USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 729 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 Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.643 X(o=-0.64,f=-1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 25:sc= 0.321 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.71 X(o=-0.71,f=-0.39) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -155:sc= 0.864 (180deg=0.372) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 15:sc= -0.862 USER MOD Single : A 57 HIS : no HE2:sc= -1.02 X(o=-1,f=-0.73) USER MOD Single : A 59 GLN : amide:sc= -5.74! C(o=-5.7!,f=-4.4!) USER MOD Single : A 63 ASN : amide:sc= -1.11 K(o=-1.1,f=-5.8!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.72 K(o=-2.7,f=-6.4!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.409 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= -0.0022 (180deg=-0.0861) USER MOD Single : A 74 LYS NZ :NH3+ 154:sc= -0.315 (180deg=-0.486) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot -100:sc= 0.555 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.48) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -2.56! K(o=-2.6!,f=-0.38) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 71:sc= -0.26 USER MOD Single : A 98 SER OG : rot -18:sc= 0.421! USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl 167:sc= -1.54 (180deg=-2.25) USER MOD Single : A 107 CYS SG : rot 13:sc= 0.434 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 15.634 -2.562 0.982 1.00 1.01 N ATOM 148 CA GLN A 12 15.621 -1.376 1.830 1.00 32.14 C ATOM 149 C GLN A 12 14.225 -0.763 1.888 1.00 64.42 C ATOM 150 O GLN A 12 13.375 -1.014 1.034 1.00 60.54 O ATOM 151 CB GLN A 12 16.624 -0.343 1.314 1.00 13.23 C ATOM 152 CG GLN A 12 17.986 -0.430 1.983 1.00 12.24 C ATOM 153 CD GLN A 12 18.784 0.853 1.852 1.00 34.41 C ATOM 154 OE1 GLN A 12 19.127 1.488 2.849 1.00 10.51 O ATOM 155 NE2 GLN A 12 19.083 1.240 0.618 1.00 64.22 N ATOM 0 HA GLN A 12 15.907 -1.678 2.838 1.00 32.14 H new ATOM 0 HB2 GLN A 12 16.748 -0.474 0.239 1.00 13.23 H new ATOM 0 HB3 GLN A 12 16.216 0.656 1.468 1.00 13.23 H new ATOM 0 HG2 GLN A 12 17.853 -0.665 3.039 1.00 12.24 H new ATOM 0 HG3 GLN A 12 18.551 -1.251 1.542 1.00 12.24 H new ATOM 0 HE21 GLN A 12 18.778 0.682 -0.179 1.00 64.22 H new ATOM 0 HE22 GLN A 12 19.618 2.095 0.467 1.00 64.22 H new ATOM 164 N PRO A 13 13.982 0.060 2.918 1.00 31.35 N ATOM 165 CA PRO A 13 12.690 0.725 3.112 1.00 43.41 C ATOM 166 C PRO A 13 12.430 1.802 2.064 1.00 63.03 C ATOM 167 O PRO A 13 13.358 2.460 1.592 1.00 41.22 O ATOM 168 CB PRO A 13 12.819 1.353 4.502 1.00 23.21 C ATOM 169 CG PRO A 13 14.284 1.542 4.698 1.00 51.31 C ATOM 170 CD PRO A 13 14.949 0.404 3.974 1.00 0.31 C ATOM 0 HA PRO A 13 11.856 0.030 3.019 1.00 43.41 H new ATOM 0 HB2 PRO A 13 12.286 2.302 4.558 1.00 23.21 H new ATOM 0 HB3 PRO A 13 12.397 0.705 5.270 1.00 23.21 H new ATOM 0 HG2 PRO A 13 14.610 2.502 4.299 1.00 51.31 H new ATOM 0 HG3 PRO A 13 14.540 1.533 5.757 1.00 51.31 H new ATOM 0 HD2 PRO A 13 15.911 0.701 3.557 1.00 0.31 H new ATOM 0 HD3 PRO A 13 15.136 -0.440 4.638 1.00 0.31 H new ATOM 178 N HIS A 14 11.163 1.977 1.703 1.00 32.14 N ATOM 179 CA HIS A 14 10.781 2.975 0.711 1.00 11.40 C ATOM 180 C HIS A 14 9.537 3.738 1.158 1.00 22.31 C ATOM 181 O HIS A 14 8.973 3.460 2.217 1.00 52.25 O ATOM 182 CB HIS A 14 10.526 2.309 -0.642 1.00 5.45 C ATOM 183 CG HIS A 14 11.740 1.652 -1.223 1.00 71.12 C ATOM 184 ND1 HIS A 14 12.039 0.320 -1.030 1.00 64.25 N ATOM 185 CD2 HIS A 14 12.731 2.151 -1.998 1.00 63.43 C ATOM 186 CE1 HIS A 14 13.163 0.028 -1.660 1.00 64.13 C ATOM 187 NE2 HIS A 14 13.603 1.122 -2.256 1.00 63.41 N ATOM 0 H HIS A 14 10.383 1.440 2.083 1.00 32.14 H new ATOM 0 HA HIS A 14 11.603 3.683 0.610 1.00 11.40 H new ATOM 0 HB2 HIS A 14 9.739 1.564 -0.529 1.00 5.45 H new ATOM 0 HB3 HIS A 14 10.157 3.058 -1.343 1.00 5.45 H new ATOM 0 HD2 HIS A 14 12.820 3.169 -2.348 1.00 63.43 H new ATOM 0 HE1 HIS A 14 13.641 -0.940 -1.684 1.00 64.13 H new ATOM 0 HE2 HIS A 14 14.452 1.191 -2.817 1.00 63.41 H new ATOM 195 N LYS A 15 9.115 4.700 0.345 1.00 3.43 N ATOM 196 CA LYS A 15 7.938 5.503 0.656 1.00 44.34 C ATOM 197 C LYS A 15 6.741 5.057 -0.177 1.00 14.32 C ATOM 198 O LYS A 15 5.694 5.705 -0.172 1.00 34.14 O ATOM 199 CB LYS A 15 8.225 6.985 0.403 1.00 44.13 C ATOM 200 CG LYS A 15 8.852 7.261 -0.953 1.00 74.44 C ATOM 201 CD LYS A 15 10.271 7.785 -0.816 1.00 22.41 C ATOM 202 CE LYS A 15 10.289 9.280 -0.536 1.00 72.43 C ATOM 203 NZ LYS A 15 11.605 9.729 -0.004 1.00 62.13 N ATOM 0 H LYS A 15 9.571 4.943 -0.535 1.00 3.43 H new ATOM 0 HA LYS A 15 7.699 5.360 1.710 1.00 44.34 H new ATOM 0 HB2 LYS A 15 7.294 7.546 0.484 1.00 44.13 H new ATOM 0 HB3 LYS A 15 8.889 7.356 1.183 1.00 44.13 H new ATOM 0 HG2 LYS A 15 8.857 6.346 -1.545 1.00 74.44 H new ATOM 0 HG3 LYS A 15 8.246 7.988 -1.494 1.00 74.44 H new ATOM 0 HD2 LYS A 15 10.779 7.257 -0.009 1.00 22.41 H new ATOM 0 HD3 LYS A 15 10.826 7.579 -1.731 1.00 22.41 H new ATOM 0 HE2 LYS A 15 10.063 9.824 -1.453 1.00 72.43 H new ATOM 0 HE3 LYS A 15 9.505 9.525 0.181 1.00 72.43 H new ATOM 0 HZ1 LYS A 15 11.576 10.753 0.174 1.00 62.13 H new ATOM 0 HZ2 LYS A 15 11.809 9.229 0.885 1.00 62.13 H new ATOM 0 HZ3 LYS A 15 12.350 9.519 -0.698 1.00 62.13 H new ATOM 217 N ARG A 16 6.902 3.947 -0.890 1.00 15.33 N ATOM 218 CA ARG A 16 5.833 3.415 -1.727 1.00 11.14 C ATOM 219 C ARG A 16 5.593 1.938 -1.428 1.00 14.23 C ATOM 220 O ARG A 16 6.508 1.120 -1.516 1.00 2.22 O ATOM 221 CB ARG A 16 6.176 3.598 -3.206 1.00 60.22 C ATOM 222 CG ARG A 16 6.321 5.052 -3.623 1.00 3.33 C ATOM 223 CD ARG A 16 6.467 5.188 -5.130 1.00 44.22 C ATOM 224 NE ARG A 16 7.765 4.709 -5.600 1.00 33.03 N ATOM 225 CZ ARG A 16 8.896 5.389 -5.453 1.00 43.01 C ATOM 226 NH1 ARG A 16 8.890 6.571 -4.853 1.00 2.12 N ATOM 227 NH2 ARG A 16 10.037 4.886 -5.907 1.00 43.52 N ATOM 0 H ARG A 16 7.762 3.399 -0.905 1.00 15.33 H new ATOM 0 HA ARG A 16 4.920 3.967 -1.502 1.00 11.14 H new ATOM 0 HB2 ARG A 16 7.106 3.073 -3.422 1.00 60.22 H new ATOM 0 HB3 ARG A 16 5.398 3.131 -3.811 1.00 60.22 H new ATOM 0 HG2 ARG A 16 5.450 5.616 -3.288 1.00 3.33 H new ATOM 0 HG3 ARG A 16 7.191 5.487 -3.131 1.00 3.33 H new ATOM 0 HD2 ARG A 16 5.673 4.627 -5.623 1.00 44.22 H new ATOM 0 HD3 ARG A 16 6.342 6.233 -5.413 1.00 44.22 H new ATOM 0 HE ARG A 16 7.804 3.803 -6.066 1.00 33.03 H new ATOM 0 HH11 ARG A 16 8.015 6.961 -4.503 1.00 2.12 H new ATOM 0 HH12 ARG A 16 9.761 7.091 -4.742 1.00 2.12 H new ATOM 0 HH21 ARG A 16 10.045 3.977 -6.369 1.00 43.52 H new ATOM 0 HH22 ARG A 16 10.906 5.409 -5.794 1.00 43.52 H new ATOM 241 N TRP A 17 4.357 1.605 -1.074 1.00 14.41 N ATOM 242 CA TRP A 17 3.996 0.227 -0.761 1.00 42.13 C ATOM 243 C TRP A 17 2.567 -0.074 -1.198 1.00 70.43 C ATOM 244 O TRP A 17 1.657 0.724 -0.973 1.00 62.04 O ATOM 245 CB TRP A 17 4.150 -0.035 0.738 1.00 43.42 C ATOM 246 CG TRP A 17 5.579 -0.118 1.182 1.00 22.24 C ATOM 247 CD1 TRP A 17 6.304 0.861 1.801 1.00 73.52 C ATOM 248 CD2 TRP A 17 6.456 -1.241 1.041 1.00 45.22 C ATOM 249 NE1 TRP A 17 7.579 0.414 2.052 1.00 34.12 N ATOM 250 CE2 TRP A 17 7.697 -0.872 1.596 1.00 24.44 C ATOM 251 CE3 TRP A 17 6.314 -2.522 0.501 1.00 41.31 C ATOM 252 CZ2 TRP A 17 8.787 -1.739 1.625 1.00 74.20 C ATOM 253 CZ3 TRP A 17 7.396 -3.381 0.530 1.00 41.23 C ATOM 254 CH2 TRP A 17 8.619 -2.987 1.089 1.00 20.22 C ATOM 0 H TRP A 17 3.588 2.270 -0.997 1.00 14.41 H new ATOM 0 HA TRP A 17 4.670 -0.432 -1.309 1.00 42.13 H new ATOM 0 HB2 TRP A 17 3.650 0.760 1.292 1.00 43.42 H new ATOM 0 HB3 TRP A 17 3.644 -0.967 0.991 1.00 43.42 H new ATOM 0 HD1 TRP A 17 5.930 1.842 2.056 1.00 73.52 H new ATOM 0 HE1 TRP A 17 8.318 0.953 2.504 1.00 34.12 H new ATOM 0 HE3 TRP A 17 5.375 -2.835 0.069 1.00 41.31 H new ATOM 0 HZ2 TRP A 17 9.731 -1.437 2.055 1.00 74.20 H new ATOM 0 HZ3 TRP A 17 7.297 -4.373 0.115 1.00 41.23 H new ATOM 0 HH2 TRP A 17 9.446 -3.682 1.097 1.00 20.22 H new ATOM 265 N VAL A 18 2.375 -1.232 -1.824 1.00 4.51 N ATOM 266 CA VAL A 18 1.056 -1.639 -2.291 1.00 53.32 C ATOM 267 C VAL A 18 0.546 -2.847 -1.513 1.00 52.43 C ATOM 268 O VAL A 18 1.326 -3.590 -0.919 1.00 23.34 O ATOM 269 CB VAL A 18 1.072 -1.979 -3.793 1.00 45.03 C ATOM 270 CG1 VAL A 18 1.453 -0.756 -4.614 1.00 11.02 C ATOM 271 CG2 VAL A 18 2.026 -3.133 -4.067 1.00 55.52 C ATOM 0 H VAL A 18 3.117 -1.904 -2.019 1.00 4.51 H new ATOM 0 HA VAL A 18 0.387 -0.794 -2.125 1.00 53.32 H new ATOM 0 HB VAL A 18 0.069 -2.287 -4.089 1.00 45.03 H new ATOM 0 HG11 VAL A 18 1.459 -1.016 -5.673 1.00 11.02 H new ATOM 0 HG12 VAL A 18 0.728 0.039 -4.440 1.00 11.02 H new ATOM 0 HG13 VAL A 18 2.445 -0.414 -4.319 1.00 11.02 H new ATOM 0 HG21 VAL A 18 2.025 -3.360 -5.133 1.00 55.52 H new ATOM 0 HG22 VAL A 18 3.033 -2.854 -3.756 1.00 55.52 H new ATOM 0 HG23 VAL A 18 1.704 -4.012 -3.508 1.00 55.52 H new ATOM 281 N PHE A 19 -0.769 -3.037 -1.522 1.00 54.10 N ATOM 282 CA PHE A 19 -1.385 -4.155 -0.817 1.00 22.04 C ATOM 283 C PHE A 19 -2.420 -4.849 -1.696 1.00 73.44 C ATOM 284 O PHE A 19 -3.115 -4.206 -2.484 1.00 70.41 O ATOM 285 CB PHE A 19 -2.041 -3.670 0.477 1.00 14.05 C ATOM 286 CG PHE A 19 -2.938 -2.480 0.285 1.00 31.44 C ATOM 287 CD1 PHE A 19 -2.409 -1.202 0.210 1.00 63.23 C ATOM 288 CD2 PHE A 19 -4.310 -2.640 0.181 1.00 74.40 C ATOM 289 CE1 PHE A 19 -3.231 -0.105 0.033 1.00 60.44 C ATOM 290 CE2 PHE A 19 -5.138 -1.547 0.003 1.00 25.54 C ATOM 291 CZ PHE A 19 -4.597 -0.278 -0.070 1.00 33.34 C ATOM 0 H PHE A 19 -1.429 -2.431 -2.010 1.00 54.10 H new ATOM 0 HA PHE A 19 -0.602 -4.873 -0.573 1.00 22.04 H new ATOM 0 HB2 PHE A 19 -2.621 -4.486 0.909 1.00 14.05 H new ATOM 0 HB3 PHE A 19 -1.263 -3.416 1.197 1.00 14.05 H new ATOM 0 HD1 PHE A 19 -1.341 -1.061 0.291 1.00 63.23 H new ATOM 0 HD2 PHE A 19 -4.738 -3.630 0.240 1.00 74.40 H new ATOM 0 HE1 PHE A 19 -2.805 0.886 -0.025 1.00 60.44 H new ATOM 0 HE2 PHE A 19 -6.206 -1.685 -0.079 1.00 25.54 H new ATOM 0 HZ PHE A 19 -5.242 0.578 -0.207 1.00 33.34 H new ATOM 301 N THR A 20 -2.518 -6.168 -1.557 1.00 41.00 N ATOM 302 CA THR A 20 -3.466 -6.951 -2.339 1.00 71.11 C ATOM 303 C THR A 20 -3.943 -8.173 -1.562 1.00 65.24 C ATOM 304 O THR A 20 -3.135 -8.949 -1.049 1.00 70.14 O ATOM 305 CB THR A 20 -2.848 -7.413 -3.672 1.00 74.04 C ATOM 306 OG1 THR A 20 -1.784 -8.339 -3.425 1.00 12.43 O ATOM 307 CG2 THR A 20 -2.321 -6.226 -4.464 1.00 60.24 C ATOM 0 H THR A 20 -1.952 -6.716 -0.909 1.00 41.00 H new ATOM 0 HA THR A 20 -4.316 -6.302 -2.547 1.00 71.11 H new ATOM 0 HB THR A 20 -3.626 -7.903 -4.257 1.00 74.04 H new ATOM 0 HG1 