USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 590 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 62 MET CE :methyl -136:sc= -4.24! (180deg=-1.05) USER MOD Set 1.2: A 105 MET CE :methyl -154:sc= -0.901 (180deg=-1.73) USER MOD Single : A 22 GLN : amide:sc= -2.1 K(o=-2.1,f=-3.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -4.51! C(o=-4.5!,f=-7!) USER MOD Single : A 37 THR OG1 : rot 36:sc= -0.37 USER MOD Single : A 39 THR OG1 : rot -174:sc= -1.29 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 52 TYR OH : rot 180:sc=-0.00842 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.892 K(o=0.89,f=-6.5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 31:sc= 0.121 USER MOD Single : A 66 THR OG1 : rot 42:sc= 0.972 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -1.39 F(o=-4.3!,f=-1.4) USER MOD Single : A 71 TYR OH : rot -178:sc= 0.534 USER MOD Single : A 72 HIS : no HD1:sc= -0.206 K(o=-0.21,f=-1.1) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.038) USER MOD Single : A 87 TYR OH : rot 180:sc= 0.00992 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 148:sc= 1.16 USER MOD Single : A 95 ASN : amide:sc= -5.32! C(o=-5.3!,f=-16!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 106:sc= 0.647 USER MOD Single : A 104 THR OG1 : rot 172:sc= 0.392 USER MOD Single : A 106 THR OG1 : rot 107:sc= 0.648 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0.024 USER MOD ----------------------------------------------------------------- ATOM 223 N GLY A 19 -14.004 -13.016 -3.419 1.00 0.00 N ATOM 224 CA GLY A 19 -14.157 -11.571 -3.410 1.00 0.00 C ATOM 225 C GLY A 19 -12.798 -10.876 -3.309 1.00 0.00 C ATOM 226 O GLY A 19 -11.782 -11.524 -3.062 1.00 0.00 O ATOM 0 HA2 GLY A 19 -14.667 -11.250 -4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.785 -11.274 -2.570 1.00 0.00 H new ATOM 230 N PRO A 20 -12.824 -9.532 -3.510 1.00 0.00 N ATOM 231 CA PRO A 20 -11.606 -8.742 -3.444 1.00 0.00 C ATOM 232 C PRO A 20 -11.154 -8.551 -1.993 1.00 0.00 C ATOM 233 O PRO A 20 -11.859 -8.941 -1.064 1.00 0.00 O ATOM 234 CB PRO A 20 -11.947 -7.432 -4.136 1.00 0.00 C ATOM 235 CG PRO A 20 -13.465 -7.353 -4.151 1.00 0.00 C ATOM 236 CD PRO A 20 -14.008 -8.730 -3.805 1.00 0.00 C ATOM 0 HA PRO A 20 -10.763 -9.228 -3.935 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.517 -6.585 -3.602 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.544 -7.409 -5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.816 -6.613 -3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.821 -7.038 -5.132 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.680 -8.687 -2.948 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.575 -9.152 -4.635 1.00 0.00 H new ATOM 241 N PRO A 21 -9.951 -7.936 -1.842 1.00 0.00 N ATOM 242 CA PRO A 21 -9.397 -7.688 -0.522 1.00 0.00 C ATOM 243 C PRO A 21 -10.117 -6.527 0.166 1.00 0.00 C ATOM 244 O PRO A 21 -10.838 -5.769 -0.480 1.00 0.00 O ATOM 245 CB PRO A 21 -7.920 -7.415 -0.760 1.00 0.00 C ATOM 246 CG PRO A 21 -7.795 -7.061 -2.232 1.00 0.00 C ATOM 247 CD PRO A 21 -9.090 -7.459 -2.921 1.00 0.00 C ATOM 0 HA PRO A 21 -9.528 -8.532 0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.567 -6.598 -0.130 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.317 -8.289 -0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.611 -5.993 -2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.949 -7.583 -2.679 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.539 -6.613 -3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.920 -8.237 -3.665 1.00 0.00 H new ATOM 252 N GLN A 22 -9.896 -6.424 1.468 1.00 0.00 N ATOM 253 CA GLN A 22 -10.514 -5.368 2.251 1.00 0.00 C ATOM 254 C GLN A 22 -10.038 -3.998 1.764 1.00 0.00 C ATOM 255 O GLN A 22 -10.849 -3.107 1.517 1.00 0.00 O ATOM 256 CB GLN A 22 -10.225 -5.550 3.742 1.00 0.00 C ATOM 257 CG GLN A 22 -11.357 -6.315 4.431 1.00 0.00 C ATOM 258 CD GLN A 22 -11.807 -5.598 5.706 1.00 0.00 C ATOM 259 OE1 GLN A 22 -12.979 -5.548 6.039 1.00 0.00 O ATOM 260 NE2 GLN A 22 -10.813 -5.049 6.397 1.00 0.00 N ATOM 0 H GLN A 22 -9.297 -7.055 2.001 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.594 -5.426 2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.286 -6.089 3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.100 -4.575 4.214 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.201 -6.415 3.749 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.023 -7.324 4.675 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.853 -5.129 6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.010 -4.548 7.263 1.00 0.00 H new ATOM 267 N ILE A 23 -8.725 -3.873 1.640 1.00 0.00 N ATOM 268 CA ILE A 23 -8.132 -2.626 1.186 1.00 0.00 C ATOM 269 C ILE A 23 -6.749 -2.909 0.596 1.00 0.00 C ATOM 270 O ILE A 23 -6.178 -3.974 0.828 1.00 0.00 O ATOM 271 CB ILE A 23 -8.120 -1.596 2.317 1.00 0.00 C ATOM 272 CG1 ILE A 23 -8.233 -0.174 1.765 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.883 -1.770 3.203 1.00 0.00 C ATOM 274 CD1 ILE A 23 -6.867 0.516 1.739 1.00 0.00 C ATOM 0 H ILE A 23 -8.055 -4.614 1.846 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.733 -2.185 0.391 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.994 -1.768 2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.649 -0.203 0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.924 0.404 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.898 -1.026 3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.886 -2.769 3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.983 -1.639 2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.977 1.525 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.465 0.566 2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.185 -0.051 1.105 1.00 0.00 H new ATOM 285 N VAL A 24 -6.249 -1.937 -0.152 1.00 0.00 N ATOM 286 CA VAL A 24 -4.945 -2.068 -0.777 1.00 0.00 C ATOM 287 C VAL A 24 -4.215 -0.725 -0.712 1.00 0.00 C ATOM 288 O VAL A 24 -4.701 0.275 -1.238 1.00 0.00 O ATOM 289 CB VAL A 24 -5.098 -2.598 -2.205 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.733 -2.768 -2.876 1.00 0.00 C ATOM 291 CG2 VAL A 24 -5.885 -3.909 -2.222 1.00 0.00 C ATOM 0 H VAL A 24 -6.725 -1.054 -0.339 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.336 -2.795 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.663 -1.862 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.870 -3.146 -3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.224 -1.805 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.132 -3.475 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.979 -4.264 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.360 -4.656 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.877 -3.743 -1.803 1.00 0.00 H new ATOM 301 N LYS A 25 -3.060 -0.746 -0.064 1.00 0.00 N ATOM 302 CA LYS A 25 -2.259 0.459 0.077 1.00 0.00 C ATOM 303 C LYS A 25 -0.837 0.181 -0.417 1.00 0.00 C ATOM 304 O LYS A 25 -0.430 -0.974 -0.527 1.00 0.00 O ATOM 305 CB LYS A 25 -2.320 0.978 1.515 1.00 0.00 C ATOM 306 CG LYS A 25 -1.888 -0.103 2.508 1.00 0.00 C ATOM 307 CD LYS A 25 -1.340 0.520 3.794 1.00 0.00 C ATOM 308 CE LYS A 25 -2.471 0.829 4.777 1.00 0.00 C ATOM 309 NZ LYS A 25 -2.798 2.273 4.754 1.00 0.00 N ATOM 0 H LYS A 25 -2.659 -1.578 0.369 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.662 1.259 -0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.674 1.850 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.335 1.303 1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.737 -0.745 2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.126 -0.736 2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.626 -0.161 4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.799 1.436 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.355 0.246 4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.177 0.533 5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.567 2.465 5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.958 2.824 5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.099 2.546 3.797 1.00 0.00 H new ATOM 319 N ILE A 26 -0.123 1.260 -0.701 1.00 0.00 N ATOM 320 CA ILE A 26 1.245 1.147 -1.180 1.00 0.00 C ATOM 321 C ILE A 26 2.209 1.409 -0.022 1.00 0.00 C ATOM 322 O ILE A 26 2.438 2.558 0.352 1.00 0.00 O ATOM 323 CB ILE A 26 1.467 2.062 -2.385 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.935 1.419 -3.668 1.00 0.00 C ATOM 325 CG2 ILE A 26 2.939 2.455 -2.510 1.00 0.00 C ATOM 326 CD1 ILE A 26 -0.226 2.231 -4.248 1.00 0.00 C ATOM 0 H ILE A 26 -0.465 2.216 -0.609 1.00 0.00 H new ATOM 0 HA ILE A 26 1.442 0.136 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 26 0.900 2.979 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.737 1.348 -4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.603 0.402 -3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.070 3.106 -3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.253 2.982 -1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.546 1.558 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.585 1.752 -5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.036 2.279 -3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.115 3.240 -4.479 1.00 0.00 H new ATOM 337 N GLU A 27 2.751 0.323 0.513 1.00 0.00 N ATOM 338 CA GLU A 27 3.686 0.422 1.620 1.00 0.00 C ATOM 339 C GLU A 27 4.605 1.631 1.432 1.00 0.00 C ATOM 340 O GLU A 27 4.747 2.453 2.336 1.00 0.00 O ATOM 341 CB GLU A 27 4.498 -0.867 1.768 1.00 0.00 C ATOM 342 CG GLU A 27 4.344 -1.453 3.173 1.00 0.00 C ATOM 343 CD GLU A 27 5.465 -0.969 4.094 1.00 0.00 C ATOM 344 OE1 GLU A 27 6.599 -1.465 3.918 1.00 0.00 O ATOM 345 OE2 GLU A 27 5.163 -0.115 4.955 1.00 0.00 O ATOM 0 H GLU A 27 2.560 -0.629 0.200 1.00 0.00 H new ATOM 0 HA GLU A 27 3.118 0.562 2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.168 -1.596 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.550 -0.663 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.378 -1.165 3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.356 -2.542 3.120 1.00 0.00 H new ATOM 350 N ASP A 28 5.206 1.700 0.254 1.00 0.00 N ATOM 351 CA ASP A 28 6.107 2.794 -0.063 1.00 0.00 C ATOM 352 C ASP A 28 6.770 2.528 -1.417 1.00 0.00 C ATOM 353 O ASP A 28 6.474 1.529 -2.069 1.00 0.00 O ATOM 354 CB ASP A 28 7.212 2.920 0.988 1.00 0.00 C ATOM 355 CG ASP A 28 7.580 4.355 1.370 1.00 0.00 C ATOM 356 OD1 ASP A 28 8.387 4.953 0.625 1.00 0.00 O ATOM 357 OD2 ASP A 28 7.047 4.822 2.400 1.00 0.00 O ATOM 0 H ASP A 28 5.087 1.016 -0.493 1.00 0.00 H new ATOM 0 HA ASP A 28 5.524 3.715 -0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.900 2.389 1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.105 2.418 0.616 1.00 0.00 H new ATOM 361 N VAL A 29 7.654 3.439 -1.796 1.00 0.00 N ATOM 362 CA VAL A 29 8.360 3.315 -3.060 1.00 0.00 C ATOM 363 C VAL A 29 9.817 3.743 -2.869 1.00 0.00 C ATOM 364 O VAL A 29 10.087 4.874 -2.469 1.00 0.00 O ATOM 365 CB VAL A 29 7.638 4.117 -4.144 1.00 0.00 C ATOM 366 CG1 VAL A 29 7.401 5.560 -3.692 1.00 0.00 C ATOM 367 CG2 VAL A 29 8.412 4.077 -5.463 1.00 0.00 C ATOM 0 H VAL A 29 7.897 4.266 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 29 8.367 2.277 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 29 6.666 3.654 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.886 6.108 -4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.790 5.563 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.358 6.038 -3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.877 4.655 -6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.404 4.503 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.507 3.044 -5.798 1.00 0.00 H new ATOM 377 N TRP A 30 10.716 2.817 -3.164 1.00 0.00 N ATOM 378 CA TRP A 30 12.138 3.085 -3.030 1.00 0.00 C ATOM 379 C TRP A 30 12.857 2.423 -4.208 1.00 0.00 C ATOM 380 O TRP A 30 12.435 1.372 -4.686 1.00 0.00 O ATOM 381 CB TRP A 30 12.659 2.613 -1.671 1.00 0.00 C ATOM 382 CG TRP A 30 12.746 1.092 -1.532 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.791 0.297 -1.806 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.702 0.209 -1.071 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.496 -1.028 -1.556 1.00 0.00 N ATOM 386 CE2 TRP A 30 12.187 -1.084 -1.095 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.392 0.492 -0.647 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.428 -2.194 -0.707 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.646 -0.628 -0.263 1.00 0.00 C ATOM 390 CH2 TRP A 30 10.119 -1.935 -0.281 1.00 0.00 C ATOM 0 H TRP A 30 10.488 1.880 -3.495 1.00 0.00 H new ATOM 0 HA TRP A 30 12.333 4.157 -3.061 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.648 3.040 -1.504 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.008 3.002 -0.889 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.743 0.649 -2.175 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.124 -1.821 -1.686 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.993 1.495 -0.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.830 -3.196 -0.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.632 -0.466 0.071 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.480 -2.747 0.032 1.00 0.00 H new ATOM 400 N GLY A 31 13.930 3.067 -4.642 1.00 0.00 N ATOM 401 CA GLY A 31 14.711 2.555 -5.755 1.00 0.00 C ATOM 402 C GLY A 31 13.803 2.095 -6.896 1.00 0.00 C ATOM 403 O GLY A 31 14.066 1.074 -7.530 1.00 0.00 O ATOM 0 H GLY A 31 14.277 3.939 -4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 31 15.389 3.329 -6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.328 1.722 -5.418 1.00 0.00 H new ATOM 407 N GLU A 32 12.753 2.870 -7.124 1.00 0.00 N ATOM 408 CA GLU A 32 11.805 2.555 -8.178 1.00 0.00 C ATOM 409 C GLU A 32 11.003 1.304 -7.815 1.00 0.00 C ATOM 410 O GLU A 32 10.224 0.804 -8.624 1.00 0.00 O ATOM 411 CB GLU A 32 12.516 2.378 -9.521 1.00 0.00 C ATOM 412 CG GLU A 32 13.349 3.615 -9.867 1.00 0.00 C ATOM 413 CD GLU A 32 14.417 3.282 -10.910 1.00 0.00 C ATOM 414 OE1 GLU A 32 14.040 3.190 -12.099 1.00 0.00 O ATOM 415 OE2 GLU A 32 15.586 3.126 -10.497 1.00 0.00 O ATOM 0 H GLU A 32 12.538 3.716 -6.596 1.00 0.00 H new ATOM 0 HA GLU A 32 11.113 3.391 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.161 1.500 -9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.781 2.199 -10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.698 4.402 -10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.824 4.002 -8.965 1.00 0.00 H new ATOM 420 N ASN A 33 11.222 0.834 -6.595 1.00 0.00 N ATOM 421 CA ASN A 33 10.529 -0.349 -6.114 1.00 0.00 C ATOM 422 C ASN A 33 9.319 0.077 -5.281 1.00 0.00 C ATOM 423 O ASN A 33 9.467 0.757 -4.267 1.00 0.00 O ATOM 424 CB ASN A 33 11.440 -1.198 -5.224 1.00 0.00 C ATOM 425 CG ASN A 33 12.803 -1.416 -5.885 1.00 0.00 C ATOM 426 OD1 ASN A 33 13.032 -2.388 -6.586 1.00 0.00 O ATOM 427 ND2 ASN A 33 13.691 -0.461 -5.624 1.00 0.00 N ATOM 0 H ASN A 33 11.869 1.251 -5.926 1.00 0.00 H new ATOM 0 HA ASN A 33 10.223 -0.935 -6.980 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.574 -0.707 -4.260 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.968 -2.161 -5.028 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.630 -0.516 -6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.433 0.326 -5.029 1.00 0.00 H new ATOM 433 N VAL A 34 8.149 -0.341 -5.739 1.00 0.00 N ATOM 434 CA VAL A 34 6.913 -0.011 -5.049 1.00 0.00 C ATOM 435 C VAL A 34 6.516 -1.176 -4.139 1.00 0.00 C ATOM 436 O VAL A 34 6.519 -2.330 -4.563 1.00 0.00 O ATOM 437 CB VAL A 34 5.827 0.351 -6.063 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.482 -0.261 -5.668 1.00 0.00 C ATOM 439 CG2 VAL A 34 5.712 1.868 -6.226 1.00 0.00 C ATOM 0 H VAL A 34 8.030 -0.906 -6.580 1.00 0.00 H new ATOM 0 HA VAL A 34 7.052 0.865 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 34 6.116 -0.068 -7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.727 0.012 -6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.574 -1.346 -5.627 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.185 0.115 -4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.933 2.098 -6.953 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.458 2.319 -5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.663 2.270 -6.575 1.00 0.00 H new ATOM 449 N ALA A 35 6.183 -0.832 -2.902 1.00 0.00 N ATOM 450 CA ALA A 35 5.785 -1.834 -1.928 1.00 0.00 C ATOM 451 C ALA A 35 4.259 -1.854 -1.820 1.00 0.00 C ATOM 452 O ALA A 35 3.647 -0.861 -1.430 1.00 0.00 O ATOM 453 CB ALA A 35 6.461 -1.540 -0.588 1.00 0.00 C ATOM 0 H ALA A 35 6.181 0.126 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 35 6.107 -2.826 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.162 -2.292 0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.543 -1.565 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.159 -0.553 -0.237 1.00 0.00 H new ATOM 459 N LEU A 36 3.688 -2.997 -2.170 1.00 0.00 N ATOM 460 CA LEU A 36 2.245 -3.160 -2.116 1.00 0.00 C ATOM 461 C LEU A 36 1.851 -3.734 -0.755 1.00 0.00 C ATOM 462 O LEU A 36 2.597 -4.517 -0.167 1.00 0.00 O ATOM 463 CB LEU A 36 1.756 -3.996 -3.302 1.00 0.00 C ATOM 464 CG LEU A 36 1.766 -3.300 -4.664 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.798 -4.322 -5.802 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.588 -2.333 -4.794 1.00 0.00 C ATOM 0 H LEU A 36 4.198 -3.819 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 36 1.749 -2.194 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.374 -4.891 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.739 -4.327 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 36 2.678 -2.708 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.805 -3.801 -6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.696 -4.934 -5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.917 -4.960 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.619 -1.851 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.347 -2.883 -4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.652 -1.575 -4.014 1.00 0.00 H new ATOM 477 N THR A 37 0.680 -3.324 -0.292 1.00 0.00 N ATOM 478 CA THR A 37 0.178 -3.788 0.991 1.00 0.00 C ATOM 479 C THR A 37 -1.351 -3.833 0.981 1.00 0.00 C ATOM 480 O THR A 37 -2.007 -2.792 0.985 1.00 0.00 O ATOM 481 CB THR A 37 0.751 -2.879 2.080 1.00 0.00 C ATOM 482 OG1 THR A 37 0.936 -1.626 1.427 1.00 0.00 O ATOM 483 CG2 THR A 37 2.163 -3.291 2.501 1.00 0.00 C ATOM 0 H THR A 37 0.064 -2.675 -0.782 1.00 0.00 H new ATOM 0 HA THR A 37 0.501 -4.809 1.196 1.00 0.00 H new ATOM 0 HB THR A 37 0.093 -2.894 2.949 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.209 -1.481 0.786 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.524 -2.614 3.276 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.144 -4.310 2.889 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.828 -3.243 1.639 1.00 0.00 H new ATOM 491 N TRP A 38 -1.876 -5.049 0.968 1.00 0.00 N ATOM 492 CA TRP A 38 -3.316 -5.244 0.957 1.00 0.00 C ATOM 493 C TRP A 38 -3.693 -6.059 2.195 1.00 0.00 C ATOM 494 O TRP A 38 -2.882 -6.831 2.704 1.00 0.00 O ATOM 495 CB TRP A 38 -3.771 -5.896 -0.350 1.00 0.00 C ATOM 496 CG TRP A 38 -3.154 -7.273 -0.607 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.623 -8.470 -0.229 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.928 -7.546 -1.316 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.793 -9.491 -0.643 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.729 -8.912 -1.324 1.00 0.00 C ATOM 501 CE3 TRP A 38 -1.017 -6.669 -1.930 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.625 -9.522 -1.933 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.081 -7.294 -2.533 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.296 -8.668 -2.551 1.00 0.00 C ATOM 0 H TRP A 38 -1.329 -5.910 0.965 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.835 -4.286 1.000 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.857 -5.992 -0.337 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.519 -5.236 -1.180 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.536 -8.617 0.329 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.934 -10.488 -0.479 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.153 -5.598 -1.