USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=25 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= -1.78! C(o=-1.7!,f=-2.7!) USER MOD Set 1.2: A 106 THR OG1 : rot -65:sc= 0.118 USER MOD Set 2.1: A 83 MET CE :methyl 144:sc= -1.61 (180deg=-0.995) USER MOD Set 2.2: A 111 SER OG : rot 37:sc= 0.65 USER MOD Set 3.1: A 64 ASN : amide:sc= -0.716 X(o=-2.2,f=-2.5) USER MOD Set 3.2: A 71 HIS :FLIP no HD1:sc= -1.53 X(o=-2.7,f=-2.2) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 68:sc= 1.27 USER MOD Single : A 30 THR OG1 : rot -120:sc= 0.134 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.5 F(o=-3!,f=-1.5) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 180:sc= -0.127 USER MOD Single : A 50 THR OG1 : rot -21:sc= 0.459 USER MOD Single : A 52 MET CE :methyl -161:sc= -0.0783 (180deg=-0.349) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.462 F(o=-1.4,f=-0.46) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 59 SER OG : rot -77:sc= -0.208 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.52 X(o=-2.5,f=-2.2!) USER MOD Single : A 69 ASN : amide:sc= -0.459 K(o=-0.46,f=-2.2!) USER MOD Single : A 72 GLN : amide:sc= -1.28 K(o=-1.3,f=-4!) USER MOD Single : A 75 ASN : amide:sc= -1.12! C(o=-1.1!,f=-8.1!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.78! C(o=-1.8!,f=-2.4!) USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.184) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 30:sc= -0.574 USER MOD Single : A 88 MET CE :methyl 173:sc= -1.11 (180deg=-1.12) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.558 F(o=-2.7!,f=-0.56) USER MOD Single : A 102 SER OG : rot -11:sc= 0.541 USER MOD Single : A 105 MET CE :methyl 162:sc= -1.5 (180deg=-2.95!) USER MOD Single : A 107 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.21) USER MOD Single : A 109 GLN :FLIP amide:sc=-0.00926 F(o=-0.59,f=-0.0093) USER MOD Single : A 118 LYS NZ :NH3+ -136:sc= 0.292 (180deg=-0.254) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 5.851 -12.238 9.744 1.00 0.00 N ATOM 197 CA ASP A 15 7.114 -12.966 9.791 1.00 0.00 C ATOM 198 C ASP A 15 8.297 -12.009 9.675 1.00 0.00 C ATOM 199 O ASP A 15 8.268 -11.037 8.920 1.00 0.00 O ATOM 200 CB ASP A 15 7.170 -14.005 8.670 1.00 0.00 C ATOM 201 CG ASP A 15 8.002 -15.216 9.044 1.00 0.00 C ATOM 202 OD1 ASP A 15 7.543 -16.013 9.888 1.00 0.00 O ATOM 203 OD2 ASP A 15 9.114 -15.365 8.494 1.00 0.00 O ATOM 0 HA ASP A 15 7.176 -13.477 10.752 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.157 -14.325 8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.585 -13.545 7.773 1.00 0.00 H new ATOM 208 N PRO A 16 9.362 -12.289 10.440 1.00 0.00 N ATOM 209 CA PRO A 16 10.575 -11.465 10.440 1.00 0.00 C ATOM 210 C PRO A 16 11.357 -11.583 9.137 1.00 0.00 C ATOM 211 O PRO A 16 12.318 -10.850 8.912 1.00 0.00 O ATOM 212 CB PRO A 16 11.388 -12.032 11.606 1.00 0.00 C ATOM 213 CG PRO A 16 10.920 -13.440 11.746 1.00 0.00 C ATOM 214 CD PRO A 16 9.466 -13.432 11.363 1.00 0.00 C ATOM 0 HA PRO A 16 10.347 -10.404 10.538 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.458 -11.989 11.400 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.216 -11.465 12.521 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.490 -14.107 11.100 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.053 -13.796 12.768 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.172 -14.365 10.882 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.822 -13.306 12.233 1.00 0.00 H new ATOM 222 N GLN A 17 10.938 -12.511 8.283 1.00 0.00 N ATOM 223 CA GLN A 17 11.600 -12.724 7.002 1.00 0.00 C ATOM 224 C GLN A 17 10.858 -12.007 5.879 1.00 0.00 C ATOM 225 O GLN A 17 11.469 -11.523 4.926 1.00 0.00 O ATOM 226 CB GLN A 17 11.693 -14.220 6.694 1.00 0.00 C ATOM 227 CG GLN A 17 12.942 -14.880 7.254 1.00 0.00 C ATOM 228 CD GLN A 17 12.866 -16.394 7.222 1.00 0.00 C ATOM 229 OE1 GLN A 17 12.095 -16.972 6.456 1.00 0.00 O ATOM 230 NE2 GLN A 17 13.669 -17.045 8.056 1.00 0.00 N ATOM 0 H GLN A 17 10.143 -13.127 8.455 1.00 0.00 H new ATOM 0 HA GLN A 17 12.606 -12.311 7.069 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.814 -14.721 7.100 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.670 -14.362 5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.810 -14.551 6.682 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.094 -14.549 8.281 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.292 -16.525 8.674 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.662 -18.065 8.079 1.00 0.00 H new ATOM 239 N LYS A 18 9.536 -11.943 5.996 1.00 0.00 N ATOM 240 CA LYS A 18 8.709 -11.284 4.993 1.00 0.00 C ATOM 241 C LYS A 18 8.942 -9.777 4.999 1.00 0.00 C ATOM 242 O LYS A 18 9.139 -9.166 3.949 1.00 0.00 O ATOM 243 CB LYS A 18 7.229 -11.583 5.245 1.00 0.00 C ATOM 244 CG LYS A 18 6.831 -13.010 4.908 1.00 0.00 C ATOM 245 CD LYS A 18 6.379 -13.136 3.463 1.00 0.00 C ATOM 246 CE LYS A 18 5.349 -14.243 3.297 1.00 0.00 C ATOM 247 NZ LYS A 18 5.987 -15.555 2.998 1.00 0.00 N ATOM 0 H LYS A 18 9.014 -12.340 6.777 1.00 0.00 H new ATOM 0 HA LYS A 18 8.991 -11.673 4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.001 -11.389 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.622 -10.896 4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.676 -13.676 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.027 -13.331 5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.954 -12.189 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.241 -13.341 2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.756 -14.327 4.208 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.662 -13.982 2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.251 -16.283 2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.532 -15.483 2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.624 -15.817 3.778 1.00 0.00 H new ATOM 261 N GLU A 19 8.920 -9.184 6.189 1.00 0.00 N ATOM 262 CA GLU A 19 9.130 -7.749 6.330 1.00 0.00 C ATOM 263 C GLU A 19 10.268 -7.273 5.430 1.00 0.00 C ATOM 264 O GLU A 19 10.166 -6.233 4.781 1.00 0.00 O ATOM 265 CB GLU A 19 9.439 -7.397 7.787 1.00 0.00 C ATOM 266 CG GLU A 19 9.471 -5.902 8.058 1.00 0.00 C ATOM 267 CD GLU A 19 9.601 -5.579 9.535 1.00 0.00 C ATOM 268 OE1 GLU A 19 10.308 -6.327 10.244 1.00 0.00 O ATOM 269 OE2 GLU A 19 8.999 -4.581 9.980 1.00 0.00 O ATOM 0 H GLU A 19 8.759 -9.675 7.068 1.00 0.00 H new ATOM 0 HA GLU A 19 8.213 -7.243 6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.690 -7.858 8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.402 -7.828 8.060 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.306 -5.456 7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.560 -5.446 7.669 1.00 0.00 H new ATOM 276 N ALA A 20 11.349 -8.043 5.396 1.00 0.00 N ATOM 277 CA ALA A 20 12.504 -7.704 4.576 1.00 0.00 C ATOM 278 C ALA A 20 12.169 -7.796 3.091 1.00 0.00 C ATOM 279 O ALA A 20 12.605 -6.965 2.295 1.00 0.00 O ATOM 280 CB ALA A 20 13.677 -8.613 4.911 1.00 0.00 C ATOM 0 H ALA A 20 11.449 -8.908 5.928 1.00 0.00 H new ATOM 0 HA ALA A 20 12.784 -6.674 4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.532 -8.347 4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.941 -8.494 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.399 -9.650 4.722 1.00 0.00 H new ATOM 286 N GLU A 21 11.393 -8.812 2.726 1.00 0.00 N ATOM 287 CA GLU A 21 11.001 -9.012 1.336 1.00 0.00 C ATOM 288 C GLU A 21 10.281 -7.782 0.791 1.00 0.00 C ATOM 289 O GLU A 21 10.525 -7.355 -0.338 1.00 0.00 O ATOM 290 CB GLU A 21 10.100 -10.243 1.209 1.00 0.00 C ATOM 291 CG GLU A 21 10.756 -11.529 1.681 1.00 0.00 C ATOM 292 CD GLU A 21 10.132 -12.764 1.061 1.00 0.00 C ATOM 293 OE1 GLU A 21 9.008 -13.126 1.466 1.00 0.00 O ATOM 294 OE2 GLU A 21 10.768 -13.369 0.173 1.00 0.00 O ATOM 0 H GLU A 21 11.024 -9.509 3.373 1.00 0.00 H new ATOM 0 HA GLU A 21 11.906 -9.171 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.189 -10.077 1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.802 -10.358 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.818 -11.502 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.680 -11.594 2.766 1.00 0.00 H new ATOM 301 N LEU A 22 9.392 -7.218 1.601 1.00 0.00 N ATOM 302 CA LEU A 22 8.634 -6.037 1.201 1.00 0.00 C ATOM 303 C LEU A 22 9.563 -4.852 0.953 1.00 0.00 C ATOM 304 O LEU A 22 9.731 -4.409 -0.182 1.00 0.00 O ATOM 305 CB LEU A 22 7.606 -5.678 2.276 1.00 0.00 C ATOM 306 CG LEU A 22 6.514 -6.717 2.533 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.687 -6.332 3.750 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.624 -6.870 1.309 1.00 0.00 C ATOM 0 H LEU A 22 9.178 -7.559 2.538 1.00 0.00 H new ATOM 0 HA LEU A 22 8.113 -6.267 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.136 -5.498 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.128 -4.740 1.995 1.00 0.00 H new ATOM 0 HG LEU A 22 6.992 -7.676 2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.915 -7.083 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.333 -6.275 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.219 -5.362 3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.853 -7.613 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.155 -5.914 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.226 -7.193 0.460 1.00 0.00 H new ATOM 320 N ARG A 23 10.165 -4.345 2.024 1.00 0.00 N ATOM 321 CA ARG A 23 11.077 -3.212 1.923 1.00 0.00 C ATOM 322 C ARG A 23 12.034 -3.389 0.748 1.00 0.00 C ATOM 323 O ARG A 23 12.357 -2.430 0.046 1.00 0.00 O ATOM 324 CB ARG A 23 11.872 -3.053 3.221 1.00 0.00 C ATOM 325 CG ARG A 23 12.672 -4.287 3.603 1.00 0.00 C ATOM 326 CD ARG A 23 13.797 -3.947 4.566 1.00 0.00 C ATOM 327 NE ARG A 23 14.688 -5.082 4.790 1.00 0.00 N ATOM 328 CZ ARG A 23 15.769 -5.027 5.561 1.00 0.00 C ATOM 329 NH1 ARG A 23 16.090 -3.898 6.179 1.00 0.00 N ATOM 330 NH2 ARG A 23 16.531 -6.102 5.716 1.00 0.00 N ATOM 0 H ARG A 23 10.038 -4.701 2.971 1.00 0.00 H new ATOM 0 HA ARG A 23 10.483 -2.313 1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.552 -2.207 3.119 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.184 -2.812 4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.011 -5.023 4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.087 -4.745 2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.371 -3.108 4.172 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.374 -3.625 5.518 1.00 0.00 H new ATOM 0 HE ARG A 23 14.469 -5.965 4.330 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.507 -3.069 6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.920 -3.858 6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.287 -6.972 5.243 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.360 -6.058 6.308 1.00 0.00 H new ATOM 344 N THR A 24 12.486 -4.622 0.538 1.00 0.00 N ATOM 345 CA THR A 24 13.406 -4.924 -0.550 1.00 0.00 C ATOM 346 C THR A 24 12.713 -4.814 -1.904 1.00 0.00 C ATOM 347 O THR A 24 13.341 -4.481 -2.908 1.00 0.00 O ATOM 348 CB THR A 24 14.003 -6.337 -0.406 1.00 0.00 C ATOM 349 OG1 THR A 24 14.673 -6.459 0.854 1.00 0.00 O ATOM 350 CG2 THR A 24 14.979 -6.630 -1.536 1.00 0.00 C ATOM 0 H THR A 24 12.229 -5.428 1.108 1.00 0.00 H new ATOM 0 HA THR A 24 14.210 -4.190 -0.495 1.00 0.00 H new ATOM 0 HB THR A 24 13.188 -7.059 -0.455 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.014 -6.434 1.579 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.388 -7.633 -1.413 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.459 -6.565 -2.492 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.790 -5.903 -1.514 1.00 0.00 H new ATOM 358 N TRP A 25 11.415 -5.094 -1.922 1.00 0.00 N ATOM 359 CA TRP A 25 10.636 -5.025 -3.153 1.00 0.00 C ATOM 360 C TRP A 25 10.169 -3.599 -3.424 1.00 0.00 C ATOM 361 O TRP A 25 9.997 -3.201 -4.576 1.00 0.00 O ATOM 362 CB TRP A 25 9.430 -5.963 -3.071 1.00 0.00 C ATOM 363 CG TRP A 25 8.294 -5.548 -3.956 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.217 -5.692 -5.312 1.00 0.00 C ATOM 365 CD2 TRP A 25 7.074 -4.920 -3.547 1.00 0.00 C ATOM 366 NE1 TRP A 25 7.023 -5.191 -5.771 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.303 -4.712 -4.708 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.557 -4.513 -2.314 1.00 0.00 C ATOM 369 CZ2 TRP A 25 5.045 -4.116 -4.669 1.00 0.00 C ATOM 370 CZ3 TRP A 25 5.308 -3.923 -2.277 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.564 -3.729 -3.448 1.00 0.00 C ATOM 0 H TRP A 25 10.880 -5.371 -1.099 1.00 0.00 H new ATOM 0 HA TRP A 25 11.277 -5.339 -3.977 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.744 -6.971 -3.343 1.00 0.00 H new ATOM 0 HB3 TRP A 25 9.081 -6.005 -2.039 1.00 0.00 H new ATOM 0 HD1 TRP A 25 8.982 -6.135 -5.932 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.721 -5.178 -6.745 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.124 -4.657 -1.