USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 816 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 104 ASN : amide:sc= 0.931 K(o=2,f=-1.6!) USER MOD Set 1.2: A 106 THR OG1 : rot -54:sc= 1.08 USER MOD Set 2.1: A 83 MET CE :methyl -155:sc= -0.338 (180deg=-1.74) USER MOD Set 2.2: A 111 SER OG : rot 69:sc= 1.3 USER MOD Set 3.1: A 43 LYS NZ :NH3+ -137:sc= 0.338 (180deg=0) USER MOD Set 3.2: A 72 GLN : amide:sc= 0.286 K(o=0.62,f=-2.2) USER MOD Single : A 17 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.57) USER MOD Single : A 18 LYS NZ :NH3+ -156:sc= 0.507 (180deg=0.239) USER MOD Single : A 24 THR OG1 : rot 102:sc= 1.23 USER MOD Single : A 30 THR OG1 : rot -140:sc= 0.074 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -2.55 F(o=-4.5!,f=-2.6) USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00448) USER MOD Single : A 46 THR OG1 : rot -74:sc= 1.21 USER MOD Single : A 49 CYS SG : rot 170:sc= -0.715 USER MOD Single : A 50 THR OG1 : rot 25:sc= 0.723 USER MOD Single : A 52 MET CE :methyl -117:sc= -0.605 (180deg=-3.4!) USER MOD Single : A 53 ASN :FLIP amide:sc= 0.595 F(o=-1,f=0.59) USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= -1.82! (180deg=-3.7!) USER MOD Single : A 56 GLN : amide:sc=-0.00347 X(o=-0.0035,f=0) USER MOD Single : A 59 SER OG : rot -76:sc= 0.754 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.817 X(o=-0.82,f=-0.43) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -176:sc= 0 (180deg=-0.017) USER MOD Single : A 68 GLN : amide:sc= -0.266 K(o=-0.27,f=-0.82) USER MOD Single : A 69 ASN : amide:sc= -0.193 K(o=-0.19,f=-6.1!) USER MOD Single : A 71 HIS : no HD1:sc= -0.539 K(o=-0.54,f=-2) USER MOD Single : A 75 ASN : amide:sc= -2.13! C(o=-2.1!,f=-6.5!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0864 K(o=-0.086,f=-1.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 30:sc= 0 USER MOD Single : A 88 MET CE :methyl -177:sc= -2.33 (180deg=-2.36) USER MOD Single : A 89 ASN : amide:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 97 ASN :FLIP amide:sc= 0.0754 F(o=-1.9!,f=0.075) USER MOD Single : A 102 SER OG : rot -3:sc= 0.384 USER MOD Single : A 105 MET CE :methyl 162:sc= -1.36 (180deg=-2.97!) USER MOD Single : A 107 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.19) USER MOD Single : A 109 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.3!) USER MOD Single : A 118 LYS NZ :NH3+ -119:sc= 0.0292 (180deg=-0.313) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 5.455 -12.019 9.352 1.00 0.00 N ATOM 197 CA ASP A 15 6.573 -12.886 9.000 1.00 0.00 C ATOM 198 C ASP A 15 7.892 -12.123 9.060 1.00 0.00 C ATOM 199 O ASP A 15 8.101 -11.137 8.352 1.00 0.00 O ATOM 200 CB ASP A 15 6.372 -13.471 7.601 1.00 0.00 C ATOM 201 CG ASP A 15 6.922 -14.879 7.479 1.00 0.00 C ATOM 202 OD1 ASP A 15 7.904 -15.196 8.182 1.00 0.00 O ATOM 203 OD2 ASP A 15 6.369 -15.663 6.679 1.00 0.00 O ATOM 0 HA ASP A 15 6.611 -13.700 9.724 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.309 -13.477 7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.860 -12.828 6.868 1.00 0.00 H new ATOM 208 N PRO A 16 8.805 -12.586 9.927 1.00 0.00 N ATOM 209 CA PRO A 16 10.119 -11.960 10.101 1.00 0.00 C ATOM 210 C PRO A 16 11.024 -12.164 8.890 1.00 0.00 C ATOM 211 O PRO A 16 12.108 -11.589 8.811 1.00 0.00 O ATOM 212 CB PRO A 16 10.695 -12.679 11.324 1.00 0.00 C ATOM 213 CG PRO A 16 10.005 -14.000 11.346 1.00 0.00 C ATOM 214 CD PRO A 16 8.625 -13.754 10.804 1.00 0.00 C ATOM 0 HA PRO A 16 10.042 -10.879 10.220 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.775 -12.798 11.241 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.505 -12.118 12.239 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.539 -14.730 10.737 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.961 -14.401 12.359 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.251 -14.616 10.253 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.910 -13.551 11.602 1.00 0.00 H new ATOM 222 N GLN A 17 10.567 -12.984 7.948 1.00 0.00 N ATOM 223 CA GLN A 17 11.337 -13.263 6.741 1.00 0.00 C ATOM 224 C GLN A 17 10.748 -12.530 5.540 1.00 0.00 C ATOM 225 O GLN A 17 11.459 -12.199 4.592 1.00 0.00 O ATOM 226 CB GLN A 17 11.371 -14.768 6.468 1.00 0.00 C ATOM 227 CG GLN A 17 10.074 -15.311 5.890 1.00 0.00 C ATOM 228 CD GLN A 17 10.298 -16.483 4.956 1.00 0.00 C ATOM 229 OE1 GLN A 17 11.303 -17.188 5.055 1.00 0.00 O ATOM 230 NE2 GLN A 17 9.361 -16.697 4.040 1.00 0.00 N ATOM 0 H GLN A 17 9.669 -13.466 7.997 1.00 0.00 H new ATOM 0 HA GLN A 17 12.355 -12.907 6.899 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.186 -14.985 5.777 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.593 -15.293 7.397 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.419 -15.620 6.704 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.559 -14.515 5.352 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.544 -16.088 3.994 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.458 -17.471 3.382 1.00 0.00 H new ATOM 239 N LYS A 18 9.444 -12.280 5.586 1.00 0.00 N ATOM 240 CA LYS A 18 8.758 -11.586 4.503 1.00 0.00 C ATOM 241 C LYS A 18 9.004 -10.082 4.579 1.00 0.00 C ATOM 242 O LYS A 18 9.218 -9.427 3.559 1.00 0.00 O ATOM 243 CB LYS A 18 7.255 -11.870 4.559 1.00 0.00 C ATOM 244 CG LYS A 18 6.915 -13.350 4.538 1.00 0.00 C ATOM 245 CD LYS A 18 7.022 -13.929 3.137 1.00 0.00 C ATOM 246 CE LYS A 18 5.776 -13.631 2.316 1.00 0.00 C ATOM 247 NZ LYS A 18 6.041 -13.729 0.854 1.00 0.00 N ATOM 0 H LYS A 18 8.840 -12.548 6.363 1.00 0.00 H new ATOM 0 HA LYS A 18 9.157 -11.955 3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.843 -11.424 5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.770 -11.382 3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.587 -13.888 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.904 -13.497 4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.897 -13.515 2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.170 -15.007 3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.985 -14.329 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.415 -12.630 2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.347 -13.153 0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.000 -13.382 0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.961 -14.721 0.552 1.00 0.00 H new ATOM 261 N GLU A 19 8.975 -9.543 5.793 1.00 0.00 N ATOM 262 CA GLU A 19 9.197 -8.116 6.000 1.00 0.00 C ATOM 263 C GLU A 19 10.342 -7.610 5.127 1.00 0.00 C ATOM 264 O GLU A 19 10.298 -6.493 4.613 1.00 0.00 O ATOM 265 CB GLU A 19 9.502 -7.833 7.473 1.00 0.00 C ATOM 266 CG GLU A 19 9.430 -6.359 7.836 1.00 0.00 C ATOM 267 CD GLU A 19 10.192 -6.035 9.107 1.00 0.00 C ATOM 268 OE1 GLU A 19 9.782 -6.514 10.185 1.00 0.00 O ATOM 269 OE2 GLU A 19 11.199 -5.300 9.024 1.00 0.00 O ATOM 0 H GLU A 19 8.800 -10.072 6.648 1.00 0.00 H new ATOM 0 HA GLU A 19 8.286 -7.589 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.798 -8.387 8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.498 -8.208 7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.832 -5.766 7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.386 -6.069 7.958 1.00 0.00 H new ATOM 276 N ALA A 20 11.365 -8.442 4.963 1.00 0.00 N ATOM 277 CA ALA A 20 12.521 -8.081 4.151 1.00 0.00 C ATOM 278 C ALA A 20 12.172 -8.087 2.667 1.00 0.00 C ATOM 279 O ALA A 20 12.643 -7.243 1.905 1.00 0.00 O ATOM 280 CB ALA A 20 13.677 -9.031 4.427 1.00 0.00 C ATOM 0 H ALA A 20 11.417 -9.371 5.382 1.00 0.00 H new ATOM 0 HA ALA A 20 12.824 -7.070 4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.533 -8.750 3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.951 -8.975 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.376 -10.050 4.184 1.00 0.00 H new ATOM 286 N GLU A 21 11.342 -9.044 2.261 1.00 0.00 N ATOM 287 CA GLU A 21 10.931 -9.159 0.867 1.00 0.00 C ATOM 288 C GLU A 21 10.219 -7.892 0.403 1.00 0.00 C ATOM 289 O GLU A 21 10.350 -7.479 -0.750 1.00 0.00 O ATOM 290 CB GLU A 21 10.015 -10.371 0.681 1.00 0.00 C ATOM 291 CG GLU A 21 10.665 -11.689 1.059 1.00 0.00 C ATOM 292 CD GLU A 21 10.029 -12.876 0.361 1.00 0.00 C ATOM 293 OE1 GLU A 21 8.825 -12.796 0.038 1.00 0.00 O ATOM 294 OE2 GLU A 21 10.733 -13.883 0.140 1.00 0.00 O ATOM 0 H GLU A 21 10.942 -9.750 2.878 1.00 0.00 H new ATOM 0 HA GLU A 21 11.827 -9.293 0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.117 -10.233 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.696 -10.418 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.725 -11.651 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.596 -11.827 2.138 1.00 0.00 H new ATOM 301 N LEU A 22 9.465 -7.279 1.310 1.00 0.00 N ATOM 302 CA LEU A 22 8.731 -6.059 0.994 1.00 0.00 C ATOM 303 C LEU A 22 9.684 -4.882 0.807 1.00 0.00 C ATOM 304 O LEU A 22 9.835 -4.364 -0.299 1.00 0.00 O ATOM 305 CB LEU A 22 7.726 -5.744 2.103 1.00 0.00 C ATOM 306 CG LEU A 22 6.608 -6.768 2.308 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.813 -6.448 3.564 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.694 -6.809 1.092 1.00 0.00 C ATOM 0 H LEU A 22 9.346 -7.607 2.269 1.00 0.00 H new ATOM 0 HA LEU A 22 8.194 -6.220 0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.271 -5.639 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.271 -4.777 1.889 1.00 0.00 H new ATOM 0 HG LEU A 22 7.061 -7.752 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.023 -7.187 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.475 -6.471 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.370 -5.456 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.904 -7.543 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.250 -5.826 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.272 -7.088 0.211 1.00 0.00 H new ATOM 320 N ARG A 23 10.325 -4.468 1.895 1.00 0.00 N ATOM 321 CA ARG A 23 11.264 -3.354 1.851 1.00 0.00 C ATOM 322 C ARG A 23 12.223 -3.498 0.672 1.00 0.00 C ATOM 323 O ARG A 23 12.620 -2.509 0.056 1.00 0.00 O ATOM 324 CB ARG A 23 12.054 -3.273 3.158 1.00 0.00 C ATOM 325 CG ARG A 23 12.872 -4.520 3.455 1.00 0.00 C ATOM 326 CD ARG A 23 14.111 -4.192 4.271 1.00 0.00 C ATOM 327 NE ARG A 23 15.232 -3.788 3.426 1.00 0.00 N ATOM 328 CZ ARG A 23 16.489 -3.731 3.851 1.00 0.00 C ATOM 329 NH1 ARG A 23 16.785 -4.050 5.103 1.00 0.00 N ATOM 330 NH2 ARG A 23 17.454 -3.354 3.022 1.00 0.00 N ATOM 0 H ARG A 23 10.211 -4.887 2.818 1.00 0.00 H new ATOM 0 HA ARG A 23 10.693 -2.435 1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.722 -2.412 3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.361 -3.099 3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.258 -5.239 3.997 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.167 -4.995 2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.880 -3.392 4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.397 -5.063 4.861 1.00 0.00 H new ATOM 0 HE ARG A 23 15.039 -3.536 2.457 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.046 -4.340 5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.752 -4.005 5.426 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.231 -3.108 2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.419 -3.310 3.349 1.00 0.00 H new ATOM 344 N THR A 24 12.593 -4.738 0.365 1.00 0.00 N ATOM 345 CA THR A 24 13.506 -5.011 -0.737 1.00 0.00 C ATOM 346 C THR A 24 12.814 -4.828 -2.083 1.00 0.00 C ATOM 347 O THR A 24 13.457 -4.514 -3.084 1.00 0.00 O ATOM 348 CB THR A 24 14.073 -6.441 -0.655 1.00 0.00 C ATOM 349 OG1 THR A 24 14.818 -6.604 0.557 1.00 0.00 O ATOM 350 CG2 THR A 24 14.968 -6.738 -1.849 1.00 0.00 C ATOM 0 H THR A 24 12.274 -5.568 0.864 1.00 0.00 H new ATOM 0 HA THR A 24 14.325 -4.297 -0.653 1.00 0.00 H new ATOM 0 HB THR A 24 13.237 -7.140 -0.664 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.278 -7.097 1.209 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.357 -7.753 -1.769 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.391 -6.642 -2.769 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.798 -6.032 -1.866 1.00 0.00 H new ATOM 358 N TRP A 25 11.501 -5.026 -2.099 1.00 0.00 N ATOM 359 CA TRP A 25 10.722 -4.882 -3.323 1.00 0.00 C ATOM 360 C TRP A 25 10.249 -3.443 -3.502 1.00 0.00 C ATOM 361 O TRP A 25 10.012 -2.993 -4.623 1.00 0.00 O ATOM 362 CB TRP A 25 9.520 -5.827 -3.302 1.00 0.00 C ATOM 363 CG TRP A 25 8.398 -5.383 -4.192 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.362 -5.443 -5.556 1.00 0.00 C ATOM 365 CD2 TRP A 25 7.153 -4.810 -3.780 1.00 0.00 C ATOM 366 NE1 TRP A 25 7.169 -4.941 -6.016 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.409 -4.548 -4.946 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.593 -4.495 -2.538 1.00 0.00 C ATOM 369 CZ2 TRP A 25 5.137 -3.984 -4.906 1.00 0.00 C ATOM 370 CZ3 TRP A 25 5.330 -3.936 -2.501 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.613 -3.686 -3.678 1.00 0.00 C ATOM 0 H TRP A 25 10.954 -5.287 -1.279 1.00 0.00 H new ATOM 0 HA TRP A 25 11.365 -5.141 -4.164 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.844 -6.822 -3.607 1.00 0.00 H new ATOM 0 HB3 TRP A 25 9.151 -5.911 -2.280 1.00 0.00 H new ATOM 0 HD1 TRP A 25 9.154 -5.828 -6.181 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.894 -4.872 -6.996 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.137 -4.685 -1.