USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=29 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 106 THR OG1 : rot 180:sc= -1.53 USER MOD Set 1.2: A 107 GLN : amide:sc= 0 X(o=-1.5,f=-1.5) USER MOD Set 2.1: A 54 SER OG : rot -158:sc= -0.306 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0.494 K(o=0.19,f=-4.7) USER MOD Set 3.1: A 45 SER OG : rot 150:sc= 0 USER MOD Set 3.2: A 48 HIS : no HD1:sc= -0.0941 X(o=-0.13,f=-0.31) USER MOD Set 3.3: A 65 MET CE :methyl -139:sc= -0.0316 (180deg=-1.03) USER MOD Set 4.1: A 20 HIS : no HE2:sc= -4.33! X(o=-5.2!,f=-5.4) USER MOD Set 4.2: A 109 CYS SG : rot 113:sc= -0.889 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.5!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 39 SER OG : rot 74:sc= 0.231 USER MOD Single : A 46 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.25) USER MOD Single : A 47 SER OG : rot 180:sc= 0 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 -140:sc= -1.12 USER MOD Single : A 56 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.47) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.296 F(o=-1.2,f=-0.3) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 51:sc= 1.26 USER MOD Single : A 61 CYS SG : rot -112:sc= -2.67! USER MOD Single : A 62 CYS SG : rot 171:sc= -2.65! USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.0759 (180deg=-0.46) USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 75 MET CE :methyl -112:sc= -0.35 (180deg=-3.93!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -5.86! C(o=-6.4!,f=-5.9!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0302 USER MOD Single : A 85 SER OG : rot 21:sc= 0.446 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= -3.14 K(o=-3.1,f=-3.7!) USER MOD Single : A 94 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.5) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -120:sc= -1.27! (180deg=-2.81!) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -167:sc=-0.00157 (180deg=-0.0963) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 15 -7.724 1.482 -15.909 1.00 0.00 N ATOM 156 CA VAL A 15 -7.060 1.904 -14.681 1.00 0.00 C ATOM 157 C VAL A 15 -6.831 3.411 -14.669 1.00 0.00 C ATOM 158 O VAL A 15 -6.456 4.015 -15.673 1.00 0.00 O ATOM 159 CB VAL A 15 -5.707 1.189 -14.502 1.00 0.00 C ATOM 160 CG1 VAL A 15 -5.004 1.683 -13.246 1.00 0.00 C ATOM 161 CG2 VAL A 15 -5.904 -0.319 -14.455 1.00 0.00 C ATOM 0 HA VAL A 15 -7.719 1.634 -13.856 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.075 1.423 -15.359 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.050 1.167 -13.136 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.829 2.756 -13.325 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.629 1.480 -12.376 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.938 -0.808 -14.328 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.553 -0.575 -13.618 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.362 -0.655 -15.385 1.00 0.00 H new ATOM 171 N PRO A 16 -7.062 4.034 -13.504 1.00 0.00 N ATOM 172 CA PRO A 16 -6.887 5.479 -13.332 1.00 0.00 C ATOM 173 C PRO A 16 -5.421 5.896 -13.376 1.00 0.00 C ATOM 174 O PRO A 16 -4.564 5.135 -13.826 1.00 0.00 O ATOM 175 CB PRO A 16 -7.476 5.745 -11.945 1.00 0.00 C ATOM 176 CG PRO A 16 -7.348 4.449 -11.223 1.00 0.00 C ATOM 177 CD PRO A 16 -7.512 3.377 -12.266 1.00 0.00 C ATOM 0 HA PRO A 16 -7.367 6.045 -14.130 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.935 6.539 -11.431 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.517 6.060 -12.011 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.378 4.370 -10.731 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.108 4.358 -10.447 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.910 2.498 -12.036 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.547 3.044 -12.341 1.00 0.00 H new ATOM 185 N GLU A 17 -5.139 7.107 -12.905 1.00 0.00 N ATOM 186 CA GLU A 17 -3.775 7.622 -12.892 1.00 0.00 C ATOM 187 C GLU A 17 -3.165 7.511 -11.497 1.00 0.00 C ATOM 188 O GLU A 17 -1.951 7.368 -11.350 1.00 0.00 O ATOM 189 CB GLU A 17 -3.753 9.080 -13.356 1.00 0.00 C ATOM 190 CG GLU A 17 -4.543 10.017 -12.457 1.00 0.00 C ATOM 191 CD GLU A 17 -5.114 11.203 -13.211 1.00 0.00 C ATOM 192 OE1 GLU A 17 -6.045 11.001 -14.019 1.00 0.00 O ATOM 193 OE2 GLU A 17 -4.630 12.332 -12.991 1.00 0.00 O ATOM 0 H GLU A 17 -5.836 7.749 -12.528 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.180 7.020 -13.579 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.719 9.422 -13.404 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.154 9.137 -14.368 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.356 9.464 -11.987 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.897 10.377 -11.656 1.00 0.00 H new ATOM 200 N TRP A 18 -4.015 7.579 -10.479 1.00 0.00 N ATOM 201 CA TRP A 18 -3.561 7.487 -9.096 1.00 0.00 C ATOM 202 C TRP A 18 -3.166 6.056 -8.748 1.00 0.00 C ATOM 203 O TRP A 18 -2.575 5.804 -7.697 1.00 0.00 O ATOM 204 CB TRP A 18 -4.654 7.974 -8.145 1.00 0.00 C ATOM 205 CG TRP A 18 -5.973 7.295 -8.358 1.00 0.00 C ATOM 206 CD1 TRP A 18 -7.004 7.733 -9.140 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.402 6.057 -7.781 1.00 0.00 C ATOM 208 NE1 TRP A 18 -8.049 6.842 -9.082 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.705 5.805 -8.256 1.00 0.00 C ATOM 210 CE3 TRP A 18 -5.814 5.136 -6.911 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.424 4.671 -7.888 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.530 4.012 -6.546 1.00 0.00 C ATOM 213 CH2 TRP A 18 -7.824 3.787 -7.034 1.00 0.00 C ATOM 0 H TRP A 18 -5.023 7.698 -10.585 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.683 8.124 -8.984 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.331 7.810 -7.117 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.782 9.049 -8.271 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.999 8.645 -9.719 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -8.937 6.938 -9.574 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.817 5.300 -6.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.421 4.495 -8.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.085 3.294 -5.873 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.358 2.899 -6.730 1.00 0.00 H new ATOM 224 N PHE A 19 -3.495 5.123 -9.634 1.00 0.00 N ATOM 225 CA PHE A 19 -3.176 3.717 -9.418 1.00 0.00 C ATOM 226 C PHE A 19 -1.913 3.323 -10.180 1.00 0.00 C ATOM 227 O PHE A 19 -1.975 2.940 -11.349 1.00 0.00 O ATOM 228 CB PHE A 19 -4.345 2.832 -9.856 1.00 0.00 C ATOM 229 CG PHE A 19 -4.244 1.417 -9.363 1.00 0.00 C ATOM 230 CD1 PHE A 19 -4.549 1.104 -8.048 1.00 0.00 C ATOM 231 CD2 PHE A 19 -3.844 0.400 -10.215 1.00 0.00 C ATOM 232 CE1 PHE A 19 -4.455 -0.198 -7.593 1.00 0.00 C ATOM 233 CE2 PHE A 19 -3.749 -0.903 -9.765 1.00 0.00 C ATOM 234 CZ PHE A 19 -4.056 -1.203 -8.453 1.00 0.00 C ATOM 0 H PHE A 19 -3.983 5.315 -10.509 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.998 3.571 -8.353 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.276 3.269 -9.494 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.398 2.826 -10.945 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.863 1.885 -7.372 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.604 0.628 -11.243 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.693 -0.430 -6.565 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.435 -1.686 -10.439 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.984 -2.221 -8.100 1.00 0.00 H new ATOM 244 N HIS A 20 -0.769 3.421 -9.510 1.00 0.00 N ATOM 245 CA HIS A 20 0.508 3.075 -10.123 1.00 0.00 C ATOM 246 C HIS A 20 0.795 1.584 -9.977 1.00 0.00 C ATOM 247 O HIS A 20 1.949 1.159 -9.990 1.00 0.00 O ATOM 248 CB HIS A 20 1.638 3.888 -9.491 1.00 0.00 C ATOM 249 CG HIS A 20 1.423 5.368 -9.561 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.205 6.207 -10.327 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.506 6.160 -8.958 1.00 0.00 C ATOM 252 CE1 HIS A 20 1.780 7.450 -10.191 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.749 7.448 -9.365 1.00 0.00 N ATOM 0 H HIS A 20 -0.701 3.737 -8.543 1.00 0.00 H new ATOM 0 HA HIS A 20 0.449 3.313 -11.185 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.746 3.594 -8.447 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.575 3.641 -9.990 1.00 0.00 H new ATOM 0 HD1 HIS A 20 2.990 5.913 -10.908 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.272 5.838 -8.282 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.203 8.319 -10.673 1.00 0.00 H new ATOM 261 N GLY A 21 -0.265 0.793 -9.836 1.00 0.00 N ATOM 262 CA GLY A 21 -0.106 -0.642 -9.688 1.00 0.00 C ATOM 263 C GLY A 21 0.580 -1.019 -8.389 1.00 0.00 C ATOM 264 O GLY A 21 0.063 -0.746 -7.306 1.00 0.00 O ATOM 0 H GLY A 21 -1.231 1.121 -9.822 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.085 -1.119 -9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.473 -1.029 -10.527 1.00 0.00 H new ATOM 268 N ALA A 22 1.745 -1.648 -8.498 1.00 0.00 N ATOM 269 CA ALA A 22 2.502 -2.063 -7.323 1.00 0.00 C ATOM 270 C ALA A 22 3.903 -1.460 -7.332 1.00 0.00 C ATOM 271 O ALA A 22 4.855 -2.085 -7.798 1.00 0.00 O ATOM 272 CB ALA A 22 2.579 -3.581 -7.254 1.00 0.00 C ATOM 0 H ALA A 22 2.186 -1.882 -9.388 1.00 0.00 H new ATOM 0 HA ALA A 22 1.982 -1.696 -6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.147 -3.877 -6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.572 -3.994 -7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.073 -3.961 -8.148 1.00 0.00 H new ATOM 278 N ILE A 23 4.020 -0.242 -6.815 1.00 0.00 N ATOM 279 CA ILE A 23 5.305 0.445 -6.763 1.00 0.00 C ATOM 280 C ILE A 23 5.953 0.294 -5.391 1.00 0.00 C ATOM 281 O ILE A 23 5.385 -0.320 -4.489 1.00 0.00 O ATOM 282 CB ILE A 23 5.155 1.943 -7.086 1.00 0.00 C ATOM 283 CG1 ILE A 23 4.129 2.589 -6.153 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.752 2.134 -8.541 1.00 0.00 C ATOM 285 CD1 ILE A 23 4.325 4.078 -5.976 1.00 0.00 C ATOM 0 H ILE A 23 3.241 0.290 -6.426 1.00 0.00 H new ATOM 0 HA ILE A 23 5.942 -0.018 -7.516 1.00 0.00 H new ATOM 0 HB ILE A 23 6.117 2.431 -6.929 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.128 2.407 -6.545 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.182 2.105 -5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.650 3.198 -8.754 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.516 1.706 -9.189 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.800 1.635 -8.724 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.562 4.468 -5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.312 4.267 -5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.242 4.573 -6.943 1.00 0.00 H new ATOM 297 N SER A 24 7.146 0.861 -5.241 1.00 0.00 N ATOM 298 CA SER A 24 7.874 0.789 -3.980 1.00 0.00 C ATOM 299 C SER A 24 7.817 2.122 -3.242 1.00 0.00 C ATOM 300 O SER A 24 7.387 3.133 -3.797 1.00 0.00 O ATOM 301 CB SER A 24 9.330 0.392 -4.229 1.00 0.00 C ATOM 302 OG SER A 24 9.412 -0.817 -4.962 1.00 0.00 O ATOM 0 H SER A 24 7.629 1.375 -5.978 1.00 0.00 H new ATOM 0 HA SER A 24 7.399 0.030 -3.358 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.838 1.187 -4.775 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.847 0.279 -3.276 1.00 0.00 H new ATOM 0 HG SER A 24 10.353 -1.047 -5.109 1.00 0.00 H new ATOM 308 N ARG A 25 8.254 2.116 -1.987 1.00 0.00 N ATOM 309 CA ARG A 25 8.252 3.325 -1.171 1.00 0.00 C ATOM 310 C ARG A 25 9.027 4.445 -1.858 1.00 0.00 C ATOM 311 O ARG A 25 8.502 5.538 -2.068 1.00 0.00 O ATOM 312 CB ARG A 25 8.858 3.039 0.204 1.00 0.00 C ATOM 313 CG ARG A 25 8.320 3.938 1.305 1.00 0.00 C ATOM 314 CD ARG A 25 9.338 4.126 2.419 1.00 0.00 C ATOM 315 NE ARG A 25 8.779 4.851 3.556 1.00 0.00 N ATOM 316 CZ ARG A 25 9.410 4.997 4.716 1.00 0.00 C ATOM 317 NH1 ARG A 25 10.614 4.473 4.891 1.00 0.00 N ATOM 318 NH2 ARG A 25 8.835 5.670 5.704 1.00 0.00 N ATOM 0 H ARG A 25 8.614 1.288 -1.513 1.00 0.00 H new ATOM 0 HA ARG A 25 7.218 3.647 -1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.664 1.999 0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.940 3.157 0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.054 4.909 0.886 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.407 