USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 771 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 54 SER OG : rot -163:sc= 0.868 USER MOD Set 1.2: A 61 CYS SG : rot -93:sc= 0.738 USER MOD Set 1.3: A 63 HIS : no HD1:sc= 1.75 K(o=3.4,f=-5.7) USER MOD Set 2.1: A 35 GLN : amide:sc= -1.46 K(o=-1,f=-2.4!) USER MOD Set 2.2: A 39 SER OG : rot 82:sc= 0.458 USER MOD Single : A 20 HIS : no HE2:sc= -4.97! C(o=-5!,f=-5.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.487 X(o=0.49,f=0.27) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.0611 X(o=-0.061,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.829 X(o=-0.83,f=-0.64) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -126:sc= 0.0573 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -1.73 K(o=-1.7,f=-12!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 29:sc= -0.387 USER MOD Single : A 65 MET CE :methyl -126:sc= -0.0322 (180deg=-1.45) USER MOD Single : A 67 LYS NZ :NH3+ -121:sc= -1.3 (180deg=-3.02!) USER MOD Single : A 73 THR OG1 : rot -158:sc= -3.41! USER MOD Single : A 75 MET CE :methyl 180:sc= -0.231 (180deg=-0.231) USER MOD Single : A 80 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0032) USER MOD Single : A 83 HIS : no HD1:sc= -10.3! C(o=-10!,f=-6.7!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 6:sc= 0.2 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-1.7) USER MOD Single : A 94 GLN : amide:sc= -0.138 K(o=-0.14,f=-2.4!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -1.58 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 CYS SG : rot 170:sc= -1.16 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 15 -8.141 2.206 -15.943 1.00 0.00 N ATOM 156 CA VAL A 15 -7.426 2.447 -14.695 1.00 0.00 C ATOM 157 C VAL A 15 -7.090 3.924 -14.530 1.00 0.00 C ATOM 158 O VAL A 15 -6.660 4.596 -15.467 1.00 0.00 O ATOM 159 CB VAL A 15 -6.126 1.625 -14.625 1.00 0.00 C ATOM 160 CG1 VAL A 15 -5.155 2.067 -15.709 1.00 0.00 C ATOM 161 CG2 VAL A 15 -5.491 1.748 -13.248 1.00 0.00 C ATOM 0 HA VAL A 15 -8.088 2.136 -13.887 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.371 0.577 -14.795 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.242 1.475 -15.643 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.612 1.922 -16.688 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.914 3.121 -15.574 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.573 1.161 -13.217 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.259 2.794 -13.046 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.185 1.378 -12.493 1.00 0.00 H new ATOM 171 N PRO A 16 -7.291 4.444 -13.309 1.00 0.00 N ATOM 172 CA PRO A 16 -7.015 5.848 -12.993 1.00 0.00 C ATOM 173 C PRO A 16 -5.521 6.159 -12.986 1.00 0.00 C ATOM 174 O PRO A 16 -4.694 5.273 -13.202 1.00 0.00 O ATOM 175 CB PRO A 16 -7.601 6.016 -11.589 1.00 0.00 C ATOM 176 CG PRO A 16 -7.575 4.649 -11.001 1.00 0.00 C ATOM 177 CD PRO A 16 -7.802 3.701 -12.146 1.00 0.00 C ATOM 0 HA PRO A 16 -7.443 6.524 -13.734 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.011 6.714 -10.995 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.616 6.411 -11.629 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.620 4.452 -10.515 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.349 4.536 -10.242 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.268 2.762 -12.002 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.857 3.453 -12.259 1.00 0.00 H new ATOM 185 N GLU A 17 -5.185 7.420 -12.739 1.00 0.00 N ATOM 186 CA GLU A 17 -3.790 7.845 -12.706 1.00 0.00 C ATOM 187 C GLU A 17 -3.219 7.727 -11.296 1.00 0.00 C ATOM 188 O GLU A 17 -2.016 7.540 -11.116 1.00 0.00 O ATOM 189 CB GLU A 17 -3.662 9.288 -13.200 1.00 0.00 C ATOM 190 CG GLU A 17 -4.390 10.297 -12.329 1.00 0.00 C ATOM 191 CD GLU A 17 -4.875 11.502 -13.112 1.00 0.00 C ATOM 192 OE1 GLU A 17 -5.758 11.331 -13.977 1.00 0.00 O ATOM 193 OE2 GLU A 17 -4.371 12.616 -12.857 1.00 0.00 O ATOM 0 H GLU A 17 -5.858 8.165 -12.559 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.221 7.190 -13.366 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.606 9.555 -13.245 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.051 9.351 -14.216 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.242 9.812 -11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.725 10.630 -11.532 1.00 0.00 H new ATOM 200 N TRP A 18 -4.090 7.838 -10.299 1.00 0.00 N ATOM 201 CA TRP A 18 -3.673 7.744 -8.905 1.00 0.00 C ATOM 202 C TRP A 18 -3.331 6.304 -8.535 1.00 0.00 C ATOM 203 O TRP A 18 -2.864 6.032 -7.429 1.00 0.00 O ATOM 204 CB TRP A 18 -4.774 8.272 -7.985 1.00 0.00 C ATOM 205 CG TRP A 18 -6.110 7.640 -8.234 1.00 0.00 C ATOM 206 CD1 TRP A 18 -7.122 8.138 -9.004 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.580 6.393 -7.709 1.00 0.00 C ATOM 208 NE1 TRP A 18 -8.192 7.276 -8.989 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.884 6.198 -8.202 1.00 0.00 C ATOM 210 CE3 TRP A 18 -6.024 5.422 -6.871 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.639 5.073 -7.884 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.774 4.306 -6.556 1.00 0.00 C ATOM 213 CH2 TRP A 18 -8.071 4.138 -7.062 1.00 0.00 C ATOM 0 H TRP A 18 -5.090 7.993 -10.430 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.779 8.355 -8.777 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.486 8.098 -6.948 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.860 9.351 -8.116 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -7.087 9.072 -9.545 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.073 7.416 -9.484 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.026 5.542 -6.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.638 4.942 -8.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.355 3.550 -5.909 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.632 3.254 -6.798 1.00 0.00 H new ATOM 224 N PHE A 19 -3.565 5.387 -9.467 1.00 0.00 N ATOM 225 CA PHE A 19 -3.282 3.975 -9.237 1.00 0.00 C ATOM 226 C PHE A 19 -1.988 3.560 -9.931 1.00 0.00 C ATOM 227 O PHE A 19 -1.959 3.358 -11.145 1.00 0.00 O ATOM 228 CB PHE A 19 -4.443 3.112 -9.740 1.00 0.00 C ATOM 229 CG PHE A 19 -4.253 1.645 -9.483 1.00 0.00 C ATOM 230 CD1 PHE A 19 -4.558 1.100 -8.246 1.00 0.00 C ATOM 231 CD2 PHE A 19 -3.771 0.810 -10.478 1.00 0.00 C ATOM 232 CE1 PHE A 19 -4.384 -0.250 -8.006 1.00 0.00 C ATOM 233 CE2 PHE A 19 -3.596 -0.540 -10.245 1.00 0.00 C ATOM 234 CZ PHE A 19 -3.904 -1.072 -9.007 1.00 0.00 C ATOM 0 H PHE A 19 -3.950 5.596 -10.388 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.163 3.824 -8.164 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.365 3.441 -9.260 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.567 3.272 -10.811 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.936 1.737 -7.460 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.529 1.220 -11.448 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.623 -0.662 -7.037 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.219 -1.179 -11.029 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.770 -2.128 -8.823 1.00 0.00 H new ATOM 244 N HIS A 20 -0.919 3.435 -9.151 1.00 0.00 N ATOM 245 CA HIS A 20 0.379 3.045 -9.689 1.00 0.00 C ATOM 246 C HIS A 20 0.603 1.543 -9.531 1.00 0.00 C ATOM 247 O HIS A 20 1.705 1.101 -9.210 1.00 0.00 O ATOM 248 CB HIS A 20 1.498 3.815 -8.988 1.00 0.00 C ATOM 249 CG HIS A 20 1.377 5.302 -9.123 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.267 6.067 -9.846 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.461 6.164 -8.623 1.00 0.00 C ATOM 252 CE1 HIS A 20 1.905 7.336 -9.785 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.812 7.421 -9.049 1.00 0.00 N ATOM 0 H HIS A 20 -0.926 3.598 -8.144 1.00 0.00 H new ATOM 0 HA HIS A 20 0.392 3.288 -10.752 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.500 3.553 -7.930 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.457 3.498 -9.397 1.00 0.00 H new ATOM 0 HD1 HIS A 20 3.079 5.709 -10.350 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.387 5.910 -8.005 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.416 8.163 -10.256 1.00 0.00 H new ATOM 261 N GLY A 21 -0.452 0.765 -9.757 1.00 0.00 N ATOM 262 CA GLY A 21 -0.350 -0.677 -9.634 1.00 0.00 C ATOM 263 C GLY A 21 0.492 -1.099 -8.446 1.00 0.00 C ATOM 264 O GLY A 21 0.044 -1.026 -7.302 1.00 0.00 O ATOM 0 H GLY A 21 -1.375 1.108 -10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.349 -1.102 -9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.083 -1.087 -10.546 1.00 0.00 H new ATOM 268 N ALA A 22 1.715 -1.544 -8.716 1.00 0.00 N ATOM 269 CA ALA A 22 2.620 -1.979 -7.661 1.00 0.00 C ATOM 270 C ALA A 22 3.981 -1.303 -7.790 1.00 0.00 C ATOM 271 O ALA A 22 4.848 -1.768 -8.531 1.00 0.00 O ATOM 272 CB ALA A 22 2.776 -3.492 -7.690 1.00 0.00 C ATOM 0 H ALA A 22 2.101 -1.612 -9.658 1.00 0.00 H new ATOM 0 HA ALA A 22 2.188 -1.687 -6.704 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.455 -3.803 -6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.804 -3.961 -7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.181 -3.798 -8.655 1.00 0.00 H new ATOM 278 N ILE A 23 4.160 -0.202 -7.068 1.00 0.00 N ATOM 279 CA ILE A 23 5.416 0.537 -7.103 1.00 0.00 C ATOM 280 C ILE A 23 6.245 0.274 -5.851 1.00 0.00 C ATOM 281 O ILE A 23 5.801 -0.419 -4.934 1.00 0.00 O ATOM 282 CB ILE A 23 5.174 2.053 -7.235 1.00 0.00 C ATOM 283 CG1 ILE A 23 4.174 2.525 -6.177 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.674 2.390 -8.632 1.00 0.00 C ATOM 285 CD1 ILE A 23 4.139 4.027 -6.007 1.00 0.00 C ATOM 0 H ILE A 23 3.452 0.198 -6.452 1.00 0.00 H new ATOM 0 HA ILE A 23 5.963 0.186 -7.978 1.00 0.00 H new ATOM 0 HB ILE A 23 6.118 2.573 -7.073 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.178 2.175 -6.448 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.424 2.065 -5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.508 3.464 -8.710 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.417 2.084 -9.368 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.738 1.864 -8.820 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.409 4.290 -5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.124 4.382 -5.705 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.859 4.494 -6.951 1.00 0.00 H new ATOM 297 N SER A 24 7.451 0.832 -5.817 1.00 0.00 N ATOM 298 CA SER A 24 8.343 0.655 -4.677 1.00 0.00 C ATOM 299 C SER A 24 8.291 1.868 -3.753 1.00 0.00 C ATOM 300 O SER A 24 8.129 3.001 -4.207 1.00 0.00 O ATOM 301 CB SER A 24 9.778 0.427 -5.157 1.00 0.00 C ATOM 302 OG SER A 24 9.947 -0.889 -5.655 1.00 0.00 O ATOM 0 H SER A 24 7.833 1.410 -6.566 1.00 0.00 H new ATOM 0 HA SER A 24 8.010 -0.220 -4.119 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.023 1.148 -5.937 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.472 0.600 -4.334 1.00 0.00 H new ATOM 0 HG SER A 24 10.872 -1.008 -5.957 1.00 0.00 H new ATOM 308 N ARG A 25 8.427 1.621 -2.454 1.00 0.00 N ATOM 309 CA ARG A 25 8.393 2.691 -1.465 1.00 0.00 C ATOM 310 C ARG A 25 9.134 3.925 -1.974 1.00 0.00 C ATOM 311 O ARG A 25 8.808 5.051 -1.603 1.00 0.00 O ATOM 312 CB ARG A 25 9.013 2.218 -0.149 1.00 0.00 C ATOM 313 CG ARG A 25 8.470 2.938 1.073 1.00 0.00 C ATOM 314 CD ARG A 25 9.288 4.179 1.399 1.00 0.00 C ATOM 315 NE ARG A 25 10.641 3.844 1.834 1.00 0.00 N ATOM 316 CZ ARG A 25 11.443 4.697 2.461 1.00 0.00 C ATOM 317 NH1 ARG A 25 11.030 5.929 2.724 1.00 0.00 N ATOM 318 NH2 ARG A 25 12.661 4.319 2.826 1.00 0.00 N ATOM 0 H ARG A 25 8.562 0.689 -2.062 1.00 0.00 H new ATOM 0 HA ARG A 25 7.351 2.959 -1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.837 1.148 -0.038 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.093 2.360 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.432 3.221 0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.477 2.262 1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.339 4.821 0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.786 4.749 2.181 1.00 0.00 H new ATOM 0 HE ARG A 25 10.989 2.904 1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.094 6.224 2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.648 6.582 