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.470 -3.965 -5.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.898 -3.606 -1.329 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.591 -3.265 -3.386 1.00 0.00 H new ATOM 382 N ILE A 26 9.967 -2.835 -2.356 1.00 0.00 N ATOM 383 CA ILE A 26 9.522 -1.453 -2.480 1.00 0.00 C ATOM 384 C ILE A 26 10.699 -0.517 -2.737 1.00 0.00 C ATOM 385 O ILE A 26 10.668 0.293 -3.663 1.00 0.00 O ATOM 386 CB ILE A 26 8.777 -0.985 -1.215 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.709 -2.008 -0.819 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.149 0.381 -1.444 1.00 0.00 C ATOM 389 CD1 ILE A 26 7.073 -1.727 0.524 1.00 0.00 C ATOM 0 H ILE A 26 10.104 -3.150 -1.396 1.00 0.00 H new ATOM 0 HA ILE A 26 8.839 -1.417 -3.329 1.00 0.00 H new ATOM 0 HB ILE A 26 9.495 -0.901 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.932 -2.025 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.158 -3.001 -0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.627 0.697 -0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.928 1.104 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.441 0.322 -2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.326 -2.491 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.839 -1.739 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.594 -0.748 0.502 1.00 0.00 H new ATOM 401 N GLU A 27 11.734 -0.637 -1.912 1.00 0.00 N ATOM 402 CA GLU A 27 12.921 0.198 -2.052 1.00 0.00 C ATOM 403 C GLU A 27 13.362 0.278 -3.512 1.00 0.00 C ATOM 404 O GLU A 27 13.711 1.348 -4.009 1.00 0.00 O ATOM 405 CB GLU A 27 14.063 -0.351 -1.194 1.00 0.00 C ATOM 406 CG GLU A 27 14.014 0.114 0.253 1.00 0.00 C ATOM 407 CD GLU A 27 15.368 0.053 0.930 1.00 0.00 C ATOM 408 OE1 GLU A 27 15.756 -1.042 1.387 1.00 0.00 O ATOM 409 OE2 GLU A 27 16.041 1.104 1.005 1.00 0.00 O ATOM 0 H GLU A 27 11.775 -1.303 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 27 12.669 1.202 -1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.033 -1.440 -1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.014 -0.048 -1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.639 1.137 0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.307 -0.505 0.806 1.00 0.00 H new ATOM 416 N GLY A 28 13.343 -0.864 -4.193 1.00 0.00 N ATOM 417 CA GLY A 28 13.742 -0.903 -5.587 1.00 0.00 C ATOM 418 C GLY A 28 12.700 -0.299 -6.506 1.00 0.00 C ATOM 419 O GLY A 28 13.035 0.300 -7.529 1.00 0.00 O ATOM 0 H GLY A 28 13.058 -1.763 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.683 -0.366 -5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.925 -1.937 -5.880 1.00 0.00 H new ATOM 423 N LEU A 29 11.432 -0.455 -6.143 1.00 0.00 N ATOM 424 CA LEU A 29 10.335 0.078 -6.944 1.00 0.00 C ATOM 425 C LEU A 29 10.397 1.600 -7.007 1.00 0.00 C ATOM 426 O LEU A 29 10.468 2.186 -8.087 1.00 0.00 O ATOM 427 CB LEU A 29 8.990 -0.366 -6.363 1.00 0.00 C ATOM 428 CG LEU A 29 8.421 -1.673 -6.914 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.481 -2.314 -5.904 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.703 -1.429 -8.233 1.00 0.00 C ATOM 0 H LEU A 29 11.138 -0.946 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 29 10.433 -0.313 -7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.099 -0.467 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.262 0.426 -6.537 1.00 0.00 H new ATOM 0 HG LEU A 29 9.249 -2.359 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.086 -3.243 -6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.025 -2.526 -4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.658 -1.633 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.305 -2.371 -8.610 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.885 -0.725 -8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.404 -1.016 -8.958 1.00 0.00 H new ATOM 442 N THR A 30 10.372 2.237 -5.840 1.00 0.00 N ATOM 443 CA THR A 30 10.426 3.692 -5.762 1.00 0.00 C ATOM 444 C THR A 30 11.867 4.190 -5.788 1.00 0.00 C ATOM 445 O THR A 30 12.148 5.276 -6.293 1.00 0.00 O ATOM 446 CB THR A 30 9.739 4.212 -4.484 1.00 0.00 C ATOM 447 OG1 THR A 30 10.558 3.939 -3.341 1.00 0.00 O ATOM 448 CG2 THR A 30 8.374 3.564 -4.302 1.00 0.00 C ATOM 0 H THR A 30 10.315 1.768 -4.936 1.00 0.00 H new ATOM 0 HA THR A 30 9.895 4.076 -6.633 1.00 0.00 H new ATOM 0 HB THR A 30 9.603 5.289 -4.584 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.065 3.369 -2.714 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.908 3.946 -3.394 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.743 3.798 -5.160 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.492 2.483 -4.222 1.00 0.00 H new ATOM 456 N GLY A 31 12.776 3.388 -5.243 1.00 0.00 N ATOM 457 CA GLY A 31 14.177 3.766 -5.215 1.00 0.00 C ATOM 458 C GLY A 31 14.518 4.643 -4.028 1.00 0.00 C ATOM 459 O GLY A 31 15.586 5.257 -3.986 1.00 0.00 O ATOM 0 H GLY A 31 12.568 2.483 -4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.792 2.867 -5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.426 4.294 -6.136 1.00 0.00 H new ATOM 463 N LEU A 32 13.610 4.704 -3.059 1.00 0.00 N ATOM 464 CA LEU A 32 13.819 5.516 -1.865 1.00 0.00 C ATOM 465 C LEU A 32 14.337 4.663 -0.712 1.00 0.00 C ATOM 466 O LEU A 32 14.611 3.474 -0.880 1.00 0.00 O ATOM 467 CB LEU A 32 12.516 6.206 -1.458 1.00 0.00 C ATOM 468 CG LEU A 32 11.901 7.144 -2.497 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.444 7.426 -2.165 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.692 8.441 -2.578 1.00 0.00 C ATOM 0 H LEU A 32 12.723 4.201 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 32 14.567 6.274 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.783 5.438 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.699 6.775 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 32 11.942 6.655 -3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.023 8.095 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.885 6.490 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.379 7.895 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.240 9.097 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.682 8.934 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.721 8.222 -2.864 1.00 0.00 H new ATOM 482 N SER A 33 14.470 5.277 0.459 1.00 0.00 N ATOM 483 CA SER A 33 14.957 4.574 1.640 1.00 0.00 C ATOM 484 C SER A 33 13.963 4.694 2.792 1.00 0.00 C ATOM 485 O SER A 33 13.512 5.790 3.127 1.00 0.00 O ATOM 486 CB SER A 33 16.317 5.131 2.066 1.00 0.00 C ATOM 487 OG SER A 33 17.239 5.102 0.991 1.00 0.00 O ATOM 0 H SER A 33 14.247 6.260 0.615 1.00 0.00 H new ATOM 0 HA SER A 33 15.067 3.520 1.386 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.199 6.155 2.421 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.707 4.548 2.900 1.00 0.00 H new ATOM 0 HG SER A 33 18.100 5.465 1.288 1.00 0.00 H new ATOM 493 N ILE A 34 13.626 3.558 3.394 1.00 0.00 N ATOM 494 CA ILE A 34 12.687 3.534 4.509 1.00 0.00 C ATOM 495 C ILE A 34 13.381 3.882 5.821 1.00 0.00 C ATOM 496 O ILE A 34 12.818 4.572 6.669 1.00 0.00 O ATOM 497 CB ILE A 34 12.012 2.157 4.647 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.382 1.737 3.318 1.00 0.00 C ATOM 499 CG2 ILE A 34 10.965 2.187 5.751 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.348 0.239 3.111 1.00 0.00 C ATOM 0 H ILE A 34 13.989 2.643 3.128 1.00 0.00 H new ATOM 0 HA ILE A 34 11.925 4.283 4.295 1.00 0.00 H new ATOM 0 HB ILE A 34 12.772 1.423 4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.365 2.125 3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.938 2.196 2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.497 1.206 5.836 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.441 2.445 6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.206 2.932 5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.888 0.015 2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.365 -0.154 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.767 -0.225 3.908 1.00 0.00 H new ATOM 512 N GLY A 35 14.611 3.401 5.978 1.00 0.00 N ATOM 513 CA GLY A 35 15.364 3.673 7.189 1.00 0.00 C ATOM 514 C GLY A 35 15.553 2.436 8.045 1.00 0.00 C ATOM 515 O GLY A 35 15.201 1.324 7.652 1.00 0.00 O ATOM 0 H GLY A 35 15.099 2.829 5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.340 4.079 6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.848 4.438 7.770 1.00 0.00 H new ATOM 519 N PRO A 36 16.123 2.623 9.244 1.00 0.00 N ATOM 520 CA PRO A 36 16.372 1.525 10.182 1.00 0.00 C ATOM 521 C PRO A 36 15.084 0.963 10.772 1.00 0.00 C ATOM 522 O PRO A 36 15.103 -0.034 11.495 1.00 0.00 O ATOM 523 CB PRO A 36 17.221 2.177 11.276 1.00 0.00 C ATOM 524 CG PRO A 36 16.863 3.622 11.222 1.00 0.00 C ATOM 525 CD PRO A 36 16.568 3.921 9.778 1.00 0.00 C ATOM 0 HA PRO A 36 16.856 0.677 9.697 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.001 1.751 12.255 1.00 0.00 H new ATOM 0 HB3 PRO A 36 18.285 2.026 11.094 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.997 3.833 11.849 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.681 4.241 11.590 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.796 4.684 9.675 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.451 4.289 9.255 1.00 0.00 H new ATOM 533 N ASP A 37 13.965 1.608 10.462 1.00 0.00 N ATOM 534 CA ASP A 37 12.666 1.172 10.960 1.00 0.00 C ATOM 535 C ASP A 37 11.617 1.215 9.854 1.00 0.00 C ATOM 536 O ASP A 37 11.552 2.173 9.083 1.00 0.00 O ATOM 537 CB ASP A 37 12.226 2.049 12.134 1.00 0.00 C ATOM 538 CG ASP A 37 13.310 2.198 13.183 1.00 0.00 C ATOM 539 OD1 ASP A 37 14.252 2.986 12.955 1.00 0.00 O ATOM 540 OD2 ASP A 37 13.214 1.529 14.233 1.00 0.00 O ATOM 0 H ASP A 37 13.932 2.436 9.867 1.00 0.00 H new ATOM 0 HA ASP A 37 12.763 0.142 11.303 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.946 3.035 11.762 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.337 1.617 12.593 1.00 0.00 H new ATOM 545 N PHE A 38 10.796 0.172 9.783 1.00 0.00 N ATOM 546 CA PHE A 38 9.750 0.090 8.769 1.00 0.00 C ATOM 547 C PHE A 38 8.549 0.945 9.159 1.00 0.00 C ATOM 548 O PHE A 38 8.182 1.879 8.446 1.00 0.00 O ATOM 549 CB PHE A 38 9.315 -1.363 8.573 1.00 0.00 C ATOM 550 CG PHE A 38 8.653 -1.617 7.247 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.297 -1.291 6.065 1.00 0.00 C ATOM 552 CD2 PHE A 38 7.390 -2.180 7.185 1.00 0.00 C ATOM 553 CE1 PHE A 38 8.691 -1.522 4.844 1.00 0.00 C ATOM 554 CE2 PHE A 38 6.778 -2.414 5.968 1.00 0.00 C ATOM 555 CZ PHE A 38 7.431 -2.086 4.796 1.00 0.00 C ATOM 0 H PHE A 38 10.835 -0.628 10.415 1.00 0.00 H new ATOM 0 HA PHE A 38 10.155 0.470 7.831 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.187 -2.011 8.665 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.627 -1.639 9.372 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.283 -0.852 6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.876 -2.440 8.099 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.202 -1.262 3.929 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.792 -2.852 5.934 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.957 -2.270 3.843 1.00 0.00 H new ATOM 565 N GLN A 39 7.939 0.618 10.293 1.00 0.00 N ATOM 566 CA GLN A 39 6.778 1.355 10.777 1.00 0.00 C ATOM 567 C GLN A 39 6.984 2.858 10.622 1.00 0.00 C ATOM 568 O GLN A 39 6.153 3.552 10.035 1.00 0.00 O ATOM 569 CB GLN A 39 6.504 1.014 12.243 1.00 0.00 C ATOM 570 CG GLN A 39 5.244 1.662 12.794 1.00 0.00 C ATOM 571 CD GLN A 39 5.509 3.022 13.409 1.00 0.00 C ATOM 572 OE1 GLN A 39 5.148 4.078 12.690 1.00 0.00 O flip ATOM 573 NE2 GLN A 39 6.032 3.123 14.519 1.00 0.00 N flip ATOM 0 H GLN A 39 8.230 -0.153 10.894 1.00 0.00 H new ATOM 0 HA GLN A 39 5.917 1.061 10.177 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.421 -0.068 12.346 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.357 1.327 12.846 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.513 1.766 11.992 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.802 1.008 13.545 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.294 2.285 15.038 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.203 4.045 14.920 1.00 0.00 H new ATOM 582 N LYS A 40 8.095 3.355 11.153 1.00 0.00 N ATOM 583 CA LYS A 40 8.412 4.777 11.074 1.00 0.00 C ATOM 584 C LYS A 40 8.687 5.193 9.632 1.00 0.00 C ATOM 585 O LYS A 40 7.949 5.990 9.055 1.00 0.00 O ATOM 586 CB LYS A 40 9.625 5.099 11.949 1.00 0.00 C ATOM 587 CG LYS A 40 9.334 5.036 13.439 1.00 0.00 C ATOM 588 CD LYS A 40 9.409 3.612 13.963 1.00 0.00 C ATOM 589 CE LYS A 40 9.457 3.579 15.483 1.00 0.00 C ATOM 590 NZ LYS A 40 10.820 3.880 16.001 1.00 0.00 N ATOM 0 H LYS A 40 8.792 2.794 11.643 1.00 0.00 H new ATOM 0 HA LYS A 40 7.551 5.337 11.438 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.428 4.400 11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.988 6.096 11.700 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.048 5.660 13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.343 5.445 13.634 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.544 3.048 13.613 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.294 3.121 13.559 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.748 4.303 15.885 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.143 2.596 15.