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.583 -3.789 -5.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.888 -3.687 -1.548 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.627 -3.249 -3.615 1.00 0.00 H new ATOM 382 N ILE A 26 10.115 -2.727 -2.390 1.00 0.00 N ATOM 383 CA ILE A 26 9.672 -1.339 -2.426 1.00 0.00 C ATOM 384 C ILE A 26 10.847 -0.392 -2.641 1.00 0.00 C ATOM 385 O ILE A 26 10.847 0.410 -3.574 1.00 0.00 O ATOM 386 CB ILE A 26 8.944 -0.947 -1.125 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.829 -1.950 -0.818 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.380 0.461 -1.238 1.00 0.00 C ATOM 389 CD1 ILE A 26 7.179 -1.735 0.531 1.00 0.00 C ATOM 0 H ILE A 26 10.307 -3.085 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 26 8.979 -1.251 -3.263 1.00 0.00 H new ATOM 0 HB ILE A 26 9.661 -0.966 -0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.067 -1.883 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.238 -2.960 -0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.869 0.724 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.193 1.165 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.674 0.505 -2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.399 -2.481 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.929 -1.831 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.740 -0.738 0.569 1.00 0.00 H new ATOM 401 N GLU A 27 11.850 -0.494 -1.774 1.00 0.00 N ATOM 402 CA GLU A 27 13.032 0.354 -1.870 1.00 0.00 C ATOM 403 C GLU A 27 13.550 0.403 -3.306 1.00 0.00 C ATOM 404 O GLU A 27 14.137 1.396 -3.732 1.00 0.00 O ATOM 405 CB GLU A 27 14.131 -0.158 -0.939 1.00 0.00 C ATOM 406 CG GLU A 27 13.936 0.248 0.513 1.00 0.00 C ATOM 407 CD GLU A 27 15.232 0.237 1.302 1.00 0.00 C ATOM 408 OE1 GLU A 27 15.780 -0.863 1.526 1.00 0.00 O ATOM 409 OE2 GLU A 27 15.698 1.328 1.693 1.00 0.00 O ATOM 0 H GLU A 27 11.867 -1.155 -0.998 1.00 0.00 H new ATOM 0 HA GLU A 27 12.750 1.363 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.171 -1.245 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.094 0.217 -1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.500 1.246 0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.223 -0.430 0.983 1.00 0.00 H new ATOM 416 N GLY A 28 13.327 -0.678 -4.046 1.00 0.00 N ATOM 417 CA GLY A 28 13.777 -0.739 -5.425 1.00 0.00 C ATOM 418 C GLY A 28 12.799 -0.090 -6.384 1.00 0.00 C ATOM 419 O GLY A 28 13.203 0.541 -7.362 1.00 0.00 O ATOM 0 H GLY A 28 12.843 -1.513 -3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.745 -0.246 -5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.924 -1.781 -5.710 1.00 0.00 H new ATOM 423 N LEU A 29 11.510 -0.245 -6.105 1.00 0.00 N ATOM 424 CA LEU A 29 10.470 0.330 -6.951 1.00 0.00 C ATOM 425 C LEU A 29 10.561 1.852 -6.969 1.00 0.00 C ATOM 426 O LEU A 29 10.819 2.458 -8.009 1.00 0.00 O ATOM 427 CB LEU A 29 9.088 -0.104 -6.460 1.00 0.00 C ATOM 428 CG LEU A 29 8.517 -1.372 -7.095 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.504 -2.024 -6.167 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.883 -1.057 -8.442 1.00 0.00 C ATOM 0 H LEU A 29 11.160 -0.764 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 29 10.620 -0.036 -7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.138 -0.253 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.389 0.713 -6.637 1.00 0.00 H new ATOM 0 HG LEU A 29 9.336 -2.073 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.108 -2.925 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.988 -2.287 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.688 -1.328 -5.972 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.482 -1.972 -8.878 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.076 -0.337 -8.305 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.636 -0.636 -9.109 1.00 0.00 H new ATOM 442 N THR A 30 10.351 2.466 -5.809 1.00 0.00 N ATOM 443 CA THR A 30 10.411 3.918 -5.689 1.00 0.00 C ATOM 444 C THR A 30 11.854 4.409 -5.678 1.00 0.00 C ATOM 445 O THR A 30 12.138 5.540 -6.070 1.00 0.00 O ATOM 446 CB THR A 30 9.705 4.406 -4.411 1.00 0.00 C ATOM 447 OG1 THR A 30 10.487 4.071 -3.260 1.00 0.00 O ATOM 448 CG2 THR A 30 8.321 3.786 -4.287 1.00 0.00 C ATOM 0 H THR A 30 10.138 1.980 -4.938 1.00 0.00 H new ATOM 0 HA THR A 30 9.897 4.328 -6.558 1.00 0.00 H new ATOM 0 HB THR A 30 9.597 5.489 -4.474 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.895 3.776 -2.537 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.842 4.146 -3.377 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.718 4.067 -5.150 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.411 2.701 -4.245 1.00 0.00 H new ATOM 456 N GLY A 31 12.763 3.551 -5.227 1.00 0.00 N ATOM 457 CA GLY A 31 14.167 3.917 -5.174 1.00 0.00 C ATOM 458 C GLY A 31 14.498 4.770 -3.966 1.00 0.00 C ATOM 459 O GLY A 31 15.555 5.403 -3.914 1.00 0.00 O ATOM 0 H GLY A 31 12.553 2.609 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.775 3.012 -5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.433 4.459 -6.082 1.00 0.00 H new ATOM 463 N LEU A 32 13.595 4.792 -2.992 1.00 0.00 N ATOM 464 CA LEU A 32 13.795 5.577 -1.780 1.00 0.00 C ATOM 465 C LEU A 32 14.303 4.698 -0.641 1.00 0.00 C ATOM 466 O LEU A 32 14.528 3.501 -0.819 1.00 0.00 O ATOM 467 CB LEU A 32 12.489 6.259 -1.368 1.00 0.00 C ATOM 468 CG LEU A 32 11.863 7.191 -2.407 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.394 7.429 -2.092 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.619 8.510 -2.464 1.00 0.00 C ATOM 0 H LEU A 32 12.716 4.274 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 32 14.545 6.339 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.762 5.486 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.672 6.832 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 32 11.932 6.714 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.964 8.094 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.861 6.478 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.303 7.885 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.160 9.161 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.582 8.993 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.657 8.323 -2.737 1.00 0.00 H new ATOM 482 N SER A 33 14.481 5.301 0.531 1.00 0.00 N ATOM 483 CA SER A 33 14.964 4.574 1.699 1.00 0.00 C ATOM 484 C SER A 33 13.935 4.611 2.826 1.00 0.00 C ATOM 485 O SER A 33 13.278 5.628 3.047 1.00 0.00 O ATOM 486 CB SER A 33 16.290 5.166 2.182 1.00 0.00 C ATOM 487 OG SER A 33 16.783 4.461 3.308 1.00 0.00 O ATOM 0 H SER A 33 14.298 6.291 0.696 1.00 0.00 H new ATOM 0 HA SER A 33 15.123 3.535 1.410 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.023 5.129 1.376 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.151 6.216 2.439 1.00 0.00 H new ATOM 0 HG SER A 33 17.632 4.857 3.596 1.00 0.00 H new ATOM 493 N ILE A 34 13.804 3.495 3.534 1.00 0.00 N ATOM 494 CA ILE A 34 12.858 3.400 4.639 1.00 0.00 C ATOM 495 C ILE A 34 13.478 3.898 5.939 1.00 0.00 C ATOM 496 O ILE A 34 12.820 4.562 6.739 1.00 0.00 O ATOM 497 CB ILE A 34 12.369 1.953 4.838 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.680 1.444 3.570 1.00 0.00 C ATOM 499 CG2 ILE A 34 11.426 1.871 6.029 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.755 -0.057 3.402 1.00 0.00 C ATOM 0 H ILE A 34 14.340 2.644 3.363 1.00 0.00 H new ATOM 0 HA ILE A 34 12.007 4.031 4.381 1.00 0.00 H new ATOM 0 HB ILE A 34 13.232 1.319 5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.633 1.747 3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 34 12.135 1.922 2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 34 11.089 0.842 6.156 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.948 2.196 6.929 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.564 2.516 5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.246 -0.346 2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.799 -0.366 3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.274 -0.543 4.251 1.00 0.00 H new ATOM 512 N GLY A 35 14.751 3.575 6.144 1.00 0.00 N ATOM 513 CA GLY A 35 15.440 4.001 7.348 1.00 0.00 C ATOM 514 C GLY A 35 15.724 2.848 8.291 1.00 0.00 C ATOM 515 O GLY A 35 15.523 1.681 7.957 1.00 0.00 O ATOM 0 H GLY A 35 15.318 3.026 5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.379 4.483 7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.836 4.748 7.864 1.00 0.00 H new ATOM 519 N PRO A 36 16.204 3.173 9.500 1.00 0.00 N ATOM 520 CA PRO A 36 16.527 2.170 10.520 1.00 0.00 C ATOM 521 C PRO A 36 15.281 1.497 11.087 1.00 0.00 C ATOM 522 O PRO A 36 15.375 0.578 11.900 1.00 0.00 O ATOM 523 CB PRO A 36 17.236 2.983 11.605 1.00 0.00 C ATOM 524 CG PRO A 36 16.718 4.370 11.440 1.00 0.00 C ATOM 525 CD PRO A 36 16.468 4.544 9.967 1.00 0.00 C ATOM 0 HA PRO A 36 17.130 1.357 10.115 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.015 2.594 12.599 1.00 0.00 H new ATOM 0 HB3 PRO A 36 18.318 2.948 11.482 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.801 4.515 12.012 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.439 5.102 11.803 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.620 5.203 9.779 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.330 4.981 9.462 1.00 0.00 H new ATOM 533 N ASP A 37 14.114 1.961 10.651 1.00 0.00 N ATOM 534 CA ASP A 37 12.849 1.402 11.114 1.00 0.00 C ATOM 535 C ASP A 37 11.825 1.367 9.983 1.00 0.00 C ATOM 536 O ASP A 37 11.846 2.209 9.086 1.00 0.00 O ATOM 537 CB ASP A 37 12.304 2.220 12.286 1.00 0.00 C ATOM 538 CG ASP A 37 11.422 1.399 13.205 1.00 0.00 C ATOM 539 OD1 ASP A 37 11.951 0.487 13.875 1.00 0.00 O ATOM 540 OD2 ASP A 37 10.205 1.669 13.256 1.00 0.00 O ATOM 0 H ASP A 37 14.018 2.722 9.978 1.00 0.00 H new ATOM 0 HA ASP A 37 13.032 0.380 11.448 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.137 2.630 12.857 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.735 3.066 11.901 1.00 0.00 H new ATOM 545 N PHE A 38 10.930 0.385 10.034 1.00 0.00 N ATOM 546 CA PHE A 38 9.900 0.237 9.012 1.00 0.00 C ATOM 547 C PHE A 38 8.662 1.058 9.367 1.00 0.00 C ATOM 548 O PHE A 38 8.295 1.987 8.648 1.00 0.00 O ATOM 549 CB PHE A 38 9.519 -1.236 8.850 1.00 0.00 C ATOM 550 CG PHE A 38 8.813 -1.534 7.559 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.432 -1.292 6.343 1.00 0.00 C ATOM 552 CD2 PHE A 38 7.529 -2.055 7.560 1.00 0.00 C ATOM 553 CE1 PHE A 38 8.783 -1.565 5.154 1.00 0.00 C ATOM 554 CE2 PHE A 38 6.876 -2.330 6.374 1.00 0.00 C ATOM 555 CZ PHE A 38 7.505 -2.086 5.169 1.00 0.00 C ATOM 0 H PHE A 38 10.897 -0.319 10.771 1.00 0.00 H new ATOM 0 HA PHE A 38 10.303 0.606 8.069 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.421 -1.845 8.911 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.879 -1.531 9.681 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.432 -0.886 6.324 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.033 -2.248 8.499 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.276 -1.371 4.213 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.875 -2.735 6.389 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.998 -2.302 4.240 1.00 0.00 H new ATOM 565 N GLN A 39 8.025 0.706 10.479 1.00 0.00 N ATOM 566 CA GLN A 39 6.828 1.408 10.928 1.00 0.00 C ATOM 567 C GLN A 39 7.002 2.917 10.798 1.00 0.00 C ATOM 568 O GLN A 39 6.090 3.624 10.370 1.00 0.00 O ATOM 569 CB GLN A 39 6.511 1.042 12.378 1.00 0.00 C ATOM 570 CG GLN A 39 5.171 1.573 12.860 1.00 0.00 C ATOM 571 CD GLN A 39 5.277 2.955 13.476 1.00 0.00 C ATOM 572 OE1 GLN A 39 4.641 3.935 12.845 1.00 0.00 O flip ATOM 573 NE2 GLN A 39 5.925 3.139 14.507 1.00 0.00 N flip ATOM 0 H GLN A 39 8.317 -0.060 11.085 1.00 0.00 H new ATOM 0 HA GLN A 39 5.997 1.101 10.293 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.521 -0.043 12.481 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.300 1.430 13.023 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.475 1.606 12.022 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.754 0.883 13.594 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.398 2.356 14.959 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.989 4.074 14.909 1.00 0.00 H new ATOM 582 N LYS A 40 8.180 3.406 11.170 1.00 0.00 N ATOM 583 CA LYS A 40 8.476 4.833 11.096 1.00 0.00 C ATOM 584 C LYS A 40 8.650 5.277 9.646 1.00 0.00 C ATOM 585 O LYS A 40 7.814 5.997 9.104 1.00 0.00 O ATOM 586 CB LYS A 40 9.740 5.155 11.895 1.00 0.00 C ATOM 587 CG LYS A 40 9.650 4.764 13.360 1.00 0.00 C ATOM 588 CD LYS A 40 11.006 4.839 14.041 1.00 0.00 C ATOM 589 CE LYS A 40 10.865 4.945 15.553 1.00 0.00 C ATOM 590 NZ LYS A 40 10.235 3.729 16.138 1.00 0.00 N ATOM 0 H LYS A 40 8.946 2.835 11.526 1.00 0.00 H new ATOM 0 HA LYS A 40 7.635 5.377 11.526 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.587 4.640 11.442 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.942 6.224 11.825 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.948 5.423 13.871 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.255 3.751 13.444 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.590 3.954 13.790 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.556 5.701 13.664 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.848 5.095 16.000 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.265 5.820 15.