3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.983 3.372 2.625 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.276 4.975 3.307 1.00 0.00 H new ATOM 332 N GLU A 26 10.132 3.702 -2.823 1.00 0.00 N ATOM 333 CA GLU A 26 10.920 4.794 -3.381 1.00 0.00 C ATOM 334 C GLU A 26 10.174 5.472 -4.527 1.00 0.00 C ATOM 335 O GLU A 26 10.046 6.696 -4.562 1.00 0.00 O ATOM 336 CB GLU A 26 12.273 4.279 -3.873 1.00 0.00 C ATOM 337 CG GLU A 26 12.928 3.289 -2.924 1.00 0.00 C ATOM 338 CD GLU A 26 14.442 3.324 -2.998 1.00 0.00 C ATOM 339 OE1 GLU A 26 14.975 3.682 -4.070 1.00 0.00 O ATOM 340 OE2 GLU A 26 15.094 2.992 -1.987 1.00 0.00 O ATOM 0 H GLU A 26 10.414 2.774 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 26 11.085 5.528 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.140 3.804 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.943 5.126 -4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.613 3.507 -1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.580 2.283 -3.157 1.00 0.00 H new ATOM 347 N ASP A 27 9.684 4.667 -5.464 1.00 0.00 N ATOM 348 CA ASP A 27 8.951 5.187 -6.612 1.00 0.00 C ATOM 349 C ASP A 27 7.833 6.124 -6.164 1.00 0.00 C ATOM 350 O ASP A 27 7.649 7.201 -6.730 1.00 0.00 O ATOM 351 CB ASP A 27 8.371 4.038 -7.437 1.00 0.00 C ATOM 352 CG ASP A 27 9.408 3.383 -8.329 1.00 0.00 C ATOM 353 OD1 ASP A 27 10.102 2.460 -7.853 1.00 0.00 O ATOM 354 OD2 ASP A 27 9.526 3.795 -9.502 1.00 0.00 O ATOM 0 H ASP A 27 9.781 3.652 -5.451 1.00 0.00 H new ATOM 0 HA ASP A 27 9.648 5.752 -7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.949 3.290 -6.766 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.553 4.413 -8.051 1.00 0.00 H new ATOM 359 N ALA A 28 7.089 5.704 -5.146 1.00 0.00 N ATOM 360 CA ALA A 28 5.990 6.505 -4.623 1.00 0.00 C ATOM 361 C ALA A 28 6.477 7.878 -4.173 1.00 0.00 C ATOM 362 O ALA A 28 5.953 8.905 -4.605 1.00 0.00 O ATOM 363 CB ALA A 28 5.311 5.780 -3.469 1.00 0.00 C ATOM 0 H ALA A 28 7.228 4.814 -4.668 1.00 0.00 H new ATOM 0 HA ALA A 28 5.265 6.650 -5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.492 6.390 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.920 4.825 -3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.035 5.606 -2.673 1.00 0.00 H new ATOM 369 N GLU A 29 7.482 7.889 -3.303 1.00 0.00 N ATOM 370 CA GLU A 29 8.037 9.138 -2.794 1.00 0.00 C ATOM 371 C GLU A 29 8.599 9.986 -3.931 1.00 0.00 C ATOM 372 O GLU A 29 8.462 11.209 -3.934 1.00 0.00 O ATOM 373 CB GLU A 29 9.136 8.852 -1.768 1.00 0.00 C ATOM 374 CG GLU A 29 8.602 8.510 -0.386 1.00 0.00 C ATOM 375 CD GLU A 29 9.631 8.727 0.706 1.00 0.00 C ATOM 376 OE1 GLU A 29 9.859 9.897 1.083 1.00 0.00 O ATOM 377 OE2 GLU A 29 10.209 7.729 1.185 1.00 0.00 O ATOM 0 H GLU A 29 7.928 7.048 -2.936 1.00 0.00 H new ATOM 0 HA GLU A 29 7.233 9.693 -2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.750 8.026 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.787 9.723 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.723 9.121 -0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.278 7.469 -0.373 1.00 0.00 H new ATOM 384 N ASN A 30 9.232 9.327 -4.897 1.00 0.00 N ATOM 385 CA ASN A 30 9.816 10.021 -6.040 1.00 0.00 C ATOM 386 C ASN A 30 8.729 10.491 -7.003 1.00 0.00 C ATOM 387 O ASN A 30 8.919 11.454 -7.748 1.00 0.00 O ATOM 388 CB ASN A 30 10.798 9.105 -6.771 1.00 0.00 C ATOM 389 CG ASN A 30 12.198 9.177 -6.190 1.00 0.00 C ATOM 390 OD1 ASN A 30 12.992 10.041 -6.562 1.00 0.00 O ATOM 391 ND2 ASN A 30 12.505 8.268 -5.272 1.00 0.00 N ATOM 0 H ASN A 30 9.354 8.314 -4.911 1.00 0.00 H new ATOM 0 HA ASN A 30 10.352 10.895 -5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.439 8.077 -6.720 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.831 9.379 -7.825 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.431 8.267 -4.845 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.815 7.570 -4.994 1.00 0.00 H new ATOM 398 N LEU A 31 7.591 9.808 -6.981 1.00 0.00 N ATOM 399 CA LEU A 31 6.472 10.157 -7.852 1.00 0.00 C ATOM 400 C LEU A 31 5.774 11.421 -7.361 1.00 0.00 C ATOM 401 O LEU A 31 5.179 12.159 -8.149 1.00 0.00 O ATOM 402 CB LEU A 31 5.472 9.001 -7.916 1.00 0.00 C ATOM 403 CG LEU A 31 5.714 7.965 -9.015 1.00 0.00 C ATOM 404 CD1 LEU A 31 5.132 6.618 -8.616 1.00 0.00 C ATOM 405 CD2 LEU A 31 5.117 8.437 -10.333 1.00 0.00 C ATOM 0 H LEU A 31 7.417 9.010 -6.371 1.00 0.00 H new ATOM 0 HA LEU A 31 6.865 10.346 -8.851 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.477 8.489 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.474 9.417 -8.050 1.00 0.00 H new ATOM 0 HG LEU A 31 6.790 7.848 -9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.314 5.894 -9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.606 6.275 -7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.059 6.719 -8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.298 7.688 -11.104 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.043 8.583 -10.215 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.581 9.379 -10.626 1.00 0.00 H new ATOM 417 N LEU A 32 5.853 11.668 -6.059 1.00 0.00 N ATOM 418 CA LEU A 32 5.231 12.846 -5.464 1.00 0.00 C ATOM 419 C LEU A 32 6.250 13.965 -5.279 1.00 0.00 C ATOM 420 O LEU A 32 5.901 15.144 -5.302 1.00 0.00 O ATOM 421 CB LEU A 32 4.600 12.488 -4.117 1.00 0.00 C ATOM 422 CG LEU A 32 3.579 11.349 -4.136 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.328 10.834 -2.727 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.277 11.810 -4.776 1.00 0.00 C ATOM 0 H LEU A 32 6.342 11.068 -5.394 1.00 0.00 H new ATOM 0 HA LEU A 32 4.453 13.197 -6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.398 12.222 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.114 13.378 -3.718 1.00 0.00 H new ATOM 0 HG LEU A 32 3.985 10.533 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.599 10.024 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.262 10.465 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.943 11.644 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.563 10.987 -4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.866 12.643 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.468 12.130 -5.800 1.00 0.00 H new ATOM 436 N GLU A 33 7.512 13.586 -5.098 1.00 0.00 N ATOM 437 CA GLU A 33 8.581 14.560 -4.911 1.00 0.00 C ATOM 438 C GLU A 33 8.566 15.605 -6.021 1.00 0.00 C ATOM 439 O GLU A 33 8.690 16.802 -5.764 1.00 0.00 O ATOM 440 CB GLU A 33 9.940 13.856 -4.875 1.00 0.00 C ATOM 441 CG GLU A 33 10.593 13.726 -6.241 1.00 0.00 C ATOM 442 CD GLU A 33 11.879 12.924 -6.198 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.291 12.521 -5.090 1.00 0.00 O ATOM 444 OE2 GLU A 33 12.475 12.701 -7.273 1.00 0.00 O ATOM 0 H GLU A 33 7.818 12.613 -5.077 1.00 0.00 H new ATOM 0 HA GLU A 33 8.416 15.065 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.608 14.407 -4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.814 12.862 -4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.895 13.250 -6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.802 14.720 -6.636 1.00 0.00 H new ATOM 451 N SER A 34 8.412 15.143 -7.259 1.00 0.00 N ATOM 452 CA SER A 34 8.385 16.038 -8.410 1.00 0.00 C ATOM 453 C SER A 34 6.967 16.530 -8.681 1.00 0.00 C ATOM 454 O SER A 34 6.665 17.013 -9.772 1.00 0.00 O ATOM 455 CB SER A 34 8.935 15.326 -9.647 1.00 0.00 C ATOM 456 OG SER A 34 10.349 15.237 -9.598 1.00 0.00 O ATOM 0 H SER A 34 8.304 14.155 -7.490 1.00 0.00 H new ATOM 0 HA SER A 34 9.013 16.900 -8.185 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.507 14.326 -9.715 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.632 15.864 -10.545 1.00 0.00 H new ATOM 0 HG SER A 34 10.676 14.776 -10.399 1.00 0.00 H new ATOM 462 N GLN A 35 6.102 16.405 -7.680 1.00 0.00 N ATOM 463 CA GLN A 35 4.715 16.837 -7.811 1.00 0.00 C ATOM 464 C GLN A 35 4.399 17.957 -6.826 1.00 0.00 C ATOM 465 O GLN A 35 5.053 18.113 -5.795 1.00 0.00 O ATOM 466 CB GLN A 35 3.768 15.658 -7.583 1.00 0.00 C ATOM 467 CG GLN A 35 3.656 14.726 -8.778 1.00 0.00 C ATOM 468 CD GLN A 35 2.947 15.368 -9.954 1.00 0.00 C ATOM 469 OE1 GLN A 35 1.845 15.901 -9.814 1.00 0.00 O ATOM 470 NE2 GLN A 35 3.576 15.321 -11.122 1.00 0.00 N ATOM 0 H GLN A 35 6.336 16.009 -6.770 1.00 0.00 H new ATOM 0 HA GLN A 35 4.573 17.217 -8.823 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.112 15.088 -6.720 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.777 16.041 -7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.654 14.415 -9.086 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.118 13.825 -8.482 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.488 14.869 -11.192 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.148 15.737 -11.949 1.00 0.00 H new ATOM 479 N PRO A 36 3.372 18.757 -7.149 1.00 0.00 N ATOM 480 CA PRO A 36 2.946 19.878 -6.305 1.00 0.00 C ATOM 481 C PRO A 36 2.300 19.411 -5.005 1.00 0.00 C ATOM 482 O PRO A 36 1.685 18.345 -4.952 1.00 0.00 O ATOM 483 CB PRO A 36 1.922 20.610 -7.177 1.00 0.00 C ATOM 484 CG PRO A 36 1.400 19.567 -8.104 1.00 0.00 C ATOM 485 CD PRO A 36 2.548 18.630 -8.362 1.00 0.00 C ATOM 0 HA PRO A 36 3.787 20.500 -5.998 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.122 21.039 -6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.384 21.432 -7.725 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.556 19.038 -7.661 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.044 20.013 -9.033 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.205 17.606 -8.509 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.104 18.912 -9.256 1.00 0.00 H new ATOM 493 N LEU A 37 2.444 20.214 -3.956 1.00 0.00 N ATOM 494 CA LEU A 37 1.875 19.883 -2.655 1.00 0.00 C ATOM 495 C LEU A 37 0.406 19.492 -2.787 1.00 0.00 C ATOM 496 O LEU A 37 -0.382 20.200 -3.413 1.00 0.00 O ATOM 497 CB LEU A 37 2.014 21.070 -1.699 1.00 0.00 C ATOM 498 CG LEU A 37 2.150 20.724 -0.216 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.964 19.893 0.250 1.00 0.00 C ATOM 500 CD2 LEU A 37 3.455 19.984 0.042 1.00 0.00 C ATOM 0 H LEU A 37 2.950 21.099 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 37 2.424 19.032 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.886 21.651 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.144 21.715 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 37 2.163 21.653 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.079 19.657 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.043 20.458 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.919 18.968 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.535 19.746 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.471 19.062 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.295 20.614 -0.253 1.00 0.00 H new ATOM 512 N GLY A 38 0.045 18.359 -2.191 1.00 0.00 N ATOM 513 CA GLY A 38 -1.328 17.894 -2.252 1.00 0.00 C ATOM 514 C GLY A 38 -1.490 16.680 -3.144 1.00 0.00 C ATOM 515 O GLY A 38 -2.441 15.913 -2.994 1.00 0.00 O ATOM 0 H GLY A 38 0.679 17.756 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.671 17.650 -1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.965 18.699 -2.620 1.00 0.00 H new ATOM 519 N SER A 39 -0.560 16.505 -4.078 1.00 0.00 N ATOM 520 CA SER A 39 -0.607 15.378 -5.002 1.00 0.00 C ATOM 521 C SER A 39 -0.654 14.056 -4.244 1.00 0.00 C ATOM 522 O SER A 39 0.259 13.730 -3.484 1.00 0.00 O ATOM 523 CB SER A 39 0.607 15.404 -5.932 1.00 0.00 C ATOM 524 OG SER A 39 0.708 16.647 -6.606 1.00 0.00 O ATOM 0 H SER A 39 0.235 17.129 -4.215 1.00 0.00 H new ATOM 0 HA SER A 39 -1.515 15.466 -5.599 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.514 15.225 -5.355 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.528 14.597 -6.661 1.00 0.00 H new ATOM 0 HG SER A 39 1.137 17.304 -6.018 1.00 0.00 H new ATOM 530 N PHE A 40 -1.723 13.297 -4.456 1.00 0.00 N ATOM 531 CA PHE A 40 -1.891 12.009 -3.792 1.00 0.00 C ATOM 532 C PHE A 40 -1.705 10.860 -4.780 1.00 0.00 C ATOM 533 O PHE A 40 -1.661 11.070 -5.993 1.00 0.00 O ATOM 534 CB PHE A 40 -3.273 11.921 -3.145 1.00 0.00 C ATOM 535 CG PHE A 40 -4.390 11.751 -4.136 1.00 0.00 C ATOM 536 CD1 PHE A 40 -4.953 12.853 -4.761 1.00 0.00 