THR A 20 -1.921 -8.770 -2.556 1.00 12.43 H new ATOM 0 HG21 THR A 20 -1.889 -6.577 -5.401 1.00 60.24 H new ATOM 0 HG22 THR A 20 -3.139 -5.538 -4.676 1.00 60.24 H new ATOM 0 HG23 THR A 20 -1.556 -5.711 -3.882 1.00 60.24 H new ATOM 315 N LEU A 21 -5.258 -8.340 -1.480 1.00 2.24 N ATOM 316 CA LEU A 21 -5.842 -9.470 -0.765 1.00 54.53 C ATOM 317 C LEU A 21 -7.051 -10.021 -1.515 1.00 22.30 C ATOM 318 O LEU A 21 -7.898 -9.265 -1.988 1.00 71.43 O ATOM 319 CB LEU A 21 -6.253 -9.048 0.647 1.00 63.32 C ATOM 320 CG LEU A 21 -6.711 -10.173 1.576 1.00 1.32 C ATOM 321 CD1 LEU A 21 -5.551 -10.670 2.425 1.00 61.14 C ATOM 322 CD2 LEU A 21 -7.857 -9.701 2.460 1.00 45.13 C ATOM 0 H LEU A 21 -5.940 -7.708 -1.899 1.00 2.24 H new ATOM 0 HA LEU A 21 -5.089 -10.255 -0.698 1.00 54.53 H new ATOM 0 HB2 LEU A 21 -5.409 -8.540 1.113 1.00 63.32 H new ATOM 0 HB3 LEU A 21 -7.059 -8.319 0.567 1.00 63.32 H new ATOM 0 HG LEU A 21 -7.067 -11.001 0.964 1.00 1.32 H new ATOM 0 HD11 LEU A 21 -5.896 -11.470 3.080 1.00 61.14 H new ATOM 0 HD12 LEU A 21 -4.761 -11.047 1.776 1.00 61.14 H new ATOM 0 HD13 LEU A 21 -5.164 -9.849 3.029 1.00 61.14 H new ATOM 0 HD21 LEU A 21 -8.170 -10.514 3.115 1.00 45.13 H new ATOM 0 HD22 LEU A 21 -7.526 -8.856 3.064 1.00 45.13 H new ATOM 0 HD23 LEU A 21 -8.696 -9.394 1.835 1.00 45.13 H new ATOM 334 N ASN A 22 -7.124 -11.345 -1.617 1.00 1.52 N ATOM 335 CA ASN A 22 -8.230 -11.998 -2.307 1.00 62.04 C ATOM 336 C ASN A 22 -9.424 -12.177 -1.375 1.00 1.22 C ATOM 337 O ASN A 22 -9.282 -12.669 -0.256 1.00 74.44 O ATOM 338 CB ASN A 22 -7.786 -13.357 -2.853 1.00 32.04 C ATOM 339 CG ASN A 22 -8.635 -13.815 -4.023 1.00 64.31 C ATOM 340 OD1 ASN A 22 -9.776 -14.243 -3.847 1.00 44.32 O ATOM 341 ND2 ASN A 22 -8.079 -13.728 -5.226 1.00 71.31 N ATOM 0 H ASN A 22 -6.431 -11.986 -1.231 1.00 1.52 H new ATOM 0 HA ASN A 22 -8.534 -11.361 -3.138 1.00 62.04 H new ATOM 0 HB2 ASN A 22 -6.743 -13.297 -3.166 1.00 32.04 H new ATOM 0 HB3 ASN A 22 -7.838 -14.100 -2.057 1.00 32.04 H new ATOM 0 HD21 ASN A 22 -8.601 -14.022 -6.052 1.00 71.31 H new ATOM 0 HD22 ASN A 22 -7.130 -13.367 -5.324 1.00 71.31 H new ATOM 348 N ASN A 23 -10.600 -11.773 -1.844 1.00 70.42 N ATOM 349 CA ASN A 23 -11.819 -11.889 -1.052 1.00 54.05 C ATOM 350 C ASN A 23 -11.627 -11.282 0.334 1.00 32.21 C ATOM 351 O ASN A 23 -11.642 -11.977 1.350 1.00 5.14 O ATOM 352 CB ASN A 23 -12.233 -13.357 -0.926 1.00 51.43 C ATOM 353 CG ASN A 23 -13.476 -13.536 -0.076 1.00 1.10 C ATOM 354 OD1 ASN A 23 -13.532 -14.415 0.784 1.00 62.43 O ATOM 355 ND2 ASN A 23 -14.480 -12.700 -0.313 1.00 74.42 N ATOM 0 H ASN A 23 -10.735 -11.363 -2.768 1.00 70.42 H new ATOM 0 HA ASN A 23 -12.609 -11.339 -1.564 1.00 54.05 H new ATOM 0 HB2 ASN A 23 -12.413 -13.767 -1.920 1.00 51.43 H new ATOM 0 HB3 ASN A 23 -11.413 -13.927 -0.490 1.00 51.43 H new ATOM 0 HD21 ASN A 23 -15.342 -12.772 0.228 1.00 74.42 H new ATOM 0 HD22 ASN A 23 -14.389 -11.986 -1.036 1.00 74.42 H new ATOM 362 N PRO A 24 -11.444 -9.954 0.379 1.00 64.35 N ATOM 363 CA PRO A 24 -11.246 -9.224 1.634 1.00 13.02 C ATOM 364 C PRO A 24 -12.513 -9.176 2.482 1.00 41.31 C ATOM 365 O PRO A 24 -13.624 -9.152 1.953 1.00 34.04 O ATOM 366 CB PRO A 24 -10.860 -7.818 1.170 1.00 41.44 C ATOM 367 CG PRO A 24 -11.461 -7.688 -0.187 1.00 74.21 C ATOM 368 CD PRO A 24 -11.415 -9.063 -0.794 1.00 21.44 C ATOM 0 HA PRO A 24 -10.497 -9.699 2.268 1.00 13.02 H new ATOM 0 HB2 PRO A 24 -11.246 -7.057 1.848 1.00 41.44 H new ATOM 0 HB3 PRO A 24 -9.777 -7.695 1.137 1.00 41.44 H new ATOM 0 HG2 PRO A 24 -12.486 -7.322 -0.126 1.00 74.21 H new ATOM 0 HG3 PRO A 24 -10.903 -6.975 -0.794 1.00 74.21 H new ATOM 0 HD2 PRO A 24 -12.264 -9.240 -1.454 1.00 21.44 H new ATOM 0 HD3 PRO A 24 -10.513 -9.210 -1.388 1.00 21.44 H new ATOM 376 N SER A 25 -12.338 -9.161 3.799 1.00 5.04 N ATOM 377 CA SER A 25 -13.467 -9.119 4.720 1.00 12.15 C ATOM 378 C SER A 25 -13.873 -7.678 5.017 1.00 22.32 C ATOM 379 O SER A 25 -13.076 -6.754 4.860 1.00 13.30 O ATOM 380 CB SER A 25 -13.118 -9.841 6.023 1.00 5.22 C ATOM 381 OG SER A 25 -14.086 -10.827 6.335 1.00 21.15 O ATOM 0 H SER A 25 -11.424 -9.177 4.252 1.00 5.04 H new ATOM 0 HA SER A 25 -14.308 -9.625 4.247 1.00 12.15 H new ATOM 0 HB2 SER A 25 -12.136 -10.306 5.933 1.00 5.22 H new ATOM 0 HB3 SER A 25 -13.055 -9.119 6.837 1.00 5.22 H new ATOM 0 HG SER A 25 -13.839 -11.275 7.171 1.00 21.15 H new ATOM 387 N GLU A 26 -15.118 -7.497 5.447 1.00 23.20 N ATOM 388 CA GLU A 26 -15.630 -6.169 5.765 1.00 63.40 C ATOM 389 C GLU A 26 -14.827 -5.533 6.896 1.00 33.44 C ATOM 390 O GLU A 26 -14.696 -4.311 6.968 1.00 62.42 O ATOM 391 CB GLU A 26 -17.107 -6.248 6.155 1.00 73.14 C ATOM 392 CG GLU A 26 -18.048 -5.716 5.086 1.00 23.40 C ATOM 393 CD GLU A 26 -19.358 -6.477 5.031 1.00 33.05 C ATOM 394 OE1 GLU A 26 -19.425 -7.491 4.306 1.00 71.42 O ATOM 395 OE2 GLU A 26 -20.317 -6.058 5.714 1.00 62.45 O ATOM 0 H GLU A 26 -15.790 -8.252 5.583 1.00 23.20 H new ATOM 0 HA GLU A 26 -15.529 -5.546 4.876 1.00 63.40 H new ATOM 0 HB2 GLU A 26 -17.363 -7.286 6.369 1.00 73.14 H new ATOM 0 HB3 GLU A 26 -17.262 -5.686 7.076 1.00 73.14 H new ATOM 0 HG2 GLU A 26 -18.252 -4.663 5.278 1.00 23.40 H new ATOM 0 HG3 GLU A 26 -17.558 -5.774 4.114 1.00 23.40 H new ATOM 402 N ASP A 27 -14.294 -6.371 7.779 1.00 63.14 N ATOM 403 CA ASP A 27 -13.504 -5.892 8.907 1.00 64.11 C ATOM 404 C ASP A 27 -12.109 -5.470 8.454 1.00 74.02 C ATOM 405 O ASP A 27 -11.599 -4.431 8.871 1.00 15.21 O ATOM 406 CB ASP A 27 -13.398 -6.977 9.980 1.00 11.31 C ATOM 407 CG ASP A 27 -14.060 -6.570 11.282 1.00 53.34 C ATOM 408 OD1 ASP A 27 -13.623 -5.565 11.881 1.00 63.42 O ATOM 409 OD2 ASP A 27 -15.016 -7.256 11.702 1.00 43.14 O ATOM 0 H ASP A 27 -14.395 -7.385 7.735 1.00 63.14 H new ATOM 0 HA ASP A 27 -14.008 -5.022 9.328 1.00 64.11 H new ATOM 0 HB2 ASP A 27 -13.859 -7.894 9.612 1.00 11.31 H new ATOM 0 HB3 ASP A 27 -12.347 -7.200 10.164 1.00 11.31 H new ATOM 414 N GLU A 28 -11.499 -6.284 7.599 1.00 62.35 N ATOM 415 CA GLU A 28 -10.163 -5.995 7.091 1.00 24.20 C ATOM 416 C GLU A 28 -10.188 -4.802 6.140 1.00 72.21 C ATOM 417 O GLU A 28 -9.385 -3.878 6.265 1.00 44.11 O ATOM 418 CB GLU A 28 -9.589 -7.220 6.375 1.00 1.13 C ATOM 419 CG GLU A 28 -8.209 -7.622 6.868 1.00 31.14 C ATOM 420 CD GLU A 28 -7.104 -6.776 6.265 1.00 35.51 C ATOM 421 OE1 GLU A 28 -7.423 -5.759 5.615 1.00 71.32 O ATOM 422 OE2 GLU A 28 -5.921 -7.132 6.444 1.00 62.51 O ATOM 0 H GLU A 28 -11.908 -7.148 7.244 1.00 62.35 H new ATOM 0 HA GLU A 28 -9.526 -5.747 7.940 1.00 24.20 H new ATOM 0 HB2 GLU A 28 -10.271 -8.060 6.506 1.00 1.13 H new ATOM 0 HB3 GLU A 28 -9.538 -7.015 5.306 1.00 1.13 H new ATOM 0 HG2 GLU A 28 -8.176 -7.535 7.954 1.00 31.14 H new ATOM 0 HG3 GLU A 28 -8.032 -8.670 6.626 1.00 31.14 H new ATOM 429 N ARG A 29 -11.117 -4.831 5.189 1.00 4.43 N ATOM 430 CA ARG A 29 -11.246 -3.753 4.216 1.00 73.33 C ATOM 431 C ARG A 29 -11.535 -2.425 4.909 1.00 21.25 C ATOM 432 O ARG A 29 -11.066 -1.372 4.478 1.00 5.12 O ATOM 433 CB ARG A 29 -12.360 -4.072 3.217 1.00 51.55 C ATOM 434 CG ARG A 29 -12.639 -2.944 2.236 1.00 61.33 C ATOM 435 CD ARG A 29 -14.099 -2.521 2.274 1.00 41.01 C ATOM 436 NE ARG A 29 -14.873 -3.127 1.194 1.00 41.13 N ATOM 437 CZ ARG A 29 -16.088 -2.721 0.843 1.00 41.52 C ATOM 438 NH1 ARG A 29 -16.664 -1.713 1.483 1.00 12.31 N ATOM 439 NH2 ARG A 29 -16.729 -3.322 -0.151 1.00 61.40 N ATOM 0 H ARG A 29 -11.790 -5.588 5.072 1.00 4.43 H new ATOM 0 HA ARG A 29 -10.300 -3.665 3.681 1.00 73.33 H new ATOM 0 HB2 ARG A 29 -12.091 -4.969 2.659 1.00 51.55 H new ATOM 0 HB3 ARG A 29 -13.274 -4.300 3.765 1.00 51.55 H new ATOM 0 HG2 ARG A 29 -12.005 -2.089 2.473 1.00 61.33 H new ATOM 0 HG3 ARG A 29 -12.378 -3.265 1.227 1.00 61.33 H new ATOM 0 HD2 ARG A 29 -14.533 -2.803 3.233 1.00 41.01 H new ATOM 0 HD3 ARG A 29 -14.164 -1.435 2.201 1.00 41.01 H new ATOM 0 HE ARG A 29 -14.458 -3.905 0.681 1.00 41.13 H new ATOM 0 HH11 ARG A 29 -16.174 -1.247 2.247 1.00 12.31 H new ATOM 0 HH12 ARG A 29 -17.597 -1.403 1.212 1.00 12.31 H new ATOM 0 HH21 ARG A 29 -16.289 -4.097 -0.647 1.00 61.40 H new ATOM 0 HH22 ARG A 29 -17.662 -3.009 -0.419 1.00 61.40 H new ATOM 453 N LYS A 30 -12.311 -2.483 5.987 1.00 44.23 N ATOM 454 CA LYS A 30 -12.662 -1.286 6.742 1.00 72.02 C ATOM 455 C LYS A 30 -11.451 -0.739 7.490 1.00 64.21 C ATOM 456 O LYS A 30 -11.289 0.473 7.628 1.00 4.44 O ATOM 457 CB LYS A 30 -13.789 -1.594 7.730 1.00 22.55 C ATOM 458 CG LYS A 30 -15.178 -1.465 7.130 1.00 62.45 C ATOM 459 CD LYS A 30 -15.768 -0.088 7.380 1.00 0.21 C ATOM 460 CE LYS A 30 -17.078 -0.174 8.149 1.00 44.12 C ATOM 461 NZ LYS A 30 -16.882 0.064 9.606 1.00 72.22 N ATOM 0 H LYS A 30 -12.709 -3.346 6.357 1.00 44.23 H new ATOM 0 HA LYS A 30 -13.003 -0.529 6.036 1.00 72.02 H new ATOM 0 HB2 LYS A 30 -13.660 -2.607 8.111 1.00 22.55 H new ATOM 0 HB3 LYS A 30 -13.707 -0.920 8.583 1.00 22.55 H new ATOM 0 HG2 LYS A 30 -15.131 -1.652 6.057 1.00 62.45 H new ATOM 0 HG3 LYS A 30 -15.832 -2.225 7.558 1.00 62.45 H new ATOM 0 HD2 LYS A 30 -15.056 0.518 7.940 1.00 0.21 H new ATOM 0 HD3 LYS A 30 -15.936 0.415 6.428 1.00 0.21 H new ATOM 0 HE2 LYS A 30 -17.781 0.559 7.753 1.00 44.12 H new ATOM 0 HE3 LYS A 30 -17.524 -1.157 7.998 1.00 44.12 H new ATOM 0 HZ1 LYS A 30 -17.797 -0.003 10.095 1.00 72.22 H new ATOM 0 HZ2 LYS A 30 -16.231 -0.651 9.990 1.00 72.22 H new ATOM 0 HZ3 LYS A 30 -16.480 1.012 9.752 1.00 72.22 H new ATOM 475 N LYS A 31 -10.601 -1.641 7.970 1.00 43.15 N ATOM 476 CA LYS A 31 -9.402 -1.250 8.701 1.00 3.32 C ATOM 477 C LYS A 31 -8.481 -0.406 7.826 1.00 51.34 C ATOM 478 O LYS A 31 -8.066 0.686 8.217 1.00 72.32 O ATOM 479 CB LYS A 31 -8.655 -2.490 9.198 1.00 50.12 C ATOM 480 CG LYS A 31 -7.272 -2.187 9.748 1.00 61.42 C ATOM 481 CD LYS A 31 -6.585 -3.446 10.251 1.00 5.40 C ATOM 482 CE LYS A 31 -5.120 -3.482 9.842 1.00 70.41 C ATOM 483 NZ LYS A 31 -4.287 -2.575 10.679 1.00 13.01 N ATOM 0 H LYS A 31 -10.721 -2.649 7.866 1.00 43.15 H new ATOM 0 HA LYS A 31 -9.710 -0.651 9.558 1.00 3.32 H new ATOM 0 HB2 LYS A 31 -9.248 -2.974 9.974 1.00 50.12 H new ATOM 0 HB3 LYS A 31 -8.563 -3.201 8.377 1.00 50.12 H new ATOM 0 HG2 LYS A 31 -6.663 -1.725 8.971 1.00 61.42 H new ATOM 0 HG3 LYS A 31 -7.353 -1.466 10.561 1.00 61.42 H new ATOM 0 HD2 LYS A 31 -6.662 -3.495 11.337 1.00 5.40 H new ATOM 0 HD3 LYS A 31 -7.096 -4.324 9.855 1.00 5.40 H new ATOM 0 HE2 LYS A 31 -4.744 -4.502 9.927 1.00 70.41 H new ATOM 0 HE3 LYS A 31 -5.028 -3.195 8.794 1.00 70.41 H new ATOM 0 HZ1 LYS A 31 -3.438 -2.295 10.148 1.00 13.01 H new ATOM 0 HZ2 LYS A 31 -4.837 -1.727 