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.811 3.848 17.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.493 3.175 15.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.109 4.828 15.686 1.00 0.00 H new ATOM 604 N GLY A 41 9.754 4.647 9.056 1.00 0.00 N ATOM 605 CA GLY A 41 10.106 4.974 7.687 1.00 0.00 C ATOM 606 C GLY A 41 8.888 5.149 6.801 1.00 0.00 C ATOM 607 O GLY A 41 8.921 5.906 5.830 1.00 0.00 O ATOM 0 H GLY A 41 10.380 3.984 9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.695 5.891 7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.738 4.185 7.279 1.00 0.00 H new ATOM 611 N LEU A 42 7.811 4.447 7.134 1.00 0.00 N ATOM 612 CA LEU A 42 6.577 4.527 6.360 1.00 0.00 C ATOM 613 C LEU A 42 5.570 5.452 7.036 1.00 0.00 C ATOM 614 O LEU A 42 4.788 6.131 6.369 1.00 0.00 O ATOM 615 CB LEU A 42 5.969 3.134 6.187 1.00 0.00 C ATOM 616 CG LEU A 42 6.906 2.058 5.636 1.00 0.00 C ATOM 617 CD1 LEU A 42 6.202 0.710 5.593 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.406 2.444 4.252 1.00 0.00 C ATOM 0 H LEU A 42 7.767 3.816 7.934 1.00 0.00 H new ATOM 0 HA LEU A 42 6.818 4.936 5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.594 2.800 7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.109 3.214 5.522 1.00 0.00 H new ATOM 0 HG LEU A 42 7.766 1.976 6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.883 -0.044 5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.893 0.429 6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.325 0.778 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.071 1.667 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.558 2.554 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.948 3.388 4.311 1.00 0.00 H new ATOM 630 N LYS A 43 5.596 5.477 8.364 1.00 0.00 N ATOM 631 CA LYS A 43 4.688 6.323 9.132 1.00 0.00 C ATOM 632 C LYS A 43 4.473 7.663 8.436 1.00 0.00 C ATOM 633 O LYS A 43 3.396 7.933 7.907 1.00 0.00 O ATOM 634 CB LYS A 43 5.239 6.549 10.541 1.00 0.00 C ATOM 635 CG LYS A 43 4.337 7.402 11.417 1.00 0.00 C ATOM 636 CD LYS A 43 5.125 8.115 12.502 1.00 0.00 C ATOM 637 CE LYS A 43 4.254 9.097 13.271 1.00 0.00 C ATOM 638 NZ LYS A 43 5.067 10.035 14.092 1.00 0.00 N ATOM 0 H LYS A 43 6.236 4.921 8.932 1.00 0.00 H new ATOM 0 HA LYS A 43 3.727 5.813 9.202 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.391 5.583 11.022 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.217 7.026 10.468 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.819 8.136 10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.573 6.774 11.875 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.543 7.381 13.191 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.965 8.646 12.054 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.642 9.665 12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.571 8.547 13.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.436 10.687 14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.632 9.495 14.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.701 10.579 13.472 1.00 0.00 H new ATOM 652 N ASP A 44 5.506 8.498 8.440 1.00 0.00 N ATOM 653 CA ASP A 44 5.431 9.810 7.807 1.00 0.00 C ATOM 654 C ASP A 44 4.559 9.760 6.556 1.00 0.00 C ATOM 655 O ASP A 44 3.872 10.726 6.228 1.00 0.00 O ATOM 656 CB ASP A 44 6.832 10.308 7.449 1.00 0.00 C ATOM 657 CG ASP A 44 6.866 11.799 7.183 1.00 0.00 C ATOM 658 OD1 ASP A 44 6.207 12.552 7.931 1.00 0.00 O ATOM 659 OD2 ASP A 44 7.553 12.216 6.226 1.00 0.00 O ATOM 0 H ASP A 44 6.405 8.290 8.874 1.00 0.00 H new ATOM 0 HA ASP A 44 4.978 10.503 8.516 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.517 10.071 8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.189 9.776 6.567 1.00 0.00 H new ATOM 664 N GLY A 45 4.596 8.628 5.861 1.00 0.00 N ATOM 665 CA GLY A 45 3.806 8.474 4.653 1.00 0.00 C ATOM 666 C GLY A 45 4.443 9.148 3.454 1.00 0.00 C ATOM 667 O GLY A 45 3.785 9.898 2.731 1.00 0.00 O ATOM 0 H GLY A 45 5.158 7.815 6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.674 7.413 4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.813 8.893 4.816 1.00 0.00 H new ATOM 671 N THR A 46 5.727 8.882 3.241 1.00 0.00 N ATOM 672 CA THR A 46 6.455 9.471 2.123 1.00 0.00 C ATOM 673 C THR A 46 6.671 8.452 1.011 1.00 0.00 C ATOM 674 O THR A 46 6.363 8.715 -0.153 1.00 0.00 O ATOM 675 CB THR A 46 7.821 10.024 2.570 1.00 0.00 C ATOM 676 OG1 THR A 46 8.519 9.040 3.343 1.00 0.00 O ATOM 677 CG2 THR A 46 7.649 11.293 3.392 1.00 0.00 C ATOM 0 H THR A 46 6.285 8.262 3.828 1.00 0.00 H new ATOM 0 HA THR A 46 5.845 10.292 1.747 1.00 0.00 H new ATOM 0 HB THR A 46 8.400 10.263 1.678 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.387 9.399 3.622 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.627 11.665 3.696 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.144 12.050 2.792 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.052 11.075 4.278 1.00 0.00 H new ATOM 685 N ILE A 47 7.201 7.289 1.374 1.00 0.00 N ATOM 686 CA ILE A 47 7.457 6.231 0.406 1.00 0.00 C ATOM 687 C ILE A 47 6.169 5.501 0.036 1.00 0.00 C ATOM 688 O ILE A 47 5.809 5.412 -1.139 1.00 0.00 O ATOM 689 CB ILE A 47 8.475 5.209 0.945 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.787 5.906 1.309 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.719 4.112 -0.081 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.533 5.238 2.441 1.00 0.00 C ATOM 0 H ILE A 47 7.461 7.056 2.332 1.00 0.00 H new ATOM 0 HA ILE A 47 7.870 6.709 -0.482 1.00 0.00 H new ATOM 0 HB ILE A 47 8.066 4.752 1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.429 5.935 0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.576 6.939 1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.441 3.398 0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.781 3.599 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.110 4.552 -0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.453 5.786 2.644 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.909 5.232 3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.776 4.213 2.162 1.00 0.00 H new ATOM 704 N LEU A 48 5.478 4.984 1.045 1.00 0.00 N ATOM 705 CA LEU A 48 4.228 4.264 0.827 1.00 0.00 C ATOM 706 C LEU A 48 3.473 4.834 -0.370 1.00 0.00 C ATOM 707 O LEU A 48 2.952 4.088 -1.200 1.00 0.00 O ATOM 708 CB LEU A 48 3.351 4.334 2.078 1.00 0.00 C ATOM 709 CG LEU A 48 3.773 3.441 3.245 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.880 3.683 4.453 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.734 1.975 2.837 1.00 0.00 C ATOM 0 H LEU A 48 5.762 5.050 2.023 1.00 0.00 H new ATOM 0 HA LEU A 48 4.469 3.222 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.331 5.367 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.331 4.072 1.797 1.00 0.00 H new ATOM 0 HG LEU A 48 4.797 3.695 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.195 3.039 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.958 4.726 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.846 3.458 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.037 1.354 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.721 1.708 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.416 1.811 2.002 1.00 0.00 H new ATOM 723 N CYS A 49 3.420 6.158 -0.453 1.00 0.00 N ATOM 724 CA CYS A 49 2.730 6.828 -1.550 1.00 0.00 C ATOM 725 C CYS A 49 3.383 6.495 -2.888 1.00 0.00 C ATOM 726 O CYS A 49 2.748 5.927 -3.776 1.00 0.00 O ATOM 727 CB CYS A 49 2.732 8.342 -1.331 1.00 0.00 C ATOM 728 SG CYS A 49 1.626 8.898 -0.013 1.00 0.00 S ATOM 0 H CYS A 49 3.846 6.789 0.226 1.00 0.00 H new ATOM 0 HA CYS A 49 1.700 6.472 -1.571 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.747 8.663 -1.099 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.447 8.833 -2.261 1.00 0.00 H new ATOM 0 HG CYS A 49 1.699 10.191 0.098 1.00 0.00 H new ATOM 734 N THR A 50 4.656 6.853 -3.025 1.00 0.00 N ATOM 735 CA THR A 50 5.395 6.595 -4.254 1.00 0.00 C ATOM 736 C THR A 50 5.237 5.145 -4.697 1.00 0.00 C ATOM 737 O THR A 50 4.909 4.869 -5.851 1.00 0.00 O ATOM 738 CB THR A 50 6.894 6.908 -4.085 1.00 0.00 C ATOM 739 OG1 THR A 50 7.394 6.283 -2.899 1.00 0.00 O ATOM 740 CG2 THR A 50 7.128 8.409 -4.011 1.00 0.00 C ATOM 0 H THR A 50 5.197 7.323 -2.299 1.00 0.00 H new ATOM 0 HA THR A 50 4.978 7.252 -5.017 1.00 0.00 H new ATOM 0 HB THR A 50 7.425 6.516 -4.953 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.648 6.082 -2.296 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.193 8.606 -3.892 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.773 8.878 -4.928 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.586 8.820 -3.160 1.00 0.00 H new ATOM 748 N LEU A 51 5.471 4.221 -3.771 1.00 0.00 N ATOM 749 CA LEU A 51 5.354 2.796 -4.065 1.00 0.00 C ATOM 750 C LEU A 51 4.145 2.522 -4.955 1.00 0.00 C ATOM 751 O LEU A 51 4.254 1.842 -5.974 1.00 0.00 O ATOM 752 CB LEU A 51 5.239 1.995 -2.767 1.00 0.00 C ATOM 753 CG LEU A 51 4.741 0.556 -2.909 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.710 -0.264 -3.745 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.547 -0.078 -1.539 1.00 0.00 C ATOM 0 H LEU A 51 5.743 4.433 -2.811 1.00 0.00 H new ATOM 0 HA LEU A 51 6.252 2.484 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.218 1.974 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.566 2.526 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 51 3.778 0.573 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.339 -1.285 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.799 0.179 -4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.688 -0.274 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.192 -1.102 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.496 -0.083 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.814 0.496 -0.973 1.00 0.00 H new ATOM 767 N MET A 52 2.994 3.058 -4.561 1.00 0.00 N ATOM 768 CA MET A 52 1.765 2.873 -5.325 1.00 0.00 C ATOM 769 C MET A 52 1.880 3.515 -6.704 1.00 0.00 C ATOM 770 O MET A 52 1.668 2.861 -7.723 1.00 0.00 O ATOM 771 CB MET A 52 0.576 3.469 -4.569 1.00 0.00 C ATOM 772 CG MET A 52 -0.763 2.875 -4.978 1.00 0.00 C ATOM 773 SD MET A 52 -0.813 1.082 -4.789 1.00 0.00 S ATOM 774 CE MET A 52 -1.612 0.604 -6.319 1.00 0.00 C ATOM 0 H MET A 52 2.887 3.623 -3.719 1.00 0.00 H new ATOM 0 HA MET A 52 1.604 1.803 -5.455 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.721 3.315 -3.500 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.553 4.546 -4.736 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.554 3.322 -4.376 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.969 3.133 -6.017 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.018 -0.403 -6.219 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.421 1.301 -6.540 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.885 0.623 -7.131 1.00 0.00 H new ATOM 784 N ASN A 53 2.216 4.801 -6.726 1.00 0.00 N ATOM 785 CA ASN A 53 2.358 5.532 -7.980 1.00 0.00 C ATOM 786 C ASN A 53 3.141 4.714 -9.002 1.00 0.00 C ATOM 787 O ASN A 53 2.872 4.774 -10.200 1.00 0.00 O ATOM 788 CB ASN A 53 3.058 6.871 -7.738 1.00 0.00 C ATOM 789 CG ASN A 53 2.078 7.993 -7.454 1.00 0.00 C ATOM 790 OD1 ASN A 53 2.316 8.726 -6.371 1.00 0.00 O flip ATOM 791 ND2 ASN A 53 1.119 8.198 -8.198 1.00 0.00 N flip ATOM 0 H ASN A 53 2.395 5.358 -5.890 1.00 0.00 H new ATOM 0 HA ASN A 53 1.360 5.718 -8.378 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.746 6.772 -6.898 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.657 7.128 -8.612 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.975 7.610 -9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.468 8.956 -7.994 1.00 0.00 H new ATOM 798 N LYS A 54 4.112 3.947 -8.517 1.00 0.00 N ATOM 799 CA LYS A 54 4.935 3.113 -9.386 1.00 0.00 C ATOM 800 C LYS A 54 4.088 2.059 -10.089 1.00 0.00 C ATOM 801 O LYS A 54 4.215 1.847 -11.296 1.00 0.00 O ATOM 802 CB LYS A 54 6.044 2.437 -8.577 1.00 0.00 C ATOM 803 CG LYS A 