C ATOM 537 CD2 PHE A 40 -4.876 10.490 -4.442 1.00 0.00 C ATOM 538 CE1 PHE A 40 -5.980 12.698 -5.672 1.00 0.00 C ATOM 539 CE2 PHE A 40 -5.903 10.330 -5.354 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.455 11.436 -5.970 1.00 0.00 C ATOM 0 H PHE A 40 -2.487 13.551 -5.083 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.129 11.926 -3.017 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.286 11.083 -2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.450 12.824 -2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.585 13.843 -4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.448 9.622 -3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.412 13.564 -6.151 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.273 9.342 -5.584 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.257 11.314 -6.683 1.00 0.00 H new ATOM 550 N LEU A 41 -1.596 9.646 -4.251 1.00 0.00 N ATOM 551 CA LEU A 41 -1.413 8.463 -5.085 1.00 0.00 C ATOM 552 C LEU A 41 -1.549 7.188 -4.258 1.00 0.00 C ATOM 553 O LEU A 41 -1.459 7.221 -3.030 1.00 0.00 O ATOM 554 CB LEU A 41 -0.044 8.500 -5.766 1.00 0.00 C ATOM 555 CG LEU A 41 1.132 7.985 -4.935 1.00 0.00 C ATOM 556 CD1 LEU A 41 1.100 8.585 -3.538 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.113 6.466 -4.865 1.00 0.00 C ATOM 0 H LEU A 41 -1.631 9.455 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.191 8.464 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.100 7.913 -6.683 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.166 9.529 -6.059 1.00 0.00 H new ATOM 0 HG LEU A 41 2.058 8.294 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.944 8.208 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.164 9.671 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.169 8.307 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.957 6.119 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.183 6.135 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.185 6.054 -5.872 1.00 0.00 H new ATOM 569 N ILE A 42 -1.765 6.067 -4.938 1.00 0.00 N ATOM 570 CA ILE A 42 -1.909 4.782 -4.267 1.00 0.00 C ATOM 571 C ILE A 42 -1.055 3.712 -4.939 1.00 0.00 C ATOM 572 O ILE A 42 -0.853 3.736 -6.153 1.00 0.00 O ATOM 573 CB ILE A 42 -3.377 4.316 -4.251 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.248 5.329 -3.505 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.489 2.941 -3.612 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.630 4.812 -3.176 1.00 0.00 C ATOM 0 H ILE A 42 -1.844 6.023 -5.954 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.570 4.923 -3.241 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.732 4.247 -5.279 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.747 5.616 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.341 6.231 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.532 2.626 -3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.896 2.226 -4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.119 2.985 -2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.191 5.583 -2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.150 4.552 -4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.547 3.927 -2.545 1.00 0.00 H new ATOM 588 N ARG A 43 -0.559 2.772 -4.141 1.00 0.00 N ATOM 589 CA ARG A 43 0.273 1.692 -4.658 1.00 0.00 C ATOM 590 C ARG A 43 -0.073 0.369 -3.983 1.00 0.00 C ATOM 591 O ARG A 43 0.117 0.207 -2.777 1.00 0.00 O ATOM 592 CB ARG A 43 1.754 2.014 -4.447 1.00 0.00 C ATOM 593 CG ARG A 43 2.146 2.144 -2.984 1.00 0.00 C ATOM 594 CD ARG A 43 3.314 3.100 -2.804 1.00 0.00 C ATOM 595 NE ARG A 43 3.650 3.295 -1.395 1.00 0.00 N ATOM 596 CZ ARG A 43 4.290 2.392 -0.660 1.00 0.00 C ATOM 597 NH1 ARG A 43 4.663 1.239 -1.197 1.00 0.00 N ATOM 598 NH2 ARG A 43 4.559 2.643 0.614 1.00 0.00 N ATOM 0 H ARG A 43 -0.719 2.736 -3.134 1.00 0.00 H new ATOM 0 HA ARG A 43 0.078 1.596 -5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.357 1.231 -4.908 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.992 2.945 -4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.292 2.499 -2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.412 1.164 -2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.184 2.713 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.068 4.062 -3.255 1.00 0.00 H new ATOM 0 HE ARG A 43 3.378 4.172 -0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.459 1.043 -2.177 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.154 0.548 -0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.275 3.530 1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.050 1.949 1.178 1.00 0.00 H new ATOM 612 N VAL A 44 -0.581 -0.576 -4.769 1.00 0.00 N ATOM 613 CA VAL A 44 -0.952 -1.885 -4.246 1.00 0.00 C ATOM 614 C VAL A 44 -0.017 -2.315 -3.122 1.00 0.00 C ATOM 615 O VAL A 44 1.195 -2.110 -3.197 1.00 0.00 O ATOM 616 CB VAL A 44 -0.934 -2.956 -5.353 1.00 0.00 C ATOM 617 CG1 VAL A 44 -1.056 -4.348 -4.752 1.00 0.00 C ATOM 618 CG2 VAL A 44 -2.045 -2.702 -6.359 1.00 0.00 C ATOM 0 H VAL A 44 -0.745 -0.459 -5.769 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.965 -1.794 -3.855 1.00 0.00 H new ATOM 0 HB VAL A 44 0.020 -2.895 -5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.041 -5.091 -5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.221 -4.526 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.993 -4.426 -4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.017 -3.468 -7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.009 -2.734 -5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.907 -1.721 -6.814 1.00 0.00 H new ATOM 628 N SER A 45 -0.587 -2.914 -2.081 1.00 0.00 N ATOM 629 CA SER A 45 0.196 -3.370 -0.939 1.00 0.00 C ATOM 630 C SER A 45 -0.044 -4.854 -0.674 1.00 0.00 C ATOM 631 O SER A 45 -1.187 -5.306 -0.599 1.00 0.00 O ATOM 632 CB SER A 45 -0.156 -2.555 0.306 1.00 0.00 C ATOM 633 OG SER A 45 0.822 -2.720 1.318 1.00 0.00 O ATOM 0 H SER A 45 -1.588 -3.095 -2.005 1.00 0.00 H new ATOM 0 HA SER A 45 1.251 -3.226 -1.172 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.237 -1.500 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.130 -2.865 0.684 1.00 0.00 H new ATOM 0 HG SER A 45 0.574 -2.187 2.102 1.00 0.00 H new ATOM 639 N HIS A 46 1.043 -5.606 -0.532 1.00 0.00 N ATOM 640 CA HIS A 46 0.951 -7.039 -0.274 1.00 0.00 C ATOM 641 C HIS A 46 1.034 -7.328 1.222 1.00 0.00 C ATOM 642 O HIS A 46 0.676 -8.416 1.674 1.00 0.00 O ATOM 643 CB HIS A 46 2.065 -7.783 -1.012 1.00 0.00 C ATOM 644 CG HIS A 46 2.111 -7.490 -2.479 1.00 0.00 C ATOM 645 ND1 HIS A 46 1.604 -8.346 -3.434 1.00 0.00 N ATOM 646 CD2 HIS A 46 2.607 -6.427 -3.155 1.00 0.00 C ATOM 647 CE1 HIS A 46 1.787 -7.823 -4.633 1.00 0.00 C ATOM 648 NE2 HIS A 46 2.393 -6.658 -4.492 1.00 0.00 N ATOM 0 H HIS A 46 1.996 -5.248 -0.591 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.014 -7.389 -0.640 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.024 -7.518 -0.567 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.932 -8.855 -0.868 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.083 -5.559 -2.723 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.491 -8.272 -5.570 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.659 -6.032 -5.252 1.00 0.00 H new ATOM 656 N SER A 47 1.508 -6.348 1.984 1.00 0.00 N ATOM 657 CA SER A 47 1.641 -6.499 3.428 1.00 0.00 C ATOM 658 C SER A 47 0.331 -6.974 4.048 1.00 0.00 C ATOM 659 O SER A 47 0.261 -8.058 4.628 1.00 0.00 O ATOM 660 CB SER A 47 2.069 -5.174 4.063 1.00 0.00 C ATOM 661 OG SER A 47 2.252 -5.315 5.461 1.00 0.00 O ATOM 0 H SER A 47 1.806 -5.441 1.626 1.00 0.00 H new ATOM 0 HA SER A 47 2.407 -7.250 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.996 -4.830 3.604 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.314 -4.412 3.867 1.00 0.00 H new ATOM 0 HG SER A 47 2.527 -4.456 5.843 1.00 0.00 H new ATOM 667 N HIS A 48 -0.707 -6.153 3.922 1.00 0.00 N ATOM 668 CA HIS A 48 -2.018 -6.488 4.470 1.00 0.00 C ATOM 669 C HIS A 48 -3.039 -6.685 3.353 1.00 0.00 C ATOM 670 O HIS A 48 -4.174 -6.216 3.445 1.00 0.00 O ATOM 671 CB HIS A 48 -2.492 -5.389 5.422 1.00 0.00 C ATOM 672 CG HIS A 48 -2.342 -4.007 4.865 1.00 0.00 C ATOM 673 ND1 HIS A 48 -1.197 -3.255 5.015 1.00 0.00 N ATOM 674 CD2 HIS A 48 -3.202 -3.243 4.151 1.00 0.00 C ATOM 675 CE1 HIS A 48 -1.359 -2.086 4.421 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.568 -2.054 3.888 1.00 0.00 N ATOM 0 H HIS A 48 -0.666 -5.252 3.446 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.926 -7.423 5.023 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.540 -5.561 5.668 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.930 -5.459 6.353 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.201 -3.518 3.845 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -0.628 -1.292 4.378 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -2.965 -1.273 3.366 1.00 0.00 H new ATOM 684 N VAL A 49 -2.627 -7.382 2.298 1.00 0.00 N ATOM 685 CA VAL A 49 -3.506 -7.640 1.164 1.00 0.00 C ATOM 686 C VAL A 49 -4.447 -6.467 0.917 1.00 0.00 C ATOM 687 O VAL A 49 -5.582 -6.648 0.479 1.00 0.00 O ATOM 688 CB VAL A 49 -4.341 -8.916 1.381 1.00 0.00 C ATOM 689 CG1 VAL A 49 -5.349 -8.711 2.502 1.00 0.00 C ATOM 690 CG2 VAL A 49 -5.041 -9.320 0.092 1.00 0.00 C ATOM 0 H VAL A 49 -1.691 -7.777 2.206 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.865 -7.776 0.293 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.669 -9.723 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.930 -9.623 2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.822 -8.472 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.018 -7.891 2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.626 -10.223 0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.702 -8.515 -0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.297 -9.511 -0.681 1.00 0.00 H new ATOM 700 N GLY A 50 -3.966 -5.260 1.202 1.00 0.00 N ATOM 701 CA GLY A 50 -4.777 -4.073 1.005 1.00 0.00 C ATOM 702 C GLY A 50 -4.118 -3.067 0.083 1.00 0.00 C ATOM 703 O GLY A 50 -3.712 -3.407 -1.029 1.00 0.00 O ATOM 0 H GLY A 50 -3.029 -5.084 1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.743 -4.362 0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.970 -3.605 1.970 1.00 0.00 H new ATOM 707 N TYR A 51 -4.011 -1.825 0.543 1.00 0.00 N ATOM 708 CA TYR A 51 -3.400 -0.766 -0.251 1.00 0.00 C ATOM 709 C TYR A 51 -2.793 0.307 0.648 1.00 0.00 C ATOM 710 O TYR A 51 -3.115 0.397 1.834 1.00 0.00 O ATOM 711 CB TYR A 51 -4.436 -0.137 -1.186 1.00 0.00 C ATOM 712 CG TYR A 51 -5.048 -1.120 -2.158 1.00 0.00 C ATOM 713 CD1 TYR A 51 -5.942 -2.092 -1.724 1.00 0.00 C ATOM 714 CD2 TYR A 51 -4.733 -1.077 -3.510 1.00 0.00 C ATOM 715 CE1 TYR A 51 -6.504 -2.993 -2.608 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.291 -1.973 -4.402 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.176 -2.928 -3.947 1.00 0.00 C ATOM 718 OH TYR A 51 -6.732 -3.823 -4.832 1.00 0.00 O ATOM 0 H TYR A 51 -4.340 -1.527 1.462 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.603 -1.209 -0.848 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.229 0.311 -0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.965 0.670 -1.747 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.202 -2.144 -0.677 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.040 -0.331 -3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.195 -3.743 -2.254 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.035 -1.926 -5.450 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.398 -3.640 -5.735 1.00 0.00 H new ATOM 728 N THR A 52 -1.913 1.122 0.075 1.00 0.00 N ATOM 729 CA THR A 52 -1.259 2.189 0.822 1.00 0.00 C ATOM 730 C THR A 52 -1.474 3.540 0.151 1.00 0.00 C ATOM 731 O THR A 52 -0.937 3.802 -0.927 1.00 0.00 O ATOM 732 CB THR A 52 0.253 1.932 0.962 1.00 0.00 C ATOM 733 OG1 THR A 52 0.480 0.648 1.555 1.00 0.00 O ATOM 734 CG2 THR A 52 0.910 3.011 1.811 1.00 0.00 C ATOM 0 H THR A 52 -1.637 1.063 -0.905 1.00 0.00 H new ATOM 0 HA THR A 52 -1.710 2.203 1.814 1.00 0.00 H new ATOM 0 HB THR A 52 0.696 1.955 -0.034 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.444 0.492 1.639 