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.188 3.826 17.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.274 3.618 15.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.803 2.892 15.894 1.00 0.00 H new ATOM 604 N GLY A 41 9.743 4.840 9.026 1.00 0.00 N ATOM 605 CA GLY A 41 10.006 5.202 7.646 1.00 0.00 C ATOM 606 C GLY A 41 8.736 5.318 6.824 1.00 0.00 C ATOM 607 O GLY A 41 8.615 6.204 5.978 1.00 0.00 O ATOM 0 H GLY A 41 10.450 4.243 9.455 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.541 6.151 7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.659 4.455 7.196 1.00 0.00 H new ATOM 611 N LEU A 42 7.788 4.422 7.074 1.00 0.00 N ATOM 612 CA LEU A 42 6.522 4.426 6.350 1.00 0.00 C ATOM 613 C LEU A 42 5.492 5.298 7.061 1.00 0.00 C ATOM 614 O LEU A 42 4.665 5.949 6.421 1.00 0.00 O ATOM 615 CB LEU A 42 5.989 3.000 6.207 1.00 0.00 C ATOM 616 CG LEU A 42 6.996 1.950 5.735 1.00 0.00 C ATOM 617 CD1 LEU A 42 6.325 0.593 5.592 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.631 2.375 4.419 1.00 0.00 C ATOM 0 H LEU A 42 7.872 3.683 7.773 1.00 0.00 H new ATOM 0 HA LEU A 42 6.700 4.841 5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.590 2.684 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.154 3.014 5.506 1.00 0.00 H new ATOM 0 HG LEU A 42 7.783 1.865 6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.057 -0.141 5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.919 0.285 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.518 0.661 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.345 1.616 4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.856 2.488 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.148 3.325 4.554 1.00 0.00 H new ATOM 630 N LYS A 43 5.547 5.308 8.388 1.00 0.00 N ATOM 631 CA LYS A 43 4.622 6.102 9.187 1.00 0.00 C ATOM 632 C LYS A 43 4.375 7.462 8.542 1.00 0.00 C ATOM 633 O LYS A 43 3.260 7.764 8.117 1.00 0.00 O ATOM 634 CB LYS A 43 5.171 6.289 10.604 1.00 0.00 C ATOM 635 CG LYS A 43 4.511 7.426 11.366 1.00 0.00 C ATOM 636 CD LYS A 43 5.152 7.628 12.729 1.00 0.00 C ATOM 637 CE LYS A 43 4.830 9.002 13.297 1.00 0.00 C ATOM 638 NZ LYS A 43 5.837 10.021 12.891 1.00 0.00 N ATOM 0 H LYS A 43 6.224 4.774 8.934 1.00 0.00 H new ATOM 0 HA LYS A 43 3.674 5.567 9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.037 5.362 11.162 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.244 6.475 10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.587 8.346 10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.449 7.214 11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.801 6.858 13.415 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.233 7.512 12.645 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.842 9.313 12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.790 8.945 14.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.075 10.619 13.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.696 9.544 12.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.445 10.613 12.131 1.00 0.00 H new ATOM 652 N ASP A 44 5.422 8.277 8.473 1.00 0.00 N ATOM 653 CA ASP A 44 5.318 9.604 7.878 1.00 0.00 C ATOM 654 C ASP A 44 4.463 9.569 6.615 1.00 0.00 C ATOM 655 O ASP A 44 3.772 10.534 6.292 1.00 0.00 O ATOM 656 CB ASP A 44 6.709 10.149 7.549 1.00 0.00 C ATOM 657 CG ASP A 44 7.661 9.064 7.084 1.00 0.00 C ATOM 658 OD1 ASP A 44 7.529 8.614 5.927 1.00 0.00 O ATOM 659 OD2 ASP A 44 8.539 8.666 7.878 1.00 0.00 O ATOM 0 H ASP A 44 6.351 8.042 8.821 1.00 0.00 H new ATOM 0 HA ASP A 44 4.838 10.262 8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.624 10.910 6.774 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.123 10.638 8.431 1.00 0.00 H new ATOM 664 N GLY A 45 4.513 8.446 5.903 1.00 0.00 N ATOM 665 CA GLY A 45 3.738 8.306 4.684 1.00 0.00 C ATOM 666 C GLY A 45 4.348 9.059 3.519 1.00 0.00 C ATOM 667 O GLY A 45 3.644 9.735 2.768 1.00 0.00 O ATOM 0 H GLY A 45 5.076 7.632 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.658 7.250 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.725 8.670 4.857 1.00 0.00 H new ATOM 671 N THR A 46 5.664 8.945 3.367 1.00 0.00 N ATOM 672 CA THR A 46 6.371 9.623 2.287 1.00 0.00 C ATOM 673 C THR A 46 6.709 8.656 1.159 1.00 0.00 C ATOM 674 O THR A 46 6.770 9.045 -0.007 1.00 0.00 O ATOM 675 CB THR A 46 7.669 10.281 2.792 1.00 0.00 C ATOM 676 OG1 THR A 46 8.353 9.394 3.685 1.00 0.00 O ATOM 677 CG2 THR A 46 7.372 11.593 3.501 1.00 0.00 C ATOM 0 H THR A 46 6.262 8.389 3.979 1.00 0.00 H new ATOM 0 HA THR A 46 5.704 10.397 1.909 1.00 0.00 H new ATOM 0 HB THR A 46 8.303 10.489 1.930 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.883 9.369 4.545 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.304 12.038 3.848 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.879 12.277 2.810 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.719 11.406 4.354 1.00 0.00 H new ATOM 685 N ILE A 47 6.929 7.394 1.513 1.00 0.00 N ATOM 686 CA ILE A 47 7.259 6.370 0.529 1.00 0.00 C ATOM 687 C ILE A 47 6.017 5.596 0.104 1.00 0.00 C ATOM 688 O ILE A 47 5.704 5.506 -1.084 1.00 0.00 O ATOM 689 CB ILE A 47 8.306 5.382 1.075 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.533 6.136 1.591 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.704 4.384 -0.002 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.342 5.356 2.603 1.00 0.00 C ATOM 0 H ILE A 47 6.885 7.056 2.474 1.00 0.00 H new ATOM 0 HA ILE A 47 7.676 6.886 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 47 7.866 4.833 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.173 6.392 0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.209 7.074 2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.445 3.692 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.824 3.827 -0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.128 4.917 -0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.196 5.953 2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.718 5.122 3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.696 4.430 2.150 1.00 0.00 H new ATOM 704 N LEU A 48 5.310 5.039 1.081 1.00 0.00 N ATOM 705 CA LEU A 48 4.099 4.271 0.809 1.00 0.00 C ATOM 706 C LEU A 48 3.331 4.867 -0.366 1.00 0.00 C ATOM 707 O LEU A 48 2.704 4.144 -1.141 1.00 0.00 O ATOM 708 CB LEU A 48 3.207 4.233 2.051 1.00 0.00 C ATOM 709 CG LEU A 48 3.625 3.252 3.147 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.575 3.202 4.246 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.856 1.866 2.564 1.00 0.00 C ATOM 0 H LEU A 48 5.554 5.105 2.069 1.00 0.00 H new ATOM 0 HA LEU A 48 4.392 3.254 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.174 5.234 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.192 3.986 1.738 1.00 0.00 H new ATOM 0 HG LEU A 48 4.561 3.601 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.889 2.499 5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.459 4.193 4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.623 2.878 3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.153 1.182 3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.936 1.508 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.645 1.914 1.813 1.00 0.00 H new ATOM 723 N CYS A 49 3.384 6.188 -0.492 1.00 0.00 N ATOM 724 CA CYS A 49 2.694 6.881 -1.574 1.00 0.00 C ATOM 725 C CYS A 49 3.340 6.570 -2.920 1.00 0.00 C ATOM 726 O CYS A 49 2.693 6.043 -3.826 1.00 0.00 O ATOM 727 CB CYS A 49 2.702 8.391 -1.328 1.00 0.00 C ATOM 728 SG CYS A 49 1.425 8.958 -0.181 1.00 0.00 S ATOM 0 H CYS A 49 3.897 6.801 0.141 1.00 0.00 H new ATOM 0 HA CYS A 49 1.663 6.529 -1.597 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.679 8.680 -0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.573 8.904 -2.281 1.00 0.00 H new ATOM 0 HG CYS A 49 1.642 10.202 0.129 1.00 0.00 H new ATOM 734 N THR A 50 4.622 6.900 -3.046 1.00 0.00 N ATOM 735 CA THR A 50 5.356 6.659 -4.281 1.00 0.00 C ATOM 736 C THR A 50 5.226 5.206 -4.723 1.00 0.00 C ATOM 737 O THR A 50 4.903 4.923 -5.877 1.00 0.00 O ATOM 738 CB THR A 50 6.849 7.004 -4.124 1.00 0.00 C ATOM 739 OG1 THR A 50 7.307 6.621 -2.822 1.00 0.00 O ATOM 740 CG2 THR A 50 7.084 8.492 -4.333 1.00 0.00 C ATOM 0 H THR A 50 5.173 7.335 -2.306 1.00 0.00 H new ATOM 0 HA THR A 50 4.919 7.308 -5.040 1.00 0.00 H new ATOM 0 HB THR A 50 7.408 6.454 -4.881 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.741 5.900 -2.475 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.145 8.713 -4.217 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.762 8.774 -5.335 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.514 9.057 -3.596 1.00 0.00 H new ATOM 748 N LEU A 51 5.480 4.286 -3.798 1.00 0.00 N ATOM 749 CA LEU A 51 5.390 2.860 -4.091 1.00 0.00 C ATOM 750 C LEU A 51 4.174 2.558 -4.961 1.00 0.00 C ATOM 751 O LEU A 51 4.279 1.868 -5.975 1.00 0.00 O ATOM 752 CB LEU A 51 5.315 2.055 -2.792 1.00 0.00 C ATOM 753 CG LEU A 51 4.835 0.609 -2.926 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.843 -0.217 -3.710 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.594 -0.002 -1.552 1.00 0.00 C ATOM 0 H LEU A 51 5.750 4.503 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 51 6.287 2.570 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.304 2.048 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.650 2.575 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 51 3.892 0.608 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.485 -1.243 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.966 0.208 -4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.802 -0.209 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.253 -1.031 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.522 0.011 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.835 0.576 -1.025 1.00 0.00 H new ATOM 767 N MET A 52 3.021 3.082 -4.559 1.00 0.00 N ATOM 768 CA MET A 52 1.785 2.872 -5.304 1.00 0.00 C ATOM 769 C MET A 52 1.866 3.515 -6.684 1.00 0.00 C ATOM 770 O MET A 52 1.634 2.860 -7.700 1.00 0.00 O ATOM 771 CB MET A 52 0.595 3.443 -4.531 1.00 0.00 C ATOM 772 CG MET A 52 -0.721 2.747 -4.839 1.00 0.00 C ATOM 773 SD MET A 52 -0.829 2.192 -6.551 1.00 0.00 S ATOM 774 CE MET A 52 -1.870 0.745 -6.373 1.00 0.00 C ATOM 0 H MET A 52 2.917 3.655 -3.722 1.00 0.00 H new ATOM 0 HA MET A 52 1.645 1.799 -5.431 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.796 3.366 -3.462 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.498 4.504 -4.761 1.00 0.00 H new ATOM 0 HG2 MET A 52 -0.839 1.890 -4.175 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.546 3.428 -4.629 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.314 -0.143 -6.675 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.177 0.644 -5.332 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.753 0.852 -7.003 1.00 0.00 H new ATOM 784 N ASN A 53 2.198 4.802 -6.714 1.00 0.00 N ATOM 785 CA ASN A 53 2.308 5.534 -7.971 1.00 0.00 C ATOM 786 C ASN A 53 3.053 4.709 -9.017 1.00 0.00 C ATOM 787 O ASN A 53 2.675 4.683 -10.188 1.00 0.00 O ATOM 788 CB ASN A 53 3.028 6.866 -7.748 1.00 0.00 C ATOM 789 CG ASN A 53 2.069 7.995 -7.426 1.00 0.00 C ATOM 790 OD1 ASN A 53 2.346 8.718 -6.348 1.00 0.00 O flip ATOM 791 ND2 ASN A 53 1.089 8.214 -8.139 1.00 0.00 N flip ATOM 0 H ASN A 53 2.395 5.359 -5.883 1.00 0.00 H new ATOM 0 HA ASN A 53 1.301 5.730 -8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.743 6.757 -6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.599 7.121 -8.641 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.915 7.633 -8.959 