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.491 -10.594 -1.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.813 -6.665 -3.018 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.169 -9.074 -3.039 1.00 0.00 H new ATOM 514 N THR A 39 -4.923 -5.859 2.644 1.00 0.00 N ATOM 515 CA THR A 39 -5.417 -6.567 3.813 1.00 0.00 C ATOM 516 C THR A 39 -6.083 -7.880 3.399 1.00 0.00 C ATOM 517 O THR A 39 -6.455 -8.054 2.240 1.00 0.00 O ATOM 518 CB THR A 39 -6.351 -5.625 4.575 1.00 0.00 C ATOM 519 OG1 THR A 39 -7.305 -5.216 3.599 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.661 -4.324 4.990 1.00 0.00 C ATOM 0 H THR A 39 -5.592 -5.217 2.220 1.00 0.00 H new ATOM 0 HA THR A 39 -4.602 -6.849 4.479 1.00 0.00 H new ATOM 0 HB THR A 39 -6.732 -6.132 5.461 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.892 -4.531 3.982 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.368 -3.692 5.527 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.814 -4.552 5.637 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.308 -3.800 4.102 1.00 0.00 H new ATOM 528 N PRO A 40 -6.218 -8.795 4.397 1.00 0.00 N ATOM 529 CA PRO A 40 -6.833 -10.088 4.149 1.00 0.00 C ATOM 530 C PRO A 40 -8.352 -9.956 4.017 1.00 0.00 C ATOM 531 O PRO A 40 -8.929 -8.948 4.423 1.00 0.00 O ATOM 532 CB PRO A 40 -6.412 -10.956 5.322 1.00 0.00 C ATOM 533 CG PRO A 40 -5.966 -9.995 6.413 1.00 0.00 C ATOM 534 CD PRO A 40 -5.790 -8.624 5.782 1.00 0.00 C ATOM 0 HA PRO A 40 -6.512 -10.533 3.207 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.239 -11.578 5.664 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.602 -11.629 5.039 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.706 -9.955 7.213 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.031 -10.332 6.860 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.393 -7.873 6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.753 -8.293 5.838 1.00 0.00 H new ATOM 539 N PRO A 41 -8.973 -11.016 3.433 1.00 0.00 N ATOM 540 CA PRO A 41 -10.413 -11.028 3.243 1.00 0.00 C ATOM 541 C PRO A 41 -11.137 -11.287 4.567 1.00 0.00 C ATOM 542 O PRO A 41 -10.978 -12.348 5.169 1.00 0.00 O ATOM 543 CB PRO A 41 -10.664 -12.111 2.207 1.00 0.00 C ATOM 544 CG PRO A 41 -9.416 -12.978 2.198 1.00 0.00 C ATOM 545 CD PRO A 41 -8.322 -12.227 2.941 1.00 0.00 C ATOM 0 HA PRO A 41 -10.801 -10.069 2.899 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.546 -12.699 2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.844 -11.676 1.224 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.614 -13.937 2.677 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.106 -13.191 1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.920 -12.822 3.761 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.487 -11.988 2.282 1.00 0.00 H new ATOM 550 N LYS A 42 -11.920 -10.301 4.979 1.00 0.00 N ATOM 551 CA LYS A 42 -12.671 -10.409 6.218 1.00 0.00 C ATOM 552 C LYS A 42 -13.853 -11.357 6.013 1.00 0.00 C ATOM 553 O LYS A 42 -14.542 -11.713 6.969 1.00 0.00 O ATOM 554 CB LYS A 42 -13.074 -9.022 6.722 1.00 0.00 C ATOM 555 CG LYS A 42 -12.137 -8.549 7.836 1.00 0.00 C ATOM 556 CD LYS A 42 -12.901 -7.752 8.895 1.00 0.00 C ATOM 557 CE LYS A 42 -12.409 -6.304 8.952 1.00 0.00 C ATOM 558 NZ LYS A 42 -12.595 -5.748 10.311 1.00 0.00 N ATOM 0 H LYS A 42 -12.051 -9.423 4.476 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.050 -10.840 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.051 -8.311 5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.099 -9.049 7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.656 -9.409 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.345 -7.931 7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.967 -7.769 8.669 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.774 -8.222 9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.356 -6.260 8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.954 -5.699 8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.256 -4.765 10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.604 -5.772 10.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.055 -6.316 10.995 1.00 0.00 H new ATOM 630 N ILE A 49 -9.428 -19.212 -0.866 1.00 0.00 N ATOM 631 CA ILE A 49 -8.661 -18.358 -1.756 1.00 0.00 C ATOM 632 C ILE A 49 -7.509 -19.162 -2.361 1.00 0.00 C ATOM 633 O ILE A 49 -6.597 -19.579 -1.649 1.00 0.00 O ATOM 634 CB ILE A 49 -8.210 -17.091 -1.026 1.00 0.00 C ATOM 635 CG1 ILE A 49 -9.398 -16.171 -0.738 1.00 0.00 C ATOM 636 CG2 ILE A 49 -7.104 -16.375 -1.803 1.00 0.00 C ATOM 637 CD1 ILE A 49 -9.812 -16.252 0.733 1.00 0.00 C ATOM 0 HA ILE A 49 -9.282 -18.017 -2.585 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.789 -17.383 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.136 -15.143 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -10.240 -16.449 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.802 -15.478 -1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.247 -17.039 -1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.474 -16.097 -2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.658 -15.588 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -10.097 -17.276 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.976 -15.950 1.363 1.00 0.00 H new ATOM 648 N THR A 50 -7.588 -19.356 -3.670 1.00 0.00 N ATOM 649 CA THR A 50 -6.563 -20.102 -4.379 1.00 0.00 C ATOM 650 C THR A 50 -5.250 -19.318 -4.400 1.00 0.00 C ATOM 651 O THR A 50 -4.187 -19.872 -4.122 1.00 0.00 O ATOM 652 CB THR A 50 -7.098 -20.430 -5.775 1.00 0.00 C ATOM 653 OG1 THR A 50 -7.972 -21.534 -5.561 1.00 0.00 O ATOM 654 CG2 THR A 50 -6.014 -20.987 -6.700 1.00 0.00 C ATOM 0 H THR A 50 -8.346 -19.009 -4.257 1.00 0.00 H new ATOM 0 HA THR A 50 -6.336 -21.040 -3.873 1.00 0.00 H new ATOM 0 HB THR A 50 -7.529 -19.533 -6.219 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.365 -21.811 -6.415 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.446 -21.203 -7.677 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.217 -20.252 -6.810 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.607 -21.903 -6.273 1.00 0.00 H new ATOM 662 N GLY A 51 -5.365 -18.041 -4.732 1.00 0.00 N ATOM 663 CA GLY A 51 -4.200 -17.175 -4.793 1.00 0.00 C ATOM 664 C GLY A 51 -4.606 -15.729 -5.085 1.00 0.00 C ATOM 665 O GLY A 51 -5.792 -15.426 -5.202 1.00 0.00 O ATOM 0 H GLY A 51 -6.248 -17.585 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.659 -17.221 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.520 -17.529 -5.568 1.00 0.00 H new ATOM 669 N TYR A 52 -3.599 -14.876 -5.193 1.00 0.00 N ATOM 670 CA TYR A 52 -3.836 -13.469 -5.469 1.00 0.00 C ATOM 671 C TYR A 52 -3.035 -13.007 -6.688 1.00 0.00 C ATOM 672 O TYR A 52 -1.829 -13.238 -6.767 1.00 0.00 O ATOM 673 CB TYR A 52 -3.348 -12.709 -4.235 1.00 0.00 C ATOM 674 CG TYR A 52 -3.927 -13.226 -2.916 1.00 0.00 C ATOM 675 CD1 TYR A 52 -3.346 -14.308 -2.286 1.00 0.00 C ATOM 676 CD2 TYR A 52 -5.028 -12.612 -2.358 1.00 0.00 C ATOM 677 CE1 TYR A 52 -3.889 -14.796 -1.045 1.00 0.00 C ATOM 678 CE2 TYR A 52 -5.573 -13.100 -1.117 1.00 0.00 C ATOM 679 CZ TYR A 52 -4.976 -14.168 -0.521 1.00 0.00 C ATOM 680 OH TYR A 52 -5.490 -14.628 0.651 1.00 0.00 O ATOM 0 H TYR A 52 -2.616 -15.132 -5.094 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.891 -13.292 -5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.261 -12.769 -4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.605 -11.655 -4.345 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.484 -14.789 -2.724 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.482 -11.765 -2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.443 -15.641 -0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.436 -12.629 -0.670 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.263 -14.083 0.905 1.00 0.00 H new ATOM 689 N THR A 53 -3.737 -12.362 -7.608 1.00 0.00 N ATOM 690 CA THR A 53 -3.106 -11.865 -8.820 1.00 0.00 C ATOM 691 C THR A 53 -2.839 -10.363 -8.704 1.00 0.00 C ATOM 692 O THR A 53 -3.738 -9.592 -8.371 1.00 0.00 O ATOM 693 CB THR A 53 -4.001 -12.233 -10.004 1.00 0.00 C ATOM 694 OG1 THR A 53 -3.825 -13.640 -10.148 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.489 -11.657 -11.326 1.00 0.00 C ATOM 0 H THR A 53 -4.737 -12.172 -7.539 1.00 0.00 H new ATOM 0 HA THR A 53 -2.131 -12.326 -8.976 1.00 0.00 H new ATOM 0 HB THR A 53 -5.013 -11.874 -9.819 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.372 -13.963 -10.894 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.160 -11.948 -12.134 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.452 -10.570 -11.259 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.490 -12.043 -11.528 1.00 0.00 H new ATOM 703 N ILE A 54 -1.598 -9.992 -8.985 1.00 0.00 N ATOM 704 CA ILE A 54 -1.201 -8.596 -8.917 1.00 0.00 C ATOM 705 C ILE A 54 -0.894 -8.088 -10.327 1.00 0.00 C ATOM 706 O ILE A 54 -0.394 -8.837 -11.165 1.00 0.00 O ATOM 707 CB ILE A 54 -0.043 -8.416 -7.932 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.449 -8.850 -6.522 1.00 0.00 C ATOM 709 CG2 ILE A 54 0.482 -6.979 -7.960 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.322 -10.099 -6.090 1.00 0.00 C ATOM 0 H ILE A 54 -0.855 -10.634 -9.260 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.017 -7.986 -8.529 1.00 0.00 H new ATOM 0 HB ILE A 54 0.775 -9.065 -8.245 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.258 -8.039 -5.819 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.520 -9.051 -6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.304 -6.878 -7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.836 -6.740 -8.963 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.320 -6.293 -7.686 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.015 -10.387 -5.084 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.110 -10.915 -6.781 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.391 -9.887 -6.096 1.00 0.00 H new ATOM 721 N GLN A 55 -1.206 -6.820 -10.545 1.00 0.00 N ATOM 722 CA GLN A 55 -0.971 -6.203 -11.839 1.00 0.00 C ATOM 723 C GLN A 55 -0.734 -4.700 -11.676 1.00 0.00 C ATOM 724 O GLN A 55 -1.187 -4.099 -10.703 1.00 0.00 O ATOM 725 CB GLN A 55 -2.134 -6.473 -12.796 1.00 0.00 C ATOM 726 CG GLN A 55 -2.656 -7.902 -12.633 1.00 0.00 C ATOM 727 CD GLN A 55 -3.803 -8.180 -13.607 1.00 0.00 C ATOM 728 OE1 GLN A 55 -4.465 -7.282 -14.101 1.00 0.00 O ATOM 729 NE2 GLN A 55 -4.001 -9.473 -13.855 1.00 0.00 N ATOM 0 H GLN A 55 -1.620 -6.202 -9.847 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.076 -6.648 -12.273 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.939 -5.764 -12.605 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.808 -6.316 -13.824 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.846 -8.611 -12.807 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.998 -8.054 -11.609 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.410 -10.174 -13.408 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.743 -9.762 -14.492 1.00 0.00 H new ATOM 736 N LYS A 56 -0.025 -4.136 -12.643 1.00 0.00 N ATOM 737 CA LYS A 56 0.278 -2.715 -12.618 1.00 0.00 C ATOM 738 C LYS A 56 -0.483 -2.016 -13.748 1.00 0.00 C ATOM 739 O LYS A 56 -0.883 -2.656 -14.720 1.00 0.00 O ATOM 740 CB LYS A 56 1.790 -2.489 -12.664 1.00 0.00 C ATOM 741 CG LYS A 56 2.479 -3.145 -11.466 1.00 0.00 C ATOM 742 CD LYS A 56 4.000 -3.143 -11.638 1.00 0.00 C ATOM 743 CE LYS A 56 4.397 -3.698 -13.008 1.00 0.00 C ATOM 744 NZ LYS A 56 5.834 -4.053 -13.026 1.00 0.00 N ATOM 0 H LYS A 56 0.348 -4.638 -13.449 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.059 -2.270 -11.682 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.194 -2.898 -13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.002 -1.420 -12.669 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.212 -2.613 -10.553 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.124 -4.169 -11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.381 -2.128 -11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.459 -3.742 -10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.796 -4.578 -13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.189 -2.958 -13.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.087 -4.428 -13.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.403 -3.206 -12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.022 -4.775 -12.302 1.00 0.00 H new ATOM 754 N ALA A 57 -0.660 -0.714 -13.580 1.00 0.00 N ATOM 755 CA ALA A 57 -1.365 0.078 -14.574 1.00 0.00 C ATOM 756 C ALA A 57 -0.958 1.546 -14.432 1.00 0.00 C ATOM 757 O ALA A 57 -1.222 2.170 -13.405 1.00 0.00 O ATOM 758 CB ALA A 57 -2.873 -0.127 -14.414 1.00 0.00 C ATOM 0 H ALA A 57 -0.328 -0.188 -12.772 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.097 -0.243 -15.581 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.402 0.467 -15.159 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.114 -1.181 -14.552 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.179 0.187 -13.416 1.00 0.00 H new ATOM 764 N ASP A 58 -0.324 2.055 -15.478 1.00 0.00 N ATOM 765 CA ASP A 58 0.122 3.438 -15.482 1.00 0.00 C ATOM 766 C ASP A 58 -1.088 4.358 -15.654 1.00 0.00 C ATOM 767 O ASP A 58 -2.215 3.887 -15.794 1.00 0.00 O ATOM 768 CB ASP A 58 1.086 3.702 -16.642 1.00 0.00 C ATOM 769 CG ASP A 58 2.551 3.880 -16.237 1.00 0.00 C ATOM 770 OD1 ASP A 58 2.821 4.853 -15.501 1.00 0.00 O ATOM 771 OD2 ASP A 58 3.366 3.039 -16.674 1.00 0.00 O ATOM 0 H ASP A 58 -0.109 1.535 -16.328 1.00 0.00 H new ATOM 0 HA ASP A 58 0.632 3.632 -14.538 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.018 2.874 -17.347 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.759 4.598 -17.170 1.00 0.00 H new ATOM 775 N LYS A 59 -0.812 5.654 -15.638 1.00 0.00 N ATOM 776 CA LYS A 59 -1.863 6.645 -15.789 1.00 0.00 C ATOM 777 C LYS A 59 -2.044 6.968 -17.274 1.00 0.00 C ATOM 778 O LYS A 59 -2.632 7.990 -17.623 1.00 0.00 O ATOM 779 CB LYS A 59 -1.572 7.873 -14.924 1.00 0.00 C ATOM 780 CG LYS A 59 -2.473 7.898 -13.687 1.00 0.00 C ATOM 781 CD LYS A 59 -3.541 8.986 -13.809 1.00 0.00 C ATOM 782 CE LYS A 59 -4.893 8.386 -14.198 1.00 0.00 C ATOM 783 NZ LYS A 59 -5.874 9.458 -14.484 1.00 0.00 N ATOM 0 H LYS A 59 0.125 6.040 -15.523 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.813 6.249 -15.430 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.526 7.866 -14.617 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.726 8.779 -15.509 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.951 6.927 -13.561 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.869 8.074 -12.797 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.634 9.517 -12.862 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.236 9.718 -14.556 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.776 7.749 -15.075 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.262 7.753 -13.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.786 9.033 -14.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.998 10.050 -13.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.527 10.045 -15.269 1.00 0.00 H new ATOM 793 N LYS A 60 -1.526 6.078 -18.107 1.00 0.00 N ATOM 794 CA LYS A 60 -1.622 6.256 -19.547 1.00 0.00 C ATOM 795 C LYS A 60 -3.060 5.987 -19.994 1.00 0.00 C ATOM 796 O LYS A 60 -3.703 6.855 -20.582 1.00 0.00 O ATOM 797 CB LYS A 60 -0.583 5.391 -20.263 1.00 0.00 C ATOM 798 CG LYS A 60 0.739 6.144 -20.426 1.00 0.00 C ATOM 799 CD LYS A 60 1.924 5.262 -20.031 1.00 0.00 C ATOM 800 CE LYS A 60 2.959 5.197 -21.156 1.00 0.00 C ATOM 801 NZ LYS A 60 2.952 3.860 -21.791 1.00 0.00 N ATOM 0 H LYS A 60 -1.038 5.232 -17.813 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.390 7.285 -19.821 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.416 4.474 -19.698 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.961 5.097 -21.242 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.852 6.469 -21.460 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.728 7.043 -19.809 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.389 5.655 -19.127 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.572 4.257 -19.798 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.742 5.961 -21.902 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.951 5.412 -20.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.660 3.833 -22.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.181 3.137 -21.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.010 3.669 -22.188 1.00 0.00 H new ATOM 811 N SER A 61 -3.522 4.781 -19.698 1.00 0.00 N ATOM 812 CA SER A 61 -4.873 4.387 -20.064 1.00 0.00 C ATOM 813 C SER A 61 -5.394 3.334 -19.084 1.00 0.00 C ATOM 814 O SER A 61 -6.276 2.547 -19.424 1.00 0.00 O ATOM 815 CB SER A 61 -4.922 3.851 -21.496 1.00 0.00 C ATOM 816 OG SER A 61 -5.193 4.882 -22.442 1.00 0.00 O ATOM 0 H SER A 61 -2.986 4.064 -19.209 1.00 0.00 H new ATOM 0 HA SER A 61 -5.512 5.269 -20.014 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.971 3.377 -21.739 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.690 3.081 -21.569 1.00 0.00 H new ATOM 0 HG SER A 61 -4.817 5.728 -22.121 1.00 0.00 H new ATOM 821 N MET A 62 -4.825 3.352 -17.888 1.00 0.00 N ATOM 822 CA MET A 62 -5.220 2.407 -16.856 1.00 0.00 C ATOM 823 C MET A 62 -5.191 0.973 -17.386 1.00 0.00 C ATOM 824 O MET A 62 -6.094 0.185 -17.106 1.00 0.00 O ATOM 825 CB MET A 62 -6.631 2.744 -16.370 1.00 0.00 C ATOM 826 CG MET A 62 -6.648 4.073 -15.612 1.00 0.00 C ATOM 827 SD MET A 62 -7.296 3.829 -13.967 1.00 0.00 S ATOM 828 CE MET A 62 -5.952 2.911 -13.236 1.00 0.00 C ATOM 0 H MET A 62 -4.093 4.006 -17.610 1.00 0.00 H new ATOM 0 HA MET A 62 -4.513 2.483 -16.030 1.00 0.00 H new ATOM 0 HB2 MET A 62 -7.309 2.798 -17.222 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.996 1.947 -15.722 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.639 4.483 -15.557 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.259 4.799 -16.148 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.352 2.077 -12.659 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.302 2.529 -14.023 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.379 3.565 -12.579 1.00 0.00 H new ATOM 836 N GLU A 63 -4.146 0.677 -18.144 1.00 0.00 N ATOM 837 CA GLU A 63 -3.987 -0.650 -18.716 1.00 0.00 C ATOM 838 C GLU A 63 -3.425 -1.615 -17.670 1.00 0.00 C ATOM 839 O GLU A 63 -2.465 -1.291 -16.974 1.00 0.00 O ATOM 840 CB GLU A 63 -3.095 -0.607 -19.958 1.00 0.00 C ATOM 841 CG GLU A 63 -3.688 0.312 -21.028 1.00 0.00 C ATOM 842 CD GLU A 63 -3.396 -0.220 -22.432 1.00 0.00 C ATOM 843 OE1 GLU A 63 -2.226 -0.096 -22.854 1.00 0.00 O ATOM 844 OE2 GLU A 63 -4.349 -0.739 -23.052 1.00 0.00 O ATOM 0 H GLU A 63 -3.400 1.333 -18.376 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.968 -1.012 -19.025 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.100 -0.257 -19.683 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.979 -1.613 -20.361 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.765 0.396 -20.884 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.273 1.314 -20.922 1.00 0.00 H new ATOM 849 N TRP A 64 -4.049 -2.782 -17.593 1.00 0.00 N ATOM 850 CA TRP A 64 -3.623 -3.797 -16.644 1.00 0.00 C ATOM 851 C TRP A 64 -3.059 -4.978 -17.437 1.00 0.00 C ATOM 852 O TRP A 64 -3.700 -5.471 -18.363 1.00 0.00 O ATOM 853 CB TRP A 64 -4.771 -4.194 -15.714 1.00 0.00 C ATOM 854 CG TRP A 64 -5.464 -3.009 -15.039 1.00 0.00 C ATOM 855 CD1 TRP A 64 -6.563 -2.356 -15.442 1.00 0.00 C ATOM 856 CD2 TRP A 64 -5.057 -2.358 -13.817 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.892 -1.336 -14.573 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.947 -1.337 -13.553 1.00 0.00 C ATOM 859 CE3 TRP A 64 -3.972 -2.622 -12.962 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -5.844 -0.499 -12.436 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -3.883 -1.776 -11.851 1.00 0.00 C ATOM 862 CH2 TRP A 64 -4.772 -0.744 -11.571 1.00 0.00 C ATOM 0 H TRP A 64 -4.846 -3.047 -18.172 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.840 -3.411 -15.991 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.510 -4.756 -16.285 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.386 -4.863 -14.944 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.121 -2.598 -16.335 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.683 -0.698 -14.662 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.263 -3.415 -13.