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.978 2.808 1.895 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.762 3.984 1.342 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.462 3.015 2.805 1.00 0.00 H new ATOM 742 N LEU A 53 -2.258 4.398 0.795 1.00 0.00 N ATOM 743 CA LEU A 53 -2.543 5.724 0.261 1.00 0.00 C ATOM 744 C LEU A 53 -1.523 6.743 0.760 1.00 0.00 C ATOM 745 O LEU A 53 -1.269 6.844 1.960 1.00 0.00 O ATOM 746 CB LEU A 53 -3.954 6.163 0.656 1.00 0.00 C ATOM 747 CG LEU A 53 -4.257 7.656 0.516 1.00 0.00 C ATOM 748 CD1 LEU A 53 -4.742 7.971 -0.890 1.00 0.00 C ATOM 749 CD2 LEU A 53 -5.287 8.089 1.548 1.00 0.00 C ATOM 0 H LEU A 53 -2.708 4.198 1.688 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.476 5.672 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.669 5.609 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.126 5.873 1.693 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.338 8.214 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.953 9.037 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.971 7.697 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.650 7.405 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.491 9.154 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.208 7.525 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.901 7.899 2.549 1.00 0.00 H new ATOM 761 N SER A 54 -0.943 7.497 -0.169 1.00 0.00 N ATOM 762 CA SER A 54 0.051 8.506 0.177 1.00 0.00 C ATOM 763 C SER A 54 -0.167 9.781 -0.633 1.00 0.00 C ATOM 764 O SER A 54 -0.840 9.768 -1.664 1.00 0.00 O ATOM 765 CB SER A 54 1.462 7.968 -0.068 1.00 0.00 C ATOM 766 OG SER A 54 1.739 6.862 0.775 1.00 0.00 O ATOM 0 H SER A 54 -1.144 7.428 -1.167 1.00 0.00 H new ATOM 0 HA SER A 54 -0.060 8.743 1.235 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.565 7.669 -1.111 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.192 8.758 0.111 1.00 0.00 H new ATOM 0 HG SER A 54 2.706 6.705 0.801 1.00 0.00 H new ATOM 772 N TYR A 55 0.407 10.880 -0.157 1.00 0.00 N ATOM 773 CA TYR A 55 0.276 12.165 -0.835 1.00 0.00 C ATOM 774 C TYR A 55 1.227 13.197 -0.236 1.00 0.00 C ATOM 775 O TYR A 55 1.494 13.189 0.967 1.00 0.00 O ATOM 776 CB TYR A 55 -1.166 12.669 -0.739 1.00 0.00 C ATOM 777 CG TYR A 55 -1.612 12.969 0.673 1.00 0.00 C ATOM 778 CD1 TYR A 55 -1.153 14.097 1.343 1.00 0.00 C ATOM 779 CD2 TYR A 55 -2.491 12.124 1.339 1.00 0.00 C ATOM 780 CE1 TYR A 55 -1.557 14.374 2.635 1.00 0.00 C ATOM 781 CE2 TYR A 55 -2.901 12.394 2.631 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.432 13.520 3.274 1.00 0.00 C ATOM 783 OH TYR A 55 -2.838 13.793 4.560 1.00 0.00 O ATOM 0 H TYR A 55 0.967 10.907 0.695 1.00 0.00 H new ATOM 0 HA TYR A 55 0.537 12.023 -1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.267 13.571 -1.342 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.832 11.922 -1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.469 14.768 0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.860 11.241 0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.190 15.254 3.142 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.585 11.727 3.134 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.661 13.016 5.131 1.00 0.00 H new ATOM 793 N LYS A 56 1.736 14.085 -1.084 1.00 0.00 N ATOM 794 CA LYS A 56 2.656 15.125 -0.640 1.00 0.00 C ATOM 795 C LYS A 56 1.978 16.066 0.350 1.00 0.00 C ATOM 796 O LYS A 56 0.906 16.605 0.075 1.00 0.00 O ATOM 797 CB LYS A 56 3.175 15.919 -1.841 1.00 0.00 C ATOM 798 CG LYS A 56 4.528 16.569 -1.602 1.00 0.00 C ATOM 799 CD LYS A 56 5.667 15.644 -1.998 1.00 0.00 C ATOM 800 CE LYS A 56 7.004 16.155 -1.484 1.00 0.00 C ATOM 801 NZ LYS A 56 7.450 17.374 -2.212 1.00 0.00 N ATOM 0 H LYS A 56 1.527 14.105 -2.082 1.00 0.00 H new ATOM 0 HA LYS A 56 3.495 14.644 -0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.248 15.254 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.450 16.692 -2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.594 17.495 -2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.624 16.836 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.481 14.646 -1.602 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.704 15.554 -3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.923 16.377 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.756 15.373 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.365 17.690 -1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.552 17.156 -3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.745 18.129 -2.090 1.00 0.00 H new ATOM 815 N ALA A 57 2.611 16.260 1.503 1.00 0.00 N ATOM 816 CA ALA A 57 2.070 17.139 2.533 1.00 0.00 C ATOM 817 C ALA A 57 3.047 18.261 2.865 1.00 0.00 C ATOM 818 O ALA A 57 4.262 18.064 2.845 1.00 0.00 O ATOM 819 CB ALA A 57 1.733 16.341 3.783 1.00 0.00 C ATOM 0 H ALA A 57 3.499 15.820 1.747 1.00 0.00 H new ATOM 0 HA ALA A 57 1.156 17.592 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.330 17.010 4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.992 15.580 3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.635 15.861 4.163 1.00 0.00 H new ATOM 825 N GLN A 58 2.509 19.437 3.171 1.00 0.00 N ATOM 826 CA GLN A 58 3.336 20.591 3.506 1.00 0.00 C ATOM 827 C GLN A 58 4.585 20.162 4.269 1.00 0.00 C ATOM 828 O GLN A 58 5.685 20.645 4.000 1.00 0.00 O ATOM 829 CB GLN A 58 2.534 21.593 4.339 1.00 0.00 C ATOM 830 CG GLN A 58 1.500 22.363 3.534 1.00 0.00 C ATOM 831 CD GLN A 58 0.154 21.666 3.495 1.00 0.00 C ATOM 832 OE1 GLN A 58 -0.077 20.698 4.220 1.00 0.00 O ATOM 833 NE2 GLN A 58 -0.743 22.154 2.646 1.00 0.00 N ATOM 0 H GLN A 58 1.505 19.616 3.194 1.00 0.00 H new ATOM 0 HA GLN A 58 3.647 21.067 2.576 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.031 21.061 5.147 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.222 22.300 4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.378 23.357 3.963 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.865 22.498 2.516 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.509 22.958 2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.666 21.725 2.576 1.00 0.00 H new ATOM 842 N SER A 59 4.407 19.253 5.223 1.00 0.00 N ATOM 843 CA SER A 59 5.520 18.762 6.028 1.00 0.00 C ATOM 844 C SER A 59 6.390 17.802 5.223 1.00 0.00 C ATOM 845 O SER A 59 7.509 18.137 4.835 1.00 0.00 O ATOM 846 CB SER A 59 4.998 18.064 7.286 1.00 0.00 C ATOM 847 OG SER A 59 6.066 17.588 8.084 1.00 0.00 O ATOM 0 H SER A 59 3.503 18.842 5.457 1.00 0.00 H new ATOM 0 HA SER A 59 6.129 19.617 6.322 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.389 18.758 7.865 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.352 17.233 7.003 1.00 0.00 H new ATOM 0 HG SER A 59 5.707 17.148 8.882 1.00 0.00 H new ATOM 853 N SER A 60 5.868 16.604 4.976 1.00 0.00 N ATOM 854 CA SER A 60 6.597 15.592 4.222 1.00 0.00 C ATOM 855 C SER A 60 5.662 14.476 3.765 1.00 0.00 C ATOM 856 O SER A 60 4.591 14.276 4.338 1.00 0.00 O ATOM 857 CB SER A 60 7.729 15.011 5.071 1.00 0.00 C ATOM 858 OG SER A 60 7.220 14.179 6.098 1.00 0.00 O ATOM 0 H SER A 60 4.942 16.311 5.288 1.00 0.00 H new ATOM 0 HA SER A 60 7.023 16.068 3.339 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.406 14.439 4.437 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.311 15.821 5.510 1.00 0.00 H new ATOM 0 HG SER A 60 7.963 13.819 6.625 1.00 0.00 H new ATOM 864 N CYS A 61 6.076 13.754 2.730 1.00 0.00 N ATOM 865 CA CYS A 61 5.277 12.657 2.195 1.00 0.00 C ATOM 866 C CYS A 61 4.705 11.800 3.321 1.00 0.00 C ATOM 867 O CYS A 61 5.396 11.497 4.294 1.00 0.00 O ATOM 868 CB CYS A 61 6.121 11.793 1.257 1.00 0.00 C ATOM 869 SG CYS A 61 5.323 10.249 0.758 1.00 0.00 S ATOM 0 H CYS A 61 6.960 13.908 2.245 1.00 0.00 H new ATOM 0 HA CYS A 61 4.447 13.086 1.633 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.360 12.371 0.364 1.00 0.00 H new ATOM 0 HB3 CYS A 61 7.066 11.559 1.748 1.00 0.00 H new ATOM 0 HG CYS A 61 5.677 9.296 1.568 1.00 0.00 H new ATOM 875 N CYS A 62 3.443 11.415 3.181 1.00 0.00 N ATOM 876 CA CYS A 62 2.777 10.595 4.188 1.00 0.00 C ATOM 877 C CYS A 62 2.493 9.197 3.648 1.00 0.00 C ATOM 878 O CYS A 62 2.546 8.997 2.436 1.00 0.00 O ATOM 879 CB CYS A 62 1.474 11.257 4.635 1.00 0.00 C ATOM 880 SG CYS A 62 1.704 12.822 5.511 1.00 0.00 S ATOM 0 H CYS A 62 2.859 11.657 2.380 1.00 0.00 H new ATOM 0 HA CYS A 62 3.442 10.505 5.047 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.849 11.432 3.759 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.932 10.567 5.282 1.00 0.00 H new ATOM 0 HG CYS A 62 2.791 13.398 5.092 1.00 0.00 H new ATOM 886 N HIS A 63 2.201 8.270 4.549 1.00 0.00 N ATOM 887 CA HIS A 63 1.914 6.903 4.151 1.00 0.00 C ATOM 888 C HIS A 63 0.816 6.327 5.047 1.00 0.00 C ATOM 889 O HIS A 63 1.019 6.041 6.228 1.00 0.00 O ATOM 890 CB HIS A 63 3.189 6.056 4.156 1.00 0.00 C ATOM 891 CG HIS A 63 4.226 6.501 3.153 1.00 0.00 C ATOM 892 ND1 HIS A 63 4.176 6.150 1.816 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.339 7.275 3.307 1.00 0.00 C ATOM 894 CE1 HIS A 63 5.218 6.691 1.202 1.00 0.00 C ATOM 895 NE2 HIS A 63 5.938 7.388 2.128 1.00 0.00 N ATOM 0 H HIS A 63 2.157 8.440 5.554 1.00 0.00 H new ATOM 0 HA HIS A 63 1.543 6.890 3.126 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.628 6.084 5.153 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.924 5.018 3.953 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.676 7.720 4.232 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.456 6.597 0.153 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.795 7.910 1.944 1.00 0.00 H new ATOM 903 N PHE A 64 -0.363 6.163 4.456 1.00 0.00 N ATOM 904 CA PHE A 64 -1.511 5.625 5.177 1.00 0.00 C ATOM 905 C PHE A 64 -1.866 4.230 4.671 1.00 0.00 C ATOM 906 O PHE A 64 -1.899 3.985 3.465 1.00 0.00 O ATOM 907 CB PHE A 64 -2.715 6.556 5.028 1.00 0.00 C ATOM 908 CG PHE A 64 -2.404 7.993 5.336 1.00 0.00 C ATOM 909 CD1 PHE A 64 -2.526 8.480 6.628 1.00 0.00 C ATOM 910 CD2 PHE A 64 -1.991 8.856 4.335 1.00 0.00 C ATOM 911 CE1 PHE A 64 -2.241 9.801 6.915 1.00 0.00 C ATOM 912 CE2 PHE A 64 -1.704 10.179 4.617 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.828 10.651 5.908 1.00 0.00 C ATOM 0 H PHE A 64 -0.549 6.395 3.480 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.245 5.553 6.232 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.095 6.485 4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.512 6.215 5.689 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.848 7.819 7.419 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.892 8.492 3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.341 10.168 7.926 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.383 10.842 3.828 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.602 11.684 6.130 1.00 0.00 H new ATOM 923 N MET A 65 -2.131 3.319 5.601 1.00 0.00 N ATOM 924 CA MET A 65 -2.485 1.949 5.249 1.00 0.00 C ATOM 925 C MET A 65 -3.997 1.794 5.116 1.00 0.00 C ATOM 926 O MET A 65 -4.760 2.370 5.891 1.00 0.00 O ATOM 927 CB MET A 65 -1.952 0.975 6.302 1.00 0.00 C ATOM 928 CG MET A 65 -2.714 1.024 7.617 1.00 0.00 C ATOM 929 SD MET A 65 -2.246 -0.304 8.742 1.00 0.00 S ATOM 930 CE MET A 65 -3.100 -1.693 7.999 1.00 0.00 C ATOM 0 H MET A 65 -2.107 3.504 6.604 1.00 0.00 H new ATOM 0 HA MET A 65 -2.028 1.719 4.287 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.997 -0.038 5.903 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.902 1.197 6.492 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.535 1.984 8.101 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.783 0.964 7.415 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.727 -2.178 8.748 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.723 -1.340 7.178 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.370 -2.408 7.619 1.00 0.00 H new ATOM 940 N VAL A 66 -4.424 1.013 4.129 1.00 0.00 N ATOM 941 CA VAL A 66 -5.845 0.782 3.896 1.00 0.00 C ATOM 942 C VAL A 66 -6.171 -0.706 3.920 1.00 0.00 C ATOM 943 O VAL A 66 -5.819 -1.445 3.000 1.00 0.00 O ATOM 944 CB VAL A 66 -6.294 1.374 2.546 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.812 1.367 2.440 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.746 2.781 2.373 