3.507 1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.696 3.151 2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.201 4.668 2.033 1.00 0.00 H new ATOM 0 HE ARG A 25 7.854 5.268 3.454 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.060 3.955 4.134 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.095 4.587 5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.908 6.075 5.573 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.320 5.782 6.595 1.00 0.00 H new ATOM 332 N GLU A 26 10.280 4.166 -2.203 1.00 0.00 N ATOM 333 CA GLU A 26 11.128 5.150 -2.864 1.00 0.00 C ATOM 334 C GLU A 26 10.488 5.635 -4.162 1.00 0.00 C ATOM 335 O GLU A 26 10.694 6.774 -4.581 1.00 0.00 O ATOM 336 CB GLU A 26 12.508 4.556 -3.154 1.00 0.00 C ATOM 337 CG GLU A 26 12.509 3.542 -4.285 1.00 0.00 C ATOM 338 CD GLU A 26 12.304 2.122 -3.797 1.00 0.00 C ATOM 339 OE1 GLU A 26 12.156 1.933 -2.571 1.00 0.00 O ATOM 340 OE2 GLU A 26 12.291 1.200 -4.638 1.00 0.00 O ATOM 0 H GLU A 26 10.730 3.266 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 26 11.241 6.002 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.197 5.364 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.886 4.079 -2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.722 3.795 -4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.455 3.604 -4.823 1.00 0.00 H new ATOM 347 N ASP A 27 9.712 4.762 -4.794 1.00 0.00 N ATOM 348 CA ASP A 27 9.041 5.099 -6.045 1.00 0.00 C ATOM 349 C ASP A 27 7.878 6.054 -5.796 1.00 0.00 C ATOM 350 O ASP A 27 7.768 7.094 -6.445 1.00 0.00 O ATOM 351 CB ASP A 27 8.538 3.831 -6.736 1.00 0.00 C ATOM 352 CG ASP A 27 9.567 3.238 -7.678 1.00 0.00 C ATOM 353 OD1 ASP A 27 10.764 3.562 -7.530 1.00 0.00 O ATOM 354 OD2 ASP A 27 9.175 2.449 -8.564 1.00 0.00 O ATOM 0 H ASP A 27 9.532 3.815 -4.461 1.00 0.00 H new ATOM 0 HA ASP A 27 9.762 5.595 -6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.271 3.091 -5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.629 4.060 -7.293 1.00 0.00 H new ATOM 359 N ALA A 28 7.013 5.693 -4.855 1.00 0.00 N ATOM 360 CA ALA A 28 5.859 6.518 -4.521 1.00 0.00 C ATOM 361 C ALA A 28 6.284 7.936 -4.156 1.00 0.00 C ATOM 362 O ALA A 28 5.758 8.909 -4.694 1.00 0.00 O ATOM 363 CB ALA A 28 5.074 5.891 -3.378 1.00 0.00 C ATOM 0 H ALA A 28 7.089 4.834 -4.310 1.00 0.00 H new ATOM 0 HA ALA A 28 5.218 6.574 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.215 6.518 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.729 4.900 -3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.715 5.805 -2.501 1.00 0.00 H new ATOM 369 N GLU A 29 7.241 8.045 -3.239 1.00 0.00 N ATOM 370 CA GLU A 29 7.736 9.345 -2.801 1.00 0.00 C ATOM 371 C GLU A 29 8.326 10.123 -3.973 1.00 0.00 C ATOM 372 O GLU A 29 8.205 11.345 -4.044 1.00 0.00 O ATOM 373 CB GLU A 29 8.790 9.172 -1.705 1.00 0.00 C ATOM 374 CG GLU A 29 8.213 8.725 -0.372 1.00 0.00 C ATOM 375 CD GLU A 29 9.129 9.044 0.794 1.00 0.00 C ATOM 376 OE1 GLU A 29 10.363 9.005 0.608 1.00 0.00 O ATOM 377 OE2 GLU A 29 8.609 9.331 1.893 1.00 0.00 O ATOM 0 H GLU A 29 7.689 7.249 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 29 6.895 9.910 -2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.529 8.442 -2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.316 10.117 -1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.249 9.210 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.028 7.651 -0.402 1.00 0.00 H new ATOM 384 N ASN A 30 8.968 9.406 -4.889 1.00 0.00 N ATOM 385 CA ASN A 30 9.580 10.029 -6.058 1.00 0.00 C ATOM 386 C ASN A 30 8.515 10.480 -7.054 1.00 0.00 C ATOM 387 O ASN A 30 8.742 11.391 -7.851 1.00 0.00 O ATOM 388 CB ASN A 30 10.546 9.054 -6.734 1.00 0.00 C ATOM 389 CG ASN A 30 11.950 9.148 -6.170 1.00 0.00 C ATOM 390 OD1 ASN A 30 12.190 9.843 -5.182 1.00 0.00 O ATOM 391 ND2 ASN A 30 12.887 8.445 -6.796 1.00 0.00 N ATOM 0 H ASN A 30 9.078 8.393 -4.845 1.00 0.00 H new ATOM 0 HA ASN A 30 10.134 10.906 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.176 8.036 -6.612 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.573 9.257 -7.805 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.850 8.468 -6.461 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.643 7.883 -7.611 1.00 0.00 H new ATOM 398 N LEU A 31 7.354 9.837 -7.002 1.00 0.00 N ATOM 399 CA LEU A 31 6.253 10.173 -7.899 1.00 0.00 C ATOM 400 C LEU A 31 5.555 11.452 -7.449 1.00 0.00 C ATOM 401 O LEU A 31 4.954 12.160 -8.257 1.00 0.00 O ATOM 402 CB LEU A 31 5.246 9.022 -7.954 1.00 0.00 C ATOM 403 CG LEU A 31 5.513 7.947 -9.009 1.00 0.00 C ATOM 404 CD1 LEU A 31 4.940 6.610 -8.565 1.00 0.00 C ATOM 405 CD2 LEU A 31 4.927 8.362 -10.352 1.00 0.00 C ATOM 0 H LEU A 31 7.150 9.081 -6.349 1.00 0.00 H new ATOM 0 HA LEU A 31 6.665 10.337 -8.895 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.218 8.543 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.256 9.440 -8.133 1.00 0.00 H new ATOM 0 HG LEU A 31 6.591 7.836 -9.124 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.139 5.857 -9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.406 6.308 -7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.864 6.705 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.126 7.586 -11.091 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.850 8.501 -10.252 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.385 9.297 -10.675 1.00 0.00 H new ATOM 417 N LEU A 32 5.641 11.744 -6.156 1.00 0.00 N ATOM 418 CA LEU A 32 5.021 12.941 -5.599 1.00 0.00 C ATOM 419 C LEU A 32 6.047 14.056 -5.423 1.00 0.00 C ATOM 420 O LEU A 32 5.702 15.237 -5.434 1.00 0.00 O ATOM 421 CB LEU A 32 4.364 12.620 -4.255 1.00 0.00 C ATOM 422 CG LEU A 32 3.369 11.460 -4.254 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.060 11.023 -2.830 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.091 11.852 -4.983 1.00 0.00 C ATOM 0 H LEU A 32 6.134 11.168 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 32 4.258 13.283 -6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.150 12.399 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.850 13.514 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 32 3.820 10.619 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.350 10.196 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.979 10.701 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.629 11.859 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.394 11.014 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.636 12.708 -4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.326 12.115 -6.014 1.00 0.00 H new ATOM 436 N GLU A 33 7.309 13.672 -5.265 1.00 0.00 N ATOM 437 CA GLU A 33 8.385 14.640 -5.090 1.00 0.00 C ATOM 438 C GLU A 33 8.356 15.692 -6.194 1.00 0.00 C ATOM 439 O GLU A 33 8.451 16.890 -5.927 1.00 0.00 O ATOM 440 CB GLU A 33 9.742 13.932 -5.082 1.00 0.00 C ATOM 441 CG GLU A 33 10.372 13.807 -6.459 1.00 0.00 C ATOM 442 CD GLU A 33 11.700 13.076 -6.429 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.452 13.252 -5.448 1.00 0.00 O ATOM 444 OE2 GLU A 33 11.987 12.329 -7.387 1.00 0.00 O ATOM 0 H GLU A 33 7.612 12.698 -5.255 1.00 0.00 H new ATOM 0 HA GLU A 33 8.237 15.139 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.423 14.477 -4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.620 12.936 -4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.686 13.279 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.519 14.802 -6.879 1.00 0.00 H new ATOM 451 N SER A 34 8.224 15.236 -7.436 1.00 0.00 N ATOM 452 CA SER A 34 8.185 16.138 -8.581 1.00 0.00 C ATOM 453 C SER A 34 6.772 16.664 -8.811 1.00 0.00 C ATOM 454 O SER A 34 6.479 17.247 -9.855 1.00 0.00 O ATOM 455 CB SER A 34 8.686 15.422 -9.836 1.00 0.00 C ATOM 456 OG SER A 34 10.099 15.312 -9.831 1.00 0.00 O ATOM 0 H SER A 34 8.142 14.248 -7.675 1.00 0.00 H new ATOM 0 HA SER A 34 8.838 16.985 -8.369 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.241 14.429 -9.894 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.364 15.968 -10.723 1.00 0.00 H new ATOM 0 HG SER A 34 10.394 14.849 -10.643 1.00 0.00 H new ATOM 462 N GLN A 35 5.902 16.454 -7.830 1.00 0.00 N ATOM 463 CA GLN A 35 4.518 16.907 -7.925 1.00 0.00 C ATOM 464 C GLN A 35 4.226 17.986 -6.888 1.00 0.00 C ATOM 465 O GLN A 35 4.858 18.056 -5.834 1.00 0.00 O ATOM 466 CB GLN A 35 3.560 15.729 -7.736 1.00 0.00 C ATOM 467 CG GLN A 35 3.649 14.690 -8.842 1.00 0.00 C ATOM 468 CD GLN A 35 3.318 15.261 -10.207 1.00 0.00 C ATOM 469 OE1 GLN A 35 2.169 15.600 -10.489 1.00 0.00 O ATOM 470 NE2 GLN A 35 4.328 15.372 -11.063 1.00 0.00 N ATOM 0 H GLN A 35 6.130 15.973 -6.960 1.00 0.00 H new ATOM 0 HA GLN A 35 4.369 17.333 -8.917 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.771 15.249 -6.780 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.539 16.106 -7.685 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.655 14.271 -8.862 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.967 13.870 -8.620 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.265 15.079 -10.787 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.166 15.751 -11.996 1.00 0.00 H new ATOM 479 N PRO A 36 3.247 18.850 -7.194 1.00 0.00 N ATOM 480 CA PRO A 36 2.848 19.942 -6.300 1.00 0.00 C ATOM 481 C PRO A 36 2.146 19.438 -5.045 1.00 0.00 C ATOM 482 O PRO A 36 1.511 18.382 -5.057 1.00 0.00 O ATOM 483 CB PRO A 36 1.884 20.767 -7.157 1.00 0.00 C ATOM 484 CG PRO A 36 1.342 19.801 -8.153 1.00 0.00 C ATOM 485 CD PRO A 36 2.452 18.827 -8.433 1.00 0.00 C ATOM 0 HA PRO A 36 3.707 20.506 -5.937 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.088 21.200 -6.552 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.398 21.594 -7.647 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.463 19.289 -7.761 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.033 20.313 -9.064 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.067 17.829 -8.645 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.044 19.130 -9.296 1.00 0.00 H new ATOM 493 N LEU A 37 2.263 20.197 -3.962 1.00 0.00 N ATOM 494 CA LEU A 37 1.638 19.828 -2.696 1.00 0.00 C ATOM 495 C LEU A 37 0.166 19.482 -2.895 1.00 0.00 C ATOM 496 O LEU A 37 -0.594 20.266 -3.464 1.00 0.00 O ATOM 497 CB LEU A 37 1.774 20.968 -1.685 1.00 0.00 C ATOM 498 CG LEU A 37 1.858 20.555 -0.215 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.594 19.823 0.208 1.00 0.00 C ATOM 500 CD2 LEU A 37 3.085 19.687 0.025 1.00 0.00 C ATOM 0 H LEU A 37 2.785 21.073 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 37 2.150 18.946 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.667 21.541 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.922 21.637 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 37 1.950 21.456 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.673 19.537 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.267 20.477 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.469 18.929 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.129 19.402 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.023 18.790 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.983 20.246 -0.237 1.00 0.00 H new ATOM 512 N GLY A 38 -0.230 18.303 -2.423 1.00 0.00 N ATOM 513 CA GLY A 38 -1.610 17.876 -2.558 1.00 0.00 C ATOM 514 C GLY A 38 -1.753 16.648 -3.435 1.00 0.00 C ATOM 515 O GLY A 38 -2.714 15.891 -3.301 1.00 0.00 O ATOM 0 H GLY A 38 0.380 17.637 -1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.020 17.663 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.200 18.690 -2.979 1.00 0.00 H new ATOM 519 N SER A 39 -0.796 16.451 -4.336 1.00 0.00 N ATOM 520 CA SER A 39 -0.823 15.309 -5.242 1.00 0.00 C ATOM 521 C SER A 39 -0.886 13.999 -4.463 1.00 0.00 C ATOM 522 O SER A 39 0.008 13.687 -3.675 1.00 0.00 O ATOM 523 CB SER A 39 0.412 15.320 -6.145 1.00 0.00 C ATOM 524 OG SER A 39 0.514 16.541 -6.855 1.00 0.00 O ATOM 0 H SER A 39 0.008 17.067 -4.458 1.00 0.00 H new ATOM 0 HA SER A 39 -1.718 15.387 -5.860 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.308 15.170 -5.543 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.359 14.490 -6.849 1.00 0.00 H new ATOM 0 HG SER A 39 0.803 17.251 -6.245 1.00 0.00 H new ATOM 530 N PHE A 40 -1.949 