10.925 1.00 13.01 H new ATOM 0 HZ3 LYS A 31 -4.004 -3.069 11.550 1.00 13.01 H new ATOM 497 N ILE A 32 -8.167 -0.917 6.640 1.00 20.12 N ATOM 498 CA ILE A 32 -7.298 -0.208 5.709 1.00 22.41 C ATOM 499 C ILE A 32 -7.950 1.081 5.222 1.00 45.23 C ATOM 500 O ILE A 32 -7.292 2.115 5.104 1.00 44.04 O ATOM 501 CB ILE A 32 -6.944 -1.083 4.492 1.00 30.40 C ATOM 502 CG1 ILE A 32 -5.860 -2.097 4.863 1.00 20.33 C ATOM 503 CG2 ILE A 32 -6.488 -0.214 3.329 1.00 33.35 C ATOM 504 CD1 ILE A 32 -5.552 -3.084 3.759 1.00 21.10 C ATOM 0 H ILE A 32 -8.501 -1.819 6.301 1.00 20.12 H new ATOM 0 HA ILE A 32 -6.384 0.033 6.251 1.00 22.41 H new ATOM 0 HB ILE A 32 -7.836 -1.629 4.184 1.00 30.40 H new ATOM 0 HG12 ILE A 32 -4.948 -1.561 5.125 1.00 20.33 H new ATOM 0 HG13 ILE A 32 -6.175 -2.645 5.751 1.00 20.33 H new ATOM 0 HG21 ILE A 32 -6.241 -0.847 2.477 1.00 33.35 H new ATOM 0 HG22 ILE A 32 -7.288 0.472 3.052 1.00 33.35 H new ATOM 0 HG23 ILE A 32 -5.607 0.356 3.624 1.00 33.35 H new ATOM 0 HD11 ILE A 32 -4.775 -3.772 4.092 1.00 21.10 H new ATOM 0 HD12 ILE A 32 -6.453 -3.646 3.512 1.00 21.10 H new ATOM 0 HD13 ILE A 32 -5.206 -2.546 2.876 1.00 21.10 H new ATOM 516 N ARG A 33 -9.247 1.013 4.942 1.00 61.14 N ATOM 517 CA ARG A 33 -9.988 2.175 4.468 1.00 54.24 C ATOM 518 C ARG A 33 -10.162 3.201 5.584 1.00 54.34 C ATOM 519 O ARG A 33 -10.403 4.381 5.324 1.00 22.52 O ATOM 520 CB ARG A 33 -11.357 1.750 3.933 1.00 53.30 C ATOM 521 CG ARG A 33 -12.270 2.919 3.599 1.00 33.32 C ATOM 522 CD ARG A 33 -13.268 2.553 2.511 1.00 3.10 C ATOM 523 NE ARG A 33 -14.619 2.386 3.040 1.00 4.44 N ATOM 524 CZ ARG A 33 -15.433 3.401 3.308 1.00 75.23 C ATOM 525 NH1 ARG A 33 -15.037 4.648 3.096 1.00 64.03 N ATOM 526 NH2 ARG A 33 -16.649 3.169 3.788 1.00 64.44 N ATOM 0 H ARG A 33 -9.806 0.165 5.035 1.00 61.14 H new ATOM 0 HA ARG A 33 -9.417 2.635 3.661 1.00 54.24 H new ATOM 0 HB2 ARG A 33 -11.216 1.143 3.039 1.00 53.30 H new ATOM 0 HB3 ARG A 33 -11.847 1.117 4.673 1.00 53.30 H new ATOM 0 HG2 ARG A 33 -12.806 3.232 4.495 1.00 33.32 H new ATOM 0 HG3 ARG A 33 -11.670 3.769 3.273 1.00 33.32 H new ATOM 0 HD2 ARG A 33 -13.272 3.330 1.747 1.00 3.10 H new ATOM 0 HD3 ARG A 33 -12.952 1.630 2.025 1.00 3.10 H new ATOM 0 HE ARG A 33 -14.956 1.439 3.213 1.00 4.44 H new ATOM 0 HH11 ARG A 33 -14.104 4.831 2.726 1.00 64.03 H new ATOM 0 HH12 ARG A 33 -15.665 5.425 3.303 1.00 64.03 H new ATOM 0 HH21 ARG A 33 -16.959 2.211 3.951 1.00 64.44 H new ATOM 0 HH22 ARG A 33 -17.273 3.949 3.994 1.00 64.44 H new ATOM 540 N ASP A 34 -10.040 2.744 6.825 1.00 61.03 N ATOM 541 CA ASP A 34 -10.183 3.622 7.981 1.00 60.35 C ATOM 542 C ASP A 34 -8.818 4.062 8.501 1.00 52.24 C ATOM 543 O ASP A 34 -8.716 4.679 9.562 1.00 41.22 O ATOM 544 CB ASP A 34 -10.962 2.915 9.091 1.00 1.00 C ATOM 545 CG ASP A 34 -11.319 3.848 10.232 1.00 62.33 C ATOM 546 OD1 ASP A 34 -11.834 4.952 9.957 1.00 44.13 O ATOM 547 OD2 ASP A 34 -11.084 3.473 11.399 1.00 11.14 O ATOM 0 H ASP A 34 -9.842 1.771 7.057 1.00 61.03 H new ATOM 0 HA ASP A 34 -10.735 4.508 7.668 1.00 60.35 H new ATOM 0 HB2 ASP A 34 -11.875 2.488 8.675 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -10.369 2.085 9.476 1.00 1.00 H new ATOM 552 N LEU A 35 -7.772 3.741 7.748 1.00 71.23 N ATOM 553 CA LEU A 35 -6.412 4.102 8.133 1.00 53.42 C ATOM 554 C LEU A 35 -6.231 5.617 8.135 1.00 74.10 C ATOM 555 O LEU A 35 -6.997 6.359 7.519 1.00 2.00 O ATOM 556 CB LEU A 35 -5.403 3.458 7.181 1.00 51.24 C ATOM 557 CG LEU A 35 -5.016 2.012 7.491 1.00 71.21 C ATOM 558 CD1 LEU A 35 -4.191 1.425 6.356 1.00 22.14 C ATOM 559 CD2 LEU A 35 -4.252 1.934 8.804 1.00 3.44 C ATOM 0 H LEU A 35 -7.839 3.231 6.867 1.00 71.23 H new ATOM 0 HA LEU A 35 -6.236 3.732 9.143 1.00 53.42 H new ATOM 0 HB2 LEU A 35 -5.812 3.495 6.171 1.00 51.24 H new ATOM 0 HB3 LEU A 35 -4.497 4.063 7.180 1.00 51.24 H new ATOM 0 HG LEU A 35 -5.929 1.425 7.590 1.00 71.21 H new ATOM 0 HD11 LEU A 35 -3.925 0.395 6.594 1.00 22.14 H new ATOM 0 HD12 LEU A 35 -4.773 1.445 5.435 1.00 22.14 H new ATOM 0 HD13 LEU A 35 -3.283 2.013 6.224 1.00 22.14 H new ATOM 0 HD21 LEU A 35 -3.985 0.897 9.008 1.00 3.44 H new ATOM 0 HD22 LEU A 35 -3.346 2.535 8.734 1.00 3.44 H new ATOM 0 HD23 LEU A 35 -4.877 2.314 9.612 1.00 3.44 H new ATOM 571 N PRO A 36 -5.194 6.088 8.842 1.00 3.21 N ATOM 572 CA PRO A 36 -4.886 7.518 8.939 1.00 12.23 C ATOM 573 C PRO A 36 -4.375 8.092 7.622 1.00 13.11 C ATOM 574 O PRO A 36 -3.343 7.662 7.106 1.00 10.52 O ATOM 575 CB PRO A 36 -3.791 7.574 10.007 1.00 30.23 C ATOM 576 CG PRO A 36 -3.149 6.230 9.961 1.00 5.52 C ATOM 577 CD PRO A 36 -4.240 5.261 9.601 1.00 54.30 C ATOM 0 HA PRO A 36 -5.769 8.109 9.183 1.00 12.23 H new ATOM 0 HB2 PRO A 36 -3.071 8.364 9.795 1.00 30.23 H new ATOM 0 HB3 PRO A 36 -4.209 7.780 10.992 1.00 30.23 H new ATOM 0 HG2 PRO A 36 -2.347 6.206 9.223 1.00 5.52 H new ATOM 0 HG3 PRO A 36 -2.705 5.977 10.924 1.00 5.52 H new ATOM 0 HD2 PRO A 36 -3.861 4.433 9.002 1.00 54.30 H new ATOM 0 HD3 PRO A 36 -4.701 4.827 10.488 1.00 54.30 H new ATOM 585 N ILE A 37 -5.104 9.064 7.084 1.00 44.24 N ATOM 586 CA ILE A 37 -4.722 9.697 5.827 1.00 13.33 C ATOM 587 C ILE A 37 -3.464 10.542 5.997 1.00 13.31 C ATOM 588 O ILE A 37 -2.639 10.635 5.088 1.00 12.44 O ATOM 589 CB ILE A 37 -5.854 10.586 5.279 1.00 40.24 C ATOM 590 CG1 ILE A 37 -6.345 11.550 6.360 1.00 1.45 C ATOM 591 CG2 ILE A 37 -7.001 9.728 4.767 1.00 61.34 C ATOM 592 CD1 ILE A 37 -7.373 12.542 5.864 1.00 13.53 C ATOM 0 H ILE A 37 -5.961 9.430 7.498 1.00 44.24 H new ATOM 0 HA ILE A 37 -4.524 8.895 5.116 1.00 13.33 H new ATOM 0 HB ILE A 37 -5.464 11.172 4.447 1.00 40.24 H new ATOM 0 HG12 ILE A 37 -6.774 10.975 7.181 1.00 1.45 H new ATOM 0 HG13 ILE A 37 -5.492 12.095 6.764 1.00 1.45 H new ATOM 0 HG21 ILE A 37 -7.793 10.371 4.383 1.00 61.34 H new ATOM 0 HG22 ILE A 37 -6.642 9.079 3.969 1.00 61.34 H new ATOM 0 HG23 ILE A 37 -7.391 9.119 5.582 1.00 61.34 H new ATOM 0 HD11 ILE A 37 -7.676 13.193 6.684 1.00 13.53 H new ATOM 0 HD12 ILE A 37 -6.942 13.143 5.063 1.00 13.53 H new ATOM 0 HD13 ILE A 37 -8.244 12.006 5.486 1.00 13.53 H new ATOM 604 N SER A 38 -3.324 11.155 7.168 1.00 5.50 N ATOM 605 CA SER A 38 -2.167 11.995 7.457 1.00 23.21 C ATOM 606 C SER A 38 -0.889 11.162 7.502 1.00 50.20 C ATOM 607 O SER A 38 0.215 11.689 7.357 1.00 51.14 O ATOM 608 CB SER A 38 -2.360 12.725 8.787 1.00 2.44 C ATOM 609 OG SER A 38 -1.277 13.600 9.051 1.00 43.55 O ATOM 0 H SER A 38 -3.997 11.086 7.932 1.00 5.50 H new ATOM 0 HA SER A 38 -2.073 12.730 6.657 1.00 23.21 H new ATOM 0 HB2 SER A 38 -3.291 13.291 8.763 1.00 2.44 H new ATOM 0 HB3 SER A 38 -2.450 11.998 9.594 1.00 2.44 H new ATOM 0 HG SER A 38 -1.425 14.056 9.906 1.00 43.55 H new ATOM 615 N LEU A 39 -1.047 9.859 7.704 1.00 22.22 N ATOM 616 CA LEU A 39 0.093 8.951 7.769 1.00 43.05 C ATOM 617 C LEU A 39 0.660 8.690 6.377 1.00 64.41 C ATOM 618 O LEU A 39 1.852 8.421 6.221 1.00 51.21 O ATOM 619 CB LEU A 39 -0.318 7.630 8.421 1.00 62.24 C ATOM 620 CG LEU A 39 0.698 7.011 9.382 1.00 15.43 C ATOM 621 CD1 LEU A 39 -0.012 6.345 10.551 1.00 5.32 C ATOM 622 CD2 LEU A 39 1.582 6.011 8.653 1.00 45.21 C ATOM 0 H LEU A 39 -1.953 9.407 7.826 1.00 22.22 H new ATOM 0 HA LEU A 39 0.867 9.422 8.375 1.00 43.05 H new ATOM 0 HB2 LEU A 39 -1.250 7.790 8.963 1.00 62.24 H new ATOM 0 HB3 LEU A 39 -0.528 6.908 7.632 1.00 62.24 H new ATOM 0 HG LEU A 39 1.332 7.807 9.773 1.00 15.43 H new ATOM 0 HD11 LEU A 39 0.726 5.910 11.225 1.00 5.32 H new ATOM 0 HD12 LEU A 39 -0.602 7.087 11.089 1.00 5.32 H new ATOM 0 HD13 LEU A 39 -0.670 5.560 10.178 1.00 5.32 H new ATOM 0 HD21 LEU A 39 2.299 5.581 9.353 1.00 45.21 H new ATOM 0 HD22 LEU A 39 0.964 5.217 8.233 1.00 45.21 H new ATOM 0 HD23 LEU A 39 2.118 6.517 7.850 1.00 45.21 H new ATOM 634 N PHE A 40 -0.200 8.772 5.368 1.00 73.12 N ATOM 635 CA PHE A 40 0.215 8.545 3.988 1.00 11.53 C ATOM 636 C PHE A 40 -0.154 9.735 3.107 1.00 2.41 C ATOM 637 O PHE A 40 -1.332 10.034 2.910 1.00 43.12 O ATOM 638 CB PHE A 40 -0.432 7.271 3.441 1.00 11.42 C ATOM 639 CG PHE A 40 -0.508 6.158 4.447 1.00 52.32 C ATOM 640 CD1 PHE A 40 -1.597 6.048 5.297 1.00 41.03 C ATOM 641 CD2 PHE A 40 0.509 5.222 4.542 1.00 53.02 C ATOM 642 CE1 PHE A 40 -1.669 5.025 6.223 1.00 1.24 C ATOM 643 CE2 PHE A 40 0.442 4.197 5.466 1.00 20.34 C ATOM 644 CZ PHE A 40 -0.649 4.098 6.308 1.00 61.35 C ATOM 0 H PHE A 40 -1.189 8.994 5.479 1.00 73.12 H new ATOM 0 HA PHE A 40 1.299 8.428 3.975 1.00 11.53 H new ATOM 0 HB2 PHE A 40 -1.438 7.505 3.093 1.00 11.42 H new ATOM 0 HB3 PHE A 40 0.134 6.929 2.574 1.00 11.42 H new ATOM 0 HD1 PHE A 40 -2.398 6.770 5.235 1.00 41.03 H new ATOM 0 HD2 PHE A 40 1.364 5.294 3.886 1.00 53.02 H new ATOM 0 HE1 PHE A 40 -2.523 4.950 6.880 1.00 1.24 H new ATOM 0 HE2 PHE A 40 1.242 3.474 5.530 1.00 20.34 H new ATOM 0 HZ PHE A 40 -0.704 3.298 7.031 1.00 61.35 H new ATOM 654 N ASP A 41 0.862 10.411 2.581 1.00 73.14 N ATOM 655 CA ASP A 41 0.646 11.568 1.720 1.00 52.21 C ATOM 656 C ASP A 41 -0.309 11.227 0.580 1.00 11.22 C ATOM 657 O ASP A 41 -1.026 12.093 0.077 1.00 22.23 O ATOM 658 CB ASP A 41 1.977 12.066 1.155 1.00 62.42 C ATOM 659 CG ASP A 41 2.555 13.213 1.960 1.00 64.21 C ATOM 660 OD1 ASP A 41 2.061 13.460 3.080 1.00 71.35 O ATOM 661 OD2 ASP A 41 3.502 13.864 1.470 1.00 52.20 O ATOM 0 H ASP A 41 1.843 10.178 2.736 1.00 73.14 H new ATOM 0 HA ASP A 41 0.197 12.358 2.322 1.00 52.21 H new ATOM 0 HB2 ASP A 41 2.691 11.243 1.137 1.00 62.42 H new ATOM 0 HB3 ASP A 41 1.833 12.386 0.123 1.00 62.42 H new ATOM 666 N TYR A 42 -0.313 9.962 0.177 1.00 24.50 N ATOM 667 CA TYR A 42 -1.177 9.507 -0.906 1.00 24.32 C ATOM 668 C TYR A 42 -1.791 8.149 -0.579 1.00 10.11 C ATOM 669 O TYR A 42 -1.080 7.187 -0.287 1.00 14.02 O ATOM 670 CB TYR A 42 -0.388 9.421 -2.214 1.00 31.53 C ATOM 671 CG TYR A 42 -1.214 8.950 -3.389 1.00 74.31 C ATOM 672 CD1 TYR A 42 -2.546 9.325 -3.522 1.00 22.21 C ATOM 673 CD2 TYR A 42 -0.665 8.129 -4.366 1.00 44.22 C ATOM 674 CE1 TYR A 42 -3.305 8.897 -4.594 1.00 31.53 C ATOM 675 CE2 TYR A 42 -1.416 7.697 -5.442 1.00 42.50 C ATOM 676 CZ TYR A 42 -2.735 8.084 -5.551 1.00 74.53 C ATOM 677 OH TYR A 42 -3.488 7.654 -6.621 1.00 5.42 O ATOM 0 H TYR A 42 0.273 9.233 0.584 1.00 24.50 H new ATOM 0 HA TYR A 42 -1.983 10.231 -1.023 1.00 24.32 H new ATOM 0 HB2 TYR A 42 0.028 10.402 -2.443 1.00 31.53 H new ATOM 0 HB3 TYR A 42 0.454 8.742 -2.077 1.00 31.53 H new ATOM 0 HD1 TYR A 42 -2.995 9.962 -2.774 1.00 22.21 H new ATOM 0 HD2 TYR A 42 0.367 7.823 -4.283 1.00 44.22 H new ATOM 0 HE1 TYR A 42 -4.339 9.197 -4.682 1.00 31.53 H new ATOM 