1.00 0.00 C ATOM 0 H VAL A 66 -3.806 0.529 3.477 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.384 1.281 4.701 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.894 0.753 1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.112 1.788 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.177 0.343 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.236 1.965 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.073 3.183 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.115 3.417 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.657 2.753 2.402 1.00 0.00 H new ATOM 956 N LYS A 67 -6.845 -1.141 4.979 1.00 0.00 N ATOM 957 CA LYS A 67 -7.223 -2.542 5.123 1.00 0.00 C ATOM 958 C LYS A 67 -8.397 -2.886 4.214 1.00 0.00 C ATOM 959 O LYS A 67 -9.026 -2.001 3.632 1.00 0.00 O ATOM 960 CB LYS A 67 -7.584 -2.846 6.580 1.00 0.00 C ATOM 961 CG LYS A 67 -6.615 -2.249 7.584 1.00 0.00 C ATOM 962 CD LYS A 67 -7.154 -2.342 9.002 1.00 0.00 C ATOM 963 CE LYS A 67 -8.460 -1.576 9.153 1.00 0.00 C ATOM 964 NZ LYS A 67 -9.642 -2.434 8.861 1.00 0.00 N ATOM 0 H LYS A 67 -7.141 -0.543 5.751 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.370 -3.155 4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.585 -2.466 6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.618 -3.927 6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.659 -2.769 7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.427 -1.205 7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.312 -3.388 9.265 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.416 -1.946 9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.537 -1.185 10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.458 -0.719 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.186 -2.020 8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.322 -3.387 8.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.244 -2.495 9.707 1.00 0.00 H new ATOM 978 N LEU A 68 -8.691 -4.177 4.098 1.00 0.00 N ATOM 979 CA LEU A 68 -9.793 -4.638 3.260 1.00 0.00 C ATOM 980 C LEU A 68 -10.883 -5.291 4.105 1.00 0.00 C ATOM 981 O LEU A 68 -10.910 -6.513 4.265 1.00 0.00 O ATOM 982 CB LEU A 68 -9.282 -5.628 2.211 1.00 0.00 C ATOM 983 CG LEU A 68 -10.149 -5.788 0.962 1.00 0.00 C ATOM 984 CD1 LEU A 68 -9.590 -6.877 0.060 1.00 0.00 C ATOM 985 CD2 LEU A 68 -11.589 -6.098 1.347 1.00 0.00 C ATOM 0 H LEU A 68 -8.182 -4.922 4.573 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.221 -3.772 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.285 -5.315 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.176 -6.605 2.683 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.136 -4.847 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.220 -6.977 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.577 -6.613 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.571 -7.823 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.191 -6.208 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.621 -7.024 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.987 -5.283 1.952 1.00 0.00 H new ATOM 997 N LEU A 69 -11.780 -4.473 4.641 1.00 0.00 N ATOM 998 CA LEU A 69 -12.873 -4.971 5.467 1.00 0.00 C ATOM 999 C LEU A 69 -13.441 -6.267 4.896 1.00 0.00 C ATOM 1000 O LEU A 69 -13.507 -6.444 3.679 1.00 0.00 O ATOM 1001 CB LEU A 69 -13.979 -3.919 5.573 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.515 -2.467 5.690 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -14.603 -1.608 6.315 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -12.232 -2.381 6.503 1.00 0.00 C ATOM 0 H LEU A 69 -11.772 -3.460 4.518 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.479 -5.176 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.620 -4.005 4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.594 -4.154 6.442 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.312 -2.088 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.255 -0.578 6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -15.497 -1.644 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.838 -1.985 7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.917 -1.340 6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.408 -2.778 7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.451 -2.963 6.014 1.00 0.00 H new ATOM 1016 N ASP A 70 -13.851 -7.168 5.782 1.00 0.00 N ATOM 1017 CA ASP A 70 -14.417 -8.446 5.367 1.00 0.00 C ATOM 1018 C ASP A 70 -15.720 -8.240 4.599 1.00 0.00 C ATOM 1019 O ASP A 70 -16.201 -9.147 3.919 1.00 0.00 O ATOM 1020 CB ASP A 70 -14.663 -9.339 6.583 1.00 0.00 C ATOM 1021 CG ASP A 70 -15.173 -10.714 6.199 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -16.403 -10.873 6.058 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -14.341 -11.631 6.038 1.00 0.00 O ATOM 0 H ASP A 70 -13.802 -7.037 6.792 1.00 0.00 H new ATOM 0 HA ASP A 70 -13.700 -8.935 4.707 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.736 -9.443 7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.385 -8.858 7.243 1.00 0.00 H new ATOM 1028 N ASP A 71 -16.285 -7.043 4.714 1.00 0.00 N ATOM 1029 CA ASP A 71 -17.532 -6.718 4.031 1.00 0.00 C ATOM 1030 C ASP A 71 -17.263 -6.231 2.610 1.00 0.00 C ATOM 1031 O ASP A 71 -18.071 -5.510 2.027 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.302 -5.652 4.812 1.00 0.00 C ATOM 1033 CG ASP A 71 -18.327 -5.931 6.301 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -19.219 -6.682 6.750 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -17.456 -5.398 7.020 1.00 0.00 O ATOM 0 H ASP A 71 -15.900 -6.282 5.273 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.135 -7.624 3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.847 -4.677 4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.324 -5.599 4.438 1.00 0.00 H new ATOM 1040 N GLY A 72 -16.119 -6.629 2.060 1.00 0.00 N ATOM 1041 CA GLY A 72 -15.763 -6.222 0.714 1.00 0.00 C ATOM 1042 C GLY A 72 -15.575 -4.723 0.591 1.00 0.00 C ATOM 1043 O GLY A 72 -15.698 -4.161 -0.498 1.00 0.00 O ATOM 0 H GLY A 72 -15.433 -7.226 2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.843 -6.726 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.541 -6.545 0.022 1.00 0.00 H new ATOM 1047 N THR A 73 -15.277 -4.072 1.711 1.00 0.00 N ATOM 1048 CA THR A 73 -15.075 -2.629 1.725 1.00 0.00 C ATOM 1049 C THR A 73 -13.688 -2.274 2.252 1.00 0.00 C ATOM 1050 O THR A 73 -12.983 -3.123 2.797 1.00 0.00 O ATOM 1051 CB THR A 73 -16.135 -1.922 2.590 1.00 0.00 C ATOM 1052 OG1 THR A 73 -16.063 -2.396 3.939 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.532 -2.161 2.036 1.00 0.00 C ATOM 0 H THR A 73 -15.170 -4.522 2.620 1.00 0.00 H new ATOM 0 HA THR A 73 -15.169 -2.286 0.695 1.00 0.00 H new ATOM 0 HB THR A 73 -15.932 -0.851 2.571 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.917 -2.230 4.390 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.264 -1.652 2.663 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.592 -1.772 1.020 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.742 -3.231 2.028 1.00 0.00 H new ATOM 1061 N PHE A 74 -13.302 -1.014 2.084 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.999 -0.545 2.541 1.00 0.00 C ATOM 1063 C PHE A 74 -12.149 0.645 3.484 1.00 0.00 C ATOM 1064 O PHE A 74 -12.941 1.552 3.234 1.00 0.00 O ATOM 1065 CB PHE A 74 -11.124 -0.158 1.347 1.00 0.00 C ATOM 1066 CG PHE A 74 -11.136 -1.173 0.241 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -12.229 -1.287 -0.603 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -10.053 -2.015 0.044 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -12.243 -2.220 -1.622 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -10.061 -2.951 -0.974 1.00 0.00 C ATOM 1071 CZ PHE A 74 -11.157 -3.054 -1.807 1.00 0.00 C ATOM 0 H PHE A 74 -13.873 -0.299 1.634 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.519 -1.358 3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.463 0.800 0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.099 -0.017 1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -13.081 -0.638 -0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.193 -1.939 0.693 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.101 -2.297 -2.273 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.210 -3.601 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 74 -11.166 -3.785 -2.602 1.00 0.00 H new ATOM 1081 N MET A 75 -11.380 0.632 4.569 1.00 0.00 N ATOM 1082 CA MET A 75 -11.427 1.711 5.550 1.00 0.00 C ATOM 1083 C MET A 75 -10.073 1.887 6.229 1.00 0.00 C ATOM 1084 O MET A 75 -9.436 0.911 6.627 1.00 0.00 O ATOM 1085 CB MET A 75 -12.503 1.428 6.599 1.00 0.00 C ATOM 1086 CG MET A 75 -12.200 2.035 7.960 1.00 0.00 C ATOM 1087 SD MET A 75 -13.690 2.386 8.911 1.00 0.00 S ATOM 1088 CE MET A 75 -13.143 3.779 9.896 1.00 0.00 C ATOM 0 H MET A 75 -10.718 -0.112 4.791 1.00 0.00 H new ATOM 0 HA MET A 75 -11.674 2.634 5.026 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.457 1.815 6.242 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.617 0.350 6.709 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.566 1.352 8.525 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.635 2.957 7.825 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.957 4.112 10.539 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.294 3.479 10.511 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.844 4.595 9.238 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.637 3.136 6.356 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.359 3.438 6.988 1.00 0.00 C ATOM 1100 C ILE A 76 -8.459 3.342 8.506 1.00 0.00 C ATOM 1101 O ILE A 76 -9.374 3.880 9.128 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.862 4.845 6.606 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.266 4.834 5.196 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.837 5.337 7.616 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -6.696 6.169 4.770 1.00 0.00 C ATOM 0 H ILE A 76 -10.150 3.955 6.030 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.645 2.698 6.626 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.711 5.529 6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.480 4.081 5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.037 4.535 4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.495 6.332 7.332 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.292 5.378 8.606 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.988 4.654 7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.291 6.087 3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.484 6.922 4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.902 6.461 5.457 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.495 2.640 9.119 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.450 2.457 10.573 1.00 0.00 C ATOM 1119 C PRO A 77 -7.113 3.749 11.309 1.00 0.00 C ATOM 1120 O PRO A 77 -5.958 3.995 11.655 1.00 0.00 O ATOM 1121 CB PRO A 77 -6.336 1.425 10.767 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.462 1.583 9.571 1.00 0.00 C ATOM 1123 CD PRO A 77 -6.372 1.970 8.439 1.00 0.00 C ATOM 0 HA PRO A 77 -8.414 2.144 10.974 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.783 1.608 11.688 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.739 0.414 10.832 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.704 2.347 9.740 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.935 0.655 9.348 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.875 2.635 7.733 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.705 1.099 7.875 1.00 0.00 H new ATOM 1131 N GLY A 78 -8.130 4.573 11.545 1.00 0.00 N ATOM 1132 CA GLY A 78 -7.920 5.830 12.240 1.00 0.00 C ATOM 1133 C GLY A 78 -9.052 6.812 12.015 1.00 0.00 C ATOM 1134 O GLY A 78 -9.203 7.777 12.764 1.00 0.00 O ATOM 0 H GLY A 78 -9.095 4.393 11.267 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.816 5.638 13.308 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.984 6.276 11.904 1.00 0.00 H new ATOM 1138 N GLU A 79 -9.850 6.568 10.979 1.00 0.00 N ATOM 1139 CA GLU A 79 -10.973 7.441 10.658 1.00 0.00 C ATOM 1140 C GLU A 79 -12.281 6.860 11.183 1.00 0.00 C ATOM 