54 6.970 3.415 -7.876 1.00 0.00 C ATOM 804 CD LYS A 54 7.827 4.181 -8.871 1.00 0.00 C ATOM 805 CE LYS A 54 8.178 5.567 -8.352 1.00 0.00 C ATOM 806 NZ LYS A 54 7.049 6.524 -8.524 1.00 0.00 N ATOM 0 H LYS A 54 4.348 3.886 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 54 5.386 3.754 -10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.591 1.782 -7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.633 1.805 -9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.381 4.117 -7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.613 2.875 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.742 3.623 -9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.295 4.270 -9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.443 5.504 -7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.055 5.941 -8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.326 7.457 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.812 6.604 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.219 6.180 -8.000 1.00 0.00 H new ATOM 820 N LEU A 55 3.222 1.398 -9.329 1.00 0.00 N ATOM 821 CA LEU A 55 2.351 0.366 -9.880 1.00 0.00 C ATOM 822 C LEU A 55 1.212 0.985 -10.684 1.00 0.00 C ATOM 823 O LEU A 55 0.919 0.551 -11.797 1.00 0.00 O ATOM 824 CB LEU A 55 1.783 -0.503 -8.756 1.00 0.00 C ATOM 825 CG LEU A 55 2.782 -0.963 -7.694 1.00 0.00 C ATOM 826 CD1 LEU A 55 2.061 -1.665 -6.552 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.829 -1.881 -8.308 1.00 0.00 C ATOM 0 H LEU A 55 3.104 1.559 -8.329 1.00 0.00 H new ATOM 0 HA LEU A 55 2.946 -0.257 -10.548 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.987 0.053 -8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.325 -1.386 -9.202 1.00 0.00 H new ATOM 0 HG LEU A 55 3.287 -0.084 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.788 -1.986 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.349 -0.978 -6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.529 -2.535 -6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.531 -2.198 -7.537 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.340 -2.756 -8.736 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.367 -1.347 -9.091 1.00 0.00 H new ATOM 839 N GLN A 56 0.576 2.003 -10.112 1.00 0.00 N ATOM 840 CA GLN A 56 -0.529 2.683 -10.777 1.00 0.00 C ATOM 841 C GLN A 56 -0.160 4.126 -11.108 1.00 0.00 C ATOM 842 O GLN A 56 0.242 4.904 -10.242 1.00 0.00 O ATOM 843 CB GLN A 56 -1.779 2.653 -9.896 1.00 0.00 C ATOM 844 CG GLN A 56 -2.865 3.615 -10.347 1.00 0.00 C ATOM 845 CD GLN A 56 -4.260 3.103 -10.046 1.00 0.00 C ATOM 846 OE1 GLN A 56 -4.959 2.613 -10.933 1.00 0.00 O ATOM 847 NE2 GLN A 56 -4.672 3.213 -8.788 1.00 0.00 N ATOM 0 H GLN A 56 0.807 2.374 -9.191 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.738 2.157 -11.709 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.183 1.641 -9.887 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.496 2.892 -8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.721 4.577 -9.854 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.769 3.789 -11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.059 3.626 -8.085 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.601 2.885 -8.525 1.00 0.00 H new ATOM 856 N PRO A 57 -0.300 4.494 -12.390 1.00 0.00 N ATOM 857 CA PRO A 57 0.012 5.846 -12.864 1.00 0.00 C ATOM 858 C PRO A 57 -0.982 6.882 -12.356 1.00 0.00 C ATOM 859 O PRO A 57 -0.903 8.059 -12.709 1.00 0.00 O ATOM 860 CB PRO A 57 -0.079 5.717 -14.387 1.00 0.00 C ATOM 861 CG PRO A 57 -1.005 4.573 -14.615 1.00 0.00 C ATOM 862 CD PRO A 57 -0.774 3.619 -13.476 1.00 0.00 C ATOM 0 HA PRO A 57 0.984 6.189 -12.509 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.461 6.632 -14.840 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.900 5.528 -14.828 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.042 4.909 -14.638 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.804 4.093 -15.573 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.688 3.094 -13.199 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.035 2.859 -13.731 1.00 0.00 H new ATOM 870 N GLY A 58 -1.920 6.439 -11.524 1.00 0.00 N ATOM 871 CA GLY A 58 -2.917 7.343 -10.980 1.00 0.00 C ATOM 872 C GLY A 58 -3.463 6.870 -9.647 1.00 0.00 C ATOM 873 O GLY A 58 -4.671 6.702 -9.488 1.00 0.00 O ATOM 0 H GLY A 58 -2.007 5.470 -11.217 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.477 8.333 -10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.738 7.444 -11.690 1.00 0.00 H new ATOM 877 N SER A 59 -2.568 6.653 -8.687 1.00 0.00 N ATOM 878 CA SER A 59 -2.968 6.191 -7.362 1.00 0.00 C ATOM 879 C SER A 59 -2.979 7.346 -6.366 1.00 0.00 C ATOM 880 O SER A 59 -4.027 7.711 -5.833 1.00 0.00 O ATOM 881 CB SER A 59 -2.019 5.092 -6.876 1.00 0.00 C ATOM 882 OG SER A 59 -0.707 5.297 -7.366 1.00 0.00 O ATOM 0 H SER A 59 -1.564 6.789 -8.802 1.00 0.00 H new ATOM 0 HA SER A 59 -3.977 5.786 -7.433 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.005 5.075 -5.786 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.385 4.120 -7.205 1.00 0.00 H new ATOM 0 HG SER A 59 -0.661 5.020 -8.305 1.00 0.00 H new ATOM 888 N VAL A 60 -1.805 7.917 -6.118 1.00 0.00 N ATOM 889 CA VAL A 60 -1.679 9.031 -5.186 1.00 0.00 C ATOM 890 C VAL A 60 -1.580 10.360 -5.927 1.00 0.00 C ATOM 891 O VAL A 60 -0.760 10.537 -6.829 1.00 0.00 O ATOM 892 CB VAL A 60 -0.444 8.868 -4.280 1.00 0.00 C ATOM 893 CG1 VAL A 60 -0.309 10.060 -3.343 1.00 0.00 C ATOM 894 CG2 VAL A 60 -0.529 7.569 -3.494 1.00 0.00 C ATOM 0 H VAL A 60 -0.928 7.627 -6.549 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.577 9.029 -4.568 1.00 0.00 H new ATOM 0 HB VAL A 60 0.445 8.828 -4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.569 9.928 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.200 10.973 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.199 10.134 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.351 7.470 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.425 7.577 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.574 6.728 -4.185 1.00 0.00 H new ATOM 904 N PRO A 61 -2.434 11.319 -5.541 1.00 0.00 N ATOM 905 CA PRO A 61 -2.462 12.650 -6.156 1.00 0.00 C ATOM 906 C PRO A 61 -1.226 13.474 -5.809 1.00 0.00 C ATOM 907 O PRO A 61 -0.562 14.017 -6.692 1.00 0.00 O ATOM 908 CB PRO A 61 -3.717 13.291 -5.557 1.00 0.00 C ATOM 909 CG PRO A 61 -3.920 12.587 -4.260 1.00 0.00 C ATOM 910 CD PRO A 61 -3.438 11.178 -4.473 1.00 0.00 C ATOM 0 HA PRO A 61 -2.472 12.596 -7.245 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.582 14.362 -5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.578 13.166 -6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.362 13.074 -3.460 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.970 12.600 -3.969 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.003 10.761 -3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.251 10.516 -4.771 1.00 0.00 H new ATOM 918 N LYS A 62 -0.922 13.563 -4.519 1.00 0.00 N ATOM 919 CA LYS A 62 0.235 14.318 -4.056 1.00 0.00 C ATOM 920 C LYS A 62 0.749 13.767 -2.729 1.00 0.00 C ATOM 921 O LYS A 62 -0.006 13.176 -1.958 1.00 0.00 O ATOM 922 CB LYS A 62 -0.126 15.798 -3.900 1.00 0.00 C ATOM 923 CG LYS A 62 1.063 16.732 -4.050 1.00 0.00 C ATOM 924 CD LYS A 62 1.731 17.004 -2.712 1.00 0.00 C ATOM 925 CE LYS A 62 2.410 18.365 -2.695 1.00 0.00 C ATOM 926 NZ LYS A 62 1.438 19.467 -2.455 1.00 0.00 N ATOM 0 H LYS A 62 -1.462 13.121 -3.775 1.00 0.00 H new ATOM 0 HA LYS A 62 1.025 14.219 -4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.879 16.060 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.577 15.952 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.787 16.293 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.734 17.673 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.987 16.957 -1.917 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.467 16.226 -2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.175 18.380 -1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.918 18.529 -3.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.940 20.378 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.723 19.469 -3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.971 19.325 -1.536 1.00 0.00 H new ATOM 940 N ILE A 63 2.038 13.967 -2.471 1.00 0.00 N ATOM 941 CA ILE A 63 2.651 13.492 -1.236 1.00 0.00 C ATOM 942 C ILE A 63 3.001 14.654 -0.314 1.00 0.00 C ATOM 943 O ILE A 63 3.682 15.597 -0.718 1.00 0.00 O ATOM 944 CB ILE A 63 3.924 12.674 -1.519 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.579 11.404 -2.299 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.630 12.326 -0.217 1.00 0.00 C ATOM 947 CD1 ILE A 63 4.772 10.766 -2.975 1.00 0.00 C ATOM 0 H ILE A 63 2.677 14.454 -3.100 1.00 0.00 H new ATOM 0 HA ILE A 63 1.918 12.851 -0.746 1.00 0.00 H new ATOM 0 HB ILE A 63 4.598 13.278 -2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.128 10.681 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.829 11.643 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.528 11.748 -0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.906 13.243 0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.963 11.738 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.452 9.871 -3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.211 11.472 -3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.514 10.495 -2.224 1.00 0.00 H new ATOM 959 N ASN A 64 2.532 14.580 0.927 1.00 0.00 N ATOM 960 CA ASN A 64 2.797 15.626 1.909 1.00 0.00 C ATOM 961 C ASN A 64 4.146 15.407 2.586 1.00 0.00 C ATOM 962 O ASN A 64 4.310 14.482 3.383 1.00 0.00 O ATOM 963 CB ASN A 64 1.686 15.661 2.959 1.00 0.00 C ATOM 964 CG ASN A 64 0.330 15.973 2.357 1.00 0.00 C ATOM 965 OD1 ASN A 64 0.237 16.597 1.299 1.00 0.00 O ATOM 966 ND2 ASN A 64 -0.731 15.540 3.029 1.00 0.00 N ATOM 0 H ASN A 64 1.966 13.807 1.277 1.00 0.00 H new ATOM 0 HA ASN A 64 2.824 16.582 1.387 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.641 14.698 3.469 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.926 16.410 3.713 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.669 15.721 2.672 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.607 15.027 3.902 1.00 0.00 H new ATOM 973 N ARG A 65 5.110 16.264 2.264 1.00 0.00 N ATOM 974 CA ARG A 65 6.446 16.164 2.841 1.00 0.00 C ATOM 975 C ARG A 65 6.590 17.095 4.041 1.00 0.00 C ATOM 976 O ARG A 65 7.614 17.758 4.206 1.00 0.00 O ATOM 977 CB ARG A 65 7.504 16.502 1.790 1.00 0.00 C ATOM 978 CG ARG A 65 7.470 15.588 0.576 1.00 0.00 C ATOM 979 CD ARG A 65 8.833 15.499 -0.093 1.00 0.00 C ATOM 980 NE ARG A 65 8.728 15.130 -1.502 1.00 0.00 N ATOM 981 CZ ARG A 65 9.779 14.917 -2.286 1.00 0.00 C ATOM 982 NH1 ARG A 65 11.007 15.037 -1.802 1.00 0.00 N ATOM 983 NH2 ARG A 65 9.602 14.583 -3.559 1.00 0.00 N ATOM 0 H ARG A 65 4.991 17.035 1.607 1.00 0.00 H new ATOM 0 HA ARG A 65 6.594 15.138 3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.363 17.532 1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.491 16.446 2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.146 14.592 0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.736 15.959 -0.139 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.343 16.459 -0.007 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.446 14.764 0.429 1.00 0.00 H new ATOM 0 HE ARG A 65 7.797 15.030 -1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.147 15.294 -0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.812 14.873 -2.407 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.659 14.490 -3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.409 14.420 -4.160 1.00 0.00 H new ATOM 997 N SER A 66 5.557 17.138 4.877 1.00 0.00 N ATOM 998 CA SER A 66 5.567 17.991 6.060 1.00 0.00 C ATOM 999 C SER A 66 5.651 17.153 7.333 1.00 0.00 C ATOM 1000 O SER A 66 5.130 16.040 7.392 1.00 0.00 O ATOM 1001 CB SER A 66 4.314 18.867 6.094 1.00 0.00 C ATOM 1002 OG SER A 66 4.256 19.719 4.964 1.00 0.00 O ATOM 0 H SER A 66 4.703 16.593 4.757 1.00 0.00 H new ATOM 0 HA SER A 66 6.447 18.632 6.008 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.426 18.236 6.123 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.310 19.465 7.005 1.00 0.00 H new ATOM 0 HG SER A 66 3.445 20.267 5.009 1.00 0.00 H new ATOM 1008 N MET A 67 6.311 17.698 8.350 1.00 0.00 N ATOM 1009 CA MET A 67 6.462 17.001 9.623 1.00 0.00 C ATOM 1010 C MET A 67 5.254 17.244 10.522 1.00 0.00 C ATOM 1011 O MET A 67 5.401 17.492 11.719 1.00 0.00 O ATOM 1012 CB MET A 67 7.739 17.459 10.330 1.00 0.00 C ATOM 1013 CG MET A 67 9.012 16.947 9.675 1.00 0.00 C ATOM 1014 SD MET A 67 9.514 17.943 