13.233 -4.689 1.00 0.00 N ATOM 531 CA PHE A 40 -2.132 11.957 -4.009 1.00 0.00 C ATOM 532 C PHE A 40 -1.938 10.792 -4.976 1.00 0.00 C ATOM 533 O PHE A 40 -2.078 10.949 -6.190 1.00 0.00 O ATOM 534 CB PHE A 40 -3.524 11.885 -3.378 1.00 0.00 C ATOM 535 CG PHE A 40 -4.622 11.650 -4.376 1.00 0.00 C ATOM 536 CD1 PHE A 40 -4.972 10.363 -4.752 1.00 0.00 C ATOM 537 CD2 PHE A 40 -5.304 12.716 -4.939 1.00 0.00 C ATOM 538 CE1 PHE A 40 -5.982 10.143 -5.668 1.00 0.00 C ATOM 539 CE2 PHE A 40 -6.316 12.503 -5.857 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.654 11.215 -6.222 1.00 0.00 C ATOM 0 H PHE A 40 -2.697 13.475 -5.339 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.381 11.882 -3.223 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.538 11.084 -2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.721 12.815 -2.845 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.448 9.521 -4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.042 13.725 -4.658 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.246 9.135 -5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.841 13.343 -6.288 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.443 11.046 -6.940 1.00 0.00 H new ATOM 550 N LEU A 41 -1.615 9.625 -4.430 1.00 0.00 N ATOM 551 CA LEU A 41 -1.401 8.433 -5.243 1.00 0.00 C ATOM 552 C LEU A 41 -1.442 7.173 -4.385 1.00 0.00 C ATOM 553 O LEU A 41 -1.096 7.204 -3.203 1.00 0.00 O ATOM 554 CB LEU A 41 -0.059 8.524 -5.973 1.00 0.00 C ATOM 555 CG LEU A 41 1.146 7.938 -5.236 1.00 0.00 C ATOM 556 CD1 LEU A 41 1.221 8.482 -3.818 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.076 6.418 -5.223 1.00 0.00 C ATOM 0 H LEU A 41 -1.496 9.479 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.204 8.375 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.155 8.016 -6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.146 9.573 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 41 2.051 8.236 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.085 8.054 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.320 9.567 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.313 8.216 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.941 6.018 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.164 6.100 -4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.072 6.045 -6.247 1.00 0.00 H new ATOM 569 N ILE A 42 -1.866 6.068 -4.987 1.00 0.00 N ATOM 570 CA ILE A 42 -1.948 4.796 -4.277 1.00 0.00 C ATOM 571 C ILE A 42 -1.081 3.736 -4.947 1.00 0.00 C ATOM 572 O ILE A 42 -0.770 3.832 -6.133 1.00 0.00 O ATOM 573 CB ILE A 42 -3.400 4.286 -4.205 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.279 5.288 -3.455 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.448 2.923 -3.532 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.647 4.747 -3.104 1.00 0.00 C ATOM 0 H ILE A 42 -2.158 6.026 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.583 4.974 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.785 4.183 -5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.771 5.591 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.397 6.184 -4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.480 2.575 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.850 2.214 -4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.048 3.002 -2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.215 5.511 -2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.174 4.471 -4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.539 3.869 -2.468 1.00 0.00 H new ATOM 588 N ARG A 43 -0.695 2.723 -4.178 1.00 0.00 N ATOM 589 CA ARG A 43 0.135 1.643 -4.695 1.00 0.00 C ATOM 590 C ARG A 43 -0.196 0.323 -4.006 1.00 0.00 C ATOM 591 O ARG A 43 -0.024 0.182 -2.796 1.00 0.00 O ATOM 592 CB ARG A 43 1.617 1.973 -4.503 1.00 0.00 C ATOM 593 CG ARG A 43 2.051 2.001 -3.046 1.00 0.00 C ATOM 594 CD ARG A 43 3.203 2.967 -2.826 1.00 0.00 C ATOM 595 NE ARG A 43 3.367 3.312 -1.416 1.00 0.00 N ATOM 596 CZ ARG A 43 3.800 2.459 -0.495 1.00 0.00 C ATOM 597 NH1 ARG A 43 4.113 1.216 -0.835 1.00 0.00 N ATOM 598 NH2 ARG A 43 3.922 2.848 0.767 1.00 0.00 N ATOM 0 H ARG A 43 -0.945 2.628 -3.194 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.073 1.538 -5.760 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.217 1.237 -5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.826 2.943 -4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.207 2.291 -2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.350 1.000 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.125 2.522 -3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.030 3.875 -3.404 1.00 0.00 H new ATOM 0 HE ARG A 43 3.136 4.261 -1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.021 0.914 -1.805 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.445 0.562 -0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.683 3.804 1.031 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.255 2.191 1.473 1.00 0.00 H new ATOM 612 N VAL A 44 -0.674 -0.642 -4.786 1.00 0.00 N ATOM 613 CA VAL A 44 -1.030 -1.951 -4.252 1.00 0.00 C ATOM 614 C VAL A 44 -0.054 -2.383 -3.163 1.00 0.00 C ATOM 615 O VAL A 44 1.161 -2.274 -3.325 1.00 0.00 O ATOM 616 CB VAL A 44 -1.055 -3.021 -5.359 1.00 0.00 C ATOM 617 CG1 VAL A 44 -1.139 -4.414 -4.753 1.00 0.00 C ATOM 618 CG2 VAL A 44 -2.214 -2.774 -6.312 1.00 0.00 C ATOM 0 H VAL A 44 -0.823 -0.541 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.029 -1.859 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.127 -2.954 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.156 -5.157 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.272 -4.586 -4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.049 -4.498 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.216 -3.539 -7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.153 -2.813 -5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.104 -1.792 -6.772 1.00 0.00 H new ATOM 628 N SER A 45 -0.595 -2.877 -2.054 1.00 0.00 N ATOM 629 CA SER A 45 0.229 -3.324 -0.936 1.00 0.00 C ATOM 630 C SER A 45 0.496 -4.823 -1.023 1.00 0.00 C ATOM 631 O SER A 45 -0.242 -5.560 -1.679 1.00 0.00 O ATOM 632 CB SER A 45 -0.454 -2.992 0.392 1.00 0.00 C ATOM 633 OG SER A 45 0.472 -3.028 1.465 1.00 0.00 O ATOM 0 H SER A 45 -1.599 -2.978 -1.905 1.00 0.00 H new ATOM 0 HA SER A 45 1.183 -2.800 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.909 -2.003 0.333 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.259 -3.703 0.578 1.00 0.00 H new ATOM 0 HG SER A 45 0.194 -2.393 2.158 1.00 0.00 H new ATOM 639 N HIS A 46 1.555 -5.270 -0.357 1.00 0.00 N ATOM 640 CA HIS A 46 1.920 -6.682 -0.357 1.00 0.00 C ATOM 641 C HIS A 46 1.972 -7.231 1.065 1.00 0.00 C ATOM 642 O HIS A 46 1.215 -8.134 1.420 1.00 0.00 O ATOM 643 CB HIS A 46 3.272 -6.880 -1.042 1.00 0.00 C ATOM 644 CG HIS A 46 3.306 -6.387 -2.456 1.00 0.00 C ATOM 645 ND1 HIS A 46 4.349 -5.646 -2.970 1.00 0.00 N ATOM 646 CD2 HIS A 46 2.418 -6.533 -3.467 1.00 0.00 C ATOM 647 CE1 HIS A 46 4.101 -5.355 -4.234 1.00 0.00 C ATOM 648 NE2 HIS A 46 2.934 -5.884 -4.560 1.00 0.00 N ATOM 0 H HIS A 46 2.176 -4.674 0.190 1.00 0.00 H new ATOM 0 HA HIS A 46 1.156 -7.229 -0.910 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.040 -6.363 -0.467 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.524 -7.940 -1.030 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.478 -7.062 -3.422 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.742 -4.783 -4.889 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.489 -5.820 -5.476 1.00 0.00 H new ATOM 656 N SER A 47 2.871 -6.679 1.874 1.00 0.00 N ATOM 657 CA SER A 47 3.023 -7.117 3.257 1.00 0.00 C ATOM 658 C SER A 47 1.676 -7.509 3.855 1.00 0.00 C ATOM 659 O SER A 47 1.554 -8.542 4.516 1.00 0.00 O ATOM 660 CB SER A 47 3.664 -6.010 4.096 1.00 0.00 C ATOM 661 OG SER A 47 4.051 -6.496 5.371 1.00 0.00 O ATOM 0 H SER A 47 3.504 -5.929 1.596 1.00 0.00 H new ATOM 0 HA SER A 47 3.672 -7.993 3.266 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.535 -5.612 3.575 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.960 -5.186 4.215 1.00 0.00 H new ATOM 0 HG SER A 47 4.459 -5.770 5.888 1.00 0.00 H new ATOM 667 N HIS A 48 0.667 -6.677 3.621 1.00 0.00 N ATOM 668 CA HIS A 48 -0.673 -6.936 4.135 1.00 0.00 C ATOM 669 C HIS A 48 -1.718 -6.782 3.034 1.00 0.00 C ATOM 670 O HIS A 48 -1.602 -5.910 2.172 1.00 0.00 O ATOM 671 CB HIS A 48 -0.991 -5.987 5.291 1.00 0.00 C ATOM 672 CG HIS A 48 -1.603 -4.693 4.853 1.00 0.00 C ATOM 673 ND1 HIS A 48 -0.859 -3.619 4.412 1.00 0.00 N ATOM 674 CD2 HIS A 48 -2.898 -4.304 4.787 1.00 0.00 C ATOM 675 CE1 HIS A 48 -1.670 -2.625 4.096 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.913 -3.015 4.314 1.00 0.00 N ATOM 0 H HIS A 48 0.752 -5.817 3.079 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.703 -7.963 4.498 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.671 -6.485 5.982 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.074 -5.778 5.841 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.759 -4.897 5.056 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.368 -1.658 3.723 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.748 -2.451 4.157 1.00 0.00 H new ATOM 684 N VAL A 49 -2.736 -7.635 3.068 1.00 0.00 N ATOM 685 CA VAL A 49 -3.801 -7.594 2.073 1.00 0.00 C ATOM 686 C VAL A 49 -4.555 -6.269 2.129 1.00 0.00 C ATOM 687 O VAL A 49 -5.144 -5.921 3.150 1.00 0.00 O ATOM 688 CB VAL A 49 -4.800 -8.749 2.271 1.00 0.00 C ATOM 689 CG1 VAL A 49 -5.442 -8.669 3.649 1.00 0.00 C ATOM 690 CG2 VAL A 49 -5.859 -8.732 1.179 1.00 0.00 C ATOM 0 H VAL A 49 -2.846 -8.363 3.774 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.326 -7.698 1.097 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.257 -9.691 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.145 -9.493 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.669 -8.735 4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.972 -7.722 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.556 -9.555 1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.401 -7.787 1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.380 -8.842 0.206 1.00 0.00 H new ATOM 700 N GLY A 50 -4.531 -5.534 1.022 1.00 0.00 N ATOM 701 CA GLY A 50 -5.216 -4.256 0.965 1.00 0.00 C ATOM 702 C GLY A 50 -4.538 -3.276 0.029 1.00 0.00 C ATOM 703 O GLY A 50 -4.332 -3.572 -1.149 1.00 0.00 O ATOM 0 H GLY A 50 -4.049 -5.801 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.244 -4.413 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.261 -3.826 1.966 1.00 0.00 H new ATOM 707 N TYR A 51 -4.191 -2.104 0.550 1.00 0.00 N ATOM 708 CA TYR A 51 -3.536 -1.076 -0.249 1.00 0.00 C ATOM 709 C TYR A 51 -2.855 -0.043 0.644 1.00 0.00 C ATOM 710 O TYR A 51 -2.855 -0.167 1.869 1.00 0.00 O ATOM 711 CB TYR A 51 -4.551 -0.385 -1.161 1.00 0.00 C ATOM 712 CG TYR A 51 -5.313 -1.340 -2.053 1.00 0.00 C ATOM 713 CD1 TYR A 51 -6.437 -2.010 -1.587 1.00 0.00 C ATOM 714 CD2 TYR A 51 -4.906 -1.574 -3.360 1.00 0.00 C ATOM 715 CE1 TYR A 51 -7.135 -2.885 -2.397 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.597 -2.446 -4.179 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.711 -3.098 -3.693 1.00 0.00 C ATOM 718 OH TYR A 51 -7.402 -3.968 -4.504 1.00 0.00 O ATOM 0 H TYR A 51 -4.353 -1.843 1.523 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.775 -1.559 -0.862 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.260 0.169 -0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.031 0.343 -1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.771 -1.844 -0.574 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.034 -1.065 -3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.006 -3.399 -2.019 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.267 -2.616 -5.193 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.974 -4.004 -5.385 1.00 0.00 H new ATOM 728 N THR A 52 -2.274 0.978 0.022 1.00 0.00 N ATOM 729 CA THR A 52 -1.588 2.032 0.757 1.00 0.00 C ATOM 730 C THR A 52 -1.806 3.391 0.104 1.00 0.00 C ATOM 731 O THR A 52 -1.421 3.608 -1.046 1.00 0.00 O ATOM 732 CB THR A 52 -0.076 1.758 0.853 1.00 0.00 C ATOM 733 OG1 THR A 52 0.157 0.520 1.534 1.00 0.00 O ATOM 