1141 O GLU A 79 -12.292 5.826 11.852 1.00 0.00 O ATOM 1142 CB GLU A 79 -11.066 7.651 9.145 1.00 0.00 C ATOM 1143 CG GLU A 79 -10.000 8.582 8.593 1.00 0.00 C ATOM 1144 CD GLU A 79 -10.385 10.044 8.712 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -11.598 10.340 8.713 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -9.472 10.892 8.805 1.00 0.00 O ATOM 0 H GLU A 79 -9.739 5.774 10.349 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.803 8.403 11.142 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.986 6.685 8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.049 8.054 8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.064 8.412 9.125 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.820 8.342 7.545 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.386 7.531 10.876 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.702 7.083 11.316 1.00 0.00 C ATOM 1155 C LYS A 80 -15.622 6.844 10.123 1.00 0.00 C ATOM 1156 O LYS A 80 -16.845 6.829 10.262 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.327 8.116 12.257 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.526 8.346 13.526 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.444 9.394 13.320 1.00 0.00 C ATOM 1160 CE LYS A 80 -14.027 10.798 13.294 1.00 0.00 C ATOM 1161 NZ LYS A 80 -14.344 11.294 14.661 1.00 0.00 N ATOM 0 H LYS A 80 -13.396 8.388 10.323 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.578 6.142 11.851 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.431 9.062 11.726 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.332 7.789 12.526 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.194 8.664 14.327 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.070 7.409 13.845 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.707 9.320 14.119 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.920 9.199 12.384 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.319 11.476 12.817 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.932 10.804 12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.691 12.273 14.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.076 10.691 15.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.486 11.265 15.248 1.00 0.00 H new ATOM 1175 N VAL A 81 -15.026 6.657 8.950 1.00 0.00 N ATOM 1176 CA VAL A 81 -15.792 6.416 7.733 1.00 0.00 C ATOM 1177 C VAL A 81 -15.108 5.378 6.850 1.00 0.00 C ATOM 1178 O VAL A 81 -13.900 5.164 6.947 1.00 0.00 O ATOM 1179 CB VAL A 81 -15.986 7.712 6.926 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -17.206 8.473 7.422 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -14.739 8.579 7.003 1.00 0.00 C ATOM 0 H VAL A 81 -14.015 6.668 8.817 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.767 6.040 8.042 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.153 7.447 5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.327 9.386 6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.094 7.851 7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.073 8.728 8.473 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -14.894 9.491 6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.538 8.836 8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -13.890 8.032 6.594 1.00 0.00 H new ATOM 1191 N ALA A 82 -15.890 4.734 5.989 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.360 3.720 5.086 1.00 0.00 C ATOM 1193 C ALA A 82 -15.791 3.985 3.648 1.00 0.00 C ATOM 1194 O ALA A 82 -16.456 4.981 3.362 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.808 2.335 5.527 1.00 0.00 C ATOM 0 H ALA A 82 -16.893 4.897 5.898 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.272 3.768 5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.405 1.587 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.444 2.139 6.535 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.897 2.285 5.518 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.407 3.089 2.745 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.755 3.227 1.335 1.00 0.00 C ATOM 1203 C HIS A 83 -15.762 1.868 0.641 1.00 0.00 C ATOM 1204 O HIS A 83 -15.028 0.957 1.029 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.771 4.165 0.635 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.320 5.308 1.491 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -15.056 6.463 1.652 1.00 0.00 N ATOM 1208 CD2 HIS A 83 -13.203 5.468 2.238 1.00 0.00 C ATOM 1209 CE1 HIS A 83 -14.410 7.285 2.459 1.00 0.00 C ATOM 1210 NE2 HIS A 83 -13.282 6.705 2.829 1.00 0.00 N ATOM 0 H HIS A 83 -14.855 2.260 2.964 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.757 3.652 1.273 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.899 3.593 0.319 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.238 4.560 -0.267 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.399 4.755 2.349 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.747 8.265 2.765 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.584 7.110 3.452 1.00 0.00 H new ATOM 1218 N THR A 84 -16.595 1.736 -0.386 1.00 0.00 N ATOM 1219 CA THR A 84 -16.698 0.489 -1.132 1.00 0.00 C ATOM 1220 C THR A 84 -15.354 0.093 -1.730 1.00 0.00 C ATOM 1221 O THR A 84 -14.917 -1.050 -1.598 1.00 0.00 O ATOM 1222 CB THR A 84 -17.740 0.595 -2.263 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.500 1.774 -3.040 1.00 0.00 O ATOM 1224 CG2 THR A 84 -19.151 0.633 -1.697 1.00 0.00 C ATOM 0 H THR A 84 -17.209 2.479 -0.720 1.00 0.00 H new ATOM 0 HA THR A 84 -17.017 -0.277 -0.425 1.00 0.00 H new ATOM 0 HB THR A 84 -17.645 -0.285 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 84 -18.165 1.834 -3.758 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.869 0.708 -2.514 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.340 -0.279 -1.130 1.00 0.00 H new ATOM 0 HG23 THR A 84 -19.257 1.497 -1.041 1.00 0.00 H new ATOM 1232 N SER A 85 -14.700 1.046 -2.389 1.00 0.00 N ATOM 1233 CA SER A 85 -13.406 0.794 -3.011 1.00 0.00 C ATOM 1234 C SER A 85 -12.548 2.055 -3.007 1.00 0.00 C ATOM 1235 O SER A 85 -13.053 3.164 -2.827 1.00 0.00 O ATOM 1236 CB SER A 85 -13.593 0.295 -4.445 1.00 0.00 C ATOM 1237 OG SER A 85 -14.087 -1.034 -4.461 1.00 0.00 O ATOM 0 H SER A 85 -15.046 1.999 -2.505 1.00 0.00 H new ATOM 0 HA SER A 85 -12.895 0.025 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.285 0.950 -4.974 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.642 0.340 -4.976 1.00 0.00 H new ATOM 0 HG SER A 85 -14.295 -1.317 -3.546 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.247 1.879 -3.208 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.316 3.002 -3.229 1.00 0.00 C ATOM 1245 C LEU A 86 -10.930 4.205 -3.937 1.00 0.00 C ATOM 1246 O LEU A 86 -10.837 5.335 -3.457 1.00 0.00 O ATOM 1247 CB LEU A 86 -9.014 2.598 -3.921 1.00 0.00 C ATOM 1248 CG LEU A 86 -7.930 2.004 -3.022 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -8.525 0.961 -2.089 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -6.813 1.400 -3.859 1.00 0.00 C ATOM 0 H LEU A 86 -10.812 0.969 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.100 3.282 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.250 1.872 -4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.603 3.476 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.507 2.806 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.739 0.548 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.288 1.425 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.975 0.161 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.051 0.982 -3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.219 0.611 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.368 2.174 -4.485 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.561 3.954 -5.079 1.00 0.00 N ATOM 1263 CA ASP A 87 -12.193 5.016 -5.853 1.00 0.00 C ATOM 1264 C ASP A 87 -13.095 5.870 -4.966 1.00 0.00 C ATOM 1265 O ASP A 87 -12.876 7.071 -4.816 1.00 0.00 O ATOM 1266 CB ASP A 87 -13.005 4.423 -7.006 1.00 0.00 C ATOM 1267 CG ASP A 87 -12.131 3.714 -8.023 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -11.544 2.668 -7.676 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -12.036 4.206 -9.167 1.00 0.00 O ATOM 0 H ASP A 87 -11.648 3.024 -5.489 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.407 5.651 -6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.737 3.721 -6.608 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.562 5.218 -7.501 1.00 0.00 H new ATOM 1274 N ALA A 88 -14.110 5.241 -4.384 1.00 0.00 N ATOM 1275 CA ALA A 88 -15.044 5.942 -3.512 1.00 0.00 C ATOM 1276 C ALA A 88 -14.361 6.394 -2.226 1.00 0.00 C ATOM 1277 O ALA A 88 -14.948 7.119 -1.421 1.00 0.00 O ATOM 1278 CB ALA A 88 -16.238 5.054 -3.194 1.00 0.00 C ATOM 0 H ALA A 88 -14.307 4.247 -4.501 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.396 6.830 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.927 5.591 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.748 4.786 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.895 4.149 -2.693 1.00 0.00 H new ATOM 1284 N LEU A 89 -13.120 5.962 -2.038 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.356 6.323 -0.848 1.00 0.00 C ATOM 1286 C LEU A 89 -11.430 7.502 -1.131 1.00 0.00 C ATOM 1287 O LEU A 89 -11.028 8.221 -0.217 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.540 5.125 -0.360 1.00 0.00 C ATOM 1289 CG LEU A 89 -10.215 5.452 0.332 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.853 4.363 1.331 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -9.107 5.628 -0.696 1.00 0.00 C ATOM 0 H LEU A 89 -12.620 5.361 -2.694 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.060 6.617 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.155 4.549 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.332 4.481 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.330 6.390 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.908 4.612 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.636 4.286 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.755 3.410 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.172 5.860 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.990 4.707 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.364 6.443 -1.372 1.00 0.00 H new ATOM 1303 N VAL A 90 -11.098 7.695 -2.403 1.00 0.00 N ATOM 1304 CA VAL A 90 -10.223 8.789 -2.808 1.00 0.00 C ATOM 1305 C VAL A 90 -10.989 10.103 -2.890 1.00 0.00 C ATOM 1306 O VAL A 90 -10.536 11.133 -2.387 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.564 8.505 -4.170 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.476 9.529 -4.461 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -9.001 7.092 -4.206 1.00 0.00 C ATOM 0 H VAL A 90 -11.422 7.108 -3.172 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.446 8.872 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.325 8.588 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.021 9.312 -5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.912 10.528 -4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.714 9.481 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.539 6.909 -5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.253 6.978 -3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.807 6.375 -4.047 1.00 0.00 H new ATOM 1319 N THR A 91 -12.156 10.065 -3.527 1.00 0.00 N ATOM 1320 CA THR A 91 -12.986 11.252 -3.676 1.00 0.00 C ATOM 1321 C THR A 91 -13.396 11.810 -2.318 1.00 0.00 C ATOM 1322 O THR A 91 -13.408 13.024 -2.111 1.00 0.00 O ATOM 1323 CB THR A 91 -14.253 10.953 -4.500 1.00 0.00 C ATOM 1324 OG1 THR A 91 -13.890 10.535 -5.820 1.00 0.00 O ATOM 1325 CG2 THR A 91 -15.149 12.179 -4.579 1.00 0.00 C ATOM 0 H THR A 91 -12.547 9.222 -3.948 1.00 0.00 H new ATOM 0 HA THR A 91 -12.386 11.993 -4.204 1.00 0.00 H new ATOM 0 HB THR A 91 -14.803 10.153 -4.004 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.700 10.345 -6.337 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.037 11.943 -5.166 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.447 12.477 -3.574 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.606 12.996 -5.054 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.733 