8.260 1.00 0.00 S ATOM 1015 CE MET A 67 11.086 17.185 7.853 1.00 0.00 C ATOM 0 H MET A 67 6.749 18.619 8.318 1.00 0.00 H new ATOM 0 HA MET A 67 6.531 15.933 9.419 1.00 0.00 H new ATOM 0 HB2 MET A 67 7.763 18.549 10.350 1.00 0.00 H new ATOM 0 HB3 MET A 67 7.712 17.122 11.366 1.00 0.00 H new ATOM 0 HG2 MET A 67 9.816 16.937 10.411 1.00 0.00 H new ATOM 0 HG3 MET A 67 8.861 15.916 9.354 1.00 0.00 H new ATOM 0 HE1 MET A 67 11.523 17.693 6.994 1.00 0.00 H new ATOM 0 HE2 MET A 67 11.761 17.267 8.705 1.00 0.00 H new ATOM 0 HE3 MET A 67 10.931 16.133 7.613 1.00 0.00 H new ATOM 1025 N GLN A 68 4.062 17.172 9.937 1.00 0.00 N ATOM 1026 CA GLN A 68 2.830 17.386 10.688 1.00 0.00 C ATOM 1027 C GLN A 68 2.026 16.093 10.793 1.00 0.00 C ATOM 1028 O GLN A 68 2.211 15.170 10.001 1.00 0.00 O ATOM 1029 CB GLN A 68 1.985 18.472 10.022 1.00 0.00 C ATOM 1030 CG GLN A 68 2.675 19.826 9.958 1.00 0.00 C ATOM 1031 CD GLN A 68 3.019 20.370 11.330 1.00 0.00 C ATOM 1032 OE1 GLN A 68 2.250 21.127 11.922 1.00 0.00 O ATOM 1033 NE2 GLN A 68 4.181 19.985 11.845 1.00 0.00 N ATOM 0 H GLN A 68 3.923 16.968 8.947 1.00 0.00 H new ATOM 0 HA GLN A 68 3.098 17.709 11.694 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.732 18.154 9.011 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.047 18.577 10.568 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.587 19.737 9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.028 20.535 9.442 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.788 19.356 11.320 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.466 20.318 12.766 1.00 0.00 H new ATOM 1042 N ASN A 69 1.136 16.035 11.777 1.00 0.00 N ATOM 1043 CA ASN A 69 0.304 14.856 11.987 1.00 0.00 C ATOM 1044 C ASN A 69 -0.716 14.702 10.864 1.00 0.00 C ATOM 1045 O ASN A 69 -0.680 13.732 10.107 1.00 0.00 O ATOM 1046 CB ASN A 69 -0.414 14.946 13.335 1.00 0.00 C ATOM 1047 CG ASN A 69 0.459 14.490 14.488 1.00 0.00 C ATOM 1048 OD1 ASN A 69 1.622 14.133 14.297 1.00 0.00 O ATOM 1049 ND2 ASN A 69 -0.098 14.500 15.693 1.00 0.00 N ATOM 0 H ASN A 69 0.972 16.791 12.442 1.00 0.00 H new ATOM 0 HA ASN A 69 0.953 13.980 11.986 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.730 15.975 13.507 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.317 14.336 13.304 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.441 14.204 16.507 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.065 14.804 15.805 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.625 15.666 10.761 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.655 15.638 9.730 1.00 0.00 C ATOM 1058 C TRP A 70 -2.067 15.228 8.384 1.00 0.00 C ATOM 1059 O TRP A 70 -2.549 14.295 7.743 1.00 0.00 O ATOM 1060 CB TRP A 70 -3.325 17.008 9.611 1.00 0.00 C ATOM 1061 CG TRP A 70 -2.358 18.150 9.696 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -1.653 18.706 8.667 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -1.991 18.877 10.874 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -0.868 19.732 9.134 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -1.059 19.859 10.484 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -2.360 18.795 12.219 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 -0.491 20.748 11.392 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -1.795 19.679 13.119 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -0.870 20.645 12.704 1.00 0.00 C ATOM 0 H TRP A 70 -1.669 16.476 11.379 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.403 14.900 10.019 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.859 17.063 8.662 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.069 17.111 10.401 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.705 18.386 7.637 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -0.244 20.306 8.567 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.073 18.055 12.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.223 21.493 11.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.072 19.624 14.161 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.448 21.321 13.432 1.00 0.00 H new ATOM 1080 N HIS A 71 -1.022 15.933 7.960 1.00 0.00 N ATOM 1081 CA HIS A 71 -0.368 15.642 6.689 1.00 0.00 C ATOM 1082 C HIS A 71 0.015 14.168 6.602 1.00 0.00 C ATOM 1083 O HIS A 71 -0.476 13.441 5.739 1.00 0.00 O ATOM 1084 CB HIS A 71 0.876 16.515 6.520 1.00 0.00 C ATOM 1085 CG HIS A 71 0.586 17.862 5.932 1.00 0.00 C ATOM 1086 ND1 HIS A 71 -0.026 18.211 4.777 1.00 0.00 N flip ATOM 1087 CD2 HIS A 71 0.940 19.043 6.549 1.00 0.00 C flip ATOM 1088 CE1 HIS A 71 -0.032 19.583 4.718 1.00 0.00 C flip ATOM 1089 NE2 HIS A 71 0.557 20.061 5.799 1.00 0.00 N flip ATOM 0 H HIS A 71 -0.610 16.709 8.478 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.071 15.865 5.886 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.352 16.646 7.491 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.591 15.995 5.882 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.451 19.123 7.497 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.450 20.175 3.917 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.693 21.048 6.018 1.00 0.00 H new ATOM 1098 N GLN A 72 0.895 13.735 7.499 1.00 0.00 N ATOM 1099 CA GLN A 72 1.345 12.348 7.521 1.00 0.00 C ATOM 1100 C GLN A 72 0.172 11.393 7.319 1.00 0.00 C ATOM 1101 O GLN A 72 0.260 10.442 6.541 1.00 0.00 O ATOM 1102 CB GLN A 72 2.048 12.038 8.844 1.00 0.00 C ATOM 1103 CG GLN A 72 3.449 12.617 8.937 1.00 0.00 C ATOM 1104 CD GLN A 72 4.147 12.252 10.233 1.00 0.00 C ATOM 1105 OE1 GLN A 72 3.914 11.183 10.797 1.00 0.00 O ATOM 1106 NE2 GLN A 72 5.007 13.142 10.714 1.00 0.00 N ATOM 0 H GLN A 72 1.311 14.325 8.220 1.00 0.00 H new ATOM 0 HA GLN A 72 2.050 12.208 6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.447 12.428 9.665 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.101 10.957 8.973 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.043 12.259 8.096 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.396 13.702 8.851 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.170 14.016 10.214 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.505 12.952 11.584 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.924 11.652 8.023 1.00 0.00 N ATOM 1116 CA LEU A 73 -2.114 10.815 7.922 1.00 0.00 C ATOM 1117 C LEU A 73 -2.646 10.795 6.492 1.00 0.00 C ATOM 1118 O LEU A 73 -2.854 9.730 5.912 1.00 0.00 O ATOM 1119 CB LEU A 73 -3.200 11.319 8.874 1.00 0.00 C ATOM 1120 CG LEU A 73 -3.140 10.782 10.305 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -3.231 9.263 10.308 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.864 11.242 10.995 1.00 0.00 C ATOM 0 H LEU A 73 -1.013 12.435 8.670 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.837 9.799 8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.145 12.407 8.913 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.172 11.064 8.452 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.991 11.179 10.858 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.187 8.898 11.334 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.172 8.954 9.853 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.399 8.848 9.739 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.839 10.850 12.012 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.999 10.874 10.443 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.839 12.331 11.025 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.860 11.981 5.929 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.366 12.099 4.567 1.00 0.00 C ATOM 1136 C GLU A 74 -2.627 11.149 3.628 1.00 0.00 C ATOM 1137 O GLU A 74 -3.238 10.482 2.795 1.00 0.00 O ATOM 1138 CB GLU A 74 -3.224 13.539 4.069 1.00 0.00 C ATOM 1139 CG GLU A 74 -3.935 13.801 2.753 1.00 0.00 C ATOM 1140 CD GLU A 74 -5.406 13.435 2.802 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -5.739 12.272 2.494 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -6.223 14.313 3.148 1.00 0.00 O ATOM 0 H GLU A 74 -2.691 12.872 6.395 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.422 11.827 4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.618 14.217 4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.165 13.772 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.835 14.855 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.449 13.231 1.962 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.307 11.096 3.770 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.483 10.229 2.934 1.00 0.00 C ATOM 1151 C ASN A 75 -1.048 8.812 2.897 1.00 0.00 C ATOM 1152 O ASN A 75 -1.345 8.279 1.826 1.00 0.00 O ATOM 1153 CB ASN A 75 0.956 10.202 3.454 1.00 0.00 C ATOM 1154 CG ASN A 75 1.662 11.531 3.270 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.242 12.364 2.467 1.00 0.00 O ATOM 1156 ND2 ASN A 75 2.743 11.736 4.013 1.00 0.00 N ATOM 0 H ASN A 75 -0.785 11.642 4.455 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.489 10.631 1.921 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.952 9.939 4.512 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.513 9.423 2.934 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.260 12.611 3.930 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.056 11.018 4.666 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.195 8.208 4.070 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.726 6.853 4.172 1.00 0.00 C ATOM 1165 C LEU A 76 -3.152 6.785 3.638 1.00 0.00 C ATOM 1166 O LEU A 76 -3.468 5.956 2.785 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.691 6.379 5.626 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.305 6.282 6.267 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.412 5.753 7.689 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.607 5.397 5.432 1.00 0.00 C ATOM 0 H LEU A 76 -0.954 8.635 4.965 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.100 6.198 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.299 7.058 6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.163 5.398 5.679 1.00 0.00 H new ATOM 0 HG LEU A 76 0.129 7.281 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.583 5.690 8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.030 6.427 8.282 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.866 4.762 7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.588 5.339 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.179 4.397 5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.708 5.819 4.432 1.00 0.00 H new ATOM 1182 N SER A 77 -4.012 7.665 4.144 1.00 0.00 N ATOM 1183 CA SER A 77 -5.406 7.704 3.719 1.00 0.00 C ATOM 1184 C SER A 77 -5.509 7.724 2.197 1.00 0.00 C ATOM 1185 O SER A 77 -6.411 7.120 1.618 1.00 0.00 O ATOM 1186 CB SER A 77 -6.105 8.933 4.304 1.00 0.00 C ATOM 1187 OG SER A 77 -7.484 8.684 4.510 1.00 0.00 O ATOM 0 H SER A 77 -3.767 8.360 4.849 1.00 0.00 H new ATOM 0 HA SER A 77 -5.898 6.804 4.088 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.636 9.207 5.249 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.982 9.781 3.630 1.00 0.00 H new ATOM 0 HG SER A 77 -7.908 9.483 4.886 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.578 8.421 1.556 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.563 8.520 0.100 1.00 0.00 C ATOM 1195 C ASN A 78 -4.087 7.214 -0.529 1.00 0.00 C ATOM 1196 O ASN A 78 -4.656 6.745 -1.515 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.659 9.672 -0.344 1.00 0.00 C ATOM 1198 CG ASN A 78 -4.299 11.029 -0.118 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -5.522 11.146 -0.046 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -3.471 12.061 -0.007 1.00 0.00 N ATOM 0 H ASN A 78 -3.824 8.926 2.021 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.581 8.715 -0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.717 9.622 0.202 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.421 9.557 -1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.842 12.999 0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.464 11.916 -0.073 1.00 0.00 H new ATOM 1207 N PHE A 79 -3.042 6.631 0.049 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.489 5.380 -0.456 1.00 0.00 C ATOM 1209 C PHE A 79 -3.499 4.245 -0.318 1.00 0.00 C ATOM 1210 O PHE A 79 -3.597 3.377 -1.186 1.00 0.00 O ATOM 1211 CB PHE A 79 -1.203 5.027 0.295 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.778 3.597 0.117 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.589 3.070 -1.151 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.566 2.781 1.215 1.00 0.00 C ATOM 1215 CE1 PHE A 79 -0.200 1.755 -1.319 1.00 0.00 C ATOM 1216 CE2 PHE A 79 -0.176 1.465 1.054 1.00 0.00 C ATOM 1217 CZ PHE A 79 0.009 0.951 -0.215 1.00 