 ARG A 72 -13.744 2.001 0.461 1.00 55.43 H new ATOM 0 HD2 ARG A 72 -11.737 2.258 2.717 1.00 30.42 H new ATOM 0 HD3 ARG A 72 -11.368 1.867 1.050 1.00 30.42 H new ATOM 0 HE ARG A 72 -12.697 4.463 1.454 1.00 4.15 H new ATOM 0 HH11 ARG A 72 -9.796 2.586 0.756 1.00 1.01 H new ATOM 0 HH12 ARG A 72 -8.789 4.006 0.457 1.00 1.01 H new ATOM 0 HH21 ARG A 72 -11.354 6.317 1.180 1.00 33.33 H new ATOM 0 HH22 ARG A 72 -9.668 6.107 0.697 1.00 33.33 H new ATOM 1251 N ARG A 73 -16.674 0.121 1.126 1.00 0.14 N ATOM 1252 CA ARG A 73 -17.425 -0.411 -0.003 1.00 72.31 C ATOM 1253 C ARG A 73 -17.700 -1.886 0.178 1.00 71.40 C ATOM 1254 O ARG A 73 -17.065 -2.772 -0.370 1.00 42.11 O ATOM 1255 CB ARG A 73 -16.960 0.047 -1.422 1.00 51.41 C ATOM 1256 CG ARG A 73 -15.538 -0.268 -1.883 1.00 62.43 C ATOM 1257 CD ARG A 73 -15.390 -1.679 -2.411 1.00 2.34 C ATOM 1258 NE ARG A 73 -14.137 -1.875 -3.144 1.00 5.24 N ATOM 1259 CZ ARG A 73 -13.591 -3.057 -3.397 1.00 71.51 C ATOM 1260 NH1 ARG A 73 -14.048 -4.138 -2.812 1.00 24.51 N ATOM 1261 NH2 ARG A 73 -12.542 -3.153 -4.195 1.00 62.21 N ATOM 0 H ARG A 73 -16.300 -0.604 1.738 1.00 0.14 H new ATOM 0 HA ARG A 73 -18.399 0.079 0.018 1.00 72.31 H new ATOM 0 HB2 ARG A 73 -17.644 -0.392 -2.148 1.00 51.41 H new ATOM 0 HB3 ARG A 73 -17.089 1.128 -1.476 1.00 51.41 H new ATOM 0 HG2 ARG A 73 -15.249 0.438 -2.661 1.00 62.43 H new ATOM 0 HG3 ARG A 73 -14.851 -0.123 -1.050 1.00 62.43 H new ATOM 0 HD2 ARG A 73 -15.434 -2.381 -1.579 1.00 2.34 H new ATOM 0 HD3 ARG A 73 -16.230 -1.908 -3.066 1.00 2.34 H new ATOM 0 HE ARG A 73 -13.651 -1.045 -3.483 1.00 5.24 H new ATOM 0 HH11 ARG A 73 -14.828 -4.073 -2.158 1.00 24.51 H new ATOM 0 HH12 ARG A 73 -13.624 -5.044 -3.011 1.00 24.51 H new ATOM 0 HH21 ARG A 73 -12.147 -2.315 -4.621 1.00 62.21 H new ATOM 0 HH22 ARG A 73 -12.127 -4.065 -4.385 1.00 62.21 H new