10.917 -1.394 1.00 0.00 N ATOM 1334 CA PHE A 92 -14.145 11.320 -0.054 1.00 0.00 C ATOM 1335 C PHE A 92 -12.969 11.904 0.723 1.00 0.00 C ATOM 1336 O PHE A 92 -13.152 12.711 1.636 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.730 10.127 0.703 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.375 10.502 2.007 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.613 10.656 3.154 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.744 10.701 2.085 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -15.203 11.001 4.354 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.340 11.048 3.283 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.569 11.197 4.420 1.00 0.00 C ATOM 0 H PHE A 92 -13.729 9.909 -1.548 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.911 12.089 -0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.468 9.632 0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.937 9.404 0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.545 10.504 3.109 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.352 10.584 1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.597 11.118 5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.408 11.203 3.330 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.033 11.466 5.358 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.760 11.490 0.356 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.553 11.971 1.019 1.00 0.00 C ATOM 1355 C HIS A 93 -10.256 13.414 0.625 1.00 0.00 C ATOM 1356 O HIS A 93 -9.810 14.212 1.449 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.363 11.079 0.668 1.00 0.00 C ATOM 1358 CG HIS A 93 -9.242 9.869 1.543 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.614 9.862 2.871 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -8.787 8.623 1.274 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -9.393 8.663 3.381 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -8.892 7.893 2.432 1.00 0.00 N ATOM 0 H HIS A 93 -11.590 10.823 -0.397 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.720 11.934 2.096 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.453 10.759 -0.370 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.446 11.664 0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.411 8.269 0.325 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.589 8.364 4.400 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -8.626 6.914 2.542 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.505 13.741 -0.639 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.262 15.088 -1.142 1.00 0.00 C ATOM 1372 C GLN A 94 -11.055 16.118 -0.344 1.00 0.00 C ATOM 1373 O GLN A 94 -10.738 17.308 -0.362 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.633 15.177 -2.623 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.526 14.715 -3.556 1.00 0.00 C ATOM 1376 CD GLN A 94 -10.018 14.470 -4.969 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -11.006 13.768 -5.182 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -9.329 15.050 -5.946 1.00 0.00 N ATOM 0 H GLN A 94 -10.875 13.092 -1.333 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.200 15.305 -1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.523 14.575 -2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.892 16.208 -2.863 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.736 15.465 -3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.085 13.798 -3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.516 15.624 -5.725 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.614 14.921 -6.917 1.00 0.00 H new ATOM 1387 N GLN A 95 -12.085 15.653 0.354 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.923 16.535 1.158 1.00 0.00 C ATOM 1389 C GLN A 95 -12.713 16.279 2.646 1.00 0.00 C ATOM 1390 O GLN A 95 -12.939 17.160 3.477 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.398 16.339 0.798 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.667 16.362 -0.698 1.00 0.00 C ATOM 1393 CD GLN A 95 -16.147 16.328 -1.025 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.884 17.264 -0.718 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.590 15.244 -1.652 1.00 0.00 N ATOM 0 H GLN A 95 -12.360 14.671 0.379 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.636 17.564 0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.740 15.388 1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.987 17.121 1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.224 17.260 -1.129 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.176 15.508 -1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.943 14.491 -1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.577 15.164 -1.898 1.00 0.00 H new ATOM 1404 N LYS A 96 -12.279 15.068 2.977 1.00 0.00 N ATOM 1405 CA LYS A 96 -12.035 14.695 4.367 1.00 0.00 C ATOM 1406 C LYS A 96 -10.609 14.189 4.552 1.00 0.00 C ATOM 1407 O LYS A 96 -10.207 13.171 3.987 1.00 0.00 O ATOM 1408 CB LYS A 96 -13.031 13.621 4.809 1.00 0.00 C ATOM 1409 CG LYS A 96 -14.311 14.184 5.402 1.00 0.00 C ATOM 1410 CD LYS A 96 -14.193 14.374 6.905 1.00 0.00 C ATOM 1411 CE LYS A 96 -14.380 13.061 7.650 1.00 0.00 C ATOM 1412 NZ LYS A 96 -14.921 13.273 9.020 1.00 0.00 N ATOM 0 H LYS A 96 -12.089 14.327 2.302 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.169 15.583 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.282 12.996 3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.553 12.975 5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.542 15.139 4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.141 13.512 5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.216 14.793 7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.939 15.094 7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.057 12.418 7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.425 12.540 7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.034 12.355 9.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.263 13.866 9.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.845 13.747 8.959 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.825 14.913 5.365 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.431 14.554 5.645 1.00 0.00 C ATOM 1428 C PRO A 97 -8.317 13.295 6.497 1.00 0.00 C ATOM 1429 O PRO A 97 -9.320 12.651 6.806 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.901 15.768 6.412 1.00 0.00 C ATOM 1431 CG PRO A 97 -9.107 16.382 7.033 1.00 0.00 C ATOM 1432 CD PRO A 97 -10.237 16.137 6.071 1.00 0.00 C ATOM 0 HA PRO A 97 -7.876 14.332 4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.174 15.472 7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.399 16.469 5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.317 15.934 8.004 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.960 17.449 7.199 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.185 16.001 6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.368 16.973 5.384 1.00 0.00 H new ATOM 1440 N ILE A 98 -7.090 12.949 6.874 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.847 11.768 7.691 1.00 0.00 C ATOM 1442 C ILE A 98 -6.819 12.121 9.174 1.00 0.00 C ATOM 1443 O ILE A 98 -6.319 13.176 9.561 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.519 11.086 7.312 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -5.207 11.313 5.831 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.579 9.598 7.624 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.320 10.875 4.906 1.00 0.00 C ATOM 0 H ILE A 98 -6.249 13.471 6.626 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.669 11.078 7.500 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.719 11.530 7.904 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.006 12.372 5.668 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.297 10.772 5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.633 9.130 7.350 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.759 9.457 8.690 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.388 9.139 7.056 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.030 11.065 3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.507 9.810 5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.227 11.434 5.137 1.00 0.00 H new ATOM 1459 N GLU A 99 -7.359 11.230 9.999 1.00 0.00 N ATOM 1460 CA GLU A 99 -7.396 11.447 11.440 1.00 0.00 C ATOM 1461 C GLU A 99 -6.125 12.146 11.917 1.00 0.00 C ATOM 1462 O GLU A 99 -6.164 13.228 12.503 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.565 10.116 12.176 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.897 10.085 13.540 1.00 0.00 C ATOM 1465 CD GLU A 99 -7.443 8.987 14.432 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -8.618 9.085 14.842 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -6.694 8.030 14.720 1.00 0.00 O ATOM 0 H GLU A 99 -7.777 10.351 9.694 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.249 12.087 11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.629 9.910 12.297 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.153 9.316 11.561 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.824 9.944 13.412 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.035 11.049 14.030 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.970 11.513 11.660 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.666 12.055 12.055 1.00 0.00 C ATOM 1476 C PRO A 100 -3.283 13.289 11.246 1.00 0.00 C ATOM 1477 O PRO A 100 -2.881 14.309 11.805 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.701 10.903 11.763 1.00 0.00 C ATOM 1479 CG PRO A 100 -3.373 10.105 10.699 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.849 10.221 10.966 1.00 0.00 C ATOM 0 HA PRO A 100 -3.658 12.383 13.094 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.732 11.274 11.427 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.521 10.302 12.654 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.124 10.487 9.709 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.051 9.064 10.730 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.427 10.206 10.042 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.212 9.398 11.582 1.00 0.00 H new ATOM 1488 N ARG A 101 -3.409 13.189 9.926 1.00 0.00 N ATOM 1489 CA ARG A 101 -3.075 14.297 9.040 1.00 0.00 C ATOM 1490 C ARG A 101 -4.332 15.051 8.614 1.00 0.00 C ATOM 1491 O ARG A 101 -5.186 14.507 7.915 1.00 0.00 O ATOM 1492 CB ARG A 101 -2.331 13.785 7.806 1.00 0.00 C ATOM 1493 CG ARG A 101 -1.013 13.103 8.129 1.00 0.00 C ATOM 1494 CD ARG A 101 -0.312 13.771 9.302 1.00 0.00 C ATOM 1495 NE ARG A 101 -0.047 15.184 9.048 1.00 0.00 N ATOM 1496 CZ ARG A 101 0.462 16.010 9.954 1.00 0.00 C ATOM 1497 NH1 ARG A 101 0.760 15.566 11.168 1.00 0.00 N ATOM 1498 NH2 ARG A 101 0.675 17.283 9.648 1.00 0.00 N ATOM 0 H ARG A 101 -3.740 12.351 9.447 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.428 14.984 9.586 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.972 13.084 7.271 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.142 14.621 7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.193 12.053 8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.364 13.129 7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.928 13.673 10.196 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.628 13.256 9.504 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.265 15.557 8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.598 14.588 11.407 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.151 16.203 11.862 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.448 17.628 8.716 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.066 17.917 10.345 1.00 0.00 H new ATOM 1512 N ARG A 102 -4.436 16.305 9.041 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.589 17.132 8.705 1.00 0.00 C ATOM 1514 C ARG A 102 -5.473 17.675 7.284 1.00 0.00 C ATOM 1515 O ARG A 102 -6.383 18.339 6.787 1.00 0.00 O ATOM 1516 CB ARG A 102 -5.718 18.291 9.697 1.00 0.00 C ATOM 1517 CG ARG A 102 -4.493 19.189 9.747 1.00 0.00 C ATOM 1518 CD ARG A 102 -4.602 20.336 8.755 1.00 0.00 C ATOM 1519 NE ARG A 102 -5.216 21.519 9.352 1.00 0.00 N ATOM 1520 CZ ARG A 102 -5.108 22.740 8.841 