0.00 C ATOM 0 H PHE A 79 -2.561 7.005 0.867 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.260 5.513 -1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.401 5.681 -0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.346 5.226 1.357 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.748 3.695 -2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.707 3.178 2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.059 1.356 -2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.016 0.839 1.919 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.316 -0.076 -0.344 1.00 0.00 H new ATOM 1227 N ILE A 80 -4.249 4.258 0.779 1.00 0.00 N ATOM 1228 CA ILE A 80 -5.253 3.230 1.031 1.00 0.00 C ATOM 1229 C ILE A 80 -6.305 3.209 -0.073 1.00 0.00 C ATOM 1230 O ILE A 80 -6.444 2.221 -0.794 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.950 3.445 2.387 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.972 3.189 3.535 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -7.165 2.538 2.507 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -5.401 3.812 4.845 1.00 0.00 C ATOM 0 H ILE A 80 -4.181 4.969 1.508 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.730 2.274 1.049 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.286 4.480 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.860 2.114 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.992 3.579 3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.647 2.701 3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.869 2.765 1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.851 1.497 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.661 3.590 5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.485 4.892 4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.367 3.404 5.143 1.00 0.00 H new ATOM 1246 N LYS A 81 -7.044 4.305 -0.199 1.00 0.00 N ATOM 1247 CA LYS A 81 -8.084 4.415 -1.216 1.00 0.00 C ATOM 1248 C LYS A 81 -7.544 4.025 -2.588 1.00 0.00 C ATOM 1249 O LYS A 81 -8.288 3.544 -3.444 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.635 5.842 -1.260 1.00 0.00 C ATOM 1251 CG LYS A 81 -7.621 6.872 -1.730 1.00 0.00 C ATOM 1252 CD LYS A 81 -8.302 8.100 -2.307 1.00 0.00 C ATOM 1253 CE LYS A 81 -7.287 9.139 -2.759 1.00 0.00 C ATOM 1254 NZ LYS A 81 -6.587 8.726 -4.006 1.00 0.00 N ATOM 0 H LYS A 81 -6.942 5.131 0.391 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.890 3.730 -0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.500 5.868 -1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.986 6.118 -0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.985 7.166 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.971 6.427 -2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.926 7.808 -3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.963 8.537 -1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.791 10.091 -2.924 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.555 9.299 -1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.172 9.562 -4.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.833 8.049 -3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.266 8.278 -4.653 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.248 4.234 -2.791 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.609 3.901 -4.059 1.00 0.00 C ATOM 1270 C ALA A 82 -5.613 2.395 -4.296 1.00 0.00 C ATOM 1271 O ALA A 82 -5.910 1.931 -5.397 1.00 0.00 O ATOM 1272 CB ALA A 82 -4.186 4.439 -4.090 1.00 0.00 C ATOM 0 H ALA A 82 -5.619 4.633 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.180 4.370 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.721 4.183 -5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.204 5.523 -3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.612 3.997 -3.276 1.00 0.00 H new ATOM 1278 N MET A 83 -5.282 1.635 -3.256 1.00 0.00 N ATOM 1279 CA MET A 83 -5.248 0.181 -3.353 1.00 0.00 C ATOM 1280 C MET A 83 -6.600 -0.366 -3.798 1.00 0.00 C ATOM 1281 O MET A 83 -6.679 -1.189 -4.710 1.00 0.00 O ATOM 1282 CB MET A 83 -4.853 -0.432 -2.008 1.00 0.00 C ATOM 1283 CG MET A 83 -3.360 -0.369 -1.726 1.00 0.00 C ATOM 1284 SD MET A 83 -2.863 -1.455 -0.374 1.00 0.00 S ATOM 1285 CE MET A 83 -3.436 -0.516 1.040 1.00 0.00 C ATOM 0 H MET A 83 -5.034 2.003 -2.337 1.00 0.00 H new ATOM 0 HA MET A 83 -4.503 -0.091 -4.100 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.387 0.086 -1.211 1.00 0.00 H new ATOM 0 HB3 MET A 83 -5.175 -1.473 -1.984 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.812 -0.643 -2.627 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.083 0.657 -1.484 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.802 -1.199 1.806 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.613 0.074 1.443 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.242 0.150 0.732 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.663 0.095 -3.145 1.00 0.00 N ATOM 1296 CA VAL A 84 -9.013 -0.348 -3.473 1.00 0.00 C ATOM 1297 C VAL A 84 -9.264 -0.278 -4.976 1.00 0.00 C ATOM 1298 O VAL A 84 -9.927 -1.145 -5.546 1.00 0.00 O ATOM 1299 CB VAL A 84 -10.075 0.499 -2.747 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.474 0.064 -3.151 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -9.892 0.403 -1.240 1.00 0.00 C ATOM 0 H VAL A 84 -7.615 0.775 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.096 -1.383 -3.141 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.947 1.541 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.210 0.674 -2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.598 0.189 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.619 -0.984 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.650 1.007 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.993 -0.636 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.902 0.769 -0.970 1.00 0.00 H new ATOM 1311 N SER A 85 -8.730 0.760 -5.612 1.00 0.00 N ATOM 1312 CA SER A 85 -8.899 0.946 -7.048 1.00 0.00 C ATOM 1313 C SER A 85 -8.097 -0.093 -7.828 1.00 0.00 C ATOM 1314 O SER A 85 -8.579 -0.657 -8.811 1.00 0.00 O ATOM 1315 CB SER A 85 -8.465 2.354 -7.456 1.00 0.00 C ATOM 1316 OG SER A 85 -8.618 2.551 -8.851 1.00 0.00 O ATOM 0 H SER A 85 -8.177 1.485 -5.155 1.00 0.00 H new ATOM 0 HA SER A 85 -9.955 0.817 -7.285 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.057 3.092 -6.914 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.424 2.513 -7.175 1.00 0.00 H new ATOM 0 HG SER A 85 -8.335 3.459 -9.086 1.00 0.00 H new ATOM 1322 N TYR A 86 -6.870 -0.339 -7.383 1.00 0.00 N ATOM 1323 CA TYR A 86 -6.000 -1.307 -8.039 1.00 0.00 C ATOM 1324 C TYR A 86 -6.710 -2.645 -8.220 1.00 0.00 C ATOM 1325 O TYR A 86 -6.565 -3.304 -9.248 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.718 -1.503 -7.227 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.556 -2.018 -8.047 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -3.066 -1.294 -9.126 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.947 -3.229 -7.741 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -2.005 -1.760 -9.879 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -1.885 -3.703 -8.487 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.417 -2.965 -9.554 1.00 0.00 C ATOM 1333 OH TYR A 86 -0.360 -3.434 -10.299 1.00 0.00 O ATOM 0 H TYR A 86 -6.456 0.118 -6.571 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.743 -0.917 -9.024 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.438 -0.553 -6.771 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.916 -2.201 -6.414 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.523 -0.349 -9.381 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.310 -3.810 -6.906 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.639 -1.185 -10.716 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.424 -4.647 -8.236 1.00 0.00 H new ATOM 0 HH TYR A 86 0.145 -2.677 -10.663 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.480 -3.040 -7.210 1.00 0.00 N ATOM 1344 CA GLY A 87 -8.203 -4.297 -7.276 1.00 0.00 C ATOM 1345 C GLY A 87 -7.932 -5.186 -6.079 1.00 0.00 C ATOM 1346 O GLY A 87 -7.837 -6.405 -6.212 1.00 0.00 O ATOM 0 H GLY A 87 -7.616 -2.512 -6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.272 -4.095 -7.339 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.924 -4.825 -8.188 1.00 0.00 H new ATOM 1350 N MET A 88 -7.803 -4.573 -4.906 1.00 0.00 N ATOM 1351 CA MET A 88 -7.539 -5.318 -3.680 1.00 0.00 C ATOM 1352 C MET A 88 -8.831 -5.569 -2.908 1.00 0.00 C ATOM 1353 O MET A 88 -9.839 -4.902 -3.136 1.00 0.00 O ATOM 1354 CB MET A 88 -6.544 -4.559 -2.801 1.00 0.00 C ATOM 1355 CG MET A 88 -5.245 -4.215 -3.511 1.00 0.00 C ATOM 1356 SD MET A 88 -3.923 -3.775 -2.366 1.00 0.00 S ATOM 1357 CE MET A 88 -3.459 -5.391 -1.748 1.00 0.00 C ATOM 0 H MET A 88 -7.877 -3.564 -4.779 1.00 0.00 H new ATOM 0 HA MET A 88 -7.108 -6.281 -3.955 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.011 -3.639 -2.449 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.319 -5.159 -1.920 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.929 -5.066 -4.115 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.419 -3.385 -4.196 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.570 -5.300 -1.123 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.277 -5.803 -1.158 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.247 -6.054 -2.587 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.791 -6.534 -1.995 1.00 0.00 N ATOM 1368 CA ASN A 89 -9.959 -6.872 -1.190 1.00 0.00 C ATOM 1369 C ASN A 89 -10.093 -5.926 -0.001 1.00 0.00 C ATOM 1370 O ASN A 89 -9.131 -5.290 0.430 1.00 0.00 O ATOM 1371 CB ASN A 89 -9.863 -8.317 -0.697 1.00 0.00 C ATOM 1372 CG ASN A 89 -10.475 -9.303 -1.674 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -10.077 -9.370 -2.837 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -11.448 -10.075 -1.204 1.00 0.00 N ATOM 0 H ASN A 89 -7.963 -7.095 -1.794 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.844 -6.766 -1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.816 -8.574 -0.534 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.366 -8.404 0.266 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.897 -10.758 -1.814 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.746 -9.985 -0.233 1.00 0.00 H new ATOM 1381 N PRO A 90 -11.315 -5.828 0.542 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.605 -4.963 1.690 1.00 0.00 C ATOM 1383 C PRO A 90 -10.965 -5.473 2.977 1.00 0.00 C ATOM 1384 O PRO A 90 -11.026 -4.815 4.016 1.00 0.00 O ATOM 1385 CB PRO A 90 -13.131 -5.012 1.795 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.512 -6.311 1.173 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.509 -6.556 0.080 1.00 0.00 C ATOM 0 HA PRO A 90 -11.206 -3.958 1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.458 -4.959 2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.591 -4.173 1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.493 -7.116 1.908 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.525 -6.269 0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.306 -7.619 -0.048 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.862 -6.180 -0.881 1.00 0.00 H new ATOM 1395 N VAL A 91 -10.352 -6.650 2.902 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.700 -7.248 4.061 1.00 0.00 C ATOM 1397 C VAL A 91 -8.183 -7.178 3.934 1.00 0.00 C ATOM 1398 O VAL A 91 -7.456 -7.496 4.876 1.00 0.00 O ATOM 1399 CB VAL A 91 -10.121 -8.719 4.245 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -11.595 -8.811 4.605 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -9.820 -9.520 2.987 1.00 0.00 C ATOM 0 H VAL A 91 -10.293 -7.208 2.050 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.016 -6.675 4.933 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.544 -9.144 5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.874 -9.857 4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.777 -8.272 5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.193 -8.370 3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.124 -10.556 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.370 -9.097 2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.751 -9.481 2.778 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.710 -6.757 2.766 1.00 0.00 N ATOM 1412 CA ASP A 92 -6.278 -6.642 2.517 1.00 0.00 C ATOM 1413 C ASP A 92 -5.815 -5.196 2.663 1.00 0.00 C ATOM 1414 O ASP A 92 -4.760 -4.816 2.154 1.00 0.00 O ATOM 1415 CB ASP A 92 -5.939 -7.160 1.119 1.00 0.00 C ATOM 1416 CG ASP A 92 -5.996 -8.673 1.033 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -6.957 -9.262 1.569 