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.554 0.294 -12.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.066 -1.936 -11.163 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.636 -0.134 -10.690 1.00 0.00 H new ATOM 872 N PHE A 65 -1.866 -5.397 -17.042 1.00 0.00 N ATOM 873 CA PHE A 65 -1.207 -6.511 -17.705 1.00 0.00 C ATOM 874 C PHE A 65 -1.091 -7.714 -16.766 1.00 0.00 C ATOM 875 O PHE A 65 -1.964 -8.581 -16.749 1.00 0.00 O ATOM 876 CB PHE A 65 0.196 -6.039 -18.087 1.00 0.00 C ATOM 877 CG PHE A 65 0.257 -5.282 -19.415 1.00 0.00 C ATOM 878 CD1 PHE A 65 -0.398 -4.099 -19.554 1.00 0.00 C ATOM 879 CD2 PHE A 65 0.968 -5.792 -20.457 1.00 0.00 C ATOM 880 CE1 PHE A 65 -0.341 -3.395 -20.787 1.00 0.00 C ATOM 881 CE2 PHE A 65 1.025 -5.089 -21.689 1.00 0.00 C ATOM 882 CZ PHE A 65 0.369 -3.906 -21.828 1.00 0.00 C ATOM 0 H PHE A 65 -1.338 -4.986 -16.272 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.783 -6.819 -18.578 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.580 -5.395 -17.296 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.857 -6.904 -18.143 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.962 -3.694 -18.727 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.489 -6.732 -20.347 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.861 -2.455 -20.897 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.589 -5.494 -22.516 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.412 -3.372 -22.766 1.00 0.00 H new ATOM 891 N THR A 66 -0.004 -7.729 -16.009 1.00 0.00 N ATOM 892 CA THR A 66 0.239 -8.812 -15.070 1.00 0.00 C ATOM 893 C THR A 66 1.604 -8.641 -14.401 1.00 0.00 C ATOM 894 O THR A 66 2.551 -8.165 -15.026 1.00 0.00 O ATOM 895 CB THR A 66 0.095 -10.134 -15.827 1.00 0.00 C ATOM 896 OG1 THR A 66 -1.251 -10.533 -15.574 1.00 0.00 O ATOM 897 CG2 THR A 66 0.936 -11.254 -15.212 1.00 0.00 C ATOM 0 H THR A 66 0.718 -7.009 -16.026 1.00 0.00 H new ATOM 0 HA THR A 66 -0.489 -8.804 -14.259 1.00 0.00 H new ATOM 0 HB THR A 66 0.385 -9.991 -16.868 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.841 -9.753 -15.635 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.798 -12.170 -15.786 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.988 -10.970 -15.229 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.622 -11.421 -14.182 1.00 0.00 H new ATOM 905 N VAL A 67 1.662 -9.039 -13.138 1.00 0.00 N ATOM 906 CA VAL A 67 2.896 -8.935 -12.377 1.00 0.00 C ATOM 907 C VAL A 67 3.210 -10.288 -11.735 1.00 0.00 C ATOM 908 O VAL A 67 4.349 -10.748 -11.772 1.00 0.00 O ATOM 909 CB VAL A 67 2.788 -7.800 -11.357 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.897 -7.899 -10.307 1.00 0.00 C ATOM 911 CG2 VAL A 67 2.809 -6.436 -12.050 1.00 0.00 C ATOM 0 H VAL A 67 0.875 -9.434 -12.623 1.00 0.00 H new ATOM 0 HA VAL A 67 3.729 -8.685 -13.034 1.00 0.00 H new ATOM 0 HB VAL A 67 1.831 -7.900 -10.844 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.797 -7.080 -9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.816 -8.850 -9.781 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.869 -7.837 -10.797 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.731 -5.647 -11.302 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.742 -6.322 -12.601 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.969 -6.366 -12.741 1.00 0.00 H new ATOM 921 N ILE A 68 2.176 -10.888 -11.162 1.00 0.00 N ATOM 922 CA ILE A 68 2.328 -12.180 -10.513 1.00 0.00 C ATOM 923 C ILE A 68 0.983 -12.912 -10.527 1.00 0.00 C ATOM 924 O ILE A 68 -0.071 -12.282 -10.467 1.00 0.00 O ATOM 925 CB ILE A 68 2.922 -12.010 -9.114 1.00 0.00 C ATOM 926 CG1 ILE A 68 3.963 -13.093 -8.826 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.821 -11.976 -8.051 1.00 0.00 C ATOM 928 CD1 ILE A 68 4.841 -12.706 -7.634 1.00 0.00 C ATOM 0 H ILE A 68 1.231 -10.504 -11.134 1.00 0.00 H new ATOM 0 HA ILE A 68 3.036 -12.802 -11.060 1.00 0.00 H new ATOM 0 HB ILE A 68 3.436 -11.050 -9.075 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.462 -14.039 -8.621 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.586 -13.247 -9.707 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.270 -11.854 -7.065 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.150 -11.141 -8.249 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.258 -12.909 -8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.573 -13.493 -7.450 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.359 -11.772 -7.852 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.217 -12.577 -6.749 1.00 0.00 H new ATOM 939 N GLU A 69 1.066 -14.232 -10.603 1.00 0.00 N ATOM 940 CA GLU A 69 -0.130 -15.057 -10.625 1.00 0.00 C ATOM 941 C GLU A 69 0.047 -16.271 -9.712 1.00 0.00 C ATOM 942 O GLU A 69 1.110 -16.888 -9.691 1.00 0.00 O ATOM 943 CB GLU A 69 -0.472 -15.489 -12.052 1.00 0.00 C ATOM 944 CG GLU A 69 -0.788 -14.278 -12.931 1.00 0.00 C ATOM 945 CD GLU A 69 -2.218 -14.348 -13.470 1.00 0.00 C ATOM 946 OE1 GLU A 69 -2.671 -15.483 -13.729 1.00 0.00 O ATOM 947 OE2 GLU A 69 -2.826 -13.264 -13.609 1.00 0.00 O ATOM 0 H GLU A 69 1.943 -14.751 -10.650 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.964 -14.464 -10.251 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.364 -16.044 -12.478 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.327 -16.164 -12.036 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.658 -13.362 -12.355 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.084 -14.234 -13.762 1.00 0.00 H new ATOM 952 N HIS A 70 -1.014 -16.579 -8.978 1.00 0.00 N ATOM 953 CA HIS A 70 -0.988 -17.709 -8.064 1.00 0.00 C ATOM 954 C HIS A 70 -0.078 -17.390 -6.877 1.00 0.00 C ATOM 955 O HIS A 70 0.796 -18.181 -6.530 1.00 0.00 O ATOM 956 CB HIS A 70 -0.583 -18.990 -8.796 1.00 0.00 C ATOM 957 CG HIS A 70 -1.198 -19.136 -10.166 1.00 0.00 C ATOM 958 ND1 HIS A 70 -0.869 -18.557 -11.357 1.00 0.00 N flip ATOM 959 CD2 HIS A 70 -2.284 -19.957 -10.418 1.00 0.00 C flip ATOM 960 CE1 HIS A 70 -1.708 -19.001 -12.286 1.00 0.00 C flip ATOM 961 NE2 HIS A 70 -2.586 -19.869 -11.704 1.00 0.00 N flip ATOM 0 H HIS A 70 -1.895 -16.066 -8.998 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.989 -17.886 -7.670 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.502 -19.013 -8.892 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.868 -19.849 -8.188 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.798 -20.566 -9.689 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.697 -18.722 -13.329 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.342 -20.363 -12.177 1.00 0.00 H new ATOM 968 N TYR A 71 -0.315 -16.227 -6.287 1.00 0.00 N ATOM 969 CA TYR A 71 0.474 -15.793 -5.145 1.00 0.00 C ATOM 970 C TYR A 71 -0.153 -16.270 -3.833 1.00 0.00 C ATOM 971 O TYR A 71 -1.179 -16.948 -3.842 1.00 0.00 O ATOM 972 CB TYR A 71 0.456 -14.263 -5.179 1.00 0.00 C ATOM 973 CG TYR A 71 1.692 -13.614 -4.553 1.00 0.00 C ATOM 974 CD1 TYR A 71 2.945 -14.139 -4.796 1.00 0.00 C ATOM 975 CD2 TYR A 71 1.554 -12.503 -3.746 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.108 -13.527 -4.207 1.00 0.00 C ATOM 977 CE2 TYR A 71 2.717 -11.891 -3.157 1.00 0.00 C ATOM 978 CZ TYR A 71 3.937 -12.434 -3.416 1.00 0.00 C ATOM 979 OH TYR A 71 5.035 -11.857 -2.860 1.00 0.00 O ATOM 0 H TYR A 71 -1.041 -15.572 -6.578 1.00 0.00 H new ATOM 0 HA TYR A 71 1.483 -16.201 -5.197 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.370 -13.933 -6.214 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.432 -13.908 -4.657 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.053 -15.008 -5.428 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.573 -12.092 -3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.094 -13.927 -4.389 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.623 -11.021 -2.524 1.00 0.00 H new ATOM 0 HH TYR A 71 4.759 -11.105 -2.295 1.00 0.00 H new ATOM 988 N HIS A 72 0.490 -15.897 -2.738 1.00 0.00 N ATOM 989 CA HIS A 72 0.009 -16.277 -1.420 1.00 0.00 C ATOM 990 C HIS A 72 0.161 -15.098 -0.458 1.00 0.00 C ATOM 991 O HIS A 72 -0.808 -14.675 0.170 1.00 0.00 O ATOM 992 CB HIS A 72 0.718 -17.541 -0.927 1.00 0.00 C ATOM 993 CG HIS A 72 2.212 -17.533 -1.151 1.00 0.00 C ATOM 994 ND1 HIS A 72 3.110 -17.088 -0.199 1.00 0.00 N ATOM 995 CD2 HIS A 72 2.953 -17.924 -2.228 1.00 0.00 C ATOM 996 CE1 HIS A 72 4.335 -17.207 -0.690 1.00 0.00 C ATOM 997 NE2 HIS A 72 4.235 -17.725 -1.948 1.00 0.00 N ATOM 0 H HIS A 72 1.341 -15.335 -2.735 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.052 -16.522 -1.473 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.521 -17.664 0.138 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.290 -18.406 -1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.563 -18.327 -3.151 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.251 -16.941 -0.184 1.00 0.00 H new ATOM 0 HE2 HIS A 72 5.017 -17.926 -2.571 1.00 0.00 H new ATOM 1004 N ARG A 73 1.386 -14.600 -0.371 1.00 0.00 N ATOM 1005 CA ARG A 73 1.678 -13.478 0.504 1.00 0.00 C ATOM 1006 C ARG A 73 0.637 -12.373 0.314 1.00 0.00 C ATOM 1007 O ARG A 73 -0.192 -12.443 -0.592 1.00 0.00 O ATOM 1008 CB ARG A 73 3.071 -12.910 0.226 1.00 0.00 C ATOM 1009 CG ARG A 73 3.988 -13.090 1.438 1.00 0.00 C ATOM 1010 CD ARG A 73 4.030 -11.817 2.287 1.00 0.00 C ATOM 1011 NE ARG A 73 5.425 -11.518 2.682 1.00 0.00 N ATOM 1012 CZ ARG A 73 6.397 -11.194 1.819 1.00 0.00 C ATOM 1013 NH1 ARG A 73 6.133 -11.124 0.507 1.00 0.00 N ATOM 1014 NH2 ARG A 73 7.634 -10.940 2.268 1.00 0.00 N ATOM 0 H ARG A 73 2.188 -14.954 -0.893 1.00 