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.452 8.977 -7.910 1.00 0.00 H new ATOM 798 N LYS A 54 4.116 4.038 -8.585 1.00 0.00 N ATOM 799 CA LYS A 54 4.914 3.210 -9.482 1.00 0.00 C ATOM 800 C LYS A 54 4.080 2.070 -10.057 1.00 0.00 C ATOM 801 O LYS A 54 4.282 1.652 -11.198 1.00 0.00 O ATOM 802 CB LYS A 54 6.129 2.646 -8.742 1.00 0.00 C ATOM 803 CG LYS A 54 6.959 3.706 -8.040 1.00 0.00 C ATOM 804 CD LYS A 54 7.738 4.553 -9.033 1.00 0.00 C ATOM 805 CE LYS A 54 7.909 5.980 -8.535 1.00 0.00 C ATOM 806 NZ LYS A 54 9.161 6.147 -7.747 1.00 0.00 N ATOM 0 H LYS A 54 4.445 4.051 -7.619 1.00 0.00 H new ATOM 0 HA LYS A 54 5.257 3.836 -10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.790 1.916 -8.007 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.761 2.113 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.306 4.347 -7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.651 3.228 -7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.717 4.106 -9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.219 4.561 -9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.921 6.662 -9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.053 6.254 -7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.475 7.137 -7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.983 5.892 -6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.901 5.528 -8.136 1.00 0.00 H new ATOM 820 N LEU A 55 3.141 1.570 -9.260 1.00 0.00 N ATOM 821 CA LEU A 55 2.275 0.477 -9.690 1.00 0.00 C ATOM 822 C LEU A 55 1.121 1.000 -10.539 1.00 0.00 C ATOM 823 O LEU A 55 0.853 0.484 -11.624 1.00 0.00 O ATOM 824 CB LEU A 55 1.731 -0.276 -8.476 1.00 0.00 C ATOM 825 CG LEU A 55 2.767 -0.721 -7.442 1.00 0.00 C ATOM 826 CD1 LEU A 55 2.090 -1.440 -6.284 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.815 -1.616 -8.087 1.00 0.00 C ATOM 0 H LEU A 55 2.960 1.904 -8.313 1.00 0.00 H new ATOM 0 HA LEU A 55 2.868 -0.207 -10.297 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.999 0.360 -7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.198 -1.159 -8.830 1.00 0.00 H new ATOM 0 HG LEU A 55 3.266 0.166 -7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.842 -1.749 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.378 -0.768 -5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.564 -2.318 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.543 -1.923 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.332 -2.499 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.322 -1.069 -8.882 1.00 0.00 H new ATOM 839 N GLN A 56 0.442 2.027 -10.036 1.00 0.00 N ATOM 840 CA GLN A 56 -0.683 2.620 -10.751 1.00 0.00 C ATOM 841 C GLN A 56 -0.490 4.124 -10.916 1.00 0.00 C ATOM 842 O GLN A 56 -0.411 4.875 -9.943 1.00 0.00 O ATOM 843 CB GLN A 56 -1.990 2.339 -10.007 1.00 0.00 C ATOM 844 CG GLN A 56 -3.110 3.303 -10.363 1.00 0.00 C ATOM 845 CD GLN A 56 -4.478 2.778 -9.971 1.00 0.00 C ATOM 846 OE1 GLN A 56 -5.236 2.297 -10.815 1.00 0.00 O ATOM 847 NE2 GLN A 56 -4.801 2.866 -8.687 1.00 0.00 N ATOM 0 H GLN A 56 0.651 2.465 -9.139 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.732 2.168 -11.742 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.313 1.322 -10.228 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.806 2.389 -8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.935 4.257 -9.866 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.092 3.495 -11.436 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.142 3.272 -8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.708 2.528 -8.365 1.00 0.00 H new ATOM 856 N PRO A 57 -0.414 4.576 -12.176 1.00 0.00 N ATOM 857 CA PRO A 57 -0.230 5.994 -12.498 1.00 0.00 C ATOM 858 C PRO A 57 -1.464 6.828 -12.171 1.00 0.00 C ATOM 859 O PRO A 57 -2.268 7.137 -13.050 1.00 0.00 O ATOM 860 CB PRO A 57 0.024 5.985 -14.008 1.00 0.00 C ATOM 861 CG PRO A 57 -0.636 4.741 -14.495 1.00 0.00 C ATOM 862 CD PRO A 57 -0.500 3.738 -13.384 1.00 0.00 C ATOM 0 HA PRO A 57 0.577 6.442 -11.918 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.397 6.870 -14.486 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.091 5.980 -14.230 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.685 4.922 -14.731 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.162 4.379 -15.407 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.355 3.063 -13.345 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.389 3.119 -13.508 1.00 0.00 H new ATOM 870 N GLY A 58 -1.608 7.189 -10.899 1.00 0.00 N ATOM 871 CA GLY A 58 -2.748 7.984 -10.479 1.00 0.00 C ATOM 872 C GLY A 58 -3.132 7.727 -9.036 1.00 0.00 C ATOM 873 O GLY A 58 -3.762 8.570 -8.395 1.00 0.00 O ATOM 0 H GLY A 58 -0.957 6.946 -10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.517 9.041 -10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.599 7.763 -11.123 1.00 0.00 H new ATOM 877 N SER A 59 -2.754 6.562 -8.522 1.00 0.00 N ATOM 878 CA SER A 59 -3.068 6.194 -7.146 1.00 0.00 C ATOM 879 C SER A 59 -2.988 7.410 -6.228 1.00 0.00 C ATOM 880 O SER A 59 -3.944 7.735 -5.524 1.00 0.00 O ATOM 881 CB SER A 59 -2.112 5.106 -6.655 1.00 0.00 C ATOM 882 OG SER A 59 -0.831 5.249 -7.244 1.00 0.00 O ATOM 0 H SER A 59 -2.229 5.856 -9.038 1.00 0.00 H new ATOM 0 HA SER A 59 -4.087 5.808 -7.122 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.024 5.157 -5.570 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.519 4.124 -6.896 1.00 0.00 H new ATOM 0 HG SER A 59 -0.861 4.937 -8.173 1.00 0.00 H new ATOM 888 N VAL A 60 -1.838 8.078 -6.239 1.00 0.00 N ATOM 889 CA VAL A 60 -1.631 9.258 -5.409 1.00 0.00 C ATOM 890 C VAL A 60 -1.237 10.463 -6.255 1.00 0.00 C ATOM 891 O VAL A 60 -0.231 10.451 -6.966 1.00 0.00 O ATOM 892 CB VAL A 60 -0.544 9.012 -4.345 1.00 0.00 C ATOM 893 CG1 VAL A 60 -0.421 10.214 -3.421 1.00 0.00 C ATOM 894 CG2 VAL A 60 -0.851 7.749 -3.554 1.00 0.00 C ATOM 0 H VAL A 60 -1.036 7.821 -6.814 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.578 9.464 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 60 0.412 8.873 -4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.351 10.023 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.152 11.095 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.374 10.387 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.074 7.590 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.815 7.856 -3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.884 6.895 -4.231 1.00 0.00 H new ATOM 904 N PRO A 61 -2.045 11.530 -6.179 1.00 0.00 N ATOM 905 CA PRO A 61 -1.799 12.765 -6.930 1.00 0.00 C ATOM 906 C PRO A 61 -0.583 13.526 -6.414 1.00 0.00 C ATOM 907 O PRO A 61 0.304 13.898 -7.184 1.00 0.00 O ATOM 908 CB PRO A 61 -3.075 13.578 -6.704 1.00 0.00 C ATOM 909 CG PRO A 61 -3.622 13.073 -5.413 1.00 0.00 C ATOM 910 CD PRO A 61 -3.261 11.615 -5.353 1.00 0.00 C ATOM 0 HA PRO A 61 -1.584 12.567 -7.980 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.860 14.645 -6.653 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.785 13.434 -7.518 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.195 13.616 -4.569 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.702 13.210 -5.367 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.075 11.289 -4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.060 10.987 -5.748 1.00 0.00 H new ATOM 918 N LYS A 62 -0.546 13.755 -5.105 1.00 0.00 N ATOM 919 CA LYS A 62 0.561 14.470 -4.485 1.00 0.00 C ATOM 920 C LYS A 62 0.899 13.874 -3.121 1.00 0.00 C ATOM 921 O LYS A 62 0.078 13.185 -2.515 1.00 0.00 O ATOM 922 CB LYS A 62 0.217 15.953 -4.333 1.00 0.00 C ATOM 923 CG LYS A 62 1.435 16.851 -4.199 1.00 0.00 C ATOM 924 CD LYS A 62 1.042 18.280 -3.862 1.00 0.00 C ATOM 925 CE LYS A 62 0.473 19.002 -5.073 1.00 0.00 C ATOM 926 NZ LYS A 62 1.546 19.577 -5.930 1.00 0.00 N ATOM 0 H LYS A 62 -1.271 13.455 -4.454 1.00 0.00 H new ATOM 0 HA LYS A 62 1.432 14.370 -5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.366 16.272 -5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.417 16.082 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.092 16.461 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.001 16.839 -5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.304 18.276 -3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.913 18.820 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.128 18.308 -5.660 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.193 19.799 -4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.118 20.061 -6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.104 20.258 -5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.167 18.814 -6.268 1.00 0.00 H new ATOM 940 N ILE A 63 2.109 14.145 -2.645 1.00 0.00 N ATOM 941 CA ILE A 63 2.553 13.636 -1.353 1.00 0.00 C ATOM 942 C ILE A 63 2.953 14.776 -0.422 1.00 0.00 C ATOM 943 O ILE A 63 3.578 15.747 -0.847 1.00 0.00 O ATOM 944 CB ILE A 63 3.743 12.671 -1.505 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.317 11.421 -2.278 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.297 12.293 -0.140 1.00 0.00 C ATOM 947 CD1 ILE A 63 4.480 10.615 -2.812 1.00 0.00 C ATOM 0 H ILE A 63 2.800 14.714 -3.134 1.00 0.00 H new ATOM 0 HA ILE A 63 1.711 13.095 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 63 4.530 13.173 -2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.716 10.788 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.679 11.718 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.138 11.610 -0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.633 13.191 0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.518 11.806 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.103 9.744 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.069 11.232 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.107 10.287 -1.983 1.00 0.00 H new ATOM 959 N ASN A 64 2.590 14.650 0.849 1.00 0.00 N ATOM 960 CA ASN A 64 2.913 15.668 1.842 1.00 0.00 C ATOM 961 C ASN A 64 4.248 15.367 2.516 1.00 0.00 C ATOM 962 O ASN A 64 4.306 14.629 3.500 1.00 0.00 O ATOM 963 CB ASN A 64 1.805 15.755 2.894 1.00 0.00 C ATOM 964 CG ASN A 64 0.428 15.882 2.274 1.00 0.00 C ATOM 965 OD1 ASN A 64 0.237 16.615 1.303 1.00 0.00 O ATOM 966 ND2 ASN A 64 -0.541 15.167 2.833 1.00 0.00 N ATOM 0 H ASN A 64 2.071 13.852 1.217 1.00 0.00 H new ATOM 0 HA ASN A 64 2.993 16.627 1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.836 14.866 3.525 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.989 16.612 3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.489 15.212 2.459 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.338 14.573 3.637 1.00 0.00 H new ATOM 973 N ARG A 65 5.319 15.944 1.981 1.00 0.00 N ATOM 974 CA ARG A 65 6.654 15.737 2.530 1.00 0.00 C ATOM 975 C ARG A 65 6.933 16.719 3.664 1.00 0.00 C ATOM 976 O ARG A 65 7.986 17.354 3.704 1.00 0.00 O ATOM 977 CB ARG A 65 7.709 15.893 1.435 1.00 0.00 C ATOM 978 CG ARG A 65 7.883 14.652 0.574 1.00 0.00 C ATOM 979 CD ARG A 65 8.975 14.844 -0.466 1.00 0.00 C ATOM 980 NE ARG A 65 8.485 15.540 -1.653 1.00 0.00 N ATOM 981 CZ ARG A 65 8.439 16.863 -1.762 1.00 0.00 C ATOM 982 NH1 ARG A 65 8.853 17.629 -0.762 1.00 0.00 N ATOM 983 NH2 ARG A 65 7.980 17.423 -2.874 1.00 0.00 N ATOM 0 H ARG A 65 5.288 16.559 1.168 1.00 0.00 H new ATOM 0 HA ARG A 65 6.702 14.724 2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.435 16.733 0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.665 16.142 1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.128 13.800 1.208 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.942 14.418 0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.797 15.410 -0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.375 13.872 -0.755 1.00 0.00 H new ATOM 0 HE ARG A 65 8.160 14.980 -2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.208 17.203 0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.816 18.645 -0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.662 16.837 -3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.945 18.439 -2.957 1.00 0.00 H new ATOM 997 N SER A 66 5.981 16.839 4.585 1.00 0.00 N ATOM 998 CA SER A 66 6.123 17.746 5.717 1.00 0.00 C ATOM 999 C SER A 66 6.087 16.980 7.035 1.00 0.00 C ATOM 1000 O SER A 66 5.478 15.914 7.130 1.00 0.00 O ATOM 1001 CB SER A 66 5.013 18.799 5.695 1.00 0.00 C ATOM 1002 OG SER A 66 5.087 19.594 4.525 1.00 0.00 O ATOM 0 H SER A 66 5.104 16.319 4.569 1.00 0.00 H new ATOM 0 HA SER A 66 7.089 18.244 5.633 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.041 18.308 5.744 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.094 19.435 6.576 1.00 0.00 H new ATOM 0 HG SER A 66 4.366 20.258 4.534 1.00 0.00 H new ATOM 1008 N MET A 67 6.744 17.530 8.052 1.00 