734 CG2 THR A 52 0.635 2.886 1.585 1.00 0.00 C ATOM 0 H THR A 52 -2.265 1.097 -0.991 1.00 0.00 H new ATOM 0 HA THR A 52 -2.012 2.043 1.761 1.00 0.00 H new ATOM 0 HB THR A 52 0.322 1.696 -0.160 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.121 0.353 1.589 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.702 2.669 1.640 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.482 3.822 1.047 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.231 2.977 2.593 1.00 0.00 H new ATOM 742 N LEU A 53 -2.427 4.305 0.842 1.00 0.00 N ATOM 743 CA LEU A 53 -2.696 5.646 0.334 1.00 0.00 C ATOM 744 C LEU A 53 -1.594 6.616 0.746 1.00 0.00 C ATOM 745 O LEU A 53 -1.195 6.660 1.909 1.00 0.00 O ATOM 746 CB LEU A 53 -4.048 6.144 0.847 1.00 0.00 C ATOM 747 CG LEU A 53 -4.316 7.642 0.685 1.00 0.00 C ATOM 748 CD1 LEU A 53 -3.482 8.442 1.672 1.00 0.00 C ATOM 749 CD2 LEU A 53 -4.029 8.083 -0.742 1.00 0.00 C ATOM 0 H LEU A 53 -2.754 4.142 1.794 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.722 5.597 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.835 5.596 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.128 5.893 1.905 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.369 7.829 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.685 9.505 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.738 8.145 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.424 8.251 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.225 9.151 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.985 7.882 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.671 7.532 -1.429 1.00 0.00 H new ATOM 761 N SER A 54 -1.108 7.393 -0.216 1.00 0.00 N ATOM 762 CA SER A 54 -0.050 8.363 0.045 1.00 0.00 C ATOM 763 C SER A 54 -0.298 9.658 -0.722 1.00 0.00 C ATOM 764 O SER A 54 -0.993 9.667 -1.739 1.00 0.00 O ATOM 765 CB SER A 54 1.311 7.780 -0.340 1.00 0.00 C ATOM 766 OG SER A 54 1.868 7.034 0.728 1.00 0.00 O ATOM 0 H SER A 54 -1.430 7.370 -1.184 1.00 0.00 H new ATOM 0 HA SER A 54 -0.052 8.588 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.201 7.140 -1.216 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.990 8.586 -0.617 1.00 0.00 H new ATOM 0 HG SER A 54 2.840 6.976 0.615 1.00 0.00 H new ATOM 772 N TYR A 55 0.277 10.749 -0.229 1.00 0.00 N ATOM 773 CA TYR A 55 0.117 12.050 -0.866 1.00 0.00 C ATOM 774 C TYR A 55 1.088 13.069 -0.275 1.00 0.00 C ATOM 775 O TYR A 55 1.418 13.015 0.909 1.00 0.00 O ATOM 776 CB TYR A 55 -1.321 12.548 -0.705 1.00 0.00 C ATOM 777 CG TYR A 55 -1.717 12.802 0.732 1.00 0.00 C ATOM 778 CD1 TYR A 55 -2.278 11.794 1.506 1.00 0.00 C ATOM 779 CD2 TYR A 55 -1.530 14.049 1.314 1.00 0.00 C ATOM 780 CE1 TYR A 55 -2.642 12.022 2.820 1.00 0.00 C ATOM 781 CE2 TYR A 55 -1.890 14.286 2.627 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.446 13.269 3.375 1.00 0.00 C ATOM 783 OH TYR A 55 -2.807 13.501 4.683 1.00 0.00 O ATOM 0 H TYR A 55 0.858 10.758 0.609 1.00 0.00 H new ATOM 0 HA TYR A 55 0.338 11.936 -1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.443 13.469 -1.275 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.001 11.814 -1.136 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.432 10.816 1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.096 14.847 0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.077 11.228 3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.737 15.261 3.065 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.211 14.391 4.758 1.00 0.00 H new ATOM 793 N LYS A 56 1.541 13.997 -1.110 1.00 0.00 N ATOM 794 CA LYS A 56 2.473 15.031 -0.673 1.00 0.00 C ATOM 795 C LYS A 56 1.846 15.907 0.407 1.00 0.00 C ATOM 796 O LYS A 56 0.720 16.380 0.258 1.00 0.00 O ATOM 797 CB LYS A 56 2.902 15.895 -1.861 1.00 0.00 C ATOM 798 CG LYS A 56 4.263 16.545 -1.681 1.00 0.00 C ATOM 799 CD LYS A 56 5.378 15.662 -2.216 1.00 0.00 C ATOM 800 CE LYS A 56 6.681 15.896 -1.469 1.00 0.00 C ATOM 801 NZ LYS A 56 7.536 14.677 -1.446 1.00 0.00 N ATOM 0 H LYS A 56 1.278 14.055 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 56 3.351 14.540 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.919 15.279 -2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.156 16.673 -2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.279 17.505 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.434 16.747 -0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.089 14.615 -2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.525 15.862 -3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.227 16.713 -1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.463 16.205 -0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.530 14.952 -1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.239 14.059 -0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.437 14.167 -2.347 1.00 0.00 H new ATOM 815 N ALA A 57 2.584 16.120 1.491 1.00 0.00 N ATOM 816 CA ALA A 57 2.101 16.943 2.593 1.00 0.00 C ATOM 817 C ALA A 57 3.048 18.107 2.865 1.00 0.00 C ATOM 818 O ALA A 57 4.264 17.973 2.732 1.00 0.00 O ATOM 819 CB ALA A 57 1.927 16.097 3.846 1.00 0.00 C ATOM 0 H ALA A 57 3.518 15.734 1.630 1.00 0.00 H new ATOM 0 HA ALA A 57 1.133 17.356 2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.566 16.724 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.206 15.303 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.885 15.657 4.124 1.00 0.00 H new ATOM 825 N GLN A 58 2.482 19.247 3.246 1.00 0.00 N ATOM 826 CA GLN A 58 3.278 20.435 3.535 1.00 0.00 C ATOM 827 C GLN A 58 4.582 20.061 4.231 1.00 0.00 C ATOM 828 O GLN A 58 5.650 20.558 3.878 1.00 0.00 O ATOM 829 CB GLN A 58 2.482 21.408 4.407 1.00 0.00 C ATOM 830 CG GLN A 58 1.664 22.411 3.609 1.00 0.00 C ATOM 831 CD GLN A 58 0.405 22.845 4.331 1.00 0.00 C ATOM 832 OE1 GLN A 58 -0.746 22.603 3.713 1.00 0.00 O flip ATOM 833 NE2 GLN A 58 0.464 23.391 5.433 1.00 0.00 N flip ATOM 0 H GLN A 58 1.477 19.374 3.362 1.00 0.00 H new ATOM 0 HA GLN A 58 3.519 20.919 2.588 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.814 20.840 5.054 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.171 21.948 5.056 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.277 23.287 3.397 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.394 21.971 2.649 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.370 23.558 5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.393 23.677 5.907 1.00 0.00 H new ATOM 842 N SER A 59 4.486 19.180 5.222 1.00 0.00 N ATOM 843 CA SER A 59 5.658 18.741 5.971 1.00 0.00 C ATOM 844 C SER A 59 6.509 17.786 5.139 1.00 0.00 C ATOM 845 O SER A 59 7.654 18.088 4.805 1.00 0.00 O ATOM 846 CB SER A 59 5.232 18.060 7.273 1.00 0.00 C ATOM 847 OG SER A 59 4.955 19.016 8.282 1.00 0.00 O ATOM 0 H SER A 59 3.609 18.756 5.525 1.00 0.00 H new ATOM 0 HA SER A 59 6.257 19.620 6.208 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.348 17.448 7.095 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.021 17.388 7.611 1.00 0.00 H new ATOM 0 HG SER A 59 4.683 18.555 9.103 1.00 0.00 H new ATOM 853 N SER A 60 5.939 16.632 4.808 1.00 0.00 N ATOM 854 CA SER A 60 6.645 15.630 4.018 1.00 0.00 C ATOM 855 C SER A 60 5.698 14.515 3.582 1.00 0.00 C ATOM 856 O SER A 60 4.621 14.343 4.155 1.00 0.00 O ATOM 857 CB SER A 60 7.806 15.043 4.821 1.00 0.00 C ATOM 858 OG SER A 60 8.978 15.827 4.671 1.00 0.00 O ATOM 0 H SER A 60 4.991 16.368 5.074 1.00 0.00 H new ATOM 0 HA SER A 60 7.039 16.118 3.126 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.533 14.989 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.002 14.023 4.490 1.00 0.00 H new ATOM 0 HG SER A 60 8.767 16.768 4.846 1.00 0.00 H new ATOM 864 N CYS A 61 6.107 13.763 2.568 1.00 0.00 N ATOM 865 CA CYS A 61 5.297 12.665 2.054 1.00 0.00 C ATOM 866 C CYS A 61 4.710 11.841 3.197 1.00 0.00 C ATOM 867 O CYS A 61 5.350 11.654 4.231 1.00 0.00 O ATOM 868 CB CYS A 61 6.134 11.768 1.141 1.00 0.00 C ATOM 869 SG CYS A 61 5.175 10.894 -0.118 1.00 0.00 S ATOM 0 H CYS A 61 6.996 13.893 2.085 1.00 0.00 H new ATOM 0 HA CYS A 61 4.476 13.092 1.478 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.892 12.377 0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.662 11.036 1.753 1.00 0.00 H new ATOM 0 HG CYS A 61 5.182 9.620 0.138 1.00 0.00 H new ATOM 875 N CYS A 62 3.489 11.356 3.002 1.00 0.00 N ATOM 876 CA CYS A 62 2.814 10.554 4.017 1.00 0.00 C ATOM 877 C CYS A 62 2.518 9.153 3.495 1.00 0.00 C ATOM 878 O CYS A 62 2.245 8.998 2.306 1.00 0.00 O ATOM 879 CB CYS A 62 1.516 11.235 4.453 1.00 0.00 C ATOM 880 SG CYS A 62 0.300 11.421 3.129 1.00 0.00 S ATOM 0 H CYS A 62 2.946 11.504 2.151 1.00 0.00 H new ATOM 0 HA CYS A 62 3.477 10.467 4.878 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.070 10.658 5.263 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.752 12.220 4.856 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.826 11.835 3.629 1.00 0.00 H new ATOM 886 N HIS A 63 2.578 8.172 4.384 1.00 0.00 N ATOM 887 CA HIS A 63 2.316 6.796 3.999 1.00 0.00 C ATOM 888 C HIS A 63 1.226 6.210 4.900 1.00 0.00 C ATOM 889 O HIS A 63 1.409 6.010 6.101 1.00 0.00 O ATOM 890 CB HIS A 63 3.604 5.972 4.016 1.00 0.00 C ATOM 891 CG HIS A 63 4.590 6.352 2.936 1.00 0.00 C ATOM 892 ND1 HIS A 63 4.336 6.158 1.590 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.829 6.915 3.018 1.00 0.00 C ATOM 894 CE1 HIS A 63 5.384 6.588 0.902 1.00 0.00 C ATOM 895 NE2 HIS A 63 6.307 7.056 1.788 1.00 0.00 N ATOM 0 H HIS A 63 2.804 8.303 5.370 1.00 0.00 H new ATOM 0 HA HIS A 63 1.948 6.766 2.974 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.084 6.086 4.988 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.350 4.918 3.908 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.335 7.198 3.929 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.488 6.570 -0.173 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.216 7.450 1.546 1.00 0.00 H new ATOM 903 N PHE A 64 0.078 5.937 4.289 1.00 0.00 N ATOM 904 CA PHE A 64 -1.057 5.375 5.010 1.00 0.00 C ATOM 905 C PHE A 64 -1.422 3.998 4.463 1.00 0.00 C ATOM 906 O PHE A 64 -1.232 3.718 3.279 1.00 0.00 O ATOM 907 CB PHE A 64 -2.264 6.311 4.912 1.00 0.00 C ATOM 908 CG PHE A 64 -2.137 7.544 5.761 1.00 0.00 C ATOM 909 CD1 PHE A 64 -2.141 7.453 7.143 1.00 0.00 C ATOM 910 CD2 PHE A 64 -2.012 8.794 5.176 1.00 0.00 C ATOM 911 CE1 PHE A 64 -2.026 8.586 7.927 1.00 0.00 C ATOM 912 CE2 PHE A 64 -1.896 9.930 5.954 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.901 9.826 7.331 1.00 0.00 C ATOM 0 H PHE A 64 -0.091 6.096 3.296 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.773 5.267 6.057 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.400 6.608 3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.161 5.767 5.208 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.235 6.486 7.614 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.005 8.881 4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.034 8.502 9.004 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.801 10.899 5.486 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.807 10.712 7.941 1.00 0.00 H new ATOM 923 N MET A 65 -1.945 3.142 5.334 1.00 0.00 N ATOM 924 CA MET A 65 -2.338 1.794 4.938 1.00 0.00 C ATOM 925 C MET A 65 -3.856 1.651 4.924 1.00 0.00 C ATOM 926 O MET A 65 -4.553 2.248 5.745 1.00 0.00 O ATOM 927 CB MET A 65 -1.725 0.762 5.887 1.00 0.00 C ATOM 928 CG MET A 65 -2.245 0.864 7.313 1.00 0.00 C ATOM 929 SD MET A 65 -1.833 -0.582 8.307 1.00 0.00 S ATOM 930 CE MET A 65 -2.954 -1.797 7.618 1.00 0.00 C ATOM 0 H MET A 65 -2.107 3.357 6.318 1.00 0.00 H new ATOM 0 HA MET A 65 -1.966 1.616 3.929 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.930 -0.238 5.505 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.642 0.885 5.894 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.829 1.755 7.784 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.328 0.990 7.293 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.377 -2.399 8.422 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.757 -1.289 7.084 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.411 -2.443 6.928 1.00 0.00 H new ATOM 940 N VAL A 66 -4.363 0.857 3.986 1.00 0.00 N ATOM 941 CA VAL A 66 -5.799 0.635 3.867 1.00 0.00 C ATOM 942 C