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -5.078 -9.266 0.428 1.00 0.00 O ATOM 0 H ASP A 92 -8.298 -6.490 1.976 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.756 -7.248 3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.634 -6.731 0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.941 -6.820 0.841 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.612 -4.393 3.361 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.285 -2.987 3.573 1.00 0.00 C ATOM 1425 C LEU A 93 -5.900 -2.731 5.027 1.00 0.00 C ATOM 1426 O LEU A 93 -5.919 -3.643 5.855 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.471 -2.103 3.184 1.00 0.00 C ATOM 1428 CG LEU A 93 -7.968 -2.241 1.746 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -9.241 -1.433 1.540 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -6.891 -1.802 0.764 1.00 0.00 C ATOM 0 H LEU A 93 -7.488 -4.691 3.789 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.432 -2.738 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.300 -2.325 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.194 -1.063 3.353 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.195 -3.291 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.580 -1.544 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.015 -1.794 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.042 -0.381 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.263 -1.907 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.632 -0.760 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.005 -2.424 0.893 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.552 -1.485 5.331 1.00 0.00 N ATOM 1443 CA PHE A 94 -5.165 -1.109 6.686 1.00 0.00 C ATOM 1444 C PHE A 94 -5.552 0.337 6.980 1.00 0.00 C ATOM 1445 O PHE A 94 -5.713 1.146 6.067 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.658 -1.294 6.877 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.827 -0.427 5.975 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.461 0.851 6.366 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.414 -0.889 4.736 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.696 1.652 5.538 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.650 -0.093 3.904 1.00 0.00 C ATOM 1452 CZ PHE A 94 -1.291 1.179 4.305 1.00 0.00 C ATOM 0 H PHE A 94 -5.530 -0.719 4.658 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.696 -1.758 7.383 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.402 -1.076 7.914 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.403 -2.339 6.699 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.777 1.226 7.328 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.692 -1.882 4.417 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.416 2.646 5.855 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.334 -0.465 2.941 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.695 1.803 3.656 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.700 0.654 8.263 1.00 0.00 N ATOM 1463 CA GLU A 95 -6.070 2.003 8.678 1.00 0.00 C ATOM 1464 C GLU A 95 -4.834 2.886 8.821 1.00 0.00 C ATOM 1465 O GLU A 95 -3.732 2.396 9.066 1.00 0.00 O ATOM 1466 CB GLU A 95 -6.836 1.960 10.002 1.00 0.00 C ATOM 1467 CG GLU A 95 -8.340 1.826 9.830 1.00 0.00 C ATOM 1468 CD GLU A 95 -9.089 1.936 11.145 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -9.296 0.891 11.798 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -9.469 3.064 11.519 1.00 0.00 O ATOM 0 H GLU A 95 -5.570 -0.004 9.032 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.713 2.430 7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.471 1.123 10.597 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.623 2.868 10.565 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.694 2.599 9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.565 0.865 9.367 1.00 0.00 H new ATOM 1477 N ALA A 96 -5.027 4.192 8.665 1.00 0.00 N ATOM 1478 CA ALA A 96 -3.929 5.145 8.777 1.00 0.00 C ATOM 1479 C ALA A 96 -3.266 5.058 10.148 1.00 0.00 C ATOM 1480 O ALA A 96 -2.047 5.177 10.267 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.429 6.558 8.519 1.00 0.00 C ATOM 0 H ALA A 96 -5.933 4.614 8.461 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.182 4.893 8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.599 7.259 8.606 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.851 6.617 7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.196 6.812 9.250 1.00 0.00 H new ATOM 1487 N ASN A 97 -4.077 4.852 11.180 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.568 4.751 12.544 1.00 0.00 C ATOM 1489 C ASN A 97 -2.666 3.531 12.699 1.00 0.00 C ATOM 1490 O ASN A 97 -1.601 3.606 13.312 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.728 4.671 13.539 1.00 0.00 C ATOM 1492 CG ASN A 97 -5.883 3.840 13.015 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -6.777 4.476 12.266 1.00 0.00 O flip ATOM 1494 ND2 ASN A 97 -5.971 2.641 13.280 1.00 0.00 N flip ATOM 0 H ASN A 97 -5.089 4.752 11.099 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.980 5.645 12.753 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.371 4.242 14.475 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.081 5.678 13.763 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.261 2.193 13.859 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.754 2.095 12.920 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.099 2.406 12.140 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.331 1.168 12.214 1.00 0.00 C ATOM 1503 C ASP A 98 -0.837 1.448 12.075 1.00 0.00 C ATOM 1504 O ASP A 98 -0.022 0.906 12.823 1.00 0.00 O ATOM 1505 CB ASP A 98 -2.783 0.196 11.123 1.00 0.00 C ATOM 1506 CG ASP A 98 -4.169 -0.361 11.384 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -4.626 -0.297 12.544 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -4.796 -0.862 10.427 1.00 0.00 O ATOM 0 H ASP A 98 -3.979 2.326 11.630 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.510 0.716 13.189 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.775 0.706 10.160 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.071 -0.626 11.055 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.486 2.296 11.115 1.00 0.00 N ATOM 1514 CA LEU A 99 0.910 2.648 10.878 1.00 0.00 C ATOM 1515 C LEU A 99 1.301 3.890 11.671 1.00 0.00 C ATOM 1516 O LEU A 99 2.277 3.879 12.421 1.00 0.00 O ATOM 1517 CB LEU A 99 1.151 2.884 9.387 1.00 0.00 C ATOM 1518 CG LEU A 99 2.612 3.018 8.955 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.317 1.673 9.037 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.701 3.585 7.546 1.00 0.00 C ATOM 0 H LEU A 99 -1.148 2.753 10.488 1.00 0.00 H new ATOM 0 HA LEU A 99 1.530 1.816 11.213 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.703 2.059 8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.622 3.790 9.093 1.00 0.00 H new ATOM 0 HG LEU A 99 3.111 3.709 9.635 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.355 1.787 8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.284 1.307 10.063 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.818 0.960 8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.748 3.674 7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.187 2.919 6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.233 4.569 7.519 1.00 0.00 H new ATOM 1532 N PHE A 100 0.533 4.961 11.502 1.00 0.00 N ATOM 1533 CA PHE A 100 0.798 6.212 12.202 1.00 0.00 C ATOM 1534 C PHE A 100 1.225 5.948 13.642 1.00 0.00 C ATOM 1535 O PHE A 100 2.352 6.252 14.032 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.444 7.106 12.181 1.00 0.00 C ATOM 1537 CG PHE A 100 -0.159 8.535 12.545 1.00 0.00 C ATOM 1538 CD1 PHE A 100 0.800 9.261 11.859 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.851 9.152 13.574 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.065 10.577 12.191 1.00 0.00 C ATOM 1541 CE2 PHE A 100 -0.593 10.468 13.911 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.368 11.180 13.219 1.00 0.00 C ATOM 0 H PHE A 100 -0.279 4.987 10.885 1.00 0.00 H new ATOM 0 HA PHE A 100 1.612 6.722 11.688 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.888 7.074 11.186 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.184 6.703 12.873 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.348 8.793 11.054 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.601 8.599 14.120 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.815 11.132 11.647 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.142 10.938 14.714 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.574 12.207 13.482 1.00 0.00 H new ATOM 1552 N GLU A 101 0.315 5.382 14.429 1.00 0.00 N ATOM 1553 CA GLU A 101 0.597 5.078 15.828 1.00 0.00 C ATOM 1554 C GLU A 101 0.839 3.585 16.022 1.00 0.00 C ATOM 1555 O GLU A 101 0.426 3.004 17.026 1.00 0.00 O ATOM 1556 CB GLU A 101 -0.562 5.538 16.715 1.00 0.00 C ATOM 1557 CG GLU A 101 -0.801 7.038 16.676 1.00 0.00 C ATOM 1558 CD GLU A 101 0.040 7.791 17.688 1.00 0.00 C ATOM 1559 OE1 GLU A 101 -0.236 7.665 18.899 1.00 0.00 O ATOM 1560 OE2 GLU A 101 0.975 8.505 17.268 1.00 0.00 O ATOM 0 H GLU A 101 -0.623 5.125 14.122 1.00 0.00 H new ATOM 0 HA GLU A 101 1.501 5.615 16.116 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.472 5.025 16.404 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.363 5.237 17.744 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.579 7.411 15.676 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.856 7.239 16.865 1.00 0.00 H new ATOM 1567 N SER A 102 1.512 2.969 15.055 1.00 0.00 N ATOM 1568 CA SER A 102 1.805 1.542 15.116 1.00 0.00 C ATOM 1569 C SER A 102 0.614 0.766 15.667 1.00 0.00 C ATOM 1570 O SER A 102 0.769 -0.322 16.222 1.00 0.00 O ATOM 1571 CB SER A 102 3.038 1.292 15.988 1.00 0.00 C ATOM 1572 OG SER A 102 2.768 1.580 17.348 1.00 0.00 O ATOM 0 H SER A 102 1.865 3.436 14.220 1.00 0.00 H new ATOM 0 HA SER A 102 2.006 1.193 14.103 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.353 0.253 15.889 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.865 1.910 15.639 1.00 0.00 H new ATOM 0 HG SER A 102 1.908 2.045 17.419 1.00 0.00 H new ATOM 1578 N GLY A 103 -0.579 1.332 15.508 1.00 0.00 N ATOM 1579 CA GLY A 103 -1.781 0.680 15.994 1.00 0.00 C ATOM 1580 C GLY A 103 -1.954 -0.714 15.425 1.00 0.00 C ATOM 1581 O GLY A 103 -2.760 -1.500 15.924 1.00 0.00 O ATOM 0 H GLY A 103 -0.734 2.231 15.051 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.745 0.623 17.082 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.649 1.285 15.735 1.00 0.00 H new ATOM 1585 N ASN A 104 -1.196 -1.023 14.378 1.00 0.00 N ATOM 1586 CA ASN A 104 -1.271 -2.333 13.740 1.00 0.00 C ATOM 1587 C ASN A 104 -0.225 -2.460 12.637 1.00 0.00 C ATOM 1588 O ASN A 104 -0.296 -1.775 11.618 1.00 0.00 O ATOM 1589 CB ASN A 104 -2.669 -2.561 13.161 1.00 0.00 C ATOM 1590 CG ASN A 104 -3.061 -4.026 13.159 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -2.290 -4.887 13.581 1.00 0.00 O ATOM 1592 ND2 ASN A 104 -4.267 -4.315 12.681 1.00 0.00 N ATOM 0 H ASN A 104 -0.523 -0.385 13.953 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.070 -3.091 14.497 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.397 -1.994 13.741 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.704 -2.177 12.142 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.586 -5.283 12.654 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.873 -3.568 12.341 1.00 0.00 H new ATOM 1599 N MET A 105 0.745 -3.344 12.849 1.00 0.00 N ATOM 1600 CA MET A 105 1.805 -3.564 11.873 1.00 0.00 C ATOM 1601 C MET A 105 1.555 -4.841 11.076 1.00 0.00 C ATOM 1602 O MET A 105 2.206 -5.090 10.061 1.00 0.00 O ATOM 1603 CB MET A 105 3.164 -3.644 12.572 1.00 0.00 C ATOM 1604 CG MET A 105 3.860 -2.298 12.703 1.00 0.00 C ATOM 1605 SD MET A 105 4.927 -1.929 11.296 1.00 0.00 S ATOM 1606 CE MET A 105 3.710 -1.634 10.016 1.00 0.00 C ATOM 0 H MET A 105 0.818 -3.919 13.688 1.00 0.00 H new ATOM 0 HA MET A 105 1.808 -2.720 11.183 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.028 -4.072 13.565 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.809 -4.325 12.017 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.110 -1.513 12.801 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.454 -2.288 13.617 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.174 -1.093 9.191 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.324 -2.587 9.654 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.890 -1.042 10.423 1.00 0.00 H new ATOM 1616 N THR A 106 0.606 -5.648 11.543 1.00 0.00 N ATOM 1617 CA THR A 106 0.272 -6.899 10.876 1.00 0.00 C ATOM 1618 C THR A 106 -0.717 -6.668 9.738 1.00 0.00 C ATOM 1619 