0.00 H new ATOM 0 HA ARG A 73 1.645 -13.841 1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.505 -13.409 -0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.993 -11.851 -0.022 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.636 -13.925 2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.994 -13.342 1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.615 -10.981 1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.411 -11.942 3.175 1.00 0.00 H new ATOM 0 HE ARG A 73 5.661 -11.561 3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.192 -11.317 0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.873 -10.877 -0.150 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.835 -10.993 3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.374 -10.693 1.611 1.00 0.00 H new ATOM 1025 N THR A 74 0.714 -11.377 1.185 1.00 0.00 N ATOM 1026 CA THR A 74 -0.211 -10.257 1.126 1.00 0.00 C ATOM 1027 C THR A 74 0.511 -8.992 0.660 1.00 0.00 C ATOM 1028 O THR A 74 -0.103 -7.934 0.529 1.00 0.00 O ATOM 1029 CB THR A 74 -0.867 -10.112 2.500 1.00 0.00 C ATOM 1030 OG1 THR A 74 0.222 -10.200 3.415 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.752 -11.308 2.857 1.00 0.00 C ATOM 0 H THR A 74 1.403 -11.322 1.935 1.00 0.00 H new ATOM 0 HA THR A 74 -0.997 -10.432 0.392 1.00 0.00 H new ATOM 0 HB THR A 74 -1.464 -9.200 2.522 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.113 -10.114 4.332 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.193 -11.153 3.842 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.545 -11.408 2.116 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.149 -12.216 2.868 1.00 0.00 H new ATOM 1039 N SER A 75 1.806 -9.142 0.423 1.00 0.00 N ATOM 1040 CA SER A 75 2.619 -8.025 -0.025 1.00 0.00 C ATOM 1041 C SER A 75 3.533 -8.468 -1.170 1.00 0.00 C ATOM 1042 O SER A 75 3.953 -9.623 -1.222 1.00 0.00 O ATOM 1043 CB SER A 75 3.449 -7.450 1.125 1.00 0.00 C ATOM 1044 OG SER A 75 3.742 -8.434 2.114 1.00 0.00 O ATOM 0 H SER A 75 2.312 -10.021 0.533 1.00 0.00 H new ATOM 0 HA SER A 75 1.953 -7.240 -0.383 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.380 -7.042 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.908 -6.623 1.585 1.00 0.00 H new ATOM 0 HG SER A 75 4.274 -8.029 2.830 1.00 0.00 H new ATOM 1049 N ALA A 76 3.814 -7.526 -2.058 1.00 0.00 N ATOM 1050 CA ALA A 76 4.671 -7.806 -3.198 1.00 0.00 C ATOM 1051 C ALA A 76 5.375 -6.518 -3.630 1.00 0.00 C ATOM 1052 O ALA A 76 4.733 -5.482 -3.800 1.00 0.00 O ATOM 1053 CB ALA A 76 3.838 -8.420 -4.326 1.00 0.00 C ATOM 0 H ALA A 76 3.464 -6.569 -2.012 1.00 0.00 H new ATOM 0 HA ALA A 76 5.441 -8.530 -2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.481 -8.630 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.382 -9.347 -3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.056 -7.721 -4.623 1.00 0.00 H new ATOM 1059 N THR A 77 6.685 -6.623 -3.793 1.00 0.00 N ATOM 1060 CA THR A 77 7.483 -5.480 -4.202 1.00 0.00 C ATOM 1061 C THR A 77 7.528 -5.377 -5.728 1.00 0.00 C ATOM 1062 O THR A 77 7.677 -6.386 -6.417 1.00 0.00 O ATOM 1063 CB THR A 77 8.867 -5.616 -3.562 1.00 0.00 C ATOM 1064 OG1 THR A 77 8.594 -5.736 -2.168 1.00 0.00 O ATOM 1065 CG2 THR A 77 9.691 -4.332 -3.671 1.00 0.00 C ATOM 0 H THR A 77 7.214 -7.483 -3.649 1.00 0.00 H new ATOM 0 HA THR A 77 7.039 -4.546 -3.858 1.00 0.00 H new ATOM 0 HB THR A 77 9.407 -6.435 -4.036 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.437 -5.830 -1.677 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.663 -4.483 -3.202 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.831 -4.077 -4.722 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.167 -3.520 -3.168 1.00 0.00 H new ATOM 1073 N ILE A 78 7.395 -4.151 -6.210 1.00 0.00 N ATOM 1074 CA ILE A 78 7.418 -3.904 -7.642 1.00 0.00 C ATOM 1075 C ILE A 78 8.805 -3.399 -8.047 1.00 0.00 C ATOM 1076 O ILE A 78 9.597 -3.002 -7.193 1.00 0.00 O ATOM 1077 CB ILE A 78 6.280 -2.962 -8.042 1.00 0.00 C ATOM 1078 CG1 ILE A 78 4.928 -3.508 -7.580 1.00 0.00 C ATOM 1079 CG2 ILE A 78 6.301 -2.683 -9.546 1.00 0.00 C ATOM 1080 CD1 ILE A 78 4.718 -4.942 -8.072 1.00 0.00 C ATOM 0 H ILE A 78 7.271 -3.318 -5.635 1.00 0.00 H new ATOM 0 HA ILE A 78 7.243 -4.830 -8.190 1.00 0.00 H new ATOM 0 HB ILE A 78 6.433 -2.009 -7.536 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.874 -3.482 -6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.127 -2.870 -7.954 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.482 -2.011 -9.803 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.249 -2.219 -9.817 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.187 -3.620 -10.091 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.749 -5.306 -7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.748 -4.961 -9.161 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.507 -5.582 -7.676 1.00 0.00 H new ATOM 1091 N THR A 79 9.055 -3.432 -9.347 1.00 0.00 N ATOM 1092 CA THR A 79 10.333 -2.982 -9.874 1.00 0.00 C ATOM 1093 C THR A 79 10.144 -2.330 -11.246 1.00 0.00 C ATOM 1094 O THR A 79 9.023 -2.242 -11.746 1.00 0.00 O ATOM 1095 CB THR A 79 11.283 -4.181 -9.896 1.00 0.00 C ATOM 1096 OG1 THR A 79 10.475 -5.255 -10.368 1.00 0.00 O ATOM 1097 CG2 THR A 79 11.705 -4.619 -8.492 1.00 0.00 C ATOM 0 H THR A 79 8.395 -3.763 -10.051 1.00 0.00 H new ATOM 0 HA THR A 79 10.774 -2.212 -9.241 1.00 0.00 H new ATOM 0 HB THR A 79 12.169 -3.932 -10.479 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.013 -6.073 -10.415 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.379 -5.473 -8.564 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.215 -3.796 -7.992 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.822 -4.901 -7.918 1.00 0.00 H new ATOM 1105 N GLU A 80 11.256 -1.892 -11.816 1.00 0.00 N ATOM 1106 CA GLU A 80 11.227 -1.251 -13.120 1.00 0.00 C ATOM 1107 C GLU A 80 10.195 -0.122 -13.133 1.00 0.00 C ATOM 1108 O GLU A 80 9.157 -0.234 -13.783 1.00 0.00 O ATOM 1109 CB GLU A 80 10.942 -2.270 -14.224 1.00 0.00 C ATOM 1110 CG GLU A 80 12.241 -2.855 -14.781 1.00 0.00 C ATOM 1111 CD GLU A 80 11.992 -3.590 -16.099 1.00 0.00 C ATOM 1112 OE1 GLU A 80 11.477 -4.727 -16.026 1.00 0.00 O ATOM 1113 OE2 GLU A 80 12.321 -2.999 -17.149 1.00 0.00 O ATOM 0 H GLU A 80 12.184 -1.968 -11.399 1.00 0.00 H new ATOM 0 HA GLU A 80 12.209 -0.820 -13.315 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.317 -3.072 -13.831 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.380 -1.793 -15.027 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.966 -2.056 -14.938 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.676 -3.542 -14.054 1.00 0.00 H new ATOM 1118 N LEU A 81 10.517 0.940 -12.410 1.00 0.00 N ATOM 1119 CA LEU A 81 9.630 2.088 -12.331 1.00 0.00 C ATOM 1120 C LEU A 81 10.421 3.360 -12.645 1.00 0.00 C ATOM 1121 O LEU A 81 11.511 3.565 -12.112 1.00 0.00 O ATOM 1122 CB LEU A 81 8.919 2.125 -10.976 1.00 0.00 C ATOM 1123 CG LEU A 81 8.061 0.905 -10.636 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.683 0.897 -9.154 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.831 0.831 -11.542 1.00 0.00 C ATOM 0 H LEU A 81 11.380 1.030 -11.874 1.00 0.00 H new ATOM 0 HA LEU A 81 8.839 2.010 -13.077 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.671 2.244 -10.196 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.285 3.011 -10.945 1.00 0.00 H new ATOM 0 HG LEU A 81 8.652 0.008 -10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.073 0.020 -8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.588 0.867 -8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.118 1.798 -8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.238 -0.045 -11.280 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.228 1.730 -11.411 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.149 0.756 -12.582 1.00 0.00 H new ATOM 1136 N VAL A 82 9.841 4.180 -13.508 1.00 0.00 N ATOM 1137 CA VAL A 82 10.478 5.426 -13.901 1.00 0.00 C ATOM 1138 C VAL A 82 10.124 6.516 -12.885 1.00 0.00 C ATOM 1139 O VAL A 82 8.957 6.689 -12.536 1.00 0.00 O ATOM 1140 CB VAL A 82 10.078 5.792 -15.332 1.00 0.00 C ATOM 1141 CG1 VAL A 82 10.606 7.176 -15.712 1.00 0.00 C ATOM 1142 CG2 VAL A 82 10.558 4.729 -16.322 1.00 0.00 C ATOM 0 H VAL A 82 8.937 4.006 -13.947 1.00 0.00 H new ATOM 0 HA VAL A 82 11.563 5.317 -13.899 1.00 0.00 H new ATOM 0 HB VAL A 82 8.990 5.826 -15.379 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.308 7.411 -16.734 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.194 7.922 -15.033 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.694 7.183 -15.641 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.261 5.012 -17.332 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.644 4.649 -16.272 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.111 3.768 -16.069 1.00 0.00 H new ATOM 1152 N ILE A 83 11.154 7.221 -12.439 1.00 0.00 N ATOM 1153 CA ILE A 83 10.967 8.288 -11.471 1.00 0.00 C ATOM 1154 C ILE A 83 10.415 9.525 -12.182 1.00 0.00 C ATOM 1155 O ILE A 83 11.112 10.150 -12.979 1.00 0.00 O ATOM 1156 CB ILE A 83 12.265 8.549 -10.703 1.00 0.00 C ATOM 1157 CG1 ILE A 83 12.649 7.338 -9.849 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.162 9.828 -9.870 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.066 7.488 -9.292 1.00 0.00 C ATOM 0 H ILE A 83 12.120 7.074 -12.730 1.00 0.00 H new ATOM 0 HA ILE A 83 10.232 7.996 -10.720 1.00 0.00 H new ATOM 0 HB ILE A 83 13.066 8.700 -11.427 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.941 7.229 -9.027 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.584 6.430 -10.449 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.098 9.990 -9.335 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.969 10.676 -10.527 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.346 9.731 -9.154 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.314 6.615 -8.689 1.00 0.00 H new ATOM 0 HD12 ILE A 83 14.774 7.573 -10.116 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.121 8.384 -8.673 1.00 0.00 H new