0.00 N ATOM 1009 CA MET A 67 6.787 16.899 9.365 1.00 0.00 C ATOM 1010 C MET A 67 5.533 17.229 10.168 1.00 0.00 C ATOM 1011 O MET A 67 5.609 17.533 11.357 1.00 0.00 O ATOM 1012 CB MET A 67 8.031 17.352 10.132 1.00 0.00 C ATOM 1013 CG MET A 67 8.388 16.447 11.300 1.00 0.00 C ATOM 1014 SD MET A 67 9.540 17.219 12.450 1.00 0.00 S ATOM 1015 CE MET A 67 11.017 17.310 11.441 1.00 0.00 C ATOM 0 H MET A 67 7.254 18.411 7.991 1.00 0.00 H new ATOM 0 HA MET A 67 6.831 15.820 9.220 1.00 0.00 H new ATOM 0 HB2 MET A 67 8.876 17.395 9.445 1.00 0.00 H new ATOM 0 HB3 MET A 67 7.870 18.364 10.503 1.00 0.00 H new ATOM 0 HG2 MET A 67 7.478 16.172 11.833 1.00 0.00 H new ATOM 0 HG3 MET A 67 8.825 15.524 10.919 1.00 0.00 H new ATOM 0 HE1 MET A 67 11.841 17.701 12.037 1.00 0.00 H new ATOM 0 HE2 MET A 67 11.272 16.314 11.078 1.00 0.00 H new ATOM 0 HE3 MET A 67 10.838 17.970 10.593 1.00 0.00 H new ATOM 1025 N GLN A 68 4.380 17.169 9.508 1.00 0.00 N ATOM 1026 CA GLN A 68 3.110 17.463 10.162 1.00 0.00 C ATOM 1027 C GLN A 68 2.240 16.213 10.248 1.00 0.00 C ATOM 1028 O GLN A 68 2.179 15.422 9.308 1.00 0.00 O ATOM 1029 CB GLN A 68 2.366 18.565 9.404 1.00 0.00 C ATOM 1030 CG GLN A 68 3.173 19.843 9.243 1.00 0.00 C ATOM 1031 CD GLN A 68 3.858 20.268 10.527 1.00 0.00 C ATOM 1032 OE1 GLN A 68 3.283 20.171 11.612 1.00 0.00 O ATOM 1033 NE2 GLN A 68 5.093 20.741 10.411 1.00 0.00 N ATOM 0 H GLN A 68 4.300 16.920 8.522 1.00 0.00 H new ATOM 0 HA GLN A 68 3.322 17.807 11.175 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.089 18.193 8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.439 18.794 9.930 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.924 19.698 8.466 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.515 20.643 8.905 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.531 20.804 9.492 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.604 21.042 11.241 1.00 0.00 H new ATOM 1042 N ASN A 69 1.569 16.042 11.383 1.00 0.00 N ATOM 1043 CA ASN A 69 0.704 14.888 11.593 1.00 0.00 C ATOM 1044 C ASN A 69 -0.346 14.787 10.489 1.00 0.00 C ATOM 1045 O ASN A 69 -0.305 13.877 9.662 1.00 0.00 O ATOM 1046 CB ASN A 69 0.018 14.980 12.957 1.00 0.00 C ATOM 1047 CG ASN A 69 1.006 15.193 14.088 1.00 0.00 C ATOM 1048 OD1 ASN A 69 1.983 15.927 13.942 1.00 0.00 O ATOM 1049 ND2 ASN A 69 0.754 14.550 15.222 1.00 0.00 N ATOM 0 H ASN A 69 1.608 16.688 12.171 1.00 0.00 H new ATOM 0 HA ASN A 69 1.323 13.991 11.565 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.699 15.801 12.945 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.547 14.066 13.139 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.383 14.654 16.018 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.069 13.952 15.297 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.283 15.729 10.484 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.343 15.746 9.482 1.00 0.00 C ATOM 1058 C TRP A 70 -1.803 15.350 8.112 1.00 0.00 C ATOM 1059 O TRP A 70 -2.388 14.514 7.422 1.00 0.00 O ATOM 1060 CB TRP A 70 -2.980 17.134 9.410 1.00 0.00 C ATOM 1061 CG TRP A 70 -1.981 18.250 9.433 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -1.230 18.700 8.384 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -1.622 19.057 10.561 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -0.426 19.736 8.792 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -0.649 19.975 10.122 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -2.030 19.093 11.896 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 -0.077 20.917 10.974 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -1.462 20.029 12.741 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -0.495 20.931 12.278 1.00 0.00 C ATOM 0 H TRP A 70 -1.330 16.490 11.162 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.101 15.020 9.777 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.573 17.206 8.498 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.667 17.254 10.248 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.264 18.300 7.381 1.00 0.00 H new ATOM 0 HE1 TRP A 70 0.231 20.245 8.200 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -2.775 18.403 12.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.670 21.612 10.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.769 20.065 13.776 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.071 21.651 12.962 1.00 0.00 H new ATOM 1080 N HIS A 71 -0.684 15.953 7.724 1.00 0.00 N ATOM 1081 CA HIS A 71 -0.066 15.661 6.435 1.00 0.00 C ATOM 1082 C HIS A 71 0.338 14.193 6.347 1.00 0.00 C ATOM 1083 O HIS A 71 -0.038 13.493 5.406 1.00 0.00 O ATOM 1084 CB HIS A 71 1.159 16.552 6.220 1.00 0.00 C ATOM 1085 CG HIS A 71 0.820 17.926 5.732 1.00 0.00 C ATOM 1086 ND1 HIS A 71 1.509 19.056 6.122 1.00 0.00 N ATOM 1087 CD2 HIS A 71 -0.139 18.351 4.876 1.00 0.00 C ATOM 1088 CE1 HIS A 71 0.987 20.115 5.531 1.00 0.00 C ATOM 1089 NE2 HIS A 71 -0.015 19.715 4.769 1.00 0.00 N ATOM 0 H HIS A 71 -0.187 16.646 8.283 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.798 15.866 5.654 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.708 16.633 7.158 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.825 16.074 5.501 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.866 17.733 4.371 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.322 21.135 5.650 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.601 20.320 4.195 1.00 0.00 H new ATOM 1098 N GLN A 72 1.104 13.734 7.331 1.00 0.00 N ATOM 1099 CA GLN A 72 1.559 12.349 7.361 1.00 0.00 C ATOM 1100 C GLN A 72 0.381 11.386 7.246 1.00 0.00 C ATOM 1101 O GLN A 72 0.478 10.345 6.595 1.00 0.00 O ATOM 1102 CB GLN A 72 2.334 12.073 8.651 1.00 0.00 C ATOM 1103 CG GLN A 72 3.704 12.731 8.690 1.00 0.00 C ATOM 1104 CD GLN A 72 4.366 12.621 10.050 1.00 0.00 C ATOM 1105 OE1 GLN A 72 4.278 11.588 10.714 1.00 0.00 O ATOM 1106 NE2 GLN A 72 5.033 13.689 10.471 1.00 0.00 N ATOM 0 H GLN A 72 1.422 14.300 8.117 1.00 0.00 H new ATOM 0 HA GLN A 72 2.219 12.191 6.508 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.747 12.424 9.500 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.454 10.996 8.770 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.346 12.270 7.939 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.605 13.783 8.422 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.080 14.524 9.887 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.499 13.674 11.378 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.730 11.740 7.882 1.00 0.00 N ATOM 1116 CA LEU A 73 -1.927 10.908 7.851 1.00 0.00 C ATOM 1117 C LEU A 73 -2.521 10.860 6.448 1.00 0.00 C ATOM 1118 O LEU A 73 -2.735 9.785 5.891 1.00 0.00 O ATOM 1119 CB LEU A 73 -2.966 11.439 8.840 1.00 0.00 C ATOM 1120 CG LEU A 73 -2.891 10.878 10.261 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -3.297 9.411 10.277 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.490 11.051 10.829 1.00 0.00 C ATOM 0 H LEU A 73 -0.827 12.598 8.425 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.644 9.896 8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.866 12.523 8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.958 11.230 8.440 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.587 11.434 10.889 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.238 9.028 11.296 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.319 9.312 9.911 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.625 8.841 9.636 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.455 10.646 11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.775 10.520 10.201 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.235 12.111 10.853 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.784 12.034 5.882 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.352 12.126 4.541 1.00 0.00 C ATOM 1136 C GLU A 74 -2.641 11.175 3.583 1.00 0.00 C ATOM 1137 O GLU A 74 -3.269 10.559 2.722 1.00 0.00 O ATOM 1138 CB GLU A 74 -3.256 13.560 4.019 1.00 0.00 C ATOM 1139 CG GLU A 74 -4.120 13.822 2.798 1.00 0.00 C ATOM 1140 CD GLU A 74 -5.594 13.590 3.066 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -6.158 14.293 3.931 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -6.185 12.705 2.412 1.00 0.00 O ATOM 0 H GLU A 74 -2.613 12.934 6.330 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.402 11.838 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.547 14.247 4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.217 13.779 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.972 14.850 2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.796 13.175 1.983 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.326 11.061 3.740 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.528 10.185 2.888 1.00 0.00 C ATOM 1151 C ASN A 75 -1.088 8.767 2.889 1.00 0.00 C ATOM 1152 O ASN A 75 -1.360 8.193 1.833 1.00 0.00 O ATOM 1153 CB ASN A 75 0.929 10.172 3.357 1.00 0.00 C ATOM 1154 CG ASN A 75 1.618 11.506 3.142 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.168 12.328 2.345 1.00 0.00 O ATOM 1156 ND2 ASN A 75 2.716 11.726 3.855 1.00 0.00 N ATOM 0 H ASN A 75 -0.791 11.563 4.448 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.571 10.572 1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.965 9.914 4.415 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.473 9.395 2.821 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.222 12.606 3.753 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.053 11.016 4.505 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.257 8.205 4.081 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.786 6.852 4.221 1.00 0.00 C ATOM 1165 C LEU A 76 -3.212 6.766 3.686 1.00 0.00 C ATOM 1166 O LEU A 76 -3.541 5.870 2.909 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.753 6.420 5.688 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.366 6.288 6.318 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.477 5.804 7.756 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.504 5.343 5.501 1.00 0.00 C ATOM 0 H LEU A 76 -1.036 8.665 4.964 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.157 6.181 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.328 7.140 6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.262 5.460 5.775 1.00 0.00 H new ATOM 0 HG LEU A 76 0.105 7.271 6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.520 5.716 8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.062 6.518 8.336 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.968 4.831 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.487 5.261 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.037 4.359 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.611 5.731 4.488 1.00 0.00 H new ATOM 1182 N SER A 77 -4.053 7.706 4.105 1.00 0.00 N ATOM 1183 CA SER A 77 -5.445 7.736 3.669 1.00 0.00 C ATOM 1184 C SER A 77 -5.541 7.617 2.151 1.00 0.00 C ATOM 1185 O SER A 77 -6.383 6.889 1.627 1.00 0.00 O ATOM 1186 CB SER A 77 -6.119 9.029 4.134 1.00 0.00 C ATOM 1187 OG SER A 77 -6.464 8.958 5.507 1.00 0.00 O ATOM 0 H SER A 77 -3.795 8.457 4.746 1.00 0.00 H new ATOM 0 HA SER A 77 -5.959 6.885 4.116 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.449 9.873 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.014 9.210 3.540 1.00 0.00 H new ATOM 0 HG SER A 77 -6.891 9.796 5.781 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.672 8.339 1.450 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.658 8.315 -0.007 1.00 0.00 C ATOM 1195 C ASN A 78 -4.131 6.980 -0.525 1.00 0.00 C ATOM 1196 O ASN A 78 -4.775 6.320 -1.341 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.800 9.460 -0.549 1.00 0.00 C ATOM 1198 CG ASN A 78 -4.519 10.794 -0.503 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -5.746 10.853 -0.588 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -3.757 11.873 -0.368 1.00 0.00 N ATOM 0 H ASN A 78 -3.969 8.948 1.868 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.683 8.441 -0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.880 9.526 0.031 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.514 9.240 -1.577 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.185 12.798 -0.331 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.744 11.777 -0.301 1.00 0.00 H new ATOM 1207 N PHE A 79 -2.956 6.589 -0.044 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.342 5.333 -0.459 1.00 0.00 C ATOM 1209 C PHE A 79 -3.320 4.172 -0.306 1.00 0.00 C ATOM 1210 O PHE A 79 -3.376 3.279 -1.153 1.00 0.00 O ATOM 1211 CB PHE A 79 -1.079 5.062 0.365 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.555 3.663 0.214 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.279 3.143 -1.040 