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -4.412 22.938 7.729 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -5.695 23.767 9.442 1.00 0.00 N ATOM 0 H ARG A 102 -3.737 16.770 9.620 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.482 16.509 8.766 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.588 18.892 9.430 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.903 17.887 10.692 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.374 19.588 10.754 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.601 18.602 9.529 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.609 20.591 8.385 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.191 20.017 7.895 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.757 21.401 10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.958 22.151 7.264 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.331 23.877 7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.230 23.619 10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.611 24.704 9.048 1.00 0.00 H new ATOM 1536 N GLU A 103 -4.347 17.390 6.637 1.00 0.00 N ATOM 1537 CA GLU A 103 -4.112 17.852 5.274 1.00 0.00 C ATOM 1538 C GLU A 103 -5.060 17.164 4.296 1.00 0.00 C ATOM 1539 O GLU A 103 -5.398 15.991 4.461 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.661 17.589 4.866 1.00 0.00 C ATOM 1541 CG GLU A 103 -2.183 18.466 3.721 1.00 0.00 C ATOM 1542 CD GLU A 103 -2.667 19.897 3.840 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -2.599 20.455 4.956 1.00 0.00 O ATOM 1544 OE2 GLU A 103 -3.116 20.460 2.819 1.00 0.00 O ATOM 0 H GLU A 103 -3.584 16.842 7.034 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.301 18.925 5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.015 17.749 5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.557 16.543 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.093 18.456 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.531 18.046 2.777 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.487 17.902 3.277 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.397 17.365 2.271 1.00 0.00 C ATOM 1553 C LEU A 104 -5.669 17.124 0.953 1.00 0.00 C ATOM 1554 O LEU A 104 -4.493 17.458 0.810 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.569 18.324 2.052 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.778 18.125 2.966 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.836 19.181 2.689 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -9.357 16.729 2.791 1.00 0.00 C ATOM 0 H LEU A 104 -5.218 18.874 3.126 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.779 16.411 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.207 19.344 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.901 18.230 1.018 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.448 18.232 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.689 19.023 3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.417 20.171 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.161 19.107 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.217 16.606 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.671 16.592 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.599 15.987 3.042 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.377 16.542 -0.009 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.800 16.257 -1.319 1.00 0.00 C ATOM 1572 C LEU A 105 -6.212 17.316 -2.337 1.00 0.00 C ATOM 1573 O LEU A 105 -7.146 18.084 -2.108 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.237 14.873 -1.800 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.205 13.757 -0.755 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.914 12.517 -1.276 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.771 13.431 -0.366 1.00 0.00 C ATOM 0 H LEU A 105 -7.351 16.258 0.093 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.714 16.275 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.252 14.950 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.597 14.581 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.731 14.104 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.881 11.734 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.952 12.760 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.418 12.167 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.768 12.635 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.220 13.105 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.296 14.319 0.051 1.00 0.00 H new ATOM 1589 N THR A 106 -5.509 17.349 -3.465 1.00 0.00 N ATOM 1590 CA THR A 106 -5.801 18.311 -4.519 1.00 0.00 C ATOM 1591 C THR A 106 -6.069 17.610 -5.846 1.00 0.00 C ATOM 1592 O THR A 106 -7.114 17.811 -6.465 1.00 0.00 O ATOM 1593 CB THR A 106 -4.643 19.310 -4.705 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.640 18.746 -5.555 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.029 19.682 -3.364 1.00 0.00 C ATOM 0 H THR A 106 -4.733 16.720 -3.671 1.00 0.00 H new ATOM 0 HA THR A 106 -6.695 18.854 -4.211 1.00 0.00 H new ATOM 0 HB THR A 106 -5.043 20.213 -5.167 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.909 19.388 -5.669 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.214 20.388 -3.521 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.789 20.140 -2.730 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.644 18.785 -2.879 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.119 16.785 -6.276 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.253 16.053 -7.531 1.00 0.00 C ATOM 1605 C GLN A 107 -4.446 14.761 -7.496 1.00 0.00 C ATOM 1606 O GLN A 107 -3.441 14.646 -6.793 1.00 0.00 O ATOM 1607 CB GLN A 107 -4.797 16.923 -8.704 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.365 17.416 -8.575 1.00 0.00 C ATOM 1609 CD GLN A 107 -3.015 18.469 -9.608 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -2.973 18.187 -10.806 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -2.761 19.688 -9.150 1.00 0.00 N ATOM 0 H GLN A 107 -4.249 16.607 -5.774 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.305 15.799 -7.664 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.894 16.353 -9.628 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.462 17.782 -8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.215 17.828 -7.577 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.683 16.572 -8.677 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.808 19.877 -8.149 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.519 20.437 -9.799 1.00 0.00 H new ATOM 1620 N PRO A 108 -4.894 13.762 -8.270 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.227 12.458 -8.345 1.00 0.00 C ATOM 1622 C PRO A 108 -2.880 12.536 -9.056 1.00 0.00 C ATOM 1623 O PRO A 108 -2.710 13.306 -10.002 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.208 11.604 -9.152 1.00 0.00 C ATOM 1625 CG PRO A 108 -5.978 12.582 -9.969 1.00 0.00 C ATOM 1626 CD PRO A 108 -6.085 13.827 -9.133 1.00 0.00 C ATOM 0 HA PRO A 108 -4.004 12.057 -7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.683 10.888 -9.783 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.865 11.031 -8.498 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.471 12.787 -10.912 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.965 12.192 -10.216 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.086 14.726 -9.749 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.005 13.840 -8.548 1.00 0.00 H new ATOM 1634 N CYS A 109 -1.925 11.736 -8.593 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.592 11.716 -9.185 1.00 0.00 C ATOM 1636 C CYS A 109 -0.592 10.941 -10.500 1.00 0.00 C ATOM 1637 O CYS A 109 -1.546 10.227 -10.811 1.00 0.00 O ATOM 1638 CB CYS A 109 0.410 11.092 -8.213 1.00 0.00 C ATOM 1639 SG CYS A 109 2.141 11.361 -8.663 1.00 0.00 S ATOM 0 H CYS A 109 -2.049 11.094 -7.810 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.297 12.745 -9.390 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.237 11.501 -7.217 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.223 10.020 -8.154 1.00 0.00 H new ATOM 0 HG CYS A 109 2.908 10.988 -7.682 1.00 0.00 H new ATOM 1645 N ARG A 110 0.482 11.089 -11.268 1.00 0.00 N ATOM 1646 CA ARG A 110 0.604 10.407 -12.550 1.00 0.00 C ATOM 1647 C ARG A 110 1.853 9.530 -12.583 1.00 0.00 C ATOM 1648 O ARG A 110 2.942 9.973 -12.221 1.00 0.00 O ATOM 1649 CB ARG A 110 0.653 11.424 -13.691 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.175 12.672 -13.430 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.650 12.429 -13.706 1.00 0.00 C ATOM 1652 NE ARG A 110 -1.995 12.682 -15.103 1.00 0.00 N ATOM 1653 CZ ARG A 110 -2.225 13.894 -15.595 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -2.147 14.959 -14.810 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -2.532 14.043 -16.877 1.00 0.00 N ATOM 0 H ARG A 110 1.280 11.675 -11.024 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.271 9.770 -12.678 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.689 11.715 -13.863 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.300 10.948 -14.606 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.044 12.987 -12.395 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.185 13.487 -14.059 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.902 11.399 -13.451 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.250 13.072 -13.062 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.063 11.884 -15.735 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.910 14.850 -13.824 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.324 15.888 -15.192 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.592 13.226 -17.485 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.709 14.974 -17.254 1.00 0.00 H new ATOM 1669 N GLN A 111 1.685 8.285 -13.017 1.00 0.00 N ATOM 1670 CA GLN A 111 2.799 7.347 -13.095 1.00 0.00 C ATOM 1671 C GLN A 111 3.943 7.928 -13.919 1.00 0.00 C ATOM 1672 O GLN A 111 3.807 8.987 -14.530 1.00 0.00 O ATOM 1673 CB GLN A 111 2.335 6.023 -13.706 1.00 0.00 C ATOM 1674 CG GLN A 111 2.175 6.073 -15.216 1.00 0.00 C ATOM 1675 CD GLN A 111 1.198 5.035 -15.734 1.00 0.00 C ATOM 1676 OE1 GLN A 111 1.598 3.998 -16.264 1.00 0.00 O ATOM 1677 NE2 GLN A 111 -0.092 5.309 -15.582 1.00 0.00 N ATOM 0 H GLN A 111 0.789 7.903 -13.320 1.00 0.00 H new ATOM 0 HA GLN A 111 3.161 7.165 -12.083 1.00 0.00 H new ATOM 0 HB2 GLN A 111 3.053 5.243 -13.451 1.00 0.00 H new ATOM 0 HB3 GLN A 111 1.383 5.739 -13.257 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.834 7.066 -15.509 1.00 0.00 H new ATOM 0 HG3 GLN A 111 3.146 5.919 -15.686 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.379 6.181 -15.137 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -0.796 4.648 -15.910 1.00 0.00 H new ATOM 1686 N LYS A 112 5.071 7.227 -13.931 1.00 0.00 N ATOM 1687 CA LYS A 112 6.241 7.671 -14.680 1.00 0.00 C ATOM 1688 C LYS A 112 6.159 7.220 -16.136 1.00 0.00 C ATOM 1689 O LYS A 112 7.174 6.908 -16.756 1.00 0.00 O ATOM 1690 CB LYS A 112 7.520 7.128 -14.039 1.00 0.00 C ATOM 1691 CG LYS A 112 7.838 7.756 -12.693 1.00 0.00 C ATOM 1692 CD LYS A 112 9.076 7.134 -12.067 1.00 0.00 C ATOM 1693 CE LYS A 112 9.422 7.796 -10.742 1.00 0.00 C ATOM 1694 NZ LYS A 112 10.309 8.979 -10.928 1.00 0.00 N ATOM 0 H LYS A 112 5.200 6.348 -13.430 1.00 0.00 H new ATOM 0 HA LYS A 112 6.264 8.760 -14.656 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.425 6.049 -13.914 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.357 7.298 -14.717 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.991 8.828 -12.818 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.988 7.631 -12.022 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.910 6.068 -11.910 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.918 7.228 -12.753 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.505 8.105 -10.240 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.913 7.072 -10.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.522 9.402 -10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.195 8.681 -11.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.830 9.681 -11.528 1.00 0.00 H new