ATOM 1170 N GLY A 84 9.167 9.841 -11.867 1.00 0.00 N ATOM 1171 CA GLY A 84 8.512 10.991 -12.466 1.00 0.00 C ATOM 1172 C GLY A 84 7.060 10.671 -12.824 1.00 0.00 C ATOM 1173 O GLY A 84 6.192 11.540 -12.746 1.00 0.00 O ATOM 0 H GLY A 84 8.592 9.320 -11.204 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.542 11.833 -11.774 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.052 11.296 -13.362 1.00 0.00 H new ATOM 1177 N ASN A 85 6.840 9.423 -13.209 1.00 0.00 N ATOM 1178 CA ASN A 85 5.507 8.977 -13.581 1.00 0.00 C ATOM 1179 C ASN A 85 4.908 8.164 -12.432 1.00 0.00 C ATOM 1180 O ASN A 85 5.639 7.626 -11.601 1.00 0.00 O ATOM 1181 CB ASN A 85 5.552 8.082 -14.820 1.00 0.00 C ATOM 1182 CG ASN A 85 5.738 8.915 -16.091 1.00 0.00 C ATOM 1183 OD1 ASN A 85 4.945 9.782 -16.418 1.00 0.00 O ATOM 1184 ND2 ASN A 85 6.829 8.604 -16.785 1.00 0.00 N ATOM 0 H ASN A 85 7.562 8.706 -13.272 1.00 0.00 H new ATOM 0 HA ASN A 85 4.903 9.859 -13.795 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.369 7.366 -14.727 1.00 0.00 H new ATOM 0 HB3 ASN A 85 4.630 7.505 -14.890 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.044 9.103 -17.648 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.451 7.867 -16.454 1.00 0.00 H new ATOM 1190 N GLU A 86 3.585 8.100 -12.420 1.00 0.00 N ATOM 1191 CA GLU A 86 2.880 7.362 -11.388 1.00 0.00 C ATOM 1192 C GLU A 86 2.380 6.025 -11.938 1.00 0.00 C ATOM 1193 O GLU A 86 2.394 5.804 -13.149 1.00 0.00 O ATOM 1194 CB GLU A 86 1.725 8.187 -10.816 1.00 0.00 C ATOM 1195 CG GLU A 86 0.615 8.369 -11.853 1.00 0.00 C ATOM 1196 CD GLU A 86 0.615 9.793 -12.411 1.00 0.00 C ATOM 1197 OE1 GLU A 86 -0.040 10.651 -11.779 1.00 0.00 O ATOM 1198 OE2 GLU A 86 1.270 9.993 -13.457 1.00 0.00 O ATOM 0 H GLU A 86 2.982 8.548 -13.110 1.00 0.00 H new ATOM 0 HA GLU A 86 3.576 7.159 -10.574 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.324 7.693 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.093 9.162 -10.497 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.751 7.656 -12.666 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.352 8.153 -11.398 1.00 0.00 H new ATOM 1203 N TYR A 87 1.948 5.169 -11.024 1.00 0.00 N ATOM 1204 CA TYR A 87 1.443 3.861 -11.404 1.00 0.00 C ATOM 1205 C TYR A 87 0.403 3.360 -10.398 1.00 0.00 C ATOM 1206 O TYR A 87 0.499 3.648 -9.206 1.00 0.00 O ATOM 1207 CB TYR A 87 2.650 2.920 -11.380 1.00 0.00 C ATOM 1208 CG TYR A 87 3.780 3.334 -12.325 1.00 0.00 C ATOM 1209 CD1 TYR A 87 4.649 4.343 -11.961 1.00 0.00 C ATOM 1210 CD2 TYR A 87 3.930 2.699 -13.541 1.00 0.00 C ATOM 1211 CE1 TYR A 87 5.712 4.733 -12.850 1.00 0.00 C ATOM 1212 CE2 TYR A 87 4.994 3.088 -14.429 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.832 4.086 -14.041 1.00 0.00 C ATOM 1214 OH TYR A 87 6.836 4.455 -14.880 1.00 0.00 O ATOM 0 H TYR A 87 1.937 5.356 -10.021 1.00 0.00 H new ATOM 0 HA TYR A 87 0.964 3.905 -12.382 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.040 2.871 -10.363 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.320 1.915 -11.643 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.531 4.840 -11.009 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.249 1.910 -13.826 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.399 5.521 -12.578 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.124 2.598 -15.383 1.00 0.00 H new ATOM 0 HH TYR A 87 6.801 3.908 -15.692 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.566 2.622 -10.917 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.623 2.080 -10.080 1.00 0.00 C ATOM 1225 C TYR A 88 -1.508 0.559 -9.967 1.00 0.00 C ATOM 1226 O TYR A 88 -0.927 -0.090 -10.836 1.00 0.00 O ATOM 1227 CB TYR A 88 -2.937 2.430 -10.780 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.453 3.837 -10.472 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -3.784 4.182 -9.177 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.585 4.761 -11.488 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.268 5.506 -8.886 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -4.070 6.086 -11.197 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.387 6.393 -9.911 1.00 0.00 C ATOM 1234 OH TYR A 88 -4.845 7.644 -9.637 1.00 0.00 O ATOM 0 H TYR A 88 -0.642 2.386 -11.906 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.564 2.492 -9.073 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.800 2.333 -11.857 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.696 1.704 -10.488 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.680 3.458 -8.382 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.325 4.491 -12.501 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.531 5.789 -7.877 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.179 6.819 -11.983 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.877 8.169 -10.464 1.00 0.00 H new ATOM 1243 N PHE A 89 -2.071 0.032 -8.890 1.00 0.00 N ATOM 1244 CA PHE A 89 -2.038 -1.401 -8.652 1.00 0.00 C ATOM 1245 C PHE A 89 -3.392 -1.904 -8.146 1.00 0.00 C ATOM 1246 O PHE A 89 -4.176 -1.135 -7.591 1.00 0.00 O ATOM 1247 CB PHE A 89 -0.980 -1.652 -7.576 1.00 0.00 C ATOM 1248 CG PHE A 89 0.362 -0.973 -7.854 1.00 0.00 C ATOM 1249 CD1 PHE A 89 0.579 0.301 -7.434 1.00 0.00 C ATOM 1250 CD2 PHE A 89 1.339 -1.644 -8.522 1.00 0.00 C ATOM 1251 CE1 PHE A 89 1.826 0.932 -7.690 1.00 0.00 C ATOM 1252 CE2 PHE A 89 2.585 -1.014 -8.780 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.802 0.260 -8.359 1.00 0.00 C ATOM 0 H PHE A 89 -2.553 0.572 -8.172 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.808 -1.927 -9.579 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.361 -1.301 -6.617 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.820 -2.726 -7.482 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.197 0.834 -6.905 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.167 -2.656 -8.856 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.999 1.944 -7.354 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.360 -1.547 -9.311 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.750 0.739 -8.556 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.626 -3.191 -8.355 1.00 0.00 N ATOM 1263 CA ARG A 90 -4.870 -3.806 -7.927 1.00 0.00 C ATOM 1264 C ARG A 90 -4.658 -5.294 -7.644 1.00 0.00 C ATOM 1265 O ARG A 90 -4.041 -5.999 -8.441 1.00 0.00 O ATOM 1266 CB ARG A 90 -5.957 -3.646 -8.992 1.00 0.00 C ATOM 1267 CG ARG A 90 -5.604 -4.430 -10.258 1.00 0.00 C ATOM 1268 CD ARG A 90 -6.687 -4.263 -11.326 1.00 0.00 C ATOM 1269 NE ARG A 90 -6.382 -5.119 -12.494 1.00 0.00 N ATOM 1270 CZ ARG A 90 -7.053 -5.077 -13.653 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -8.072 -4.220 -13.806 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -6.706 -5.891 -14.659 1.00 0.00 N ATOM 0 H ARG A 90 -2.974 -3.825 -8.816 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.192 -3.303 -7.015 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.911 -3.995 -8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.080 -2.591 -9.236 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.647 -4.085 -10.649 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.487 -5.486 -10.015 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.660 -4.529 -10.914 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.747 -3.219 -11.635 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.612 -5.783 -12.412 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.336 -3.600 -13.040 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.583 -4.188 -14.688 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.931 -6.543 -14.543 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.217 -5.858 -15.541 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.181 -5.727 -6.506 1.00 0.00 N ATOM 1284 CA VAL A 91 -5.056 -7.119 -6.108 1.00 0.00 C ATOM 1285 C VAL A 91 -6.412 -7.810 -6.256 1.00 0.00 C ATOM 1286 O VAL A 91 -7.455 -7.161 -6.191 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.491 -7.208 -4.688 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.474 -8.657 -4.195 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.096 -6.586 -4.614 1.00 0.00 C ATOM 0 H VAL A 91 -5.692 -5.139 -5.847 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.353 -7.641 -6.757 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.146 -6.638 -4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.068 -8.693 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.490 -9.052 -4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.852 -9.259 -4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.717 -6.662 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.425 -7.115 -5.291 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.150 -5.537 -4.904 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.354 -9.119 -6.453 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.566 -9.907 -6.612 1.00 0.00 C ATOM 1301 C PHE A 92 -7.540 -11.141 -5.707 1.00 0.00 C ATOM 1302 O PHE A 92 -6.651 -11.281 -4.867 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.616 -10.361 -8.072 1.00 0.00 C ATOM 1304 CG PHE A 92 -7.990 -9.251 -9.056 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -9.298 -8.974 -9.303 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -7.013 -8.542 -9.683 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -9.644 -7.943 -10.217 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -7.359 -7.511 -10.597 1.00 0.00 C ATOM 1309 CZ PHE A 92 -8.669 -7.234 -10.845 1.00 0.00 C ATOM 0 H PHE A 92 -5.487 -9.654 -6.506 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.437 -9.309 -6.342 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.643 -10.766 -8.349 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.337 -11.173 -8.165 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.073 -9.537 -8.805 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.974 -8.763 -9.486 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -10.683 -7.722 -10.413 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.584 -6.947 -11.095 