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.337 2.867 1.328 1.00 0.00 C ATOM 1215 CE1 PHE A 79 0.204 1.855 -1.181 1.00 0.00 C ATOM 1216 CE2 PHE A 79 0.146 1.579 1.192 1.00 0.00 C ATOM 1217 CZ PHE A 79 0.418 1.073 -0.063 1.00 0.00 C ATOM 0 H PHE A 79 -2.410 7.123 0.633 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.071 5.420 -1.511 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.302 5.767 0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.294 5.250 1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.443 3.751 -1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.547 3.258 2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.414 1.461 -2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.311 0.969 2.068 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.797 0.068 -0.170 1.00 0.00 H new ATOM 1227 N ILE A 80 -4.088 4.192 0.777 1.00 0.00 N ATOM 1228 CA ILE A 80 -5.065 3.142 1.040 1.00 0.00 C ATOM 1229 C ILE A 80 -6.143 3.112 -0.039 1.00 0.00 C ATOM 1230 O ILE A 80 -6.306 2.114 -0.741 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.735 3.328 2.415 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.694 3.224 3.531 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -6.835 2.296 2.611 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -5.034 4.049 4.753 1.00 0.00 C ATOM 0 H ILE A 80 -4.053 4.923 1.487 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.522 2.197 1.035 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.184 4.321 2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.591 2.179 3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.726 3.543 3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.299 2.440 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.587 2.413 1.831 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.408 1.295 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.253 3.927 5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.108 5.100 4.473 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.987 3.715 5.164 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.876 4.213 -0.165 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.938 4.315 -1.160 1.00 0.00 C ATOM 1248 C LYS A 81 -7.449 3.845 -2.527 1.00 0.00 C ATOM 1249 O LYS A 81 -8.228 3.336 -3.333 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.439 5.758 -1.254 1.00 0.00 C ATOM 1251 CG LYS A 81 -9.144 6.240 0.001 1.00 0.00 C ATOM 1252 CD LYS A 81 -10.460 5.511 0.217 1.00 0.00 C ATOM 1253 CE LYS A 81 -11.439 6.354 1.020 1.00 0.00 C ATOM 1254 NZ LYS A 81 -11.230 6.200 2.486 1.00 0.00 N ATOM 0 H LYS A 81 -6.754 5.047 0.409 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.760 3.671 -0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.594 6.414 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.122 5.842 -2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.497 6.087 0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.329 7.312 -0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.901 5.260 -0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.275 4.571 0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.326 7.403 0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.459 6.066 0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.916 6.790 2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.363 5.204 2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.265 6.499 2.732 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.156 4.018 -2.780 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.564 3.608 -4.047 1.00 0.00 C ATOM 1270 C ALA A 82 -5.669 2.098 -4.239 1.00 0.00 C ATOM 1271 O ALA A 82 -6.079 1.625 -5.297 1.00 0.00 O ATOM 1272 CB ALA A 82 -4.111 4.052 -4.119 1.00 0.00 C ATOM 0 H ALA A 82 -5.498 4.439 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.119 4.089 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.682 3.739 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.058 5.138 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.551 3.598 -3.301 1.00 0.00 H new ATOM 1278 N MET A 83 -5.293 1.349 -3.208 1.00 0.00 N ATOM 1279 CA MET A 83 -5.345 -0.107 -3.264 1.00 0.00 C ATOM 1280 C MET A 83 -6.721 -0.586 -3.714 1.00 0.00 C ATOM 1281 O MET A 83 -6.839 -1.387 -4.642 1.00 0.00 O ATOM 1282 CB MET A 83 -5.007 -0.705 -1.896 1.00 0.00 C ATOM 1283 CG MET A 83 -3.516 -0.889 -1.665 1.00 0.00 C ATOM 1284 SD MET A 83 -2.755 0.536 -0.865 1.00 0.00 S ATOM 1285 CE MET A 83 -2.717 -0.012 0.840 1.00 0.00 C ATOM 0 H MET A 83 -4.949 1.726 -2.325 1.00 0.00 H new ATOM 0 HA MET A 83 -4.607 -0.443 -3.992 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.410 -0.059 -1.116 1.00 0.00 H new ATOM 0 HB3 MET A 83 -5.503 -1.670 -1.798 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.354 -1.775 -1.051 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.024 -1.070 -2.621 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.706 0.855 1.501 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.601 -0.615 1.048 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.821 -0.610 1.010 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.761 -0.090 -3.051 1.00 0.00 N ATOM 1296 CA VAL A 84 -9.131 -0.466 -3.384 1.00 0.00 C ATOM 1297 C VAL A 84 -9.383 -0.350 -4.883 1.00 0.00 C ATOM 1298 O VAL A 84 -10.019 -1.215 -5.485 1.00 0.00 O ATOM 1299 CB VAL A 84 -10.152 0.409 -2.633 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.571 -0.020 -2.968 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -9.906 0.345 -1.133 1.00 0.00 C ATOM 0 H VAL A 84 -7.681 0.573 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.258 -1.504 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.026 1.443 -2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.278 0.609 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.739 0.083 -4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.715 -1.060 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.636 0.969 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.004 -0.686 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.901 0.706 -0.913 1.00 0.00 H new ATOM 1311 N SER A 85 -8.880 0.725 -5.480 1.00 0.00 N ATOM 1312 CA SER A 85 -9.054 0.957 -6.910 1.00 0.00 C ATOM 1313 C SER A 85 -8.203 -0.012 -7.725 1.00 0.00 C ATOM 1314 O SER A 85 -8.648 -0.543 -8.742 1.00 0.00 O ATOM 1315 CB SER A 85 -8.685 2.399 -7.262 1.00 0.00 C ATOM 1316 OG SER A 85 -9.093 2.722 -8.580 1.00 0.00 O ATOM 0 H SER A 85 -8.349 1.449 -4.997 1.00 0.00 H new ATOM 0 HA SER A 85 -10.102 0.787 -7.156 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.156 3.081 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.608 2.536 -7.168 1.00 0.00 H new ATOM 0 HG SER A 85 -8.847 3.649 -8.781 1.00 0.00 H new ATOM 1322 N TYR A 86 -6.974 -0.234 -7.271 1.00 0.00 N ATOM 1323 CA TYR A 86 -6.057 -1.137 -7.959 1.00 0.00 C ATOM 1324 C TYR A 86 -6.689 -2.513 -8.151 1.00 0.00 C ATOM 1325 O TYR A 86 -6.521 -3.145 -9.192 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.752 -1.268 -7.173 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.581 -1.723 -8.014 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -3.168 -0.987 -9.119 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.889 -2.886 -7.707 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -2.099 -1.398 -9.892 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -1.818 -3.304 -8.472 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.427 -2.558 -9.565 1.00 0.00 C ATOM 1333 OH TYR A 86 -0.362 -2.971 -10.331 1.00 0.00 O ATOM 0 H TYR A 86 -6.590 0.198 -6.431 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.841 -0.716 -8.941 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.512 -0.306 -6.721 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.899 -1.975 -6.357 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.692 -0.079 -9.378 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.194 -3.475 -6.854 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.791 -0.815 -10.747 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.289 -4.210 -8.216 1.00 0.00 H new ATOM 0 HH TYR A 86 0.084 -2.190 -10.719 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.418 -2.969 -7.136 1.00 0.00 N ATOM 1344 CA GLY A 87 -8.064 -4.266 -7.211 1.00 0.00 C ATOM 1345 C GLY A 87 -7.724 -5.153 -6.029 1.00 0.00 C ATOM 1346 O GLY A 87 -7.595 -6.368 -6.175 1.00 0.00 O ATOM 0 H GLY A 87 -7.572 -2.463 -6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.144 -4.128 -7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.765 -4.764 -8.133 1.00 0.00 H new ATOM 1350 N MET A 88 -7.578 -4.544 -4.858 1.00 0.00 N ATOM 1351 CA MET A 88 -7.250 -5.287 -3.647 1.00 0.00 C ATOM 1352 C MET A 88 -8.517 -5.702 -2.904 1.00 0.00 C ATOM 1353 O MET A 88 -9.623 -5.326 -3.288 1.00 0.00 O ATOM 1354 CB MET A 88 -6.360 -4.444 -2.730 1.00 0.00 C ATOM 1355 CG MET A 88 -5.027 -4.071 -3.355 1.00 0.00 C ATOM 1356 SD MET A 88 -3.762 -5.331 -3.096 1.00 0.00 S ATOM 1357 CE MET A 88 -3.317 -5.018 -1.389 1.00 0.00 C ATOM 0 H MET A 88 -7.681 -3.539 -4.721 1.00 0.00 H new ATOM 0 HA MET A 88 -6.709 -6.187 -3.939 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.892 -3.533 -2.458 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.178 -4.995 -1.807 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.163 -3.913 -4.425 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.684 -3.126 -2.934 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.505 -5.684 -1.097 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.994 -3.983 -1.281 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.181 -5.197 -0.749 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.345 -6.478 -1.838 1.00 0.00 N ATOM 1368 CA ASN A 89 -9.476 -6.944 -1.043 1.00 0.00 C ATOM 1369 C ASN A 89 -9.716 -6.026 0.151 1.00 0.00 C ATOM 1370 O ASN A 89 -8.828 -5.295 0.592 1.00 0.00 O ATOM 1371 CB ASN A 89 -9.229 -8.374 -0.559 1.00 0.00 C ATOM 1372 CG ASN A 89 -9.728 -9.413 -1.546 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -9.133 -9.614 -2.605 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -10.826 -10.075 -1.204 1.00 0.00 N ATOM 0 H ASN A 89 -7.435 -6.797 -1.505 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.364 -6.929 -1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.162 -8.519 -0.392 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.725 -8.521 0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.210 -10.784 -1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.286 -9.875 -0.316 1.00 0.00 H new ATOM 1381 N PRO A 90 -10.943 -6.062 0.688 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.329 -5.241 1.840 1.00 0.00 C ATOM 1383 C PRO A 90 -10.645 -5.689 3.127 1.00 0.00 C ATOM 1384 O PRO A 90 -10.759 -5.034 4.163 1.00 0.00 O ATOM 1385 CB PRO A 90 -12.842 -5.452 1.937 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.080 -6.780 1.303 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.051 -6.910 0.215 1.00 0.00 C ATOM 0 HA PRO A 90 -11.038 -4.198 1.712 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.178 -5.442 2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.386 -4.662 1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -12.980 -7.584 2.032 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.089 -6.843 0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.736 -7.945 0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.437 -6.568 -0.745 1.00 0.00 H new ATOM 1395 N VAL A 91 -9.936 -6.811 3.055 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.231 -7.346 4.215 1.00 0.00 C ATOM 1397 C VAL A 91 -7.724 -7.177 4.068 1.00 0.00 C ATOM 1398 O VAL A 91 -6.964 -7.470 4.992 1.00 0.00 O ATOM 1399 CB VAL A 91 -9.553 -8.838 4.426 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -11.044 -9.037 4.648 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -9.067 -9.660 3.241 1.00 0.00 C ATOM 0 H VAL A 91 -9.834 -7.367 2.206 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.573 -6.782 5.083 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.029 -9.182 5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.252 -10.097 4.795 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.358 -8.480 5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.593 -8.677 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.302 -10.711 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.561 -9.316 2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.989 -9.542 3.134 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.298 -6.704 2.903 1.00 0.00 N ATOM 1412 CA ASP A 92 -5.879 -6.494 2.636 1.00 0.00 C ATOM 1413 C ASP A 92 -5.513 -5.019 2.771 1.00 0.00 C ATOM 1414 O ASP A 92 -4.440 -4.593 2.343 1.00 0.00 O ATOM 1415 CB ASP A 