0 HE2 TYR A 42 -0.973 7.060 -6.193 1.00 42.50 H new ATOM 0 HH TYR A 42 -4.305 8.191 -6.683 1.00 5.42 H new ATOM 687 N PHE A 43 -3.117 8.079 -0.631 1.00 51.21 N ATOM 688 CA PHE A 43 -3.829 6.840 -0.341 1.00 13.34 C ATOM 689 C PHE A 43 -4.901 6.570 -1.392 1.00 74.22 C ATOM 690 O PHE A 43 -5.864 7.327 -1.521 1.00 32.51 O ATOM 691 CB PHE A 43 -4.467 6.908 1.049 1.00 71.44 C ATOM 692 CG PHE A 43 -4.439 5.599 1.785 1.00 32.21 C ATOM 693 CD1 PHE A 43 -4.368 4.401 1.093 1.00 32.30 C ATOM 694 CD2 PHE A 43 -4.484 5.567 3.170 1.00 74.24 C ATOM 695 CE1 PHE A 43 -4.342 3.195 1.768 1.00 61.54 C ATOM 696 CE2 PHE A 43 -4.458 4.364 3.850 1.00 70.14 C ATOM 697 CZ PHE A 43 -4.388 3.176 3.148 1.00 41.32 C ATOM 0 H PHE A 43 -3.720 8.866 -0.871 1.00 51.21 H new ATOM 0 HA PHE A 43 -3.109 6.022 -0.364 1.00 13.34 H new ATOM 0 HB2 PHE A 43 -3.948 7.661 1.642 1.00 71.44 H new ATOM 0 HB3 PHE A 43 -5.501 7.238 0.950 1.00 71.44 H new ATOM 0 HD1 PHE A 43 -4.333 4.409 0.014 1.00 32.30 H new ATOM 0 HD2 PHE A 43 -4.540 6.492 3.724 1.00 74.24 H new ATOM 0 HE1 PHE A 43 -4.286 2.268 1.216 1.00 61.54 H new ATOM 0 HE2 PHE A 43 -4.492 4.353 4.929 1.00 70.14 H new ATOM 0 HZ PHE A 43 -4.369 2.235 3.677 1.00 41.32 H new ATOM 707 N ILE A 44 -4.726 5.487 -2.142 1.00 35.44 N ATOM 708 CA ILE A 44 -5.678 5.116 -3.181 1.00 74.23 C ATOM 709 C ILE A 44 -5.952 3.616 -3.167 1.00 23.33 C ATOM 710 O ILE A 44 -5.049 2.807 -3.385 1.00 54.10 O ATOM 711 CB ILE A 44 -5.172 5.520 -4.578 1.00 51.44 C ATOM 712 CG1 ILE A 44 -6.012 4.845 -5.664 1.00 51.35 C ATOM 713 CG2 ILE A 44 -3.703 5.157 -4.735 1.00 0.30 C ATOM 714 CD1 ILE A 44 -6.177 5.686 -6.911 1.00 44.11 C ATOM 0 H ILE A 44 -3.934 4.851 -2.049 1.00 35.44 H new ATOM 0 HA ILE A 44 -6.602 5.654 -2.968 1.00 74.23 H new ATOM 0 HB ILE A 44 -5.273 6.600 -4.686 1.00 51.44 H new ATOM 0 HG12 ILE A 44 -5.548 3.897 -5.934 1.00 51.35 H new ATOM 0 HG13 ILE A 44 -6.997 4.614 -5.259 1.00 51.35 H new ATOM 0 HG21 ILE A 44 -3.360 5.449 -5.728 1.00 0.30 H new ATOM 0 HG22 ILE A 44 -3.116 5.680 -3.980 1.00 0.30 H new ATOM 0 HG23 ILE A 44 -3.579 4.081 -4.610 1.00 0.30 H new ATOM 0 HD11 ILE A 44 -6.783 5.145 -7.637 1.00 44.11 H new ATOM 0 HD12 ILE A 44 -6.669 6.624 -6.655 1.00 44.11 H new ATOM 0 HD13 ILE A 44 -5.197 5.896 -7.341 1.00 44.11 H new ATOM 726 N VAL A 45 -7.204 3.250 -2.910 1.00 4.25 N ATOM 727 CA VAL A 45 -7.598 1.847 -2.869 1.00 45.04 C ATOM 728 C VAL A 45 -8.709 1.559 -3.873 1.00 4.22 C ATOM 729 O VAL A 45 -9.658 2.331 -4.002 1.00 42.24 O ATOM 730 CB VAL A 45 -8.072 1.437 -1.463 1.00 14.43 C ATOM 731 CG1 VAL A 45 -7.959 -0.068 -1.278 1.00 71.20 C ATOM 732 CG2 VAL A 45 -7.277 2.175 -0.396 1.00 62.04 C ATOM 0 H VAL A 45 -7.963 3.906 -2.727 1.00 4.25 H new ATOM 0 HA VAL A 45 -6.716 1.263 -3.130 1.00 45.04 H new ATOM 0 HB VAL A 45 -9.121 1.713 -1.358 1.00 14.43 H new ATOM 0 HG11 VAL A 45 -8.299 -0.338 -0.278 1.00 71.20 H new ATOM 0 HG12 VAL A 45 -8.577 -0.573 -2.020 1.00 71.20 H new ATOM 0 HG13 VAL A 45 -6.920 -0.373 -1.403 1.00 71.20 H new ATOM 0 HG21 VAL A 45 -7.626 1.873 0.592 1.00 62.04 H new ATOM 0 HG22 VAL A 45 -6.219 1.932 -0.497 1.00 62.04 H new ATOM 0 HG23 VAL A 45 -7.416 3.249 -0.517 1.00 62.04 H new ATOM 742 N GLY A 46 -8.584 0.441 -4.582 1.00 3.23 N ATOM 743 CA GLY A 46 -9.585 0.070 -5.565 1.00 3.42 C ATOM 744 C GLY A 46 -10.160 -1.310 -5.315 1.00 2.55 C ATOM 745 O GLY A 46 -9.421 -2.257 -5.049 1.00 35.24 O ATOM 0 H GLY A 46 -7.807 -0.214 -4.493 1.00 3.23 H new ATOM 0 HA2 GLY A 46 -10.391 0.804 -5.553 1.00 3.42 H new ATOM 0 HA3 GLY A 46 -9.141 0.100 -6.560 1.00 3.42 H new ATOM 749 N GLU A 47 -11.482 -1.422 -5.398 1.00 62.11 N ATOM 750 CA GLU A 47 -12.155 -2.696 -5.176 1.00 22.51 C ATOM 751 C GLU A 47 -12.416 -3.412 -6.498 1.00 42.23 C ATOM 752 O GLU A 47 -12.887 -2.806 -7.460 1.00 63.23 O ATOM 753 CB GLU A 47 -13.474 -2.479 -4.432 1.00 51.10 C ATOM 754 CG GLU A 47 -14.341 -3.724 -4.353 1.00 22.41 C ATOM 755 CD GLU A 47 -15.084 -3.835 -3.036 1.00 74.10 C ATOM 756 OE1 GLU A 47 -14.426 -3.782 -1.976 1.00 53.42 O ATOM 757 OE2 GLU A 47 -16.325 -3.975 -3.066 1.00 31.01 O ATOM 0 H GLU A 47 -12.107 -0.647 -5.617 1.00 62.11 H new ATOM 0 HA GLU A 47 -11.501 -3.321 -4.567 1.00 22.51 H new ATOM 0 HB2 GLU A 47 -13.258 -2.132 -3.421 1.00 51.10 H new ATOM 0 HB3 GLU A 47 -14.035 -1.687 -4.928 1.00 51.10 H new ATOM 0 HG2 GLU A 47 -15.060 -3.714 -5.172 1.00 22.41 H new ATOM 0 HG3 GLU A 47 -13.716 -4.607 -4.489 1.00 22.41 H new ATOM 875 N PRO A 56 -14.751 -10.955 -4.648 1.00 40.45 N ATOM 876 CA PRO A 56 -14.083 -9.658 -4.795 1.00 14.32 C ATOM 877 C PRO A 56 -12.596 -9.731 -4.465 1.00 54.32 C ATOM 878 O PRO A 56 -12.136 -10.682 -3.833 1.00 14.02 O ATOM 879 CB PRO A 56 -14.812 -8.768 -3.785 1.00 0.23 C ATOM 880 CG PRO A 56 -15.342 -9.712 -2.761 1.00 50.33 C ATOM 881 CD PRO A 56 -15.671 -10.980 -3.499 1.00 22.22 C ATOM 0 HA PRO A 56 -14.129 -9.290 -5.820 1.00 14.32 H new ATOM 0 HB2 PRO A 56 -14.135 -8.039 -3.339 1.00 0.23 H new ATOM 0 HB3 PRO A 56 -15.617 -8.207 -4.260 1.00 0.23 H new ATOM 0 HG2 PRO A 56 -14.604 -9.895 -1.980 1.00 50.33 H new ATOM 0 HG3 PRO A 56 -16.227 -9.303 -2.274 1.00 50.33 H new ATOM 0 HD2 PRO A 56 -15.512 -11.860 -2.876 1.00 22.22 H new ATOM 0 HD3 PRO A 56 -16.713 -11.000 -3.819 1.00 22.22 H new ATOM 889 N HIS A 57 -11.849 -8.720 -4.897 1.00 42.02 N ATOM 890 CA HIS A 57 -10.413 -8.670 -4.647 1.00 2.55 C ATOM 891 C HIS A 57 -9.970 -7.250 -4.307 1.00 12.45 C ATOM 892 O HIS A 57 -10.425 -6.283 -4.920 1.00 1.25 O ATOM 893 CB HIS A 57 -9.643 -9.178 -5.866 1.00 22.14 C ATOM 894 CG HIS A 57 -8.170 -8.916 -5.796 1.00 1.40 C ATOM 895 ND1 HIS A 57 -7.508 -8.100 -6.689 1.00 2.31 N ATOM 896 CD2 HIS A 57 -7.230 -9.365 -4.931 1.00 74.25 C ATOM 897 CE1 HIS A 57 -6.224 -8.060 -6.378 1.00 35.22 C ATOM 898 NE2 HIS A 57 -6.030 -8.819 -5.315 1.00 20.54 N ATOM 0 H HIS A 57 -12.214 -7.925 -5.421 1.00 42.02 H new ATOM 0 HA HIS A 57 -10.195 -9.314 -3.795 1.00 2.55 H new ATOM 0 HB2 HIS A 57 -9.808 -10.250 -5.969 1.00 22.14 H new ATOM 0 HB3 HIS A 57 -10.045 -8.706 -6.762 1.00 22.14 H new ATOM 0 HD1 HIS A 57 -7.942 -7.605 -7.468 1.00 2.31 H new ATOM 0 HD2 HIS A 57 -7.394 -10.029 -4.095 1.00 74.25 H new ATOM 0 HE1 HIS A 57 -5.463 -7.502 -6.904 1.00 35.22 H new ATOM 906 N LEU A 58 -9.082 -7.131 -3.326 1.00 1.10 N ATOM 907 CA LEU A 58 -8.578 -5.829 -2.904 1.00 10.35 C ATOM 908 C LEU A 58 -7.249 -5.513 -3.583 1.00 13.55 C ATOM 909 O LEU A 58 -6.344 -6.345 -3.613 1.00 21.51 O ATOM 910 CB LEU A 58 -8.408 -5.794 -1.384 1.00 31.23 C ATOM 911 CG LEU A 58 -9.133 -4.663 -0.653 1.00 22.53 C ATOM 912 CD1 LEU A 58 -8.742 -4.641 0.817 1.00 75.51 C ATOM 913 CD2 LEU A 58 -8.828 -3.324 -1.307 1.00 55.14 C ATOM 0 H LEU A 58 -8.696 -7.920 -2.808 1.00 1.10 H new ATOM 0 HA LEU A 58 -9.305 -5.073 -3.200 1.00 10.35 H new ATOM 0 HB2 LEU A 58 -8.756 -6.744 -0.978 1.00 31.23 H new ATOM 0 HB3 LEU A 58 -7.344 -5.722 -1.159 1.00 31.23 H new ATOM 0 HG LEU A 58 -10.206 -4.842 -0.720 1.00 22.53 H new ATOM 0 HD11 LEU A 58 -9.267 -3.830 1.321 1.00 75.51 H new ATOM 0 HD12 LEU A 58 -9.011 -5.591 1.279 1.00 75.51 H new ATOM 0 HD13 LEU A 58 -7.667 -4.487 0.905 1.00 75.51 H new ATOM 0 HD21 LEU A 58 -9.352 -2.531 -0.774 1.00 55.14 H new ATOM 0 HD22 LEU A 58 -7.755 -3.138 -1.271 1.00 55.14 H new ATOM 0 HD23 LEU A 58 -9.158 -3.343 -2.346 1.00 55.14 H new ATOM 925 N GLN A 59 -7.140 -4.304 -4.124 1.00 11.53 N ATOM 926 CA GLN A 59 -5.921 -3.877 -4.801 1.00 30.42 C ATOM 927 C GLN A 59 -5.791 -2.358 -4.783 1.00 53.13 C ATOM 928 O GLN A 59 -6.567 -1.651 -5.425 1.00 60.24 O ATOM 929 CB GLN A 59 -5.910 -4.386 -6.244 1.00 4.55 C ATOM 930 CG GLN A 59 -4.819 -3.762 -7.100 1.00 12.44 C ATOM 931 CD GLN A 59 -3.426 -4.117 -6.620 1.00 63.23 C ATOM 932 OE1 GLN A 59 -2.831 -5.095 -7.075 1.00 1.20 O ATOM 933 NE2 GLN A 59 -2.896 -3.323 -5.697 1.00 35.22 N ATOM 0 H GLN A 59 -7.881 -3.603 -4.107 1.00 11.53 H new ATOM 0 HA GLN A 59 -5.071 -4.301 -4.267 1.00 30.42 H new ATOM 0 HB2 GLN A 59 -5.781 -5.468 -6.238 1.00 4.55 H new ATOM 0 HB3 GLN A 59 -6.879 -4.183 -6.700 1.00 4.55 H new ATOM 0 HG2 GLN A 59 -4.939 -4.092 -8.132 1.00 12.44 H new ATOM 0 HG3 GLN A 59 -4.935 -2.678 -7.097 1.00 12.44 H new ATOM 0 HE21 GLN A 59 -3.424 -2.523 -5.348 1.00 35.22 H new ATOM 0 HE22 GLN A 59 -1.961 -3.513 -5.337 1.00 35.22 H new ATOM 942 N GLY A 60 -4.805 -1.861 -4.043 1.00 21.44 N ATOM 943 CA GLY A 60 -4.592 -0.429 -3.955 1.00 10.41 C ATOM 944 C GLY A 60 -3.148 -0.074 -3.661 1.00 41.10 C ATOM 945 O GLY A 60 -2.313 -0.956 -3.458 1.00 14.03 O ATOM 0 H GLY A 60 -4.149 -2.425 -3.502 1.00 21.44 H new ATOM 0 HA2 GLY A 60 -4.894 0.038 -4.892 1.00 10.41 H new ATOM 0 HA3 GLY A 60 -5.230 -0.017 -3.173 1.00 10.41 H new ATOM 949 N PHE A 61 -2.851 1.221 -3.640 1.00 2.21 N ATOM 950 CA PHE A 61 -1.497 1.691 -3.372 1.00 24.35 C ATOM 951 C PHE A 61 -1.504 2.809 -2.334 1.00 14.41 C ATOM 952 O PHE A 61 -2.380 3.674 -2.344 1.00 73.21 O ATOM 953 CB PHE A 61 -0.839 2.182 -4.663 1.00 10.02 C ATOM 954 CG PHE A 61 0.390 3.014 -4.431 1.00 14.22 C ATOM 955 CD1 PHE A 61 1.465 2.503 -3.722 1.00 12.21 C ATOM 956 CD2 PHE A 61 0.470 4.307 -4.922 1.00 54.21 C ATOM 957 CE1 PHE A 61 2.596 3.267 -3.506 1.00 42.24 C ATOM 958 CE2 PHE A 61 1.599 5.076 -4.710 1.00 73.11 C ATOM 959 CZ PHE A 61 2.664 4.555 -4.002 1.00 73.42 C ATOM 0 H PHE A 61 -3.530 1.964 -3.805 1.00 2.21 H new ATOM 0 HA PHE A 61 -0.922 0.855 -2.975 1.00 24.35 H new ATOM 0 HB2 PHE A 61 -0.574 1.321 -5.277 1.00 10.02 H new ATOM 0 HB3 PHE A 61 -1.563 2.767 -5.230 1.00 10.02 H new ATOM 0 HD1 PHE A 61 1.419 1.496 -3.334 1.00 12.21 H new ATOM 0 HD2 PHE A 61 -0.360 4.719 -5.477 1.00 54.21 H new ATOM 0 HE1 PHE A 61 3.426 2.858 -2.950 1.00 42.24 H new ATOM 0 HE2 PHE A 61 1.648 6.083 -5.098 1.00 73.11 H new ATOM 0 HZ PHE A 61 3.548 5.153 -3.836 1.00 73.42 H new ATOM 969 N ALA A 62 -0.522 2.785 -1.439 1.00 12.11 N ATOM 970 CA ALA A 62 -0.414 3.797 -0.395 1.00 54.04 C ATOM 971 C ALA A 62 1.013 4.321 -0.284 1.00 24.20 C ATOM 972 O ALA A 62 1.956 3.549 -0.117 1.00 24.40 O ATOM 973 CB ALA A 62 -0.876 3.230 0.939 1.00 54.40 C ATOM 0 H ALA A 62 0.210 2.076 -1.416 1.00 12.11 H new ATOM 0 HA ALA A 62 -1.060 4.633 -0.665 1.00 54.04 H new ATOM 0 HB1 ALA A 62 -0.790 3.996 1.709 1.00 54.40 H new ATOM 0 HB2 ALA A 62 -1.915 2.911 0.859 1.00 54.40 H new ATOM 0 HB3 ALA A 62 -0.254 2.376 1.206 1.00 54.40 H new ATOM 979 N ASN A 63 1.165 5.638 -0.378 1.00 73.14 N ATOM 980 CA ASN A 63 2.479 6.265 -0.289 1.00 74.44 C ATOM 981 C ASN A 63 2.791 6.672 1.147 1.00 20.54 C ATOM 982 O ASN A 63 2.145 