O THR A 106 -0.732 -7.412 8.757 1.00 0.00 O ATOM 1620 CB THR A 106 -0.327 -7.919 11.862 1.00 0.00 C ATOM 1621 OG1 THR A 106 -1.714 -7.635 12.077 1.00 0.00 O ATOM 1622 CG2 THR A 106 0.414 -7.888 13.190 1.00 0.00 C ATOM 0 H THR A 106 0.056 -5.456 12.380 1.00 0.00 H new ATOM 0 HA THR A 106 1.201 -7.299 10.471 1.00 0.00 H new ATOM 0 HB THR A 106 -0.223 -8.914 11.430 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.805 -6.770 12.529 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.027 -8.617 13.870 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.464 -8.133 13.027 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.337 -6.892 13.626 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.538 -5.632 9.875 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.530 -5.304 8.858 1.00 0.00 C ATOM 1632 C GLN A 107 -1.890 -4.540 7.702 1.00 0.00 C ATOM 1633 O GLN A 107 -2.350 -4.619 6.562 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.662 -4.478 9.467 1.00 0.00 C ATOM 1635 CG GLN A 107 -4.990 -4.639 8.745 1.00 0.00 C ATOM 1636 CD GLN A 107 -5.539 -6.049 8.842 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -6.069 -6.451 9.878 1.00 0.00 O ATOM 1638 NE2 GLN A 107 -5.416 -6.808 7.760 1.00 0.00 N ATOM 0 H GLN A 107 -1.536 -5.006 10.680 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.940 -6.237 8.471 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.789 -4.765 10.511 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -3.378 -3.426 9.458 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.715 -3.941 9.165 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.863 -4.374 7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.970 -6.434 6.923 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.768 -7.765 7.766 1.00 0.00 H new ATOM 1647 N VAL A 108 -0.829 -3.800 8.004 1.00 0.00 N ATOM 1648 CA VAL A 108 -0.126 -3.021 6.990 1.00 0.00 C ATOM 1649 C VAL A 108 0.871 -3.885 6.227 1.00 0.00 C ATOM 1650 O VAL A 108 1.228 -3.580 5.090 1.00 0.00 O ATOM 1651 CB VAL A 108 0.618 -1.827 7.616 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.400 -1.068 6.554 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.357 -0.907 8.332 1.00 0.00 C ATOM 0 H VAL A 108 -0.437 -3.723 8.942 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.881 -2.646 6.298 1.00 0.00 H new ATOM 0 HB VAL A 108 1.327 -2.208 8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.919 -0.228 7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.128 -1.735 6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.714 -0.697 5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.187 -0.069 8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.092 -0.531 7.620 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.866 -1.460 9.122 1.00 0.00 H new ATOM 1663 N GLN A 109 1.317 -4.965 6.861 1.00 0.00 N ATOM 1664 CA GLN A 109 2.275 -5.873 6.241 1.00 0.00 C ATOM 1665 C GLN A 109 1.612 -6.693 5.138 1.00 0.00 C ATOM 1666 O GLN A 109 2.061 -6.687 3.993 1.00 0.00 O ATOM 1667 CB GLN A 109 2.879 -6.807 7.293 1.00 0.00 C ATOM 1668 CG GLN A 109 4.042 -7.635 6.774 1.00 0.00 C ATOM 1669 CD GLN A 109 4.856 -8.262 7.889 1.00 0.00 C ATOM 1670 OE1 GLN A 109 6.176 -8.216 7.757 1.00 0.00 O flip ATOM 1671 NE2 GLN A 109 4.304 -8.783 8.859 1.00 0.00 N flip ATOM 0 H GLN A 109 1.031 -5.232 7.803 1.00 0.00 H new ATOM 0 HA GLN A 109 3.070 -5.274 5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.217 -6.214 8.143 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.102 -7.477 7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.661 -8.421 6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.690 -7.003 6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 109 3.286 -8.796 8.920 1.00 0.00 H new ATOM 0 HE22 GLN A 109 4.865 -9.201 9.601 1.00 0.00 H new ATOM 1680 N VAL A 110 0.542 -7.396 5.493 1.00 0.00 N ATOM 1681 CA VAL A 110 -0.183 -8.220 4.533 1.00 0.00 C ATOM 1682 C VAL A 110 -0.600 -7.405 3.314 1.00 0.00 C ATOM 1683 O VAL A 110 -0.515 -7.877 2.180 1.00 0.00 O ATOM 1684 CB VAL A 110 -1.438 -8.850 5.168 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -1.047 -9.806 6.286 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -2.374 -7.767 5.684 1.00 0.00 C ATOM 0 H VAL A 110 0.158 -7.412 6.438 1.00 0.00 H new ATOM 0 HA VAL A 110 0.496 -9.014 4.222 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.965 -9.420 4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.945 -10.242 6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.418 -10.600 5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.497 -9.262 7.054 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.255 -8.229 6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.859 -7.169 6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.679 -7.126 4.857 1.00 0.00 H new ATOM 1696 N SER A 111 -1.052 -6.178 3.555 1.00 0.00 N ATOM 1697 CA SER A 111 -1.485 -5.297 2.476 1.00 0.00 C ATOM 1698 C SER A 111 -0.409 -5.188 1.399 1.00 0.00 C ATOM 1699 O SER A 111 -0.703 -5.247 0.204 1.00 0.00 O ATOM 1700 CB SER A 111 -1.817 -3.909 3.025 1.00 0.00 C ATOM 1701 OG SER A 111 -2.746 -3.239 2.192 1.00 0.00 O ATOM 0 H SER A 111 -1.128 -5.772 4.487 1.00 0.00 H new ATOM 0 HA SER A 111 -2.381 -5.725 2.027 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.227 -4.001 4.031 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.904 -3.319 3.105 1.00 0.00 H new ATOM 0 HG SER A 111 -3.396 -3.884 1.843 1.00 0.00 H new ATOM 1707 N LEU A 112 0.836 -5.027 1.831 1.00 0.00 N ATOM 1708 CA LEU A 112 1.957 -4.910 0.905 1.00 0.00 C ATOM 1709 C LEU A 112 2.306 -6.264 0.296 1.00 0.00 C ATOM 1710 O LEU A 112 2.613 -6.361 -0.893 1.00 0.00 O ATOM 1711 CB LEU A 112 3.178 -4.330 1.622 1.00 0.00 C ATOM 1712 CG LEU A 112 2.971 -2.984 2.318 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.218 -2.588 3.094 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.610 -1.910 1.304 1.00 0.00 C ATOM 0 H LEU A 112 1.095 -4.974 2.816 1.00 0.00 H new ATOM 0 HA LEU A 112 1.662 -4.237 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.515 -5.053 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.983 -4.221 0.895 1.00 0.00 H new ATOM 0 HG LEU A 112 2.145 -3.084 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.053 -1.628 3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.434 -3.346 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.062 -2.506 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.466 -0.959 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.415 -1.812 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.689 -2.188 0.791 1.00 0.00 H new ATOM 1726 N LEU A 113 2.254 -7.307 1.117 1.00 0.00 N ATOM 1727 CA LEU A 113 2.562 -8.657 0.659 1.00 0.00 C ATOM 1728 C LEU A 113 1.551 -9.122 -0.385 1.00 0.00 C ATOM 1729 O LEU A 113 1.852 -9.977 -1.216 1.00 0.00 O ATOM 1730 CB LEU A 113 2.574 -9.627 1.842 1.00 0.00 C ATOM 1731 CG LEU A 113 3.853 -9.648 2.680 1.00 0.00 C ATOM 1732 CD1 LEU A 113 3.641 -10.443 3.958 1.00 0.00 C ATOM 1733 CD2 LEU A 113 5.009 -10.226 1.875 1.00 0.00 C ATOM 0 H LEU A 113 2.001 -7.244 2.103 1.00 0.00 H new ATOM 0 HA LEU A 113 3.550 -8.642 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.738 -9.380 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.395 -10.633 1.463 1.00 0.00 H new ATOM 0 HG LEU A 113 4.103 -8.623 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.562 -10.447 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.843 -9.986 4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.366 -11.468 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.911 -10.233 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.768 -11.245 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.177 -9.614 0.989 1.00 0.00 H new ATOM 1745 N ALA A 114 0.352 -8.551 -0.335 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.701 -8.903 -1.278 1.00 0.00 C ATOM 1747 C ALA A 114 -0.668 -7.996 -2.504 1.00 0.00 C ATOM 1748 O ALA A 114 -0.869 -8.450 -3.631 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.062 -8.830 -0.602 1.00 0.00 C ATOM 0 H ALA A 114 0.086 -7.843 0.349 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.527 -9.926 -1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.839 -9.096 -1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.089 -9.525 0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.234 -7.817 -0.239 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.412 -6.712 -2.277 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.352 -5.740 -3.362 1.00 0.00 C ATOM 1757 C LEU A 115 0.847 -6.007 -4.266 1.00 0.00 C ATOM 1758 O LEU A 115 0.780 -5.804 -5.479 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.275 -4.320 -2.798 1.00 0.00 C ATOM 1760 CG LEU A 115 0.224 -3.241 -3.760 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -0.938 -2.639 -4.536 1.00 0.00 C ATOM 1762 CD2 LEU A 115 0.980 -2.159 -3.003 1.00 0.00 C ATOM 0 H LEU A 115 -0.243 -6.320 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.260 -5.839 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.267 -4.035 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.379 -4.332 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 115 0.908 -3.704 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.564 -1.873 -5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.436 -3.421 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.647 -2.191 -3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.328 -1.400 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.319 -1.699 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.836 -2.602 -2.494 1.00 0.00 H new ATOM 1774 N ALA A 116 1.942 -6.462 -3.668 1.00 0.00 N ATOM 1775 CA ALA A 116 3.155 -6.761 -4.420 1.00 0.00 C ATOM 1776 C ALA A 116 2.930 -7.917 -5.388 1.00 0.00 C ATOM 1777 O ALA A 116 3.082 -7.763 -6.599 1.00 0.00 O ATOM 1778 CB ALA A 116 4.300 -7.079 -3.471 1.00 0.00 C ATOM 0 H ALA A 116 2.015 -6.632 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 116 3.417 -5.879 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.199 -7.300 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.485 -6.222 -2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 116 4.038 -7.944 -2.861 1.00 0.00 H new ATOM 1784 N GLY A 117 2.570 -9.075 -4.845 1.00 0.00 N ATOM 1785 CA GLY A 117 2.331 -10.242 -5.675 1.00 0.00 C ATOM 1786 C GLY A 117 1.472 -9.926 -6.884 1.00 0.00 C ATOM 1787 O GLY A 117 1.718 -10.432 -7.980 1.00 0.00 O ATOM 0 H GLY A 117 2.439 -9.227 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 117 3.286 -10.649 -6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 117 1.845 -11.015 -5.079 1.00 0.00 H new ATOM 1791 N LYS A 118 0.458 -9.090 -6.686 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.441 -8.708 -7.768 1.00 0.00 C ATOM 1793 C LYS A 118 0.221 -7.691 -8.693 1.00 0.00 C ATOM 1794 O LYS A 118 0.071 -7.756 -9.912 1.00 0.00 O ATOM 1795 CB LYS A 118 -1.738 -8.128 -7.199 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.771 -7.793 -8.261 1.00 0.00 C ATOM 1797 CD LYS A 118 -4.186 -7.932 -7.727 1.00 0.00 C ATOM 1798 CE LYS A 118 -4.685 -6.631 -7.120 1.00 0.00 C ATOM 1799 NZ LYS A 118 -5.099 -5.654 -8.166 1.00 0.00 N ATOM 0 H LYS A 118 0.239 -8.664 -5.786 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.673 -9.602 -8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.169 -8.842 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.505 -7.226 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.613 -6.774 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.639 -8.452 -9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -4.852 -8.236 -8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.216 -8.720 -6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -5.529 -6.837 -6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.900 -6.193 -6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -4.733 -4.711 -7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.716 -5.948 -9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -6.137 -5.620 -8.218 1.00 0.00 H new ATOM 1813 N ALA A 119 0.953 -6.751 -8.103 1.00 0.00 N ATOM 1814 CA ALA A 119 1.640 -5.723 -8.874 1.00 0.00 C ATOM 1815 C ALA A 119 2.670 -6.339 -9.817 1.00 0.00 C ATOM 1816 O ALA A 119 2.908 -5.828 -10.911 1.00 0.00 O ATOM 1817 CB ALA A 119 2.307 -4.722 -7.942 1.00 0.00 C ATOM 0 H ALA A 119 1.085 -6.681 -7.094 1.00 0.00 H new ATOM 0 HA ALA A 119 0.898 -5.202 -9.479 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.817 -3.960 -8.531 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.551 -4.250 -7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.032 -5.238 -7.312 1.00 0.00 H new