92 -5.523 -6.994 1.235 1.00 0.00 C ATOM 1416 CG ASP A 92 -5.438 -8.505 1.163 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -4.804 -9.106 2.056 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -6.005 -9.088 0.215 1.00 0.00 O ATOM 0 H ASP A 92 -7.914 -6.458 2.128 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.308 -7.060 3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.272 -6.641 0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.568 -6.565 0.931 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.410 -4.245 3.371 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.183 -2.816 3.563 1.00 0.00 C ATOM 1425 C LEU A 93 -5.835 -2.512 5.016 1.00 0.00 C ATOM 1426 O LEU A 93 -5.988 -3.361 5.893 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.421 -2.022 3.145 1.00 0.00 C ATOM 1428 CG LEU A 93 -7.873 -2.197 1.695 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -9.220 -1.527 1.471 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -6.831 -1.635 0.740 1.00 0.00 C ATOM 0 H LEU A 93 -7.302 -4.582 3.733 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.342 -2.519 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.247 -2.304 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.225 -0.964 3.318 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.983 -3.263 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.525 -1.662 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.964 -1.976 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.138 -0.462 1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.170 -1.768 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.689 -0.573 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.887 -2.160 0.882 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.367 -1.292 5.263 1.00 0.00 N ATOM 1443 CA PHE A 94 -4.999 -0.874 6.610 1.00 0.00 C ATOM 1444 C PHE A 94 -5.337 0.597 6.835 1.00 0.00 C ATOM 1445 O PHE A 94 -5.292 1.403 5.907 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.505 -1.107 6.849 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.620 -0.219 6.022 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.221 -0.607 4.753 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.188 1.002 6.513 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.406 0.208 3.990 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.373 1.821 5.755 1.00 0.00 C ATOM 1452 CZ PHE A 94 -0.982 1.424 4.491 1.00 0.00 C ATOM 0 H PHE A 94 -5.234 -0.577 4.548 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.572 -1.473 7.318 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.284 -0.945 7.904 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.268 -2.148 6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.550 -1.556 4.356 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.492 1.318 7.500 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.101 -0.105 3.003 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.042 2.770 6.150 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.346 2.063 3.896 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.677 0.937 8.074 1.00 0.00 N ATOM 1463 CA GLU A 95 -6.026 2.310 8.421 1.00 0.00 C ATOM 1464 C GLU A 95 -4.771 3.157 8.614 1.00 0.00 C ATOM 1465 O GLU A 95 -3.677 2.629 8.810 1.00 0.00 O ATOM 1466 CB GLU A 95 -6.875 2.340 9.693 1.00 0.00 C ATOM 1467 CG GLU A 95 -8.354 2.099 9.444 1.00 0.00 C ATOM 1468 CD GLU A 95 -9.029 3.273 8.762 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -9.473 4.196 9.475 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -9.113 3.267 7.516 1.00 0.00 O ATOM 0 H GLU A 95 -5.718 0.281 8.854 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.605 2.729 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.504 1.584 10.385 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.750 3.307 10.180 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.475 1.208 8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.851 1.900 10.394 1.00 0.00 H new ATOM 1477 N ALA A 96 -4.938 4.474 8.556 1.00 0.00 N ATOM 1478 CA ALA A 96 -3.821 5.394 8.726 1.00 0.00 C ATOM 1479 C ALA A 96 -3.226 5.283 10.126 1.00 0.00 C ATOM 1480 O ALA A 96 -2.020 5.443 10.312 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.267 6.824 8.453 1.00 0.00 C ATOM 0 H ALA A 96 -5.837 4.928 8.392 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.048 5.123 8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.422 7.500 8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.638 6.901 7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.061 7.097 9.148 1.00 0.00 H new ATOM 1487 N ASN A 97 -4.079 5.009 11.107 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.638 4.878 12.490 1.00 0.00 C ATOM 1489 C ASN A 97 -2.791 3.621 12.674 1.00 0.00 C ATOM 1490 O ASN A 97 -1.735 3.659 13.306 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.844 4.836 13.431 1.00 0.00 C ATOM 1492 CG ASN A 97 -5.973 5.734 12.963 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -6.835 5.200 12.105 1.00 0.00 O flip ATOM 1494 ND2 ASN A 97 -6.070 6.892 13.368 1.00 0.00 N flip ATOM 0 H ASN A 97 -5.081 4.873 10.969 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.026 5.747 12.734 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.206 3.811 13.507 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.532 5.139 14.431 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.385 7.261 14.027 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.836 7.483 13.044 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.262 2.511 12.118 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.548 1.244 12.218 1.00 0.00 C ATOM 1503 C ASP A 98 -1.041 1.459 12.123 1.00 0.00 C ATOM 1504 O ASP A 98 -0.268 0.848 12.860 1.00 0.00 O ATOM 1505 CB ASP A 98 -3.011 0.285 11.119 1.00 0.00 C ATOM 1506 CG ASP A 98 -4.402 -0.260 11.374 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -4.883 -0.147 12.521 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -5.009 -0.803 10.427 1.00 0.00 O ATOM 0 H ASP A 98 -4.135 2.463 11.593 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.772 0.805 13.190 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.997 0.803 10.160 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.307 -0.544 11.044 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.631 2.331 11.207 1.00 0.00 N ATOM 1514 CA LEU A 99 0.785 2.627 11.014 1.00 0.00 C ATOM 1515 C LEU A 99 1.210 3.828 11.853 1.00 0.00 C ATOM 1516 O LEU A 99 2.195 3.767 12.589 1.00 0.00 O ATOM 1517 CB LEU A 99 1.071 2.896 9.536 1.00 0.00 C ATOM 1518 CG LEU A 99 2.546 2.922 9.133 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.160 1.536 9.262 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.701 3.445 7.712 1.00 0.00 C ATOM 0 H LEU A 99 -1.258 2.844 10.587 1.00 0.00 H new ATOM 0 HA LEU A 99 1.360 1.760 11.338 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.566 2.133 8.944 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.625 3.854 9.268 1.00 0.00 H new ATOM 0 HG LEU A 99 3.075 3.595 9.807 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.210 1.575 8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.082 1.198 10.295 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.629 0.841 8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.757 3.457 7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.158 2.797 7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.300 4.457 7.651 1.00 0.00 H new ATOM 1532 N PHE A 100 0.459 4.919 11.739 1.00 0.00 N ATOM 1533 CA PHE A 100 0.756 6.134 12.488 1.00 0.00 C ATOM 1534 C PHE A 100 0.993 5.820 13.962 1.00 0.00 C ATOM 1535 O PHE A 100 2.099 5.992 14.473 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.388 7.139 12.346 1.00 0.00 C ATOM 1537 CG PHE A 100 0.013 8.552 12.658 1.00 0.00 C ATOM 1538 CD1 PHE A 100 0.965 9.202 11.890 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.563 9.232 13.721 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.336 10.503 12.175 1.00 0.00 C ATOM 1541 CE2 PHE A 100 -0.197 10.532 14.009 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.756 11.168 13.236 1.00 0.00 C ATOM 0 H PHE A 100 -0.360 4.986 11.135 1.00 0.00 H new ATOM 0 HA PHE A 100 1.666 6.571 12.077 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.774 7.096 11.328 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.202 6.846 13.009 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.423 8.686 11.059 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.306 8.739 14.330 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.079 10.998 11.568 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.655 11.051 14.838 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.046 12.183 13.462 1.00 0.00 H new ATOM 1552 N GLU A 101 -0.054 5.360 14.639 1.00 0.00 N ATOM 1553 CA GLU A 101 0.040 5.023 16.055 1.00 0.00 C ATOM 1554 C GLU A 101 0.292 3.529 16.243 1.00 0.00 C ATOM 1555 O GLU A 101 -0.182 2.927 17.206 1.00 0.00 O ATOM 1556 CB GLU A 101 -1.240 5.433 16.785 1.00 0.00 C ATOM 1557 CG GLU A 101 -1.634 6.882 16.557 1.00 0.00 C ATOM 1558 CD GLU A 101 -2.393 7.472 17.730 1.00 0.00 C ATOM 1559 OE1 GLU A 101 -3.387 6.853 18.165 1.00 0.00 O ATOM 1560 OE2 GLU A 101 -1.993 8.552 18.213 1.00 0.00 O ATOM 0 H GLU A 101 -0.977 5.212 14.230 1.00 0.00 H new ATOM 0 HA GLU A 101 0.882 5.571 16.478 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.056 4.788 16.459 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.108 5.265 17.854 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.737 7.474 16.375 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.249 6.950 15.660 1.00 0.00 H new ATOM 1567 N SER A 102 1.039 2.940 15.316 1.00 0.00 N ATOM 1568 CA SER A 102 1.350 1.516 15.378 1.00 0.00 C ATOM 1569 C SER A 102 0.136 0.714 15.835 1.00 0.00 C ATOM 1570 O SER A 102 0.270 -0.379 16.383 1.00 0.00 O ATOM 1571 CB SER A 102 2.525 1.270 16.326 1.00 0.00 C ATOM 1572 OG SER A 102 2.178 1.584 17.662 1.00 0.00 O ATOM 0 H SER A 102 1.440 3.425 14.514 1.00 0.00 H new ATOM 0 HA SER A 102 1.625 1.185 14.376 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.834 0.227 16.263 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.378 1.874 16.017 1.00 0.00 H new ATOM 0 HG SER A 102 1.264 1.936 17.688 1.00 0.00 H new ATOM 1578 N GLY A 103 -1.052 1.267 15.606 1.00 0.00 N ATOM 1579 CA GLY A 103 -2.273 0.591 16.000 1.00 0.00 C ATOM 1580 C GLY A 103 -2.394 -0.791 15.390 1.00 0.00 C ATOM 1581 O GLY A 103 -3.234 -1.589 15.805 1.00 0.00 O ATOM 0 H GLY A 103 -1.189 2.171 15.155 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.305 0.509 17.086 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.131 1.193 15.701 1.00 0.00 H new ATOM 1585 N ASN A 104 -1.554 -1.075 14.400 1.00 0.00 N ATOM 1586 CA ASN A 104 -1.571 -2.370 13.730 1.00 0.00 C ATOM 1587 C ASN A 104 -0.438 -2.472 12.713 1.00 0.00 C ATOM 1588 O ASN A 104 -0.431 -1.768 11.703 1.00 0.00 O ATOM 1589 CB ASN A 104 -2.916 -2.589 13.034 1.00 0.00 C ATOM 1590 CG ASN A 104 -3.304 -4.054 12.971 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -2.443 -4.933 12.941 1.00 0.00 O ATOM 1592 ND2 ASN A 104 -4.604 -4.321 12.949 1.00 0.00 N ATOM 0 H ASN A 104 -0.853 -0.425 14.044 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.429 -3.143 14.485 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.690 -2.034 13.563 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.869 -2.185 12.023 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.925 -5.288 12.906 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.282 -3.559 12.976 1.00 0.00 H new ATOM 1599 N MET A 105 0.518 -3.353 12.987 1.00 0.00 N ATOM 1600 CA MET A 105 1.656 -3.548 12.096 1.00 0.00 C ATOM 1601 C MET A 105 1.488 -4.820 11.272 1.00 0.00 C ATOM 1602 O MET A 105 2.275 -5.093 10.364 1.00 0.00 O ATOM 1603 CB MET A 105 2.955 -3.615 12.900 1.00 0.00 C ATOM 1604 CG MET A 105 3.623 -2.263 13.091 1.00 0.00 C ATOM 1605 SD MET A 105 4.814 -1.886 11.792 1.00 0.00 S ATOM 1606 CE MET A 105 3.724 -1.655 10.389 1.00 0.00 C ATOM 0 H MET A 105 0.528 -3.943 13.819 1.00 0.00 H new ATOM 0 HA MET A 105 1.703 -2.698 11.415 1.00 0.00 H new ATOM 0 HB2 MET A 105 2.745 -4.049 13.878 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.650 -4.286 12.396 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.860 -1.485 13.115 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.127 -2.245 14.057 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.252 -1.115 9.603 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.406 -2.627 10.011 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.850 -1.082 10.698 1.00 0.00 H new ATOM 1616 N THR A 106 0.458 -5.596 11.592 1.00 0.00 N ATOM 1617 CA THR A 106 