7.557 1.708 1.00 74.02 O ATOM 983 CB ASN A 63 2.546 7.489 -1.204 1.00 55.22 C ATOM 984 CG ASN A 63 3.949 8.054 -1.313 1.00 32.24 C ATOM 985 OD1 ASN A 63 4.691 8.094 -0.332 1.00 24.45 O ATOM 986 ND2 ASN A 63 4.318 8.494 -2.510 1.00 3.33 N ATOM 0 H ASN A 63 0.394 6.292 -0.516 1.00 73.14 H new ATOM 0 HA ASN A 63 3.224 5.537 -0.612 1.00 74.44 H new ATOM 0 HB2 ASN A 63 2.189 7.217 -2.197 1.00 55.22 H new ATOM 0 HB3 ASN A 63 1.875 8.260 -0.824 1.00 55.22 H new ATOM 0 HD21 ASN A 63 5.250 8.885 -2.644 1.00 3.33 H new ATOM 0 HD22 ASN A 63 3.669 8.441 -3.295 1.00 3.33 H new ATOM 993 N PHE A 64 3.787 6.019 1.738 1.00 12.31 N ATOM 994 CA PHE A 64 4.185 6.313 3.110 1.00 65.52 C ATOM 995 C PHE A 64 4.876 7.670 3.197 1.00 12.51 C ATOM 996 O PHE A 64 5.795 7.963 2.432 1.00 71.31 O ATOM 997 CB PHE A 64 5.117 5.219 3.637 1.00 0.34 C ATOM 998 CG PHE A 64 4.520 4.410 4.753 1.00 70.11 C ATOM 999 CD1 PHE A 64 4.368 4.955 6.018 1.00 54.35 C ATOM 1000 CD2 PHE A 64 4.111 3.104 4.537 1.00 73.02 C ATOM 1001 CE1 PHE A 64 3.819 4.212 7.046 1.00 42.32 C ATOM 1002 CE2 PHE A 64 3.561 2.356 5.561 1.00 2.23 C ATOM 1003 CZ PHE A 64 3.414 2.912 6.817 1.00 24.41 C ATOM 0 H PHE A 64 4.333 5.284 1.289 1.00 12.31 H new ATOM 0 HA PHE A 64 3.286 6.343 3.725 1.00 65.52 H new ATOM 0 HB2 PHE A 64 5.382 4.552 2.817 1.00 0.34 H new ATOM 0 HB3 PHE A 64 6.042 5.678 3.986 1.00 0.34 H new ATOM 0 HD1 PHE A 64 4.682 5.972 6.203 1.00 54.35 H new ATOM 0 HD2 PHE A 64 4.223 2.665 3.557 1.00 73.02 H new ATOM 0 HE1 PHE A 64 3.707 4.648 8.028 1.00 42.32 H new ATOM 0 HE2 PHE A 64 3.247 1.339 5.379 1.00 2.23 H new ATOM 0 HZ PHE A 64 2.983 2.331 7.619 1.00 24.41 H new ATOM 1013 N VAL A 65 4.425 8.497 4.135 1.00 3.53 N ATOM 1014 CA VAL A 65 4.999 9.825 4.324 1.00 31.41 C ATOM 1015 C VAL A 65 6.480 9.738 4.677 1.00 55.21 C ATOM 1016 O VAL A 65 7.237 10.684 4.461 1.00 1.51 O ATOM 1017 CB VAL A 65 4.263 10.602 5.432 1.00 70.42 C ATOM 1018 CG1 VAL A 65 4.982 11.907 5.737 1.00 61.23 C ATOM 1019 CG2 VAL A 65 2.818 10.860 5.031 1.00 45.31 C ATOM 0 H VAL A 65 3.664 8.271 4.776 1.00 3.53 H new ATOM 0 HA VAL A 65 4.884 10.357 3.380 1.00 31.41 H new ATOM 0 HB VAL A 65 4.262 9.996 6.338 1.00 70.42 H new ATOM 0 HG11 VAL A 65 4.448 12.442 6.522 1.00 61.23 H new ATOM 0 HG12 VAL A 65 5.998 11.694 6.070 1.00 61.23 H new ATOM 0 HG13 VAL A 65 5.017 12.522 4.838 1.00 61.23 H new ATOM 0 HG21 VAL A 65 2.313 11.410 5.825 1.00 45.31 H new ATOM 0 HG22 VAL A 65 2.794 11.446 4.112 1.00 45.31 H new ATOM 0 HG23 VAL A 65 2.310 9.909 4.868 1.00 45.31 H new ATOM 1029 N LYS A 66 6.887 8.596 5.221 1.00 52.43 N ATOM 1030 CA LYS A 66 8.278 8.384 5.603 1.00 72.43 C ATOM 1031 C LYS A 66 8.810 7.080 5.017 1.00 74.44 C ATOM 1032 O LYS A 66 8.130 6.416 4.234 1.00 73.33 O ATOM 1033 CB LYS A 66 8.412 8.362 7.127 1.00 40.20 C ATOM 1034 CG LYS A 66 7.382 7.484 7.816 1.00 12.10 C ATOM 1035 CD LYS A 66 6.177 8.290 8.271 1.00 52.31 C ATOM 1036 CE LYS A 66 6.339 8.775 9.703 1.00 20.04 C ATOM 1037 NZ LYS A 66 5.395 8.091 10.631 1.00 45.15 N ATOM 0 H LYS A 66 6.273 7.803 5.407 1.00 52.43 H new ATOM 0 HA LYS A 66 8.868 9.209 5.204 1.00 72.43 H new ATOM 0 HB2 LYS A 66 9.410 8.012 7.390 1.00 40.20 H new ATOM 0 HB3 LYS A 66 8.321 9.380 7.506 1.00 40.20 H new ATOM 0 HG2 LYS A 66 7.058 6.698 7.134 1.00 12.10 H new ATOM 0 HG3 LYS A 66 7.838 6.993 8.676 1.00 12.10 H new ATOM 0 HD2 LYS A 66 6.039 9.145 7.610 1.00 52.31 H new ATOM 0 HD3 LYS A 66 5.278 7.678 8.192 1.00 52.31 H new ATOM 0 HE2 LYS A 66 7.363 8.599 10.032 1.00 20.04 H new ATOM 0 HE3 LYS A 66 6.172 9.851 9.743 1.00 20.04 H new ATOM 0 HZ1 LYS A 66 5.537 8.449 11.597 1.00 45.15 H new ATOM 0 HZ2 LYS A 66 4.417 8.279 10.332 1.00 45.15 H new ATOM 0 HZ3 LYS A 66 5.571 7.066 10.613 1.00 45.15 H new ATOM 1051 N LYS A 67 10.029 6.717 5.401 1.00 14.13 N ATOM 1052 CA LYS A 67 10.651 5.491 4.917 1.00 64.02 C ATOM 1053 C LYS A 67 10.365 4.326 5.859 1.00 53.02 C ATOM 1054 O LYS A 67 10.706 4.374 7.040 1.00 13.03 O ATOM 1055 CB LYS A 67 12.163 5.685 4.773 1.00 34.50 C ATOM 1056 CG LYS A 67 12.612 5.922 3.342 1.00 50.32 C ATOM 1057 CD LYS A 67 13.247 7.293 3.177 1.00 24.41 C ATOM 1058 CE LYS A 67 14.116 7.358 1.930 1.00 2.03 C ATOM 1059 NZ LYS A 67 15.549 7.095 2.238 1.00 2.44 N ATOM 0 H LYS A 67 10.606 7.255 6.047 1.00 14.13 H new ATOM 0 HA LYS A 67 10.225 5.258 3.941 1.00 64.02 H new ATOM 0 HB2 LYS A 67 12.472 6.531 5.387 1.00 34.50 H new ATOM 0 HB3 LYS A 67 12.673 4.804 5.164 1.00 34.50 H new ATOM 0 HG2 LYS A 67 13.326 5.152 3.051 1.00 50.32 H new ATOM 0 HG3 LYS A 67 11.757 5.833 2.672 1.00 50.32 H new ATOM 0 HD2 LYS A 67 12.467 8.052 3.118 1.00 24.41 H new ATOM 0 HD3 LYS A 67 13.850 7.524 4.055 1.00 24.41 H new ATOM 0 HE2 LYS A 67 13.761 6.629 1.202 1.00 2.03 H new ATOM 0 HE3 LYS A 67 14.018 8.341 1.470 1.00 2.03 H new ATOM 0 HZ1 LYS A 67 16.108 7.148 1.362 1.00 2.44 H new ATOM 0 HZ2 LYS A 67 15.895 7.806 2.913 1.00 2.44 H new ATOM 0 HZ3 LYS A 67 15.646 6.147 2.654 1.00 2.44 H new ATOM 1073 N GLN A 68 9.738 3.281 5.327 1.00 1.42 N ATOM 1074 CA GLN A 68 9.407 2.104 6.122 1.00 42.43 C ATOM 1075 C GLN A 68 9.818 0.826 5.398 1.00 11.21 C ATOM 1076 O GLN A 68 10.004 0.821 4.181 1.00 61.02 O ATOM 1077 CB GLN A 68 7.908 2.073 6.426 1.00 44.22 C ATOM 1078 CG GLN A 68 7.549 1.212 7.626 1.00 51.30 C ATOM 1079 CD GLN A 68 8.357 1.564 8.860 1.00 51.15 C ATOM 1080 OE1 GLN A 68 9.487 1.105 9.027 1.00 2.21 O ATOM 1081 NE2 GLN A 68 7.780 2.383 9.732 1.00 63.24 N ATOM 0 H GLN A 68 9.449 3.226 4.350 1.00 1.42 H new ATOM 0 HA GLN A 68 9.959 2.162 7.060 1.00 42.43 H new ATOM 0 HB2 GLN A 68 7.560 3.091 6.602 1.00 44.22 H new ATOM 0 HB3 GLN A 68 7.376 1.702 5.550 1.00 44.22 H new ATOM 0 HG2 GLN A 68 6.488 1.327 7.846 1.00 51.30 H new ATOM 0 HG3 GLN A 68 7.711 0.163 7.377 1.00 51.30 H new ATOM 0 HE21 GLN A 68 6.841 2.740 9.553 1.00 63.24 H new ATOM 0 HE22 GLN A 68 8.276 2.655 10.581 1.00 63.24 H new ATOM 1090 N THR A 69 9.958 -0.258 6.155 1.00 2.32 N ATOM 1091 CA THR A 69 10.348 -1.542 5.587 1.00 44.32 C ATOM 1092 C THR A 69 9.130 -2.418 5.321 1.00 60.32 C ATOM 1093 O THR A 69 8.020 -2.103 5.750 1.00 1.23 O ATOM 1094 CB THR A 69 11.317 -2.297 6.517 1.00 52.22 C ATOM 1095 OG1 THR A 69 10.590 -2.907 7.589 1.00 62.40 O ATOM 1096 CG2 THR A 69 12.369 -1.355 7.082 1.00 10.23 C ATOM 0 H THR A 69 9.807 -0.272 7.164 1.00 2.32 H new ATOM 0 HA THR A 69 10.852 -1.330 4.644 1.00 44.32 H new ATOM 0 HB THR A 69 11.820 -3.069 5.934 1.00 52.22 H new ATOM 0 HG1 THR A 69 11.212 -3.386 8.175 1.00 62.40 H new ATOM 0 HG21 THR A 69 13.042 -1.911 7.735 1.00 10.23 H new ATOM 0 HG22 THR A 69 12.939 -0.914 6.264 1.00 10.23 H new ATOM 0 HG23 THR A 69 11.881 -0.564 7.652 1.00 10.23 H new ATOM 1104 N PHE A 70 9.344 -3.521 4.611 1.00 51.04 N ATOM 1105 CA PHE A 70 8.262 -4.444 4.287 1.00 1.21 C ATOM 1106 C PHE A 70 7.669 -5.052 5.555 1.00 61.34 C ATOM 1107 O PHE A 70 6.462 -4.984 5.783 1.00 42.23 O ATOM 1108 CB PHE A 70 8.769 -5.554 3.364 1.00 50.41 C ATOM 1109 CG PHE A 70 7.866 -6.753 3.317 1.00 63.21 C ATOM 1110 CD1 PHE A 70 6.644 -6.692 2.667 1.00 64.33 C ATOM 1111 CD2 PHE A 70 8.240 -7.942 3.923 1.00 13.35 C ATOM 1112 CE1 PHE A 70 5.811 -7.794 2.621 1.00 25.42 C ATOM 1113 CE2 PHE A 70 7.411 -9.047 3.881 1.00 62.20 C ATOM 1114 CZ PHE A 70 6.195 -8.973 3.230 1.00 21.12 C ATOM 0 H PHE A 70 10.257 -3.797 4.249 1.00 51.04 H new ATOM 0 HA PHE A 70 7.481 -3.884 3.774 1.00 1.21 H new ATOM 0 HB2 PHE A 70 8.882 -5.154 2.356 1.00 50.41 H new ATOM 0 HB3 PHE A 70 9.759 -5.867 3.695 1.00 50.41 H new ATOM 0 HD1 PHE A 70 6.339 -5.772 2.190 1.00 64.33 H new ATOM 0 HD2 PHE A 70 9.190 -8.006 4.434 1.00 13.35 H new ATOM 0 HE1 PHE A 70 4.862 -7.733 2.110 1.00 25.42 H new ATOM 0 HE2 PHE A 70 7.714 -9.968 4.357 1.00 62.20 H new ATOM 0 HZ PHE A 70 5.546 -9.835 3.197 1.00 21.12 H new ATOM 1124 N ASN A 71 8.528 -5.648 6.375 1.00 31.44 N ATOM 1125 CA ASN A 71 8.090 -6.271 7.620 1.00 52.54 C ATOM 1126 C ASN A 71 7.401 -5.253 8.524 1.00 44.42 C ATOM 1127 O ASN A 71 6.352 -5.530 9.104 1.00 74.40 O ATOM 1128 CB ASN A 71 9.281 -6.894 8.349 1.00 21.33 C ATOM 1129 CG ASN A 71 9.296 -8.407 8.243 1.00 25.04 C ATOM 1130 OD1 ASN A 71 8.629 -9.101 9.011 1.00 43.12 O ATOM 1131 ND2 ASN A 71 10.061 -8.925 7.289 1.00 33.40 N ATOM 0 H ASN A 71 9.531 -5.713 6.201 1.00 31.44 H new ATOM 0 HA ASN A 71 7.374 -7.055 7.373 1.00 52.54 H new ATOM 0 HB2 ASN A 71 10.207 -6.494 7.935 1.00 21.33 H new ATOM 0 HB3 ASN A 71 9.251 -6.606 9.400 1.00 21.33 H new ATOM 0 HD21 ASN A 71 10.113 -9.937 7.170 1.00 33.40 H new ATOM 0 HD22 ASN A 71 10.597 -8.311 6.675 1.00 33.40 H new ATOM 1138 N LYS A 72 8.000 -4.072 8.639 1.00 54.21 N ATOM 1139 CA LYS A 72 7.445 -3.010 9.470 1.00 31.34 C ATOM 1140 C LYS A 72 6.099 -2.541 8.927 1.00 2.30 C ATOM 1141 O LYS A 72 5.129 -2.409 9.673 1.00 11.22 O ATOM 1142 CB LYS A 72 8.417 -1.831 9.543 1.00 1.35 C ATOM 1143 CG LYS A 72 8.348 -1.066 10.854 1.00 51.32 C ATOM 1144 CD LYS A 72 6.959 -0.498 11.096 1.00 62.44 C ATOM 1145 CE LYS A 72 6.955 0.490 12.251 1.00 14.53 C ATOM 1146 NZ LYS A 72 7.500 -0.112 13.499 1.00 21.10 N ATOM 0 H LYS A 72 8.870 -3.826 8.167 1.00 54.21 H new ATOM 0 HA LYS A 72 7.293 -3.410 10.473 1.00 31.34 H new ATOM 0 HB2 LYS A 72 9.433 -2.199 9.400 1.00 1.35 H new ATOM 0 HB3 LYS A 72 8.207 -1.147 8.721 1.00 1.35 H new ATOM 0 HG2 LYS A 72 8.620 -1.727 11.677 1.00 51.32 H new ATOM 0 HG3 LYS A 72 9.077 -0.255 10.842 1.00 51.32 H new ATOM 0 HD2 LYS A 72 6.604 -0.004 10.192 1.00 62.44 H new ATOM 0 HD3 LYS A 72 6.264 -1.311 11.308 1.00 62.44 H new ATOM 0 HE2 LYS A 72 7.546 1.365 11.982 1.00 14.53 H new ATOM 0 HE3 LYS A 72 5.937 0.836 12.429 1.00 14.53 H new ATOM 0 HZ1 LYS A 72 7.311 0.522 14.302 1.00 21.10 H new ATOM 0 HZ2 LYS A 72 7.044 -1.031 13.669 1.00 21.10 H new ATOM 0 HZ3 LYS A 72 8.526 -0.248 13.400 1.00 21.10 H new ATOM 1160 N VAL A 73 6.047 -2.291 7.622 1.00 4.15 N ATOM 1161 CA VAL A 73 4.820 -1.839 6.979 1.00 52.52 C ATOM 1162 C VAL A 73 3.662 -2.785 7.276 1.00 24.31 C ATOM 1163 O VAL A 73 2.498 -2.386 7.256 1.00 71.13 O ATOM 1164 CB VAL A 73 4.996 -1.723 5.453 1.00 34.40 C ATOM 1165 CG1 VAL A 73 3.642 -1.704 4.759 1.00 20.43 C ATOM 1166 CG2 VAL A 73 5.801 -0.482 5.102 1.00 2.31 C ATOM 0 H VAL A 73 6.841 -2.394 6.990 1.00 4.15 H new ATOM 0 HA VAL A 73 4.593 -0.854 7.387 1.00 52.52 H new ATOM 0 HB VAL A 73 5.546 -2.596 5.101 1.00 34.40 H new ATOM 0 HG11 VAL A 73 3.786 -1.622 3.682 1.00 20.43 H new ATOM 0 HG12 VAL A 73 3.105 -2.626 4.984 1.00 20.43 H new ATOM 0 HG13 VAL A 73 3.063 -0.851 5.114 1.00 20.43 