VAL A 66 -6.140 -0.845 4.000 1.00 0.00 C ATOM 943 O VAL A 66 -5.695 -1.670 3.202 1.00 0.00 O ATOM 944 CB VAL A 66 -6.337 1.155 2.521 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.831 0.892 2.404 1.00 0.00 C ATOM 946 CG2 VAL A 66 -6.035 2.638 2.363 1.00 0.00 C ATOM 0 H VAL A 66 -3.800 0.357 3.298 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.273 1.188 4.678 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.834 0.617 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.192 1.267 1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.018 -0.180 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.354 1.401 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.422 2.988 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.509 3.194 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.957 2.795 2.398 1.00 0.00 H new ATOM 956 N LYS A 67 -6.934 -1.174 5.014 1.00 0.00 N ATOM 957 CA LYS A 67 -7.337 -2.555 5.252 1.00 0.00 C ATOM 958 C LYS A 67 -8.567 -2.913 4.424 1.00 0.00 C ATOM 959 O LYS A 67 -9.245 -2.036 3.889 1.00 0.00 O ATOM 960 CB LYS A 67 -7.628 -2.774 6.739 1.00 0.00 C ATOM 961 CG LYS A 67 -6.618 -2.112 7.660 1.00 0.00 C ATOM 962 CD LYS A 67 -7.113 -2.077 9.096 1.00 0.00 C ATOM 963 CE LYS A 67 -8.201 -1.030 9.285 1.00 0.00 C ATOM 964 NZ LYS A 67 -8.705 -1.002 10.686 1.00 0.00 N ATOM 0 H LYS A 67 -7.311 -0.503 5.684 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.516 -3.204 4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.622 -2.389 6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.646 -3.845 6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.672 -2.652 7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.422 -1.096 7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.499 -3.058 9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.279 -1.862 9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.810 -0.048 9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.028 -1.238 8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.114 -0.068 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.435 -1.733 10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.919 -1.186 11.342 1.00 0.00 H new ATOM 978 N LEU A 68 -8.850 -4.208 4.323 1.00 0.00 N ATOM 979 CA LEU A 68 -10.000 -4.682 3.560 1.00 0.00 C ATOM 980 C LEU A 68 -11.086 -5.215 4.489 1.00 0.00 C ATOM 981 O LEU A 68 -10.956 -6.300 5.056 1.00 0.00 O ATOM 982 CB LEU A 68 -9.571 -5.774 2.579 1.00 0.00 C ATOM 983 CG LEU A 68 -10.393 -5.883 1.295 1.00 0.00 C ATOM 984 CD1 LEU A 68 -9.956 -7.092 0.483 1.00 0.00 C ATOM 985 CD2 LEU A 68 -11.878 -5.964 1.618 1.00 0.00 C ATOM 0 H LEU A 68 -8.299 -4.947 4.759 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.407 -3.840 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.530 -5.601 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.610 -6.734 3.095 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.220 -4.988 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.552 -7.154 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.903 -6.993 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.100 -7.997 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.448 -6.041 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.069 -6.842 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.182 -5.067 2.158 1.00 0.00 H new ATOM 997 N LEU A 69 -12.159 -4.445 4.639 1.00 0.00 N ATOM 998 CA LEU A 69 -13.270 -4.840 5.497 1.00 0.00 C ATOM 999 C LEU A 69 -13.933 -6.112 4.978 1.00 0.00 C ATOM 1000 O LEU A 69 -13.824 -6.444 3.797 1.00 0.00 O ATOM 1001 CB LEU A 69 -14.300 -3.712 5.583 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.838 -2.435 6.284 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -13.057 -2.769 7.545 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -12.998 -1.584 5.343 1.00 0.00 C ATOM 0 H LEU A 69 -12.283 -3.544 4.177 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.875 -5.039 6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.613 -3.455 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.181 -4.090 6.102 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.720 -1.862 6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.737 -1.847 8.030 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.691 -3.336 8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.182 -3.364 7.284 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.678 -0.679 5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.122 -2.150 5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.592 -1.313 4.470 1.00 0.00 H new ATOM 1016 N ASP A 70 -14.623 -6.819 5.867 1.00 0.00 N ATOM 1017 CA ASP A 70 -15.308 -8.052 5.498 1.00 0.00 C ATOM 1018 C ASP A 70 -16.523 -7.758 4.622 1.00 0.00 C ATOM 1019 O ASP A 70 -16.973 -8.616 3.862 1.00 0.00 O ATOM 1020 CB ASP A 70 -15.739 -8.815 6.751 1.00 0.00 C ATOM 1021 CG ASP A 70 -16.654 -9.982 6.432 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -16.137 -11.057 6.064 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -17.887 -9.820 6.550 1.00 0.00 O ATOM 0 H ASP A 70 -14.722 -6.559 6.848 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.613 -8.668 4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.855 -9.182 7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.249 -8.133 7.431 1.00 0.00 H new ATOM 1028 N ASP A 71 -17.047 -6.544 4.736 1.00 0.00 N ATOM 1029 CA ASP A 71 -18.209 -6.137 3.954 1.00 0.00 C ATOM 1030 C ASP A 71 -17.827 -5.889 2.499 1.00 0.00 C ATOM 1031 O ASP A 71 -18.685 -5.640 1.654 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.836 -4.876 4.552 1.00 0.00 C ATOM 1033 CG ASP A 71 -20.137 -4.498 3.871 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -20.911 -5.413 3.520 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -20.381 -3.287 3.691 1.00 0.00 O ATOM 0 H ASP A 71 -16.686 -5.824 5.362 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.938 -6.947 3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -19.018 -5.033 5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.131 -4.049 4.468 1.00 0.00 H new ATOM 1040 N GLY A 72 -16.529 -5.958 2.213 1.00 0.00 N ATOM 1041 CA GLY A 72 -16.055 -5.736 0.860 1.00 0.00 C ATOM 1042 C GLY A 72 -15.625 -4.302 0.623 1.00 0.00 C ATOM 1043 O GLY A 72 -15.416 -3.889 -0.518 1.00 0.00 O ATOM 0 H GLY A 72 -15.799 -6.164 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -15.215 -6.401 0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.844 -5.996 0.155 1.00 0.00 H new ATOM 1047 N THR A 73 -15.494 -3.538 1.704 1.00 0.00 N ATOM 1048 CA THR A 73 -15.090 -2.142 1.607 1.00 0.00 C ATOM 1049 C THR A 73 -13.638 -1.960 2.036 1.00 0.00 C ATOM 1050 O THR A 73 -12.957 -2.924 2.383 1.00 0.00 O ATOM 1051 CB THR A 73 -15.986 -1.237 2.474 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.733 -1.481 3.862 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.457 -1.483 2.172 1.00 0.00 C ATOM 0 H THR A 73 -15.662 -3.864 2.656 1.00 0.00 H new ATOM 0 HA THR A 73 -15.197 -1.853 0.561 1.00 0.00 H new ATOM 0 HB THR A 73 -15.751 -0.199 2.239 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.305 -0.900 4.406 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.070 -0.833 2.796 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.654 -1.269 1.122 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.702 -2.524 2.382 1.00 0.00 H new ATOM 1061 N PHE A 74 -13.171 -0.716 2.009 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.799 -0.407 2.394 1.00 0.00 C ATOM 1063 C PHE A 74 -11.733 0.910 3.164 1.00 0.00 C ATOM 1064 O PHE A 74 -12.225 1.938 2.700 1.00 0.00 O ATOM 1065 CB PHE A 74 -10.903 -0.331 1.156 1.00 0.00 C ATOM 1066 CG PHE A 74 -11.200 -1.394 0.136 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -12.421 -1.422 -0.518 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -10.258 -2.363 -0.168 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -12.697 -2.399 -1.458 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -10.528 -3.341 -1.106 1.00 0.00 C ATOM 1071 CZ PHE A 74 -11.750 -3.359 -1.751 1.00 0.00 C ATOM 0 H PHE A 74 -13.722 0.094 1.725 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.443 -1.206 3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.019 0.649 0.693 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.861 -0.416 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -13.165 -0.673 -0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.302 -2.354 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.652 -2.410 -1.962 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.785 -4.091 -1.335 1.00 0.00 H new ATOM 0 HZ PHE A 74 -11.964 -4.123 -2.483 1.00 0.00 H new ATOM 1081 N MET A 75 -11.122 0.868 4.344 1.00 0.00 N ATOM 1082 CA MET A 75 -10.991 2.057 5.178 1.00 0.00 C ATOM 1083 C MET A 75 -9.638 2.082 5.881 1.00 0.00 C ATOM 1084 O MET A 75 -8.997 1.043 6.050 1.00 0.00 O ATOM 1085 CB MET A 75 -12.117 2.107 6.211 1.00 0.00 C ATOM 1086 CG MET A 75 -11.769 1.424 7.524 1.00 0.00 C ATOM 1087 SD MET A 75 -13.044 1.638 8.780 1.00 0.00 S ATOM 1088 CE MET A 75 -12.816 3.364 9.204 1.00 0.00 C ATOM 0 H MET A 75 -10.710 0.025 4.743 1.00 0.00 H new ATOM 0 HA MET A 75 -11.061 2.933 4.533 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.371 3.148 6.409 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.006 1.636 5.791 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.616 0.360 7.346 1.00 0.00 H new ATOM 0 HG3 MET A 75 -10.826 1.823 7.898 1.00 0.00 H new ATOM 0 HE1 MET A 75 -12.432 3.441 10.221 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.106 3.818 8.513 1.00 0.00 H new ATOM 0 HE3 MET A 75 -13.771 3.885 9.136 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.209 3.272 6.289 1.00 0.00 N ATOM 1099 CA ILE A 76 -7.933 3.429 6.975 1.00 0.00 C ATOM 1100 C ILE A 76 -8.094 3.264 8.482 1.00 0.00 C ATOM 1101 O ILE A 76 -9.047 3.758 9.087 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.305 4.805 6.684 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.080 4.980 5.181 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -5.994 4.959 7.442 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -7.110 6.424 4.730 1.00 0.00 C ATOM 0 H ILE A 76 -9.727 4.141 6.156 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.273 2.649 6.596 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.992 5.581 7.022 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.118 4.544 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.845 4.423 4.640 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.562 5.936 7.227 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.180 4.873 8.512 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.300 4.179 7.130 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.944 6.473 3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.081 6.859 4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.327 6.982 5.244 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.142 2.556 9.105 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.154 2.311 10.550 1.00 0.00 C ATOM 1119 C PRO A 77 -6.876 3.577 11.355 1.00 0.00 C ATOM 1120 O PRO A 77 -5.726 3.898 11.647 1.00 0.00 O ATOM 1121 CB PRO A 77 -6.027 1.295 10.748 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.106 1.520 9.599 1.00 0.00 C ATOM 1123 CD PRO A 77 -5.977 1.938 8.447 1.00 0.00 C ATOM 0 HA PRO A 77 -8.127 1.961 10.895 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.518 1.449 11.699 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.411 0.275 10.754 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.371 2.291 9.833 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.551 0.613 9.360 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.465 2.643 7.792 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.268 1.085 7.833 1.00 0.00 H new ATOM 1131 N GLY A 78 -7.940 4.292 11.709 1.00 0.00 N ATOM 1132 CA GLY A 78 -7.789 5.515 12.478 1.00 0.00 C ATOM 1133 C GLY A 78 -8.923 6.492 12.241 1.00 0.00 C ATOM 1134 O GLY A 78 -9.170 7.376 13.061 1.00 0.00 O ATOM 0 H GLY A 78 -8.903 4.047 11.478 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.740 5.270 13.539 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.843 5.990 12.217 1.00 0.00 H