0.187 -6.840 10.882 1.00 0.00 C ATOM 1618 C THR A 106 -0.676 -6.593 9.650 1.00 0.00 C ATOM 1619 O THR A 106 -0.486 -7.227 8.612 1.00 0.00 O ATOM 1620 CB THR A 106 -0.516 -7.865 11.791 1.00 0.00 C ATOM 1621 OG1 THR A 106 -1.883 -7.489 11.989 1.00 0.00 O ATOM 1622 CG2 THR A 106 0.187 -7.966 13.137 1.00 0.00 C ATOM 0 H THR A 106 -0.203 -5.385 12.339 1.00 0.00 H new ATOM 0 HA THR A 106 1.151 -7.243 10.572 1.00 0.00 H new ATOM 0 HB THR A 106 -0.475 -8.839 11.303 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.924 -6.570 12.326 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.327 -8.696 13.762 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.219 -8.281 12.986 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.173 -6.993 13.629 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.624 -5.670 9.773 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.516 -5.342 8.668 1.00 0.00 C ATOM 1632 C GLN A 107 -1.771 -4.588 7.571 1.00 0.00 C ATOM 1633 O GLN A 107 -2.005 -4.809 6.383 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.694 -4.503 9.169 1.00 0.00 C ATOM 1635 CG GLN A 107 -4.968 -4.702 8.364 1.00 0.00 C ATOM 1636 CD GLN A 107 -5.530 -6.104 8.499 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -6.196 -6.427 9.483 1.00 0.00 O ATOM 1638 NE2 GLN A 107 -5.263 -6.946 7.507 1.00 0.00 N ATOM 0 H GLN A 107 -1.794 -5.137 10.626 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.894 -6.275 8.250 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.890 -4.753 10.212 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -3.417 -3.449 9.141 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.717 -3.981 8.692 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.765 -4.495 7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.707 -6.636 6.710 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.614 -7.903 7.542 1.00 0.00 H new ATOM 1647 N VAL A 108 -0.871 -3.698 7.978 1.00 0.00 N ATOM 1648 CA VAL A 108 -0.090 -2.913 7.030 1.00 0.00 C ATOM 1649 C VAL A 108 0.903 -3.791 6.276 1.00 0.00 C ATOM 1650 O VAL A 108 1.223 -3.527 5.118 1.00 0.00 O ATOM 1651 CB VAL A 108 0.677 -1.780 7.737 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.539 -1.018 6.743 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.292 -0.842 8.443 1.00 0.00 C ATOM 0 H VAL A 108 -0.665 -3.503 8.958 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.796 -2.477 6.323 1.00 0.00 H new ATOM 0 HB VAL A 108 1.333 -2.221 8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.073 -0.221 7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.257 -1.700 6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.906 -0.586 5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.266 -0.047 8.938 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.974 -0.406 7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.863 -1.400 9.185 1.00 0.00 H new ATOM 1663 N GLN A 109 1.386 -4.834 6.942 1.00 0.00 N ATOM 1664 CA GLN A 109 2.343 -5.752 6.335 1.00 0.00 C ATOM 1665 C GLN A 109 1.699 -6.535 5.195 1.00 0.00 C ATOM 1666 O GLN A 109 2.194 -6.530 4.067 1.00 0.00 O ATOM 1667 CB GLN A 109 2.893 -6.718 7.385 1.00 0.00 C ATOM 1668 CG GLN A 109 4.088 -7.524 6.903 1.00 0.00 C ATOM 1669 CD GLN A 109 5.004 -7.945 8.035 1.00 0.00 C ATOM 1670 OE1 GLN A 109 5.194 -7.206 9.002 1.00 0.00 O ATOM 1671 NE2 GLN A 109 5.578 -9.136 7.923 1.00 0.00 N ATOM 0 H GLN A 109 1.131 -5.065 7.902 1.00 0.00 H new ATOM 0 HA GLN A 109 3.165 -5.162 5.928 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.180 -6.153 8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.101 -7.403 7.687 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.735 -8.411 6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.654 -6.932 6.184 1.00 0.00 H new ATOM 0 HE21 GLN A 109 5.393 -9.716 7.105 1.00 0.00 H new ATOM 0 HE22 GLN A 109 6.204 -9.471 8.655 1.00 0.00 H new ATOM 1680 N VAL A 110 0.593 -7.206 5.496 1.00 0.00 N ATOM 1681 CA VAL A 110 -0.120 -7.993 4.496 1.00 0.00 C ATOM 1682 C VAL A 110 -0.521 -7.133 3.304 1.00 0.00 C ATOM 1683 O VAL A 110 -0.433 -7.566 2.155 1.00 0.00 O ATOM 1684 CB VAL A 110 -1.380 -8.648 5.092 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -1.001 -9.674 6.149 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -2.307 -7.590 5.672 1.00 0.00 C ATOM 0 H VAL A 110 0.170 -7.221 6.424 1.00 0.00 H new ATOM 0 HA VAL A 110 0.562 -8.775 4.162 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.911 -9.165 4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.905 -10.126 6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.380 -10.448 5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.446 -9.184 6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.192 -8.071 6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.787 -7.042 6.458 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.607 -6.898 4.885 1.00 0.00 H new ATOM 1696 N SER A 111 -0.964 -5.911 3.585 1.00 0.00 N ATOM 1697 CA SER A 111 -1.383 -4.989 2.535 1.00 0.00 C ATOM 1698 C SER A 111 -0.337 -4.917 1.427 1.00 0.00 C ATOM 1699 O SER A 111 -0.670 -4.915 0.242 1.00 0.00 O ATOM 1700 CB SER A 111 -1.625 -3.596 3.118 1.00 0.00 C ATOM 1701 OG SER A 111 -2.475 -2.833 2.278 1.00 0.00 O ATOM 0 H SER A 111 -1.042 -5.537 4.531 1.00 0.00 H new ATOM 0 HA SER A 111 -2.314 -5.361 2.107 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.072 -3.685 4.108 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.673 -3.080 3.243 1.00 0.00 H new ATOM 0 HG SER A 111 -3.379 -3.210 2.299 1.00 0.00 H new ATOM 1707 N LEU A 112 0.930 -4.854 1.822 1.00 0.00 N ATOM 1708 CA LEU A 112 2.027 -4.779 0.864 1.00 0.00 C ATOM 1709 C LEU A 112 2.285 -6.140 0.224 1.00 0.00 C ATOM 1710 O LEU A 112 2.440 -6.246 -0.994 1.00 0.00 O ATOM 1711 CB LEU A 112 3.298 -4.277 1.551 1.00 0.00 C ATOM 1712 CG LEU A 112 3.178 -2.948 2.296 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.451 -2.656 3.075 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.874 -1.817 1.324 1.00 0.00 C ATOM 0 H LEU A 112 1.223 -4.853 2.799 1.00 0.00 H new ATOM 0 HA LEU A 112 1.744 -4.077 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.630 -5.038 2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.080 -4.179 0.798 1.00 0.00 H new ATOM 0 HG LEU A 112 2.353 -3.024 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.347 -1.706 3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.625 -3.452 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.294 -2.600 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.792 -0.878 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.678 -1.741 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.934 -2.021 0.811 1.00 0.00 H new ATOM 1726 N LEU A 113 2.326 -7.178 1.051 1.00 0.00 N ATOM 1727 CA LEU A 113 2.562 -8.534 0.566 1.00 0.00 C ATOM 1728 C LEU A 113 1.496 -8.943 -0.445 1.00 0.00 C ATOM 1729 O LEU A 113 1.725 -9.814 -1.285 1.00 0.00 O ATOM 1730 CB LEU A 113 2.577 -9.519 1.736 1.00 0.00 C ATOM 1731 CG LEU A 113 3.915 -9.683 2.458 1.00 0.00 C ATOM 1732 CD1 LEU A 113 3.736 -10.489 3.736 1.00 0.00 C ATOM 1733 CD2 LEU A 113 4.937 -10.345 1.546 1.00 0.00 C ATOM 0 H LEU A 113 2.199 -7.107 2.061 1.00 0.00 H new ATOM 0 HA LEU A 113 3.533 -8.553 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.831 -9.199 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.264 -10.496 1.367 1.00 0.00 H new ATOM 0 HG LEU A 113 4.285 -8.693 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.698 -10.596 4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.039 -9.974 4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.343 -11.476 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.883 -10.453 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.574 -11.328 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.087 -9.728 0.660 1.00 0.00 H new ATOM 1745 N ALA A 114 0.332 -8.309 -0.360 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.768 -8.604 -1.271 1.00 0.00 C ATOM 1747 C ALA A 114 -0.721 -7.701 -2.499 1.00 0.00 C ATOM 1748 O ALA A 114 -0.948 -8.152 -3.622 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.101 -8.455 -0.553 1.00 0.00 C ATOM 0 H ALA A 114 0.126 -7.587 0.331 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.663 -9.635 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.914 -8.678 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.140 -9.147 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.205 -7.433 -0.188 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.427 -6.425 -2.278 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.351 -5.458 -3.367 1.00 0.00 C ATOM 1757 C LEU A 115 0.822 -5.768 -4.291 1.00 0.00 C ATOM 1758 O LEU A 115 0.757 -5.527 -5.496 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.215 -4.040 -2.809 1.00 0.00 C ATOM 1760 CG LEU A 115 0.356 -2.993 -3.767 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -0.747 -2.407 -4.634 1.00 0.00 C ATOM 1762 CD2 LEU A 115 1.069 -1.895 -2.993 1.00 0.00 C ATOM 0 H LEU A 115 -0.237 -6.036 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.272 -5.527 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.199 -3.705 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.420 -4.079 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 115 1.082 -3.480 -4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.323 -1.664 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.214 -3.202 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.496 -1.934 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.469 -1.159 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.364 -1.410 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.885 -2.328 -2.415 1.00 0.00 H new ATOM 1774 N ALA A 116 1.893 -6.306 -3.718 1.00 0.00 N ATOM 1775 CA ALA A 116 3.079 -6.655 -4.491 1.00 0.00 C ATOM 1776 C ALA A 116 2.822 -7.872 -5.372 1.00 0.00 C ATOM 1777 O ALA A 116 3.165 -7.878 -6.554 1.00 0.00 O ATOM 1778 CB ALA A 116 4.257 -6.913 -3.562 1.00 0.00 C ATOM 0 H ALA A 116 1.964 -6.510 -2.721 1.00 0.00 H new ATOM 0 HA ALA A 116 3.319 -5.813 -5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.136 -7.173 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.464 -6.016 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 116 4.016 -7.736 -2.889 1.00 0.00 H new ATOM 1784 N GLY A 117 2.217 -8.902 -4.790 1.00 0.00 N ATOM 1785 CA GLY A 117 1.926 -10.112 -5.538 1.00 0.00 C ATOM 1786 C GLY A 117 1.171 -9.831 -6.822 1.00 0.00 C ATOM 1787 O GLY A 117 1.502 -10.371 -7.877 1.00 0.00 O ATOM 0 H GLY A 117 1.923 -8.921 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 117 2.859 -10.624 -5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 117 1.340 -10.788 -4.916 1.00 0.00 H new ATOM 1791 N LYS A 118 0.150 -8.985 -6.733 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.656 -8.632 -7.896 1.00 0.00 C ATOM 1793 C LYS A 118 0.127 -7.736 -8.850 1.00 0.00 C ATOM 1794 O LYS A 118 0.052 -7.894 -10.068 1.00 0.00 O ATOM 1795 CB LYS A 118 -1.941 -7.927 -7.457 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.707 -7.290 -8.603 1.00 0.00 C ATOM 1797 CD LYS A 118 -4.202 -7.265 -8.329 1.00 0.00 C ATOM 1798 CE LYS A 118 -4.544 -6.312 -7.194 1.00 0.00 C ATOM 1799 NZ LYS A 118 -4.478 -6.985 -5.868 1.00 0.00 N ATOM 0 H LYS A 118 -0.139 -8.531 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.914 -9.552 -8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.587 -8.647 -6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.692 -7.158 -6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.348 -6.273 -8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.514 -7.843 -9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -4.734 -6.963 -9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.544 -8.269 -8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -3.854 -5.468 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.545 -5.908 -7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.413 -6.951 -5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.191 -7.976 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -3.783 -6.499 -5.266 1.00 0.00 H new ATOM 1813 N ALA A 119 0.879 -6.795 -8.287 1.00 0.00 N ATOM 1814 CA ALA A 119 1.680 -5.877 -9.088 1.00 0.00 C ATOM 1815 C ALA A 119 2.692 -6.631 -9.941 1.00 0.00 C ATOM 1816 O ALA A 119 2.951 -6.263 -11.088 1.00 0.00 O ATOM 1817 CB ALA A 119 2.387 -4.873 -8.190 1.00 0.00 C ATOM 0 H ALA A 119 0.950 -6.649 -7.280 1.00 0.00 H new ATOM 0 HA ALA A 119 1.009 -5.340 -9.758 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.981 -4.194 -8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.647 -4.303 -7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.040 -5.402 -7.496 1.00 0.00 H new