H new ATOM 0 HG21 VAL A 73 5.915 -0.416 4.020 1.00 2.31 H new ATOM 0 HG22 VAL A 73 5.281 0.404 5.466 1.00 2.31 H new ATOM 0 HG23 VAL A 73 6.785 -0.543 5.568 1.00 2.31 H new ATOM 1176 N LYS A 74 3.990 -4.043 7.553 1.00 42.21 N ATOM 1177 CA LYS A 74 2.979 -5.048 7.857 1.00 70.42 C ATOM 1178 C LYS A 74 2.249 -4.712 9.153 1.00 1.31 C ATOM 1179 O LYS A 74 1.219 -5.308 9.469 1.00 3.41 O ATOM 1180 CB LYS A 74 3.623 -6.432 7.966 1.00 22.24 C ATOM 1181 CG LYS A 74 4.427 -6.828 6.740 1.00 42.20 C ATOM 1182 CD LYS A 74 4.185 -8.279 6.358 1.00 12.54 C ATOM 1183 CE LYS A 74 3.137 -8.399 5.262 1.00 24.01 C ATOM 1184 NZ LYS A 74 3.024 -9.794 4.754 1.00 31.44 N ATOM 0 H LYS A 74 4.949 -4.390 7.573 1.00 42.21 H new ATOM 0 HA LYS A 74 2.253 -5.054 7.044 1.00 70.42 H new ATOM 0 HB2 LYS A 74 4.275 -6.452 8.839 1.00 22.24 H new ATOM 0 HB3 LYS A 74 2.843 -7.174 8.133 1.00 22.24 H new ATOM 0 HG2 LYS A 74 4.160 -6.181 5.904 1.00 42.20 H new ATOM 0 HG3 LYS A 74 5.488 -6.674 6.935 1.00 42.20 H new ATOM 0 HD2 LYS A 74 5.119 -8.728 6.021 1.00 12.54 H new ATOM 0 HD3 LYS A 74 3.861 -8.838 7.236 1.00 12.54 H new ATOM 0 HE2 LYS A 74 2.171 -8.073 5.646 1.00 24.01 H new ATOM 0 HE3 LYS A 74 3.394 -7.732 4.439 1.00 24.01 H new ATOM 0 HZ1 LYS A 74 2.070 -9.947 4.368 1.00 31.44 H new ATOM 0 HZ2 LYS A 74 3.729 -9.949 4.006 1.00 31.44 H new ATOM 0 HZ3 LYS A 74 3.193 -10.462 5.533 1.00 31.44 H new ATOM 1198 N TRP A 75 2.788 -3.753 9.898 1.00 71.40 N ATOM 1199 CA TRP A 75 2.186 -3.337 11.160 1.00 41.24 C ATOM 1200 C TRP A 75 0.864 -2.617 10.920 1.00 14.14 C ATOM 1201 O TRP A 75 0.031 -2.513 11.821 1.00 35.51 O ATOM 1202 CB TRP A 75 3.144 -2.427 11.929 1.00 4.45 C ATOM 1203 CG TRP A 75 3.150 -1.013 11.431 1.00 24.21 C ATOM 1204 CD1 TRP A 75 3.115 -0.603 10.129 1.00 72.11 C ATOM 1205 CD2 TRP A 75 3.197 0.176 12.227 1.00 33.01 C ATOM 1206 NE1 TRP A 75 3.136 0.769 10.067 1.00 2.44 N ATOM 1207 CE2 TRP A 75 3.185 1.271 11.341 1.00 5.11 C ATOM 1208 CE3 TRP A 75 3.244 0.422 13.602 1.00 44.52 C ATOM 1209 CZ2 TRP A 75 3.222 2.589 11.787 1.00 14.52 C ATOM 1210 CZ3 TRP A 75 3.280 1.732 14.043 1.00 65.51 C ATOM 1211 CH2 TRP A 75 3.268 2.802 13.138 1.00 21.43 C ATOM 0 H TRP A 75 3.640 -3.249 9.650 1.00 71.40 H new ATOM 0 HA TRP A 75 1.990 -4.230 11.753 1.00 41.24 H new ATOM 0 HB2 TRP A 75 2.870 -2.432 12.984 1.00 4.45 H new ATOM 0 HB3 TRP A 75 4.153 -2.833 11.860 1.00 4.45 H new ATOM 0 HD1 TRP A 75 3.076 -1.261 9.273 1.00 72.11 H new ATOM 0 HE1 TRP A 75 3.118 1.324 9.211 1.00 2.44 H new ATOM 0 HE3 TRP A 75 3.252 -0.396 14.307 1.00 44.52 H new ATOM 0 HZ2 TRP A 75 3.215 3.415 11.091 1.00 14.52 H new ATOM 0 HZ3 TRP A 75 3.318 1.934 15.103 1.00 65.51 H new ATOM 0 HH2 TRP A 75 3.296 3.814 13.514 1.00 21.43 H new ATOM 1222 N TYR A 76 0.677 -2.121 9.702 1.00 32.22 N ATOM 1223 CA TYR A 76 -0.544 -1.409 9.346 1.00 55.21 C ATOM 1224 C TYR A 76 -1.352 -2.194 8.317 1.00 54.52 C ATOM 1225 O TYR A 76 -2.551 -2.418 8.491 1.00 60.02 O ATOM 1226 CB TYR A 76 -0.209 -0.021 8.797 1.00 63.22 C ATOM 1227 CG TYR A 76 -0.447 1.096 9.787 1.00 21.04 C ATOM 1228 CD1 TYR A 76 -1.574 1.102 10.600 1.00 3.21 C ATOM 1229 CD2 TYR A 76 0.456 2.145 9.911 1.00 11.03 C ATOM 1230 CE1 TYR A 76 -1.796 2.121 11.506 1.00 45.31 C ATOM 1231 CE2 TYR A 76 0.243 3.168 10.815 1.00 31.34 C ATOM 1232 CZ TYR A 76 -0.884 3.152 11.610 1.00 34.50 C ATOM 1233 OH TYR A 76 -1.101 4.168 12.512 1.00 30.21 O ATOM 0 H TYR A 76 1.356 -2.199 8.945 1.00 32.22 H new ATOM 0 HA TYR A 76 -1.146 -1.300 10.248 1.00 55.21 H new ATOM 0 HB2 TYR A 76 0.836 -0.004 8.488 1.00 63.22 H new ATOM 0 HB3 TYR A 76 -0.808 0.162 7.905 1.00 63.22 H new ATOM 0 HD1 TYR A 76 -2.289 0.296 10.522 1.00 3.21 H new ATOM 0 HD2 TYR A 76 1.340 2.161 9.290 1.00 11.03 H new ATOM 0 HE1 TYR A 76 -2.678 2.111 12.129 1.00 45.31 H new ATOM 0 HE2 TYR A 76 0.955 3.976 10.899 1.00 31.34 H new ATOM 0 HH TYR A 76 -0.240 4.522 12.819 1.00 30.21 H new ATOM 1243 N LEU A 77 -0.687 -2.609 7.244 1.00 14.15 N ATOM 1244 CA LEU A 77 -1.342 -3.370 6.186 1.00 43.13 C ATOM 1245 C LEU A 77 -1.719 -4.766 6.672 1.00 42.33 C ATOM 1246 O LEU A 77 -2.760 -5.304 6.298 1.00 12.14 O ATOM 1247 CB LEU A 77 -0.427 -3.473 4.964 1.00 4.43 C ATOM 1248 CG LEU A 77 -0.170 -2.170 4.206 1.00 0.44 C ATOM 1249 CD1 LEU A 77 0.689 -2.427 2.978 1.00 3.22 C ATOM 1250 CD2 LEU A 77 -1.485 -1.514 3.812 1.00 74.35 C ATOM 0 H LEU A 77 0.305 -2.431 7.084 1.00 14.15 H new ATOM 0 HA LEU A 77 -2.255 -2.844 5.906 1.00 43.13 H new ATOM 0 HB2 LEU A 77 0.532 -3.878 5.287 1.00 4.43 H new ATOM 0 HB3 LEU A 77 -0.860 -4.194 4.271 1.00 4.43 H new ATOM 0 HG LEU A 77 0.369 -1.489 4.865 1.00 0.44 H new ATOM 0 HD11 LEU A 77 0.861 -1.488 2.451 1.00 3.22 H new ATOM 0 HD12 LEU A 77 1.645 -2.852 3.285 1.00 3.22 H new ATOM 0 HD13 LEU A 77 0.178 -3.126 2.316 1.00 3.22 H new ATOM 0 HD21 LEU A 77 -1.283 -0.588 3.274 1.00 74.35 H new ATOM 0 HD22 LEU A 77 -2.051 -2.190 3.171 1.00 74.35 H new ATOM 0 HD23 LEU A 77 -2.064 -1.293 4.708 1.00 74.35 H new ATOM 1262 N GLY A 78 -0.865 -5.346 7.509 1.00 25.22 N ATOM 1263 CA GLY A 78 -1.127 -6.673 8.035 1.00 62.34 C ATOM 1264 C GLY A 78 -0.495 -7.765 7.194 1.00 51.13 C ATOM 1265 O GLY A 78 -0.292 -7.593 5.992 1.00 32.12 O ATOM 0 H GLY A 78 0.004 -4.921 7.832 1.00 25.22 H new ATOM 0 HA2 GLY A 78 -0.747 -6.738 9.055 1.00 62.34 H new ATOM 0 HA3 GLY A 78 -2.204 -6.835 8.085 1.00 62.34 H new ATOM 1269 N ALA A 79 -0.182 -8.891 7.827 1.00 50.24 N ATOM 1270 CA ALA A 79 0.430 -10.015 7.129 1.00 40.42 C ATOM 1271 C ALA A 79 -0.594 -10.753 6.274 1.00 70.51 C ATOM 1272 O ALA A 79 -0.245 -11.377 5.271 1.00 34.03 O ATOM 1273 CB ALA A 79 1.074 -10.967 8.125 1.00 22.12 C ATOM 0 H ALA A 79 -0.342 -9.049 8.822 1.00 50.24 H new ATOM 0 HA ALA A 79 1.202 -9.623 6.467 1.00 40.42 H new ATOM 0 HB1 ALA A 79 1.527 -11.802 7.590 1.00 22.12 H new ATOM 0 HB2 ALA A 79 1.842 -10.438 8.690 1.00 22.12 H new ATOM 0 HB3 ALA A 79 0.315 -11.345 8.810 1.00 22.12 H new ATOM 1279 N ARG A 80 -1.858 -10.680 6.677 1.00 12.23 N ATOM 1280 CA ARG A 80 -2.932 -11.344 5.949 1.00 55.43 C ATOM 1281 C ARG A 80 -2.908 -10.958 4.473 1.00 44.14 C ATOM 1282 O ARG A 80 -3.159 -11.789 3.599 1.00 20.23 O ATOM 1283 CB ARG A 80 -4.289 -10.984 6.558 1.00 2.11 C ATOM 1284 CG ARG A 80 -4.366 -11.225 8.057 1.00 54.12 C ATOM 1285 CD ARG A 80 -5.808 -11.272 8.540 1.00 44.14 C ATOM 1286 NE ARG A 80 -6.517 -12.442 8.031 1.00 74.41 N ATOM 1287 CZ ARG A 80 -7.688 -12.855 8.504 1.00 21.32 C ATOM 1288 NH1 ARG A 80 -8.277 -12.196 9.492 1.00 52.31 N ATOM 1289 NH2 ARG A 80 -8.272 -13.930 7.989 1.00 44.31 N ATOM 0 H ARG A 80 -2.163 -10.167 7.504 1.00 12.23 H new ATOM 0 HA ARG A 80 -2.779 -12.420 6.029 1.00 55.43 H new ATOM 0 HB2 ARG A 80 -4.502 -9.934 6.356 1.00 2.11 H new ATOM 0 HB3 ARG A 80 -5.066 -11.568 6.064 1.00 2.11 H new ATOM 0 HG2 ARG A 80 -3.868 -12.163 8.302 1.00 54.12 H new ATOM 0 HG3 ARG A 80 -3.831 -10.434 8.582 1.00 54.12 H new ATOM 0 HD2 ARG A 80 -5.825 -11.283 9.630 1.00 44.14 H new ATOM 0 HD3 ARG A 80 -6.326 -10.367 8.222 1.00 44.14 H new ATOM 0 HE ARG A 80 -6.090 -12.971 7.271 1.00 74.41 H new ATOM 0 HH11 ARG A 80 -7.831 -11.370 9.891 1.00 52.31 H new ATOM 0 HH12 ARG A 80 -9.176 -12.515 9.853 1.00 52.31 H new ATOM 0 HH21 ARG A 80 -7.822 -14.440 7.229 1.00 44.31 H new ATOM 0 HH22 ARG A 80 -9.171 -14.246 8.353 1.00 44.31 H new ATOM 1303 N CYS A 81 -2.604 -9.693 4.202 1.00 22.41 N ATOM 1304 CA CYS A 81 -2.547 -9.197 2.832 1.00 55.13 C ATOM 1305 C CYS A 81 -1.106 -9.119 2.341 1.00 44.53 C ATOM 1306 O CYS A 81 -0.199 -8.770 3.098 1.00 62.43 O ATOM 1307 CB CYS A 81 -3.206 -7.820 2.739 1.00 53.23 C ATOM 1308 SG CYS A 81 -2.242 -6.488 3.491 1.00 51.11 S ATOM 0 H CYS A 81 -2.393 -8.993 4.913 1.00 22.41 H new ATOM 0 HA CYS A 81 -3.090 -9.896 2.196 1.00 55.13 H new ATOM 0 HB2 CYS A 81 -3.378 -7.582 1.689 1.00 53.23 H new ATOM 0 HB3 CYS A 81 -4.183 -7.863 3.220 1.00 53.23 H new ATOM 0 HG CYS A 81 -2.716 -6.223 4.672 1.00 51.11 H new ATOM 1314 N HIS A 82 -0.900 -9.446 1.069 1.00 74.11 N ATOM 1315 CA HIS A 82 0.432 -9.414 0.477 1.00 42.14 C ATOM 1316 C HIS A 82 0.849 -7.982 0.155 1.00 62.01 C ATOM 1317 O HIS A 82 0.086 -7.223 -0.442 1.00 51.44 O ATOM 1318 CB HIS A 82 0.470 -10.266 -0.793 1.00 11.25 C ATOM 1319 CG HIS A 82 1.852 -10.679 -1.196 1.00 11.22 C ATOM 1320 ND1 HIS A 82 2.692 -11.399 -0.373 1.00 61.44 N ATOM 1321 CD2 HIS A 82 2.539 -10.470 -2.343 1.00 40.11 C ATOM 1322 CE1 HIS A 82 3.837 -11.614 -0.997 1.00 31.32 C ATOM 1323 NE2 HIS A 82 3.770 -11.061 -2.194 1.00 54.22 N ATOM 0 H HIS A 82 -1.639 -9.736 0.429 1.00 74.11 H new ATOM 0 HA HIS A 82 1.135 -9.825 1.202 1.00 42.14 H new ATOM 0 HB2 HIS A 82 -0.137 -11.158 -0.640 1.00 11.25 H new ATOM 0 HB3 HIS A 82 0.014 -9.706 -1.610 1.00 11.25 H new ATOM 0 HD2 HIS A 82 2.185 -9.938 -3.214 1.00 40.11 H new ATOM 0 HE1 HIS A 82 4.684 -12.151 -0.596 1.00 31.32 H new ATOM 0 HE2 HIS A 82 4.512 -11.071 -2.894 1.00 54.22 H new ATOM 1331 N ILE A 83 2.064 -7.621 0.555 1.00 15.52 N ATOM 1332 CA ILE A 83 2.581 -6.280 0.309 1.00 61.41 C ATOM 1333 C ILE A 83 3.738 -6.312 -0.684 1.00 50.30 C ATOM 1334 O ILE A 83 4.602 -7.185 -0.617 1.00 61.12 O ATOM 1335 CB ILE A 83 3.056 -5.612 1.613 1.00 62.04 C ATOM 1336 CG1 ILE A 83 2.150 -6.015 2.778 1.00 52.14 C ATOM 1337 CG2 ILE A 83 3.082 -4.099 1.453 1.00 23.22 C ATOM 1338 CD1 ILE A 83 2.516 -5.350 4.086 1.00 22.21 C ATOM 0 H ILE A 83 2.708 -8.238 1.050 1.00 15.52 H new ATOM 0 HA ILE A 83 1.761 -5.697 -0.110 1.00 61.41 H new ATOM 0 HB ILE A 83 4.068 -5.952 1.831 1.00 62.04 H new ATOM 0 HG12 ILE A 83 1.119 -5.765 2.529 1.00 52.14 H new ATOM 0 HG13 ILE A 83 2.194 -7.097 2.905 1.00 52.14 H new ATOM 0 HG21 ILE A 83 3.420 -3.641 2.382 1.00 23.22 H new ATOM 0 HG22 ILE A 83 3.765 -3.830 0.647 1.00 23.22 H new ATOM 0 HG23 ILE A 83 2.080 -3.741 1.215 1.00 23.22 H new ATOM 0 HD11 ILE A 83 1.832 -5.682 4.867 1.00 22.21 H new ATOM 0 HD12 ILE A 83 3.536 -5.620 4.358 1.00 22.21 H new ATOM 0 HD13 ILE A 83 2.444 -4.268 3.977 1.00 22.21 H new ATOM 1350 N GLU A 84 3.748 -5.351 -1.603 1.00 70.43 N ATOM 1351 CA GLU A 84 4.800 -5.269 -2.610 1.00 20.04 C ATOM 1352 C GLU A 84 5.179 -3.816 -2.883 1.00 73.32 C ATOM 1353 O GLU A 84 4.451 -2.893 -2.517 1.00 71.21 O ATOM 1354 CB GLU A 84 4.349 -5.943 -3.907 1.00 62.11 C ATOM 1355 CG GLU A 84 5.389 -6.879 -4.500 1.00 42.21 C ATOM 1356 CD GLU A 84 5.049 -7.308 -5.914 1.00 42.12 C ATOM 1357 OE1 GLU A 84 3.934 -7.829 -6.125 1.00 0.31 O ATOM 1358 OE2 GLU A 84 5.899 -7.122 -6.810 1.00 61.43 O ATOM 0 H GLU A 84 3.041 -4.619 -1.671 1.00 