new ATOM 1138 N GLU A 79 -9.614 6.334 11.116 1.00 0.00 N ATOM 1139 CA GLU A 79 -10.726 7.212 10.773 1.00 0.00 C ATOM 1140 C GLU A 79 -12.043 6.654 11.307 1.00 0.00 C ATOM 1141 O GLU A 79 -12.072 5.606 11.953 1.00 0.00 O ATOM 1142 CB GLU A 79 -10.814 7.393 9.257 1.00 0.00 C ATOM 1143 CG GLU A 79 -9.466 7.331 8.558 1.00 0.00 C ATOM 1144 CD GLU A 79 -9.552 7.709 7.092 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -9.979 6.858 6.284 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -9.191 8.855 6.752 1.00 0.00 O ATOM 0 H GLU A 79 -9.423 5.606 10.427 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.546 8.182 11.237 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.464 6.621 8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.282 8.353 9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.768 8.000 9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.061 6.323 8.646 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.132 7.364 11.034 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.454 6.941 11.484 1.00 0.00 C ATOM 1155 C LYS A 80 -15.400 6.759 10.300 1.00 0.00 C ATOM 1156 O LYS A 80 -16.620 6.808 10.455 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.034 7.967 12.460 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.211 8.136 13.725 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.150 9.211 13.562 1.00 0.00 C ATOM 1160 CE LYS A 80 -13.717 10.598 13.825 1.00 0.00 C ATOM 1161 NZ LYS A 80 -13.659 10.956 15.269 1.00 0.00 N ATOM 0 H LYS A 80 -13.126 8.235 10.503 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.348 5.983 11.992 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.113 8.931 11.957 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.046 7.666 12.732 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.868 8.395 14.555 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.735 7.189 13.979 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.326 9.017 14.249 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.740 9.170 12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.160 11.334 13.246 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.751 10.639 13.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.054 11.908 15.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.212 10.268 15.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.670 10.942 15.591 1.00 0.00 H new ATOM 1175 N VAL A 81 -14.828 6.546 9.120 1.00 0.00 N ATOM 1176 CA VAL A 81 -15.620 6.354 7.910 1.00 0.00 C ATOM 1177 C VAL A 81 -14.954 5.355 6.970 1.00 0.00 C ATOM 1178 O VAL A 81 -13.741 5.154 7.021 1.00 0.00 O ATOM 1179 CB VAL A 81 -15.834 7.683 7.162 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -17.071 8.397 7.686 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -14.603 8.568 7.287 1.00 0.00 C ATOM 0 H VAL A 81 -13.819 6.502 8.975 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.588 5.963 8.224 1.00 0.00 H new ATOM 0 HB VAL A 81 -15.990 7.465 6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.206 9.334 7.146 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -17.946 7.764 7.539 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -16.948 8.605 8.749 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -14.771 9.503 6.753 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.413 8.780 8.339 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -13.741 8.056 6.859 1.00 0.00 H new ATOM 1191 N ALA A 82 -15.757 4.732 6.113 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.245 3.756 5.160 1.00 0.00 C ATOM 1193 C ALA A 82 -15.663 4.108 3.736 1.00 0.00 C ATOM 1194 O ALA A 82 -16.312 5.128 3.503 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.728 2.359 5.524 1.00 0.00 C ATOM 0 H ALA A 82 -16.764 4.886 6.060 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.156 3.776 5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.338 1.640 4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.375 2.101 6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.818 2.335 5.507 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.285 3.258 2.786 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.621 3.480 1.384 1.00 0.00 C ATOM 1203 C HIS A 83 -15.705 2.157 0.630 1.00 0.00 C ATOM 1204 O HIS A 83 -14.896 1.253 0.846 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.583 4.390 0.728 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.069 5.465 1.635 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -12.904 5.566 2.317 1.00 0.00 N flip ATOM 1208 CD2 HIS A 83 -14.784 6.608 1.928 1.00 0.00 C flip ATOM 1209 CE1 HIS A 83 -12.936 6.756 3.002 1.00 0.00 C flip ATOM 1210 NE2 HIS A 83 -14.080 7.366 2.749 1.00 0.00 N flip ATOM 0 H HIS A 83 -14.746 2.410 2.962 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.597 3.964 1.341 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.745 3.783 0.386 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.024 4.852 -0.156 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -15.766 6.846 1.546 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.153 7.132 3.644 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -14.370 8.269 3.124 1.00 0.00 H new ATOM 1218 N THR A 84 -16.690 2.048 -0.257 1.00 0.00 N ATOM 1219 CA THR A 84 -16.881 0.835 -1.041 1.00 0.00 C ATOM 1220 C THR A 84 -15.557 0.329 -1.603 1.00 0.00 C ATOM 1221 O THR A 84 -15.231 -0.851 -1.480 1.00 0.00 O ATOM 1222 CB THR A 84 -17.863 1.068 -2.205 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.420 2.168 -3.008 1.00 0.00 O ATOM 1224 CG2 THR A 84 -19.264 1.346 -1.682 1.00 0.00 C ATOM 0 H THR A 84 -17.367 2.786 -0.450 1.00 0.00 H new ATOM 0 HA THR A 84 -17.297 0.086 -0.368 1.00 0.00 H new ATOM 0 HB THR A 84 -17.892 0.164 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 84 -18.049 2.308 -3.746 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.940 1.507 -2.521 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.609 0.494 -1.096 1.00 0.00 H new ATOM 0 HG23 THR A 84 -19.248 2.236 -1.053 1.00 0.00 H new ATOM 1232 N SER A 85 -14.798 1.230 -2.219 1.00 0.00 N ATOM 1233 CA SER A 85 -13.510 0.873 -2.802 1.00 0.00 C ATOM 1234 C SER A 85 -12.581 2.083 -2.846 1.00 0.00 C ATOM 1235 O SER A 85 -12.981 3.201 -2.522 1.00 0.00 O ATOM 1236 CB SER A 85 -13.703 0.312 -4.212 1.00 0.00 C ATOM 1237 OG SER A 85 -14.105 -1.046 -4.170 1.00 0.00 O ATOM 0 H SER A 85 -15.053 2.212 -2.327 1.00 0.00 H new ATOM 0 HA SER A 85 -13.053 0.108 -2.174 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.453 0.900 -4.741 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.773 0.402 -4.773 1.00 0.00 H new ATOM 0 HG SER A 85 -14.491 -1.246 -3.292 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.336 1.850 -3.250 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.348 2.919 -3.338 1.00 0.00 C ATOM 1245 C LEU A 86 -10.931 4.145 -4.035 1.00 0.00 C ATOM 1246 O LEU A 86 -10.753 5.273 -3.578 1.00 0.00 O ATOM 1247 CB LEU A 86 -9.107 2.432 -4.089 1.00 0.00 C ATOM 1248 CG LEU A 86 -8.481 1.134 -3.582 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -7.304 0.732 -4.456 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -8.045 1.284 -2.131 1.00 0.00 C ATOM 0 H LEU A 86 -10.988 0.931 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.064 3.202 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.371 2.299 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.351 3.216 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.232 0.345 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.871 -0.195 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.646 0.583 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.550 1.519 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.601 0.350 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.310 2.085 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.911 1.524 -1.514 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.629 3.913 -5.141 1.00 0.00 N ATOM 1263 CA ASP A 87 -12.242 4.997 -5.899 1.00 0.00 C ATOM 1264 C ASP A 87 -13.077 5.892 -4.989 1.00 0.00 C ATOM 1265 O ASP A 87 -12.859 7.101 -4.921 1.00 0.00 O ATOM 1266 CB ASP A 87 -13.114 4.434 -7.022 1.00 0.00 C ATOM 1267 CG ASP A 87 -14.205 5.397 -7.446 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -15.115 5.659 -6.630 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -14.152 5.887 -8.593 1.00 0.00 O ATOM 0 H ASP A 87 -11.784 2.984 -5.533 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.444 5.598 -6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.487 4.199 -7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.567 3.499 -6.692 1.00 0.00 H new ATOM 1274 N ALA A 88 -14.036 5.289 -4.293 1.00 0.00 N ATOM 1275 CA ALA A 88 -14.903 6.031 -3.387 1.00 0.00 C ATOM 1276 C ALA A 88 -14.153 6.447 -2.125 1.00 0.00 C ATOM 1277 O ALA A 88 -14.686 7.172 -1.284 1.00 0.00 O ATOM 1278 CB ALA A 88 -16.125 5.200 -3.026 1.00 0.00 C ATOM 0 H ALA A 88 -14.231 4.289 -4.340 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.230 6.936 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.763 5.767 -2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.681 4.958 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.807 4.278 -2.539 1.00 0.00 H new ATOM 1284 N LEU A 89 -12.915 5.983 -2.000 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.091 6.306 -0.841 1.00 0.00 C ATOM 1286 C LEU A 89 -11.129 7.448 -1.156 1.00 0.00 C ATOM 1287 O LEU A 89 -10.610 8.104 -0.253 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.306 5.074 -0.388 1.00 0.00 C ATOM 1289 CG LEU A 89 -9.926 5.340 0.215 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.463 4.147 1.036 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -8.919 5.660 -0.880 1.00 0.00 C ATOM 0 H LEU A 89 -12.460 5.382 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.752 6.625 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.904 4.537 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.184 4.411 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.000 6.203 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.479 4.355 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.172 3.964 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.405 3.266 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.943 5.847 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.848 4.817 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.244 6.546 -1.425 1.00 0.00 H new ATOM 1303 N VAL A 90 -10.899 7.681 -2.444 1.00 0.00 N ATOM 1304 CA VAL A 90 -10.002 8.745 -2.881 1.00 0.00 C ATOM 1305 C VAL A 90 -10.730 10.084 -2.945 1.00 0.00 C ATOM 1306 O VAL A 90 -10.171 11.125 -2.599 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.394 8.436 -4.261 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.613 9.634 -4.780 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.508 7.202 -4.188 1.00 0.00 C ATOM 0 H VAL A 90 -11.321 7.147 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.200 8.805 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.205 8.231 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.190 9.397 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.280 10.491 -4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.808 9.873 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.086 6.998 -5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.701 7.375 -3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.101 6.347 -3.863 1.00 0.00 H new ATOM 1319 N THR A 91 -11.982 10.049 -3.393 1.00 0.00 N ATOM 1320 CA THR A 91 -12.787 11.260 -3.504 1.00 0.00 C ATOM 1321 C THR A 91 -13.080 11.853 -2.131 1.00 0.00 C ATOM 1322 O THR A 91 -12.861 13.042 -1.897 1.00 0.00 O ATOM 1323 CB THR A 91 -14.118 10.984 -4.227 1.00 0.00 C ATOM 1324 OG1 THR A 91 -13.866 10.569 -5.575 1.00 0.00 O ATOM 1325 CG2 THR A 91 -14.999 12.224 -4.230 1.00 0.00 C ATOM 0 H THR A 91 -12.460 9.196 -3.684 1.00 0.00 H new ATOM 0 HA THR A 91 -12.206 11.974 -4.088 1.00 0.00 H new ATOM 0 HB THR A 91 -14.638 10.189 -3.693 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.717 10.394 -6.028 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.934 12.005 -4.746 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.212 12.521 