70.43 H new ATOM 0 HA GLU A 84 5.677 -5.789 -2.226 1.00 20.04 H new ATOM 0 HB2 GLU A 84 3.434 -6.504 -3.716 1.00 62.11 H new ATOM 0 HB3 GLU A 84 4.104 -5.174 -4.640 1.00 62.11 H new ATOM 0 HG2 GLU A 84 6.360 -6.385 -4.498 1.00 42.21 H new ATOM 0 HG3 GLU A 84 5.480 -7.763 -3.868 1.00 42.21 H new ATOM 1365 N LYS A 85 6.323 -3.621 -3.529 1.00 63.12 N ATOM 1366 CA LYS A 85 6.801 -2.282 -3.854 1.00 34.13 C ATOM 1367 C LYS A 85 6.164 -1.776 -5.144 1.00 43.41 C ATOM 1368 O LYS A 85 6.122 -2.487 -6.147 1.00 44.03 O ATOM 1369 CB LYS A 85 8.325 -2.281 -3.989 1.00 51.34 C ATOM 1370 CG LYS A 85 9.054 -2.396 -2.662 1.00 32.32 C ATOM 1371 CD LYS A 85 10.517 -2.757 -2.858 1.00 52.45 C ATOM 1372 CE LYS A 85 10.678 -4.188 -3.346 1.00 35.52 C ATOM 1373 NZ LYS A 85 11.569 -4.981 -2.454 1.00 72.12 N ATOM 0 H LYS A 85 6.937 -4.374 -3.838 1.00 63.12 H new ATOM 0 HA LYS A 85 6.515 -1.613 -3.042 1.00 34.13 H new ATOM 0 HB2 LYS A 85 8.625 -3.109 -4.631 1.00 51.34 H new ATOM 0 HB3 LYS A 85 8.637 -1.363 -4.487 1.00 51.34 H new ATOM 0 HG2 LYS A 85 8.981 -1.452 -2.123 1.00 32.32 H new ATOM 0 HG3 LYS A 85 8.571 -3.154 -2.045 1.00 32.32 H new ATOM 0 HD2 LYS A 85 10.968 -2.073 -3.577 1.00 52.45 H new ATOM 0 HD3 LYS A 85 11.053 -2.630 -1.918 1.00 52.45 H new ATOM 0 HE2 LYS A 85 9.700 -4.666 -3.400 1.00 35.52 H new ATOM 0 HE3 LYS A 85 11.087 -4.183 -4.357 1.00 35.52 H new ATOM 0 HZ1 LYS A 85 11.653 -5.951 -2.821 1.00 72.12 H new ATOM 0 HZ2 LYS A 85 12.510 -4.540 -2.422 1.00 72.12 H new ATOM 0 HZ3 LYS A 85 11.166 -5.007 -1.495 1.00 72.12 H new ATOM 1387 N ALA A 86 5.672 -0.542 -5.111 1.00 15.21 N ATOM 1388 CA ALA A 86 5.041 0.061 -6.279 1.00 31.32 C ATOM 1389 C ALA A 86 6.079 0.700 -7.195 1.00 22.32 C ATOM 1390 O ALA A 86 7.184 1.029 -6.764 1.00 2.34 O ATOM 1391 CB ALA A 86 4.008 1.092 -5.848 1.00 63.21 C ATOM 0 H ALA A 86 5.698 0.060 -4.288 1.00 15.21 H new ATOM 0 HA ALA A 86 4.539 -0.728 -6.838 1.00 31.32 H new ATOM 0 HB1 ALA A 86 3.545 1.534 -6.730 1.00 63.21 H new ATOM 0 HB2 ALA A 86 3.243 0.609 -5.240 1.00 63.21 H new ATOM 0 HB3 ALA A 86 4.495 1.873 -5.264 1.00 63.21 H new ATOM 1397 N LYS A 87 5.718 0.872 -8.462 1.00 34.32 N ATOM 1398 CA LYS A 87 6.617 1.472 -9.440 1.00 20.21 C ATOM 1399 C LYS A 87 5.845 2.339 -10.429 1.00 11.43 C ATOM 1400 O LYS A 87 4.692 2.055 -10.750 1.00 12.41 O ATOM 1401 CB LYS A 87 7.385 0.383 -10.192 1.00 64.03 C ATOM 1402 CG LYS A 87 6.540 -0.367 -11.207 1.00 20.42 C ATOM 1403 CD LYS A 87 6.642 -1.871 -11.015 1.00 23.23 C ATOM 1404 CE LYS A 87 5.356 -2.574 -11.422 1.00 43.10 C ATOM 1405 NZ LYS A 87 5.620 -3.919 -12.004 1.00 73.11 N ATOM 0 H LYS A 87 4.808 0.604 -8.836 1.00 34.32 H new ATOM 0 HA LYS A 87 7.325 2.105 -8.905 1.00 20.21 H new ATOM 0 HB2 LYS A 87 8.234 0.836 -10.703 1.00 64.03 H new ATOM 0 HB3 LYS A 87 7.789 -0.328 -9.472 1.00 64.03 H new ATOM 0 HG2 LYS A 87 5.499 -0.057 -11.115 1.00 20.42 H new ATOM 0 HG3 LYS A 87 6.863 -0.105 -12.215 1.00 20.42 H new ATOM 0 HD2 LYS A 87 7.472 -2.259 -11.605 1.00 23.23 H new ATOM 0 HD3 LYS A 87 6.863 -2.091 -9.971 1.00 23.23 H new ATOM 0 HE2 LYS A 87 4.707 -2.676 -10.552 1.00 43.10 H new ATOM 0 HE3 LYS A 87 4.822 -1.962 -12.149 1.00 43.10 H new ATOM 0 HZ1 LYS A 87 4.719 -4.366 -12.269 1.00 73.11 H new ATOM 0 HZ2 LYS A 87 6.219 -3.820 -12.849 1.00 73.11 H new ATOM 0 HZ3 LYS A 87 6.107 -4.512 -11.302 1.00 73.11 H new ATOM 1419 N GLY A 88 6.490 3.398 -10.909 1.00 54.35 N ATOM 1420 CA GLY A 88 5.848 4.290 -11.858 1.00 20.11 C ATOM 1421 C GLY A 88 5.580 5.663 -11.274 1.00 23.45 C ATOM 1422 O GLY A 88 5.927 5.935 -10.124 1.00 1.43 O ATOM 0 H GLY A 88 7.445 3.654 -10.658 1.00 54.35 H new ATOM 0 HA2 GLY A 88 6.479 4.391 -12.741 1.00 20.11 H new ATOM 0 HA3 GLY A 88 4.907 3.849 -12.187 1.00 20.11 H new ATOM 1426 N THR A 89 4.962 6.532 -12.067 1.00 64.03 N ATOM 1427 CA THR A 89 4.651 7.885 -11.623 1.00 61.25 C ATOM 1428 C THR A 89 3.338 7.921 -10.850 1.00 3.15 C ATOM 1429 O THR A 89 2.632 6.917 -10.759 1.00 23.43 O ATOM 1430 CB THR A 89 4.560 8.859 -12.813 1.00 13.20 C ATOM 1431 OG1 THR A 89 3.350 8.629 -13.543 1.00 74.21 O ATOM 1432 CG2 THR A 89 5.756 8.696 -13.739 1.00 14.30 C ATOM 0 H THR A 89 4.667 6.323 -13.021 1.00 64.03 H new ATOM 0 HA THR A 89 5.464 8.198 -10.968 1.00 61.25 H new ATOM 0 HB THR A 89 4.560 9.876 -12.422 1.00 13.20 H new ATOM 0 HG1 THR A 89 3.299 9.253 -14.297 1.00 74.21 H new ATOM 0 HG21 THR A 89 5.669 9.394 -14.572 1.00 14.30 H new ATOM 0 HG22 THR A 89 6.674 8.901 -13.188 1.00 14.30 H new ATOM 0 HG23 THR A 89 5.783 7.676 -14.122 1.00 14.30 H new ATOM 1440 N ASP A 90 3.017 9.084 -10.294 1.00 14.01 N ATOM 1441 CA ASP A 90 1.787 9.251 -9.529 1.00 15.53 C ATOM 1442 C ASP A 90 0.572 8.837 -10.354 1.00 44.10 C ATOM 1443 O ASP A 90 -0.354 8.210 -9.840 1.00 42.44 O ATOM 1444 CB ASP A 90 1.638 10.704 -9.073 1.00 53.04 C ATOM 1445 CG ASP A 90 1.938 11.692 -10.183 1.00 43.21 C ATOM 1446 OD1 ASP A 90 3.131 11.885 -10.499 1.00 62.14 O ATOM 1447 OD2 ASP A 90 0.981 12.272 -10.736 1.00 12.32 O ATOM 0 H ASP A 90 3.591 9.925 -10.359 1.00 14.01 H new ATOM 0 HA ASP A 90 1.844 8.607 -8.652 1.00 15.53 H new ATOM 0 HB2 ASP A 90 0.623 10.866 -8.711 1.00 53.04 H new ATOM 0 HB3 ASP A 90 2.309 10.889 -8.234 1.00 53.04 H new ATOM 1452 N GLN A 91 0.584 9.193 -11.635 1.00 24.34 N ATOM 1453 CA GLN A 91 -0.517 8.859 -12.530 1.00 0.10 C ATOM 1454 C GLN A 91 -0.565 7.358 -12.798 1.00 13.43 C ATOM 1455 O GLN A 91 -1.642 6.776 -12.923 1.00 71.13 O ATOM 1456 CB GLN A 91 -0.378 9.620 -13.849 1.00 50.44 C ATOM 1457 CG GLN A 91 -1.373 10.760 -14.002 1.00 25.01 C ATOM 1458 CD GLN A 91 -2.813 10.291 -13.936 1.00 25.34 C ATOM 1459 OE1 GLN A 91 -3.334 9.714 -14.890 1.00 71.22 O ATOM 1460 NE2 GLN A 91 -3.464 10.536 -12.805 1.00 1.13 N ATOM 0 H GLN A 91 1.343 9.712 -12.075 1.00 24.34 H new ATOM 0 HA GLN A 91 -1.448 9.153 -12.045 1.00 0.10 H new ATOM 0 HB2 GLN A 91 0.634 10.019 -13.924 1.00 50.44 H new ATOM 0 HB3 GLN A 91 -0.507 8.923 -14.677 1.00 50.44 H new ATOM 0 HG2 GLN A 91 -1.199 11.497 -13.218 1.00 25.01 H new ATOM 0 HG3 GLN A 91 -1.202 11.261 -14.955 1.00 25.01 H new ATOM 0 HE21 GLN A 91 -2.993 11.018 -12.039 1.00 1.13 H new ATOM 0 HE22 GLN A 91 -4.435 10.243 -12.702 1.00 1.13 H new ATOM 1469 N GLN A 92 0.608 6.740 -12.884 1.00 72.42 N ATOM 1470 CA GLN A 92 0.698 5.307 -13.138 1.00 61.33 C ATOM 1471 C GLN A 92 0.097 4.510 -11.985 1.00 10.31 C ATOM 1472 O GLN A 92 -0.534 3.475 -12.195 1.00 42.30 O ATOM 1473 CB GLN A 92 2.156 4.896 -13.352 1.00 1.12 C ATOM 1474 CG GLN A 92 2.527 4.705 -14.814 1.00 14.23 C ATOM 1475 CD GLN A 92 3.357 3.459 -15.047 1.00 60.34 C ATOM 1476 OE1 GLN A 92 2.820 2.365 -15.224 1.00 73.12 O ATOM 1477 NE2 GLN A 92 4.675 3.617 -15.049 1.00 44.15 N ATOM 0 H GLN A 92 1.508 7.208 -12.782 1.00 72.42 H new ATOM 0 HA GLN A 92 0.129 5.088 -14.042 1.00 61.33 H new ATOM 0 HB2 GLN A 92 2.806 5.655 -12.917 1.00 1.12 H new ATOM 0 HB3 GLN A 92 2.346 3.967 -12.814 1.00 1.12 H new ATOM 0 HG2 GLN A 92 1.617 4.648 -15.411 1.00 14.23 H new ATOM 0 HG3 GLN A 92 3.082 5.577 -15.161 1.00 14.23 H new ATOM 0 HE21 GLN A 92 5.078 4.542 -14.898 1.00 44.15 H new ATOM 0 HE22 GLN A 92 5.285 2.814 -15.201 1.00 44.15 H new ATOM 1486 N ASN A 93 0.298 5.001 -10.766 1.00 34.51 N ATOM 1487 CA ASN A 93 -0.224 4.334 -9.578 1.00 72.45 C ATOM 1488 C ASN A 93 -1.718 4.600 -9.417 1.00 63.21 C ATOM 1489 O ASN A 93 -2.499 3.684 -9.159 1.00 22.23 O ATOM 1490 CB ASN A 93 0.527 4.805 -8.332 1.00 10.13 C ATOM 1491 CG ASN A 93 1.903 4.178 -8.214 1.00 51.51 C ATOM 1492 OD1 ASN A 93 2.279 3.674 -7.156 1.00 2.10 O ATOM 1493 ND2 ASN A 93 2.661 4.208 -9.304 1.00 4.12 N ATOM 0 H ASN A 93 0.818 5.857 -10.575 1.00 34.51 H new ATOM 0 HA ASN A 93 -0.075 3.261 -9.699 1.00 72.45 H new ATOM 0 HB2 ASN A 93 0.626 5.890 -8.360 1.00 10.13 H new ATOM 0 HB3 ASN A 93 -0.058 4.561 -7.445 1.00 10.13 H new ATOM 0 HD21 ASN A 93 3.597 3.802 -9.286 1.00 4.12 H new ATOM 0 HD22 ASN A 93 2.307 4.637 -10.159 1.00 4.12 H new ATOM 1500 N LYS A 94 -2.108 5.860 -9.572 1.00 15.32 N ATOM 1501 CA LYS A 94 -3.508 6.249 -9.446 1.00 31.14 C ATOM 1502 C LYS A 94 -4.361 5.563 -10.508 1.00 32.01 C ATOM 1503 O LYS A 94 -5.463 5.095 -10.224 1.00 54.52 O ATOM 1504 CB LYS A 94 -3.650 7.768 -9.565 1.00 62.03 C ATOM 1505 CG LYS A 94 -5.066 8.267 -9.338 1.00 74.50 C ATOM 1506 CD LYS A 94 -5.106 9.777 -9.174 1.00 35.45 C ATOM 1507 CE LYS A 94 -6.330 10.219 -8.385 1.00 44.11 C ATOM 1508 NZ LYS A 94 -6.623 11.666 -8.582 1.00 22.21 N ATOM 0 H LYS A 94 -1.474 6.630 -9.785 1.00 15.32 H new ATOM 0 HA LYS A 94 -3.859 5.934 -8.464 1.00 31.14 H new ATOM 0 HB2 LYS A 94 -2.986 8.244 -8.843 1.00 62.03 H new ATOM 0 HB3 LYS A 94 -3.319 8.079 -10.556 1.00 62.03 H new ATOM 0 HG2 LYS A 94 -5.695 7.975 -10.179 1.00 74.50 H new ATOM 0 HG3 LYS A 94 -5.482 7.793 -8.449 1.00 74.50 H new ATOM 0 HD2 LYS A 94 -4.203 10.113 -8.665 1.00 35.45 H new ATOM 0 HD3 LYS A 94 -5.114 10.251 -10.156 1.00 35.45 H new ATOM 0 HE2 LYS A 94 -7.193 9.628 -8.692 1.00 44.11 H new ATOM 0 HE3 LYS A 94 -6.170 10.022 -7.325 1.00 44.11 H new ATOM 0 HZ1 LYS A 94 -7.463 11.929 -8.028 1.00 22.21 H new ATOM 0 HZ2 LYS A 94 -5.809 12.231 -8.265 1.00 22.21 H new ATOM 0 HZ3 LYS A 94 -6.801 11.850 -9.590 1.00 22.21 H new ATOM 1522 N GLU A 95 -3.843 5.506 -11.731 1.00 23.33 N ATOM 1523 CA GLU A 95 -4.558 4.876 -12.834 1.00 70.22 C ATOM 1524 C GLU A 95 -4.599 3.360 -12.662 1.00 2.15 C ATOM 1525 O GLU A 95 -5.585 2.711 -13.010 1.00 52.02 O ATOM 1526 CB GLU A 95 -3.897 5.231 -14.168 1.00 74.51 C ATOM 1527 CG GLU A 95 -4.117 6.673 -14.591 1.00 52.14 C ATOM 1528 CD GLU A 95 -5.103 6.801 -15.736 1.00 52.44 C ATOM 1529 OE1 GLU A 95 -4.684 6.642 -16.902 1.00 0.33 O ATOM 1530 OE2 GLU A 95 -6.295 7.061 -15.466 1.00 64.31 O ATOM 0 H GLU A 95 -2.931 5.888 -11.982 1.00 23.33 H new ATOM 0 HA GLU A 95 -5.581 5.252 -12.831 1.00 70.22 H new ATOM 0 HB2 GLU A 95 -2.826 5.042 -14.095 1.00 74.51 H new ATOM 0 HB3 GLU A 95 -4.285 4.570 -14.943 1.00 74.51 H new ATOM 0 HG2 GLU A 95 -4.480 7.247 -13.738 1.00 52.14 H new ATOM 0 HG3 GLU A 95 -3.163 7.110 -14.887 1.00 52.14 H new ATOM 1537 N TYR A 96 -3.520 2.803 -12.122 1.00 14.11 N ATOM 1538 CA TYR A 96 -3.431 1.364 -11.905 1.00 44.04 C ATOM 1539 C TYR A 96 -4.589 0.869 -11.045 1.00 54.22 C ATOM 1540 O TYR A 96 -5.320 -0.043 -11.434 1.00 31.14 O ATOM 1541 CB TYR A 96 -2.100 1.009 -11.240 1.00 44.25 C ATOM 1542 CG TYR A 96 -1.942 -0.466 -10.951 1.00 21.44 C ATOM 1543 CD1 TYR A 96 -2.369 -1.007 -9.744 1.00 0.44 C ATOM 1544 CD2 TYR A 96 -1.365 -1.320 -11.883 1.00 32.14 C ATOM 1545 CE1 TYR A 96 -2.226 -2.354 -9.474 1.00 14.01 C ATOM 1546 CE2 TYR A 96 -1.220 -2.669 -11.622 1.00 50.11 C ATOM 1547 CZ TYR A 96 -1.652 -3.181 -10.416 1.00 61.04 C ATOM 1548 OH TYR A 96 -1.508 -4.524 -10.152 1.00 43.25 O ATOM 0 H TYR A 96 -2.696 3.326 -11.827 1.00 14.11 H new ATOM 0 HA TYR A 96 -3.488 0.872 -12.876 1.00 44.04 H new ATOM 0 HB2 TYR A 96 -1.283 1.334 -11.885 1.00 44.25 H new ATOM 0 HB3 TYR A 96 -2.010 1.565 -10.307 1.00 44.25 H new ATOM 0 HD1 TYR A 96 -2.821 -0.363 -9.004 1.00 0.44 H new ATOM 0 HD2 TYR A 96 -1.024 -0.922 -12.828 1.00 32.14 H new ATOM 0 HE1 TYR A 96 -2.562 -2.757 -8.530 1.00 14.01 H new ATOM 0 HE2 TYR A 96 -0.771 -3.319 -12.358 1.00 50.11 H new ATOM 0 HH TYR A 96 -1.087 -4.965 -10.919 1.00 43.25 H new ATOM 1558 N CYS A 97 -4.751 1.478 -9.876 1.00 32.13 N ATOM 1559 CA CYS A 97 -5.821 1.100 -8.959 1.00 0.32 C ATOM 1560 C CYS A 97 -7.188 1.379 -9.574 1.00 73.24 C ATOM 1561 O CYS A 97 -8.145 0.638 -9.347 1.00 11.41 O ATOM 1562 CB CYS A 97 -5.679 1.857 -7.638 1.00 13.55 C ATOM 1563 SG CYS A 97 -4.027 1.767 -6.908 1.00 51.25 S ATOM 0 H CYS A 97 -4.156 2.235 -9.540 1.00 32.13 H new ATOM 0 HA CYS A 97 -5.741 0.030 -8.767 1.00 0.32 H new ATOM 0 HB2 CYS A 97 -5.935 2.904 -7.802 1.00 13.55 H new ATOM 0 HB3 CYS A 97 -6.402 1.460 -6.925 1.00 13.55 H new ATOM 0 HG CYS A 97 -3.201 2.479 -7.615 1.00 51.25 H new ATOM 1569 N SER A 98 -7.273 2.452 -10.354 1.00 11.11 N ATOM 1570 CA SER A 98 -8.525 2.832 -10.998 1.00 61.12 C ATOM 1571 C SER A 98 -8.817 1.929 -12.193 1.00 30.24 C ATOM 1572 O SER A 98 -9.924 1.929 -12.731 1.00 14.52 O ATOM 1573 CB SER A 98 -8.468 4.292 -11.450 1.00 44.35 C ATOM 1574 OG SER A 98 -9.592 4.624 -12.246 1.00 52.23 O ATOM 0 H SER A 98 -6.490 3.074 -10.555 1.00 11.11 H new ATOM 0 HA SER A 98 -9.329 2.715 -10.271 1.00 61.12 H new ATOM 0 HB2 SER A 98 -8.431 4.945 -10.578 1.00 44.35 H new ATOM 0 HB3 SER A 98 -7.553 4.465 -12.017 1.00 44.35 H new ATOM 0 HG SER A 98 -10.016 3.803 -12.572 1.00 52.23 H new ATOM 1580 N LYS A 99 -7.815 1.158 -12.603 1.00 11.53 N ATOM 1581 CA LYS A 99 -7.962 0.249 -13.733 1.00 21.55 C ATOM 1582 C LYS A 99 -9.125 -0.713 -13.509 1.00 40.23 C ATOM 1583 O LYS A 99 -9.698 -1.239 -14.463 1.00 11.14 O ATOM 1584 CB LYS A 99 -6.669 -0.541 -13.950 1.00 3.54 C ATOM 1585 CG LYS A 99 -6.707 -1.448 -15.167 1.00 41.22 C ATOM 1586 CD LYS A 99 -5.410 -2.223 -15.326 1.00 3.10 C ATOM 1587 CE LYS A 99 -5.144 -3.117 -14.124 1.00 43.53 C ATOM 1588 NZ LYS A 99 -4.660 -4.465 -14.532 1.00 5.52 N ATOM 0 H LYS A 99 -6.892 1.145 -12.169 1.00 11.53 H new ATOM 0 HA LYS A 99 -8.171 0.845 -14.622 1.00 21.55 H new ATOM 0 HB2 LYS A 99 -5.839 0.158 -14.054 1.00 3.54 H new ATOM 0 HB3 LYS A 99 -6.469 -1.144 -13.064 1.00 3.54 H new ATOM 0 HG2 LYS A 99 -7.540 -2.145 -15.076 1.00 41.22 H new ATOM 0 HG3 LYS A 99 -6.887 -0.851 -16.061 1.00 41.22 H new ATOM 0 HD2 LYS A 99 -5.456 -2.831 -16.230 1.00 3.10 H new ATOM 0 HD3 LYS A 99 -4.582 -1.526 -15.453 1.00 3.10 H new ATOM 0 HE2 LYS A 99 -4.404 -2.646 -13.477 1.00 43.53 H new ATOM 0 HE3 LYS A 99 -6.058 -3.221 -13.539 1.00 43.53 H new ATOM 0 HZ1 LYS A 99 -4.490 -5.044 -13.685 1.00 5.52 H new ATOM 0 HZ2 LYS A 99 -5.377 -4.926 -15.128 1.00 5.52 H new ATOM 0 HZ3 LYS A 99 -3.774 -4.368 -15.068 1.00 5.52 H new ATOM 1602 N GLU A 100 -9.468 -0.936 -12.245 1.00 14.35 N ATOM 1603 CA GLU A 100 -10.564 -1.833 -11.898 1.00 60.40 C ATOM 1604 C GLU A 100 -11.912 -1.201 -12.233 1.00 21.31 C ATOM 1605 O GLU A 100 -12.903 -1.900 -12.442 1.00 43.00 O ATOM 1606 CB GLU A 100 -10.510 -2.189 -10.411 1.00 15.02 C ATOM 1607 CG GLU A 100 -9.764 -3.480 -10.120 1.00 43.10 C ATOM 1608 CD GLU A 100 -8.261 -3.329 -10.261 1.00 74.23 C ATOM 1609 OE1 GLU A 100 -7.623 -2.826 -9.314 1.00 13.34 O ATOM 1610 OE2 GLU A 100 -7.724 -3.716 -11.321 1.00 12.44 O ATOM 0 H GLU A 100 -9.003 -0.508 -11.444 1.00 14.35 H new ATOM 0 HA GLU A 100 -10.454 -2.744 -12.486 1.00 60.40 H new ATOM 0 HB2 GLU A 100 -10.033 -1.373 -9.868 1.00 15.02 H new ATOM 0 HB3 GLU A 100 -11.527 -2.273 -10.029 1.00 15.02 H new ATOM 0 HG2 GLU A 100 -9.999 -3.811 -9.108 1.00 43.10 H new ATOM 0 HG3 GLU A 100 -10.113 -4.258 -10.799 1.00 43.10 H new ATOM 1617 N GLY A 101 -11.940 0.127 -12.281 1.00 55.23 N ATOM 1618 CA GLY A 101 -13.171 0.832 -12.590 1.00 41.02 C ATOM 1619 C GLY A 101 -13.960 1.194 -11.347 1.00 65.23 C ATOM 1620 O GLY A 101 -14.932 1.944 -11.418 1.00 21.03 O ATOM 0 H GLY A 101 -11.133 0.727 -12.112 1.00 55.23 H new ATOM 0 HA2 GLY A 101 -12.936 1.740 -13.145 1.00 41.02 H new ATOM 0 HA3 GLY A 101 -13.788 0.212 -13.240 1.00 41.02 H new ATOM 1624 N ASN A 102 -13.541 0.658 -10.206 1.00 24.44 N ATOM 1625 CA ASN A 102 -14.216 0.927 -8.941 1.00 73.45 C ATOM 1626 C ASN A 102 -13.208 1.248 -7.843 1.00 25.51 C ATOM 1627 O ASN A 102 -12.302 0.459 -7.566 1.00 54.12 O ATOM 1628 CB ASN A 102 -15.070 -0.274 -8.530 1.00 74.41 C ATOM 1629 CG ASN A 102 -16.484 0.124 -8.152 1.00 71.23 C ATOM 1630 OD1 ASN A 102 -17.283 0.505 -9.008 1.00 11.13 O ATOM 1631 ND2 ASN A 102 -16.799 0.037 -6.865 1.00 60.11 N ATOM 0 H ASN A 102 -12.737 0.035 -10.131 1.00 24.44 H new ATOM 0 HA ASN A 102 -14.862 1.794 -9.080 1.00 73.45 H new ATOM 0 HB2 ASN A 102 -15.104 -0.990 -9.351 1.00 74.41 H new ATOM 0 HB3 ASN A 102 -14.600 -0.779 -7.686 1.00 74.41 H new ATOM 0 HD21 ASN A 102 -17.736 0.291 -6.551 1.00 60.11 H new ATOM 0 HD22 ASN A 102 -16.104 -0.284 -6.191 1.00 60.11 H new ATOM 1638 N LEU A 103 -13.370 2.409 -7.219 1.00 42.35 N ATOM 1639 CA LEU A 103 -12.474 2.835 -6.150 1.00 0.32 C ATOM 1640 C LEU A 103 -13.109 2.601 -4.783 1.00 4.54 C ATOM 1641 O LEU A 103 -14.239 3.022 -4.531 1.00 22.43 O ATOM 1642 CB LEU A 103 -12.119 4.314 -6.314 1.00 1.13 C ATOM 1643 CG LEU A 103 -11.469 4.705 -7.641 1.00 43.13 C ATOM 1644 CD1 LEU A 103 -10.996 6.150 -7.599 1.00 23.20 C ATOM 1645 CD2 LEU A 103 -10.310 3.772 -7.963 1.00 75.11 C ATOM 0 H LEU A 103 -14.114 3.073 -7.435 1.00 42.35 H new ATOM 0 HA LEU A 103 -11.563 2.240 -6.214 1.00 0.32 H new ATOM 0 HB2 LEU A 103 -13.029 4.901 -6.191 1.00 1.13 H new ATOM 0 HB3 LEU A 103 -11.445 4.597 -5.505 1.00 1.13 H new ATOM 0 HG LEU A 103 -12.215 4.611 -8.430 1.00 43.13 H new ATOM 0 HD11 LEU A 103 -10.536 6.410 -8.552 1.00 23.20 H new ATOM 0 HD12 LEU A 103 -11.847 6.806 -7.416 1.00 23.20 H new ATOM 0 HD13 LEU A 103 -10.266 6.271 -6.799 1.00 23.20 H new ATOM 0 HD21 LEU A 103 -9.859 4.065 -8.911 1.00 75.11 H new ATOM 0 HD22 LEU A 103 -9.563 3.833 -7.172 1.00 75.11 H new ATOM 0 HD23 LEU A 103 -10.677 2.748 -8.037 1.00 75.11 H new ATOM 1657 N LEU A 104 -12.374 1.931 -3.902 1.00 60.22 N ATOM 1658 CA LEU A 104 -12.864 1.643 -2.558 1.00 63.25 C ATOM 1659 C LEU A 104 -12.553 2.794 -1.607 1.00 63.03 C ATOM 1660 O LEU A 104 -13.248 2.995 -0.612 1.00 31.40 O ATOM 1661 CB LEU A 104 -12.239 0.349 -2.033 1.00 51.11 C ATOM 1662 CG LEU A 104 -12.674 -0.086 -0.633 1.00 4.30 C ATOM 1663 CD1 LEU A 104 -13.945 -0.917 -0.703 1.00 31.12 C ATOM 1664 CD2 LEU A 104 -11.561 -0.866 0.053 1.00 52.44 C ATOM 0 H LEU A 104 -11.437 1.577 -4.094 1.00 60.22 H new ATOM 0 HA LEU A 104 -13.946 1.522 -2.610 1.00 63.25 H new ATOM 0 HB2 LEU A 104 -12.475 -0.454 -2.731 1.00 51.11 H new ATOM 0 HB3 LEU A 104 -11.155 0.465 -2.035 1.00 51.11 H new ATOM 0 HG LEU A 104 -12.881 0.807 -0.044 1.00 4.30 H new ATOM 0 HD11 LEU A 104 -14.239 -1.217 0.303 1.00 31.12 H new ATOM 0 HD12 LEU A 104 -14.742 -0.325 -1.153 1.00 31.12 H new ATOM 0 HD13 LEU A 104 -13.766 -1.805 -1.309 1.00 31.12 H new ATOM 0 HD21 LEU A 104 -11.888 -1.168 1.048 1.00 52.44 H new ATOM 0 HD22 LEU A 104 -11.322 -1.752 -0.535 1.00 52.44 H new ATOM 0 HD23 LEU A 104 -10.675 -0.237 0.137 1.00 52.44 H new ATOM 1676 N MET A 105 -11.505 3.548 -1.922 1.00 42.31 N ATOM 1677 CA MET A 105 -11.104 4.682 -1.097 1.00 32.12 C ATOM 1678 C MET A 105 -10.277 5.677 -1.905 1.00 14.24 C ATOM 1679 O MET A 105 -9.400 5.288 -2.674 1.00 62.40 O ATOM 1680 CB MET A 105 -10.303 4.200 0.115 1.00 54.44 C ATOM 1681 CG MET A 105 -9.427 5.278 0.731 1.00 2.50 C ATOM 1682 SD MET A 105 -9.312 5.138 2.525 1.00 44.40 S ATOM 1683 CE MET A 105 -7.720 4.336 2.700 1.00 20.14 C ATOM 0 H MET A 105 -10.918 3.394 -2.742 1.00 42.31 H new ATOM 0 HA MET A 105 -12.007 5.185 -0.750 1.00 32.12 H new ATOM 0 HB2 MET A 105 -10.993 3.828 0.872 1.00 54.44 H new ATOM 0 HB3 MET A 105 -9.676 3.361 -0.185 1.00 54.44 H new ATOM 0 HG2 MET A 105 -8.427 5.218 0.301 1.00 2.50 H new ATOM 0 HG3 MET A 105 -9.827 6.258 0.472 1.00 2.50 H new ATOM 0 HE1 MET A 105 -7.399 4.387 3.741 1.00 20.14 H new ATOM 0 HE2 MET A 105 -7.803 3.292 2.396 1.00 20.14 H new ATOM 0 HE3 MET A 105 -6.987 4.840 2.070 1.00 20.14 H new ATOM 1693 N GLU A 106 -10.564 6.963 -1.724 1.00 34.40 N ATOM 1694 CA GLU A 106 -9.847 8.012 -2.438 1.00 11.41 C ATOM 1695 C GLU A 106 -9.413 9.121 -1.483 1.00 73.01 C ATOM 1696 O GLU A 106 -10.232 9.924 -1.034 1.00 74.05 O ATOM 1697 CB GLU A 106 -10.723 8.595 -3.549 1.00 34.12 C ATOM 1698 CG GLU A 106 -9.952 9.428 -4.558 1.00 52.25 C ATOM 1699 CD GLU A 106 -10.786 10.548 -5.149 1.00 13.51 C ATOM 1700 OE1 GLU A 106 -11.901 10.266 -5.636 1.00 22.12 O ATOM 1701 OE2 GLU A 106 -10.324 11.708 -5.123 1.00 42.44 O ATOM 0 H GLU A 106 -11.287 7.302 -1.090 1.00 34.40 H new ATOM 0 HA GLU A 106 -8.956 7.569 -2.883 1.00 11.41 H new ATOM 0 HB2 GLU A 106 -11.224 7.780 -4.071 1.00 34.12 H new ATOM 0 HB3 GLU A 106 -11.501 9.212 -3.100 1.00 34.12 H new ATOM 0 HG2 GLU A 106 -9.071 9.852 -4.076 1.00 52.25 H new ATOM 0 HG3 GLU A 106 -9.597 8.782 -5.361 1.00 52.25 H new ATOM 1708 N CYS A 107 -8.121 9.158 -1.177 1.00 33.31 N ATOM 1709 CA CYS A 107 -7.578 10.166 -0.274 1.00 41.53 C ATOM 1710 C CYS A 107 -6.150 10.533 -0.665 1.00 50.33 C ATOM 1711 O CYS A 107 -5.581 9.956 -1.591 1.00 12.10 O ATOM 1712 CB CYS A 107 -7.610 9.660 1.169 1.00 54.44 C ATOM 1713 SG CYS A 107 -9.268 9.587 1.888 1.00 64.01 S ATOM 0 H CYS A 107 -7.430 8.502 -1.541 1.00 33.31 H new ATOM 0 HA CYS A 107 -8.198 11.059 -0.352 1.00 41.53 H new ATOM 0 HB2 CYS A 107 -7.166 8.665 1.204 1.00 54.44 H new ATOM 0 HB3 CYS A 107 -6.987 10.309 1.784 1.00 54.44 H new ATOM 0 HG CYS A 107 -10.155 9.722 0.947 1.00 64.01 H new ATOM 1719 N GLY A 108 -5.576 11.499 0.046 1.00 15.22 N ATOM 1720 CA GLY A 108 -4.221 11.928 -0.243 1.00 5.02 C ATOM 1721 C GLY A 108 -4.104 12.614 -1.589 1.00 40.43 C ATOM 1722 O GLY A 108 -5.097 12.778 -2.298 1.00 65.52 O ATOM 0 H GLY A 108 -6.026 11.992 0.817 1.00 15.22 H new ATOM 0 HA2 GLY A 108 -3.884 12.609 0.539 1.00 5.02 H new ATOM 0 HA3 GLY A 108 -3.557 11.064 -0.220 1.00 5.02 H new