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.483 13.036 -4.743 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.578 11.017 -1.225 1.00 0.00 N ATOM 1334 CA PHE A 92 -13.902 11.460 0.126 1.00 0.00 C ATOM 1335 C PHE A 92 -12.679 12.070 0.807 1.00 0.00 C ATOM 1336 O PHE A 92 -12.803 12.964 1.645 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.430 10.288 0.957 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.034 10.706 2.267 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.233 10.907 3.380 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.400 10.898 2.386 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -14.785 11.291 4.588 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -16.958 11.283 3.590 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.149 11.480 4.693 1.00 0.00 C ATOM 0 H PHE A 92 -13.766 10.030 -1.402 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.676 12.224 0.055 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.179 9.749 0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.614 9.592 1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.166 10.762 3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.037 10.745 1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.150 11.443 5.448 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.025 11.430 3.669 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.583 11.781 5.635 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.500 11.579 0.443 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.254 12.074 1.017 1.00 0.00 C ATOM 1355 C HIS A 93 -10.000 13.519 0.598 1.00 0.00 C ATOM 1356 O HIS A 93 -9.466 14.314 1.372 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.082 11.192 0.585 1.00 0.00 C ATOM 1358 CG HIS A 93 -8.848 10.022 1.490 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.116 10.051 2.843 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -8.371 8.782 1.229 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -8.811 8.880 3.374 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -8.357 8.093 2.417 1.00 0.00 N ATOM 0 H HIS A 93 -11.381 10.838 -0.248 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.344 12.039 2.103 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.265 10.828 -0.426 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.177 11.798 0.547 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -9.491 10.851 3.353 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.060 8.405 0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -8.916 8.612 4.415 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.385 13.852 -0.630 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.196 15.201 -1.150 1.00 0.00 C ATOM 1372 C GLN A 94 -10.988 16.215 -0.332 1.00 0.00 C ATOM 1373 O GLN A 94 -10.801 17.423 -0.476 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.623 15.268 -2.617 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.605 14.670 -3.576 1.00 0.00 C ATOM 1376 CD GLN A 94 -10.164 14.466 -4.969 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -10.633 13.380 -5.309 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -10.118 15.513 -5.785 1.00 0.00 N ATOM 0 H GLN A 94 -10.829 13.206 -1.283 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.137 15.448 -1.075 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.572 14.744 -2.735 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.798 16.309 -2.889 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.735 15.324 -3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.260 13.713 -3.183 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.720 16.395 -5.461 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.480 15.435 -6.735 1.00 0.00 H new ATOM 1387 N GLN A 95 -11.870 15.715 0.527 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.690 16.580 1.368 1.00 0.00 C ATOM 1389 C GLN A 95 -12.464 16.275 2.846 1.00 0.00 C ATOM 1390 O GLN A 95 -12.615 17.148 3.700 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.171 16.409 1.021 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.451 16.433 -0.472 1.00 0.00 C ATOM 1393 CD GLN A 95 -15.931 16.354 -0.790 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.720 17.184 -0.337 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.318 15.353 -1.572 1.00 0.00 N ATOM 0 H GLN A 95 -12.035 14.717 0.659 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.396 17.613 1.179 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.526 15.465 1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.743 17.202 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.040 17.347 -0.900 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.936 15.598 -0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.631 14.687 -1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.302 15.250 -1.819 1.00 0.00 H new ATOM 1404 N LYS A 96 -12.103 15.031 3.140 1.00 0.00 N ATOM 1405 CA LYS A 96 -11.855 14.610 4.514 1.00 0.00 C ATOM 1406 C LYS A 96 -10.472 13.981 4.649 1.00 0.00 C ATOM 1407 O LYS A 96 -10.202 12.899 4.128 1.00 0.00 O ATOM 1408 CB LYS A 96 -12.926 13.614 4.964 1.00 0.00 C ATOM 1409 CG LYS A 96 -14.149 14.272 5.580 1.00 0.00 C ATOM 1410 CD LYS A 96 -13.942 14.566 7.056 1.00 0.00 C ATOM 1411 CE LYS A 96 -13.586 13.304 7.830 1.00 0.00 C ATOM 1412 NZ LYS A 96 -12.112 13.120 7.941 1.00 0.00 N ATOM 0 H LYS A 96 -11.975 14.296 2.445 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.897 15.493 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.238 13.017 4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.490 12.927 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.369 15.199 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.014 13.621 5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.148 15.303 7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.849 15.006 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.022 13.354 8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.024 12.438 7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.840 12.220 7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.627 13.904 7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.838 13.108 8.944 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.574 14.674 5.365 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.204 14.201 5.587 1.00 0.00 C ATOM 1428 C PRO A 97 -8.152 12.989 6.510 1.00 0.00 C ATOM 1429 O PRO A 97 -9.180 12.381 6.811 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.516 15.401 6.242 1.00 0.00 C ATOM 1431 CG PRO A 97 -8.620 16.164 6.890 1.00 0.00 C ATOM 1432 CD PRO A 97 -9.827 15.971 6.014 1.00 0.00 C ATOM 0 HA PRO A 97 -7.731 13.874 4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.774 15.081 6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.994 16.010 5.504 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.808 15.797 7.899 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.366 17.220 6.977 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.748 15.956 6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -9.925 16.774 5.283 1.00 0.00 H new ATOM 1440 N ILE A 98 -6.949 12.642 6.957 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.764 11.503 7.847 1.00 0.00 C ATOM 1442 C ILE A 98 -6.638 11.954 9.298 1.00 0.00 C ATOM 1443 O ILE A 98 -6.185 13.064 9.575 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.516 10.686 7.464 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -5.251 10.794 5.961 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.690 9.231 7.874 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.358 10.215 5.109 1.00 0.00 C ATOM 0 H ILE A 98 -6.088 13.134 6.717 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.647 10.873 7.741 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.656 11.093 7.995 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.113 11.843 5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.318 10.282 5.727 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.800 8.666 7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.836 9.172 8.953 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.559 8.811 7.367 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.102 10.326 4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.482 9.158 5.343 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.289 10.743 5.314 1.00 0.00 H new ATOM 1459 N GLU A 99 -7.039 11.084 10.219 1.00 0.00 N ATOM 1460 CA GLU A 99 -6.969 11.394 11.643 1.00 0.00 C ATOM 1461 C GLU A 99 -5.660 12.100 11.982 1.00 0.00 C ATOM 1462 O GLU A 99 -5.644 13.221 12.494 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.101 10.115 12.473 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.334 10.159 13.784 1.00 0.00 C ATOM 1465 CD GLU A 99 -6.747 9.054 14.738 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -7.863 9.135 15.293 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -5.954 8.109 14.928 1.00 0.00 O ATOM 0 H GLU A 99 -7.415 10.160 10.006 1.00 0.00 H new ATOM 0 HA GLU A 99 -7.796 12.062 11.884 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.155 9.936 12.684 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.746 9.270 11.882 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.267 10.077 13.579 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.494 11.125 14.262 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.534 11.432 11.691 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.199 11.975 11.957 1.00 0.00 C ATOM 1476 C PRO A 100 -2.857 13.145 11.041 1.00 0.00 C ATOM 1477 O PRO A 100 -2.443 14.208 11.503 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.272 10.789 11.681 1.00 0.00 C ATOM 1479 CG PRO A 100 -3.027 9.933 10.723 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.479 10.092 11.081 1.00 0.00 C ATOM 0 HA PRO A 100 -3.114 12.372 12.968 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.324 11.118 11.256 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.039 10.247 12.598 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.843 10.242 9.694 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.717 8.891 10.803 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.120 10.024 10.202 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.809 9.320 11.776 1.00 0.00 H new ATOM 1488 N ARG A 101 -3.033 12.941 9.738 1.00 0.00 N ATOM 1489 CA ARG A 101 -2.741 13.979 8.757 1.00 0.00 C ATOM 1490 C ARG A 101 -4.007 14.744 8.384 1.00 0.00 C ATOM 1491 O ARG A 101 -4.953 14.172 7.842 1.00 0.00 O ATOM 1492 CB ARG A 101 -2.115 13.364 7.504 1.00 0.00 C ATOM 1493 CG ARG A 101 -0.709 12.829 7.724 1.00 0.00 C ATOM 1494 CD ARG A 101 0.330 13.933 7.613 1.00 0.00 C ATOM 1495 NE ARG A 101 1.692 13.414 7.713 1.00 0.00 N ATOM 1496 CZ ARG A 101 2.270 13.082 8.863 1.00 0.00 C ATOM 1497 NH1 ARG A 101 1.607 13.215 10.003 1.00 0.00 N ATOM 1498 NH2 ARG A 101 3.512 12.618 8.871 1.00 0.00 N ATOM 0 H ARG A 101 -3.376 12.067 9.339 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.033 14.678 9.203 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.752 12.553 7.151 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.089 14.116 6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.645 12.365 8.708 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.495 12.052 6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.208 14.451 6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.163 14.668 8.400 1.00 0.00 H new ATOM 0 HE ARG A 101 2.229 13.300 6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.652 13.573 9.999 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.052 12.960 10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 101 4.024 12.516 7.995 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.956 12.363 9.753 1.00 0.00 H new ATOM 1512 N ARG A 102 -4.016 16.041 8.677 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.166 16.884 8.373 1.00 0.00 C ATOM 1514 C ARG A 102 -5.113 17.377 6.931 1.00 0.00 C ATOM 1515 O ARG A 102 -6.103 17.878 6.399 1.00 0.00 O ATOM 1516 CB ARG A 102 -5.217 18.078 9.330 1.00 0.00 C ATOM 1517 CG ARG A 102 -4.108 19.090 9.100 1.00 0.00 C ATOM 1518 CD ARG A 102 -2.859 18.740 9.896 1.00 0.00 C ATOM 1519 NE ARG A 102 -2.077 19.924 10.237 1.00 0.00 N ATOM 1520 CZ ARG A 102 -0.831 19.874 10.694 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -0.229 18.706 10.865 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -0.184 20.997 10.983 1.00 0.00 N ATOM 0 H ARG A 102 -3.241 16.530 9.124 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.068 16.285 8.501 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.180 18.577 9.224 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.158 17.714 10.356 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.865 19.130 8.038 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.456 20.083 9.385 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.146 18.220 10.810 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.242 18.052 9.318 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.511 20.839 10.118 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.723 17.841 10.645 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.728 18.672 11.216 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.644 21.898 10.854 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.773 20.958 11.334 1.00 0.00 H new ATOM 1536 N GLU A 103 -3.950 17.234 6.304 1.00 0.00 N ATOM 1537 CA GLU A 103 -3.768 17.666 4.923 1.00 0.00 C ATOM 1538 C GLU A 103 -4.817 17.034 4.012 1.00 0.00 C ATOM 1539 O GLU A 103 -5.225 15.890 4.217 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.366 17.302 4.432 1.00 0.00 C ATOM 1541 CG GLU A 103 -1.329 18.382 4.694 1.00 0.00 C ATOM 1542 CD GLU A 103 -1.815 19.764 4.301 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -2.230 19.940 3.136 1.00 0.00 O ATOM 1544 OE2 GLU A 103 -1.782 20.671 5.160 1.00 0.00 O ATOM 0 H GLU A 103 -3.120 16.822 6.730 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.887 18.749 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.048 16.380 4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.406 17.101 3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.067 18.380 5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.420 18.149 4.140 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.250 17.787 3.007 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.253 17.303 2.065 1.00 0.00 C ATOM 1553 C LEU A 104 -5.630 17.035 0.699 1.00 0.00 C ATOM 1554 O LEU A 104 -4.486 17.411 0.441 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.388 18.320 1.930 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.515 18.207 2.957 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.559 19.288 2.726 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -9.152 16.826 2.900 1.00 0.00 C ATOM 0 H LEU A 104 -4.922 18.735 2.823 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.657 16.367 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.962 19.321 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.820 18.223 0.934 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.090 18.348 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.353 19.191 3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.094 20.269 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.980 19.180 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.952 16.764 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.562 16.655 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.399 16.069 3.117 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.392 16.386 -0.175 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.916 16.070 -1.518 1.00 0.00 C ATOM 1572 C LEU A 105 -6.402 17.106 -2.526 1.00 0.00 C ATOM 1573 O LEU A 105 -7.372 17.823 -2.278 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.391 14.676 -1.933 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.353 13.602 -0.845 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.787 12.258 -1.407 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.960 13.504 -0.240 1.00 0.00 C ATOM 0 H LEU A 105 -7.341 16.069 0.022 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.826 16.087 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.414 14.757 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.778 14.339 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.050 13.886 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.754 11.506 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.804 12.336 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.115 11.967 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.952 12.735 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.243 13.244 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.686 14.463 0.200 1.00 0.00 H new ATOM 1589 N THR A 106 -5.720 17.180 -3.665 1.00 0.00 N ATOM 1590 CA THR A 106 -6.082 18.128 -4.712 1.00 0.00 C ATOM 1591 C THR A 106 -6.347 17.414 -6.033 1.00 0.00 C ATOM 1592 O THR A 106 -7.410 17.574 -6.632 1.00 0.00 O ATOM 1593 CB THR A 106 -4.978 19.181 -4.923 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.972 18.665 -5.801 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.347 19.576 -3.597 1.00 0.00 C ATOM 0 H THR A 106 -4.914 16.595 -3.886 1.00 0.00 H new ATOM 0 HA THR A 106 -6.993 18.628 -4.384 1.00 0.00 H new ATOM 0 HB THR A 106 -5.431 20.066 -5.370 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.274 19.341 -5.932 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.570 20.321 -3.771 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.110 19.995 -2.941 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.907 18.696 -3.127 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.376 16.625 -6.479 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.505 15.887 -7.729 1.00 0.00 C ATOM 1605 C GLN A 107 -4.692 14.596 -7.687 1.00 0.00 C ATOM 1606 O GLN A 107 -3.690 14.488 -6.979 1.00 0.00 O ATOM 1607 CB GLN A 107 -5.050 16.751 -8.906 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.626 17.264 -8.769 1.00 0.00 C ATOM 1609 CD GLN A 107 -3.290 18.337 -9.787 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -3.167 18.060 -10.980 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -3.144 19.571 -9.320 1.00 0.00 N ATOM 0 H GLN A 107 -4.491 16.480 -5.993 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.556 15.629 -7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.131 16.170 -9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.726 17.601 -9.005 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.483 17.664 -7.765 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.932 16.431 -8.882 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -3.255 19.755 -8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.921 20.335 -9.958 1.00 0.00 H new ATOM 1620 N PRO A 108 -5.133 13.594 -8.461 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.460 12.293 -8.529 1.00 0.00 C ATOM 1622 C PRO A 108 -3.111 12.374 -9.233 1.00 0.00 C ATOM 1623 O PRO A 108 -2.940 13.138 -10.184 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.435 11.433 -9.338 1.00 0.00 C ATOM 1625 CG PRO A 108 -6.205 12.405 -10.162 1.00 0.00 C ATOM 1626 CD PRO A 108 -6.320 13.652 -9.330 1.00 0.00 C ATOM 0 HA PRO A 108 -4.239 11.896 -7.538 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.904 10.716 -9.965 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -6.093 10.860 -8.685 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.695 12.609 -11.103 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -7.190 12.011 -10.412 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.321 14.549 -9.949 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.243 13.664 -8.750 1.00 0.00 H new ATOM 1634 N CYS A 109 -2.154 11.582 -8.760 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.818 11.565 -9.345 1.00 0.00 C ATOM 1636 C CYS A 109 -0.821 10.842 -10.688 1.00 0.00 C ATOM 1637 O CYS A 109 -1.750 10.096 -11.001 1.00 0.00 O ATOM 1638 CB CYS A 109 0.170 10.891 -8.391 1.00 0.00 C ATOM 1639 SG CYS A 109 1.860 10.792 -9.028 1.00 0.00 S ATOM 0 H CYS A 109 -2.279 10.944 -7.974 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.507 12.597 -9.510 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.180 11.439 -7.449 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -0.184 9.884 -8.171 1.00 0.00 H new ATOM 0 HG CYS A 109 2.637 11.553 -8.316 1.00 0.00 H new ATOM 1645 N ARG A 110 0.223 11.067 -11.478 1.00 0.00 N ATOM 1646 CA ARG A 110 0.339 10.440 -12.789 1.00 0.00 C ATOM 1647 C ARG A 110 1.604 9.590 -12.874 1.00 0.00 C ATOM 1648 O ARG A 110 2.676 10.011 -12.441 1.00 0.00 O ATOM 1649 CB ARG A 110 0.351 11.504 -13.888 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.512 12.714 -13.574 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.977 12.451 -13.887 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.679 13.667 -14.284 1.00 0.00 N ATOM 1653 CZ ARG A 110 -3.770 13.673 -15.042 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -4.279 12.531 -15.484 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -4.352 14.821 -15.362 1.00 0.00 N ATOM 0 H ARG A 110 1.001 11.679 -11.233 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.525 9.791 -12.932 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.377 11.833 -14.052 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.007 11.055 -14.820 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.405 12.975 -12.521 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.164 13.570 -14.152 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.050 11.713 -14.686 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.463 12.021 -13.011 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.312 14.562 -13.962 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.833 11.646 -15.242 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.117 12.537 -16.066 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.962 15.702 -15.026 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.190 14.823 -15.944 1.00 0.00 H new ATOM 1669 N GLN A 111 1.469 8.392 -13.436 1.00 0.00 N ATOM 1670 CA GLN A 111 2.601 7.484 -13.577 1.00 0.00 C ATOM 1671 C GLN A 111 3.785 8.187 -14.232 1.00 0.00 C ATOM 1672 O GLN A 111 3.610 9.119 -15.018 1.00 0.00 O ATOM 1673 CB GLN A 111 2.200 6.259 -14.400 1.00 0.00 C ATOM 1674 CG GLN A 111 1.476 5.194 -13.592 1.00 0.00 C ATOM 1675 CD GLN A 111 0.533 4.360 -14.437 1.00 0.00 C ATOM 1676 OE1 GLN A 111 0.830 3.212 -14.770 1.00 0.00 O ATOM 1677 NE2 GLN A 111 -0.611 4.935 -14.791 1.00 0.00 N ATOM 0 H GLN A 111 0.588 8.029 -13.800 1.00 0.00 H new ATOM 0 HA GLN A 111 2.901 7.160 -12.580 1.00 0.00 H new ATOM 0 HB2 GLN A 111 1.559 6.578 -15.222 1.00 0.00 H new ATOM 0 HB3 GLN A 111 3.094 5.821 -14.844 1.00 0.00 H new ATOM 0 HG2 GLN A 111 2.210 4.540 -13.120 1.00 0.00 H new ATOM 0 HG3 GLN A 111 0.913 5.672 -12.790 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.816 5.889 -14.493 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -1.284 4.423 -15.361 1.00 0.00 H new ATOM 1686 N LYS A 112 4.991 7.734 -13.907 1.00 0.00 N ATOM 1687 CA LYS A 112 6.204 8.318 -14.465 1.00 0.00 C ATOM 1688 C LYS A 112 6.037 8.602 -15.954 1.00 0.00 C ATOM 1689 O LYS A 112 6.243 7.723 -16.790 1.00 0.00 O ATOM 1690 CB LYS A 112 7.394 7.380 -14.245 1.00 0.00 C ATOM 1691 CG LYS A 112 7.914 7.381 -12.818 1.00 0.00 C ATOM 1692 CD LYS A 112 7.198 6.349 -11.962 1.00 0.00 C ATOM 1693 CE LYS A 112 7.921 6.120 -10.644 1.00 0.00 C ATOM 1694 NZ LYS A 112 9.180 5.345 -10.829 1.00 0.00 N ATOM 0 H LYS A 112 5.154 6.963 -13.259 1.00 0.00 H new ATOM 0 HA LYS A 112 6.392 9.261 -13.952 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.101 6.366 -14.515 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.202 7.668 -14.917 1.00 0.00 H new ATOM 0 HG2 LYS A 112 8.984 7.174 -12.820 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.782 8.371 -12.382 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.179 6.681 -11.766 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.127 5.408 -12.508 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.150 7.081 -10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.264 5.587 -9.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.527 5.021 -9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.995 4.522 -11.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.898 5.951 -11.275 1.00 0.00 H new