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.933 -6.451 -11.541 1.00 0.00 H new ATOM 1318 N SER A 93 -8.524 -12.003 -5.907 1.00 0.00 N ATOM 1319 CA SER A 93 -8.626 -13.221 -5.121 1.00 0.00 C ATOM 1320 C SER A 93 -9.031 -14.392 -6.018 1.00 0.00 C ATOM 1321 O SER A 93 -10.218 -14.631 -6.235 1.00 0.00 O ATOM 1322 CB SER A 93 -9.630 -13.055 -3.978 1.00 0.00 C ATOM 1323 OG SER A 93 -9.340 -11.917 -3.172 1.00 0.00 O ATOM 0 H SER A 93 -9.260 -11.883 -6.603 1.00 0.00 H new ATOM 0 HA SER A 93 -7.649 -13.429 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.635 -12.961 -4.389 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.623 -13.950 -3.357 1.00 0.00 H new ATOM 0 HG SER A 93 -10.176 -11.537 -2.830 1.00 0.00 H new ATOM 1328 N GLU A 94 -8.022 -15.092 -6.515 1.00 0.00 N ATOM 1329 CA GLU A 94 -8.257 -16.232 -7.384 1.00 0.00 C ATOM 1330 C GLU A 94 -8.980 -17.342 -6.618 1.00 0.00 C ATOM 1331 O GLU A 94 -8.992 -17.346 -5.388 1.00 0.00 O ATOM 1332 CB GLU A 94 -6.947 -16.743 -7.986 1.00 0.00 C ATOM 1333 CG GLU A 94 -6.631 -16.027 -9.301 1.00 0.00 C ATOM 1334 CD GLU A 94 -7.568 -16.491 -10.417 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -8.673 -16.964 -10.070 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -7.160 -16.363 -11.591 1.00 0.00 O ATOM 0 H GLU A 94 -7.039 -14.891 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.895 -15.911 -8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.133 -16.588 -7.278 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.017 -17.817 -8.160 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.727 -14.950 -9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.597 -16.221 -9.585 1.00 0.00 H new ATOM 1341 N ASN A 95 -9.564 -18.257 -7.377 1.00 0.00 N ATOM 1342 CA ASN A 95 -10.287 -19.370 -6.786 1.00 0.00 C ATOM 1343 C ASN A 95 -10.800 -20.289 -7.897 1.00 0.00 C ATOM 1344 O ASN A 95 -10.262 -20.291 -9.003 1.00 0.00 O ATOM 1345 CB ASN A 95 -11.493 -18.879 -5.983 1.00 0.00 C ATOM 1346 CG ASN A 95 -12.618 -18.417 -6.911 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -13.561 -19.136 -7.193 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -12.465 -17.177 -7.370 1.00 0.00 N ATOM 0 H ASN A 95 -9.551 -18.250 -8.397 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.604 -19.901 -6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -11.855 -19.679 -5.337 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.192 -18.057 -5.334 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.162 -16.776 -7.997 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.651 -16.628 -7.094 1.00 0.00 H new ATOM 1354 N MET A 96 -11.835 -21.046 -7.564 1.00 0.00 N ATOM 1355 CA MET A 96 -12.427 -21.966 -8.520 1.00 0.00 C ATOM 1356 C MET A 96 -13.536 -21.284 -9.322 1.00 0.00 C ATOM 1357 O MET A 96 -14.504 -21.929 -9.722 1.00 0.00 O ATOM 1358 CB MET A 96 -13.002 -23.174 -7.777 1.00 0.00 C ATOM 1359 CG MET A 96 -14.131 -22.752 -6.835 1.00 0.00 C ATOM 1360 SD MET A 96 -15.196 -24.143 -6.496 1.00 0.00 S ATOM 1361 CE MET A 96 -14.406 -24.788 -5.031 1.00 0.00 C ATOM 0 H MET A 96 -12.279 -21.041 -6.646 1.00 0.00 H new ATOM 0 HA MET A 96 -11.651 -22.290 -9.213 1.00 0.00 H new ATOM 0 HB2 MET A 96 -13.377 -23.903 -8.496 1.00 0.00 H new ATOM 0 HB3 MET A 96 -12.213 -23.665 -7.207 1.00 0.00 H new ATOM 0 HG2 MET A 96 -13.714 -22.367 -5.904 1.00 0.00 H new ATOM 0 HG3 MET A 96 -14.707 -21.943 -7.284 1.00 0.00 H new ATOM 0 HE1 MET A 96 -14.948 -25.667 -4.683 1.00 0.00 H new ATOM 0 HE2 MET A 96 -13.378 -25.064 -5.264 1.00 0.00 H new ATOM 0 HE3 MET A 96 -14.410 -24.027 -4.251 1.00 0.00 H new ATOM 1369 N CYS A 97 -13.358 -19.989 -9.536 1.00 0.00 N ATOM 1370 CA CYS A 97 -14.332 -19.212 -10.283 1.00 0.00 C ATOM 1371 C CYS A 97 -13.577 -18.300 -11.252 1.00 0.00 C ATOM 1372 O CYS A 97 -13.778 -18.371 -12.463 1.00 0.00 O ATOM 1373 CB CYS A 97 -15.257 -18.421 -9.357 1.00 0.00 C ATOM 1374 SG CYS A 97 -16.849 -18.089 -10.195 1.00 0.00 S ATOM 0 H CYS A 97 -12.553 -19.458 -9.205 1.00 0.00 H new ATOM 0 HA CYS A 97 -14.980 -19.883 -10.847 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -15.430 -18.981 -8.438 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.783 -17.481 -9.073 1.00 0.00 H new ATOM 0 HG CYS A 97 -17.627 -17.419 -9.398 1.00 0.00 H new ATOM 1379 N GLY A 98 -12.724 -17.462 -10.681 1.00 0.00 N ATOM 1380 CA GLY A 98 -11.938 -16.536 -11.479 1.00 0.00 C ATOM 1381 C GLY A 98 -11.873 -15.158 -10.815 1.00 0.00 C ATOM 1382 O GLY A 98 -12.792 -14.354 -10.954 1.00 0.00 O ATOM 0 H GLY A 98 -12.560 -17.405 -9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.930 -16.928 -11.610 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.376 -16.444 -12.473 1.00 0.00 H new ATOM 1386 N LEU A 99 -10.777 -14.930 -10.107 1.00 0.00 N ATOM 1387 CA LEU A 99 -10.579 -13.665 -9.420 1.00 0.00 C ATOM 1388 C LEU A 99 -11.938 -13.093 -9.013 1.00 0.00 C ATOM 1389 O LEU A 99 -12.829 -13.833 -8.599 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.745 -12.713 -10.280 1.00 0.00 C ATOM 1391 CG LEU A 99 -8.432 -13.280 -10.826 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -8.579 -13.689 -12.293 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -7.281 -12.293 -10.618 1.00 0.00 C ATOM 0 H LEU A 99 -10.016 -15.600 -9.994 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.007 -13.815 -8.504 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.355 -12.387 -11.122 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.517 -11.826 -9.689 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.189 -14.182 -10.264 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.632 -14.088 -12.656 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.353 -14.452 -12.382 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.857 -12.819 -12.887 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.360 -12.720 -11.014 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.502 -11.361 -11.138 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.160 -12.094 -9.553 1.00 0.00 H new ATOM 1404 N SER A 100 -12.056 -11.780 -9.144 1.00 0.00 N ATOM 1405 CA SER A 100 -13.291 -11.099 -8.795 1.00 0.00 C ATOM 1406 C SER A 100 -13.646 -10.073 -9.872 1.00 0.00 C ATOM 1407 O SER A 100 -12.764 -9.417 -10.425 1.00 0.00 O ATOM 1408 CB SER A 100 -13.178 -10.419 -7.429 1.00 0.00 C ATOM 1409 OG SER A 100 -11.845 -10.003 -7.148 1.00 0.00 O ATOM 0 H SER A 100 -11.315 -11.169 -9.488 1.00 0.00 H new ATOM 0 HA SER A 100 -14.086 -11.842 -8.736 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.841 -9.555 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 100 -13.514 -11.107 -6.653 1.00 0.00 H new ATOM 0 HG SER A 100 -11.781 -9.029 -7.234 1.00 0.00 H new ATOM 1414 N GLU A 101 -14.939 -9.965 -10.139 1.00 0.00 N ATOM 1415 CA GLU A 101 -15.422 -9.028 -11.140 1.00 0.00 C ATOM 1416 C GLU A 101 -14.792 -7.650 -10.925 1.00 0.00 C ATOM 1417 O GLU A 101 -14.595 -6.899 -11.878 1.00 0.00 O ATOM 1418 CB GLU A 101 -16.949 -8.943 -11.120 1.00 0.00 C ATOM 1419 CG GLU A 101 -17.542 -9.423 -12.447 1.00 0.00 C ATOM 1420 CD GLU A 101 -18.582 -8.431 -12.973 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -19.755 -8.569 -12.566 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -18.178 -7.557 -13.771 1.00 0.00 O ATOM 0 H GLU A 101 -15.668 -10.511 -9.679 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.125 -9.392 -12.124 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -17.340 -9.549 -10.303 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -17.257 -7.915 -10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.746 -9.545 -13.182 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -18.003 -10.401 -12.311 1.00 0.00 H new ATOM 1427 N ASP A 102 -14.497 -7.361 -9.666 1.00 0.00 N ATOM 1428 CA ASP A 102 -13.894 -6.087 -9.313 1.00 0.00 C ATOM 1429 C ASP A 102 -12.711 -6.329 -8.373 1.00 0.00 C ATOM 1430 O ASP A 102 -12.668 -7.338 -7.672 1.00 0.00 O ATOM 1431 CB ASP A 102 -14.896 -5.185 -8.590 1.00 0.00 C ATOM 1432 CG ASP A 102 -15.937 -5.923 -7.744 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -16.688 -6.725 -8.342 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -15.957 -5.668 -6.521 1.00 0.00 O ATOM 0 H ASP A 102 -14.664 -7.987 -8.878 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.570 -5.601 -10.233 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.346 -4.499 -7.945 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -15.416 -4.578 -9.331 1.00 0.00 H new ATOM 1438 N ALA A 103 -11.781 -5.385 -8.389 1.00 0.00 N ATOM 1439 CA ALA A 103 -10.601 -5.484 -7.547 1.00 0.00 C ATOM 1440 C ALA A 103 -10.466 -4.207 -6.715 1.00 0.00 C ATOM 1441 O ALA A 103 -10.938 -3.145 -7.120 1.00 0.00 O ATOM 1442 CB ALA A 103 -9.371 -5.746 -8.419 1.00 0.00 C ATOM 0 H ALA A 103 -11.821 -4.549 -8.971 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.692 -6.321 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.486 -5.820 -7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.505 -6.679 -8.966 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.244 -4.926 -9.126 1.00 0.00 H new ATOM 1448 N THR A 104 -9.817 -4.352 -5.569 1.00 0.00 N ATOM 1449 CA THR A 104 -9.613 -3.223 -4.678 1.00 0.00 C ATOM 1450 C THR A 104 -8.361 -2.443 -5.082 1.00 0.00 C ATOM 1451 O THR A 104 -7.245 -2.833 -4.741 1.00 0.00 O ATOM 1452 CB THR A 104 -9.561 -3.755 -3.245 1.00 0.00 C ATOM 1453 OG1 THR A 104 -10.840 -4.353 -3.049 1.00 0.00 O ATOM 1454 CG2 THR A 104 -9.512 -2.634 -2.204 1.00 0.00 C ATOM 0 H THR A 104 -9.426 -5.234 -5.237 1.00 0.00 H new ATOM 0 HA THR A 104 -10.436 -2.512 -4.747 1.00 0.00 H new ATOM 0 HB THR A 104 -8.688 -4.397 -3.129 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.850 -4.831 -2.193 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.476 -3.067 -1.204 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.623 -2.024 -2.367 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.402 -2.011 -2.298 1.00 0.00 H new ATOM 1462 N MET A 105 -8.587 -1.355 -5.802 1.00 0.00 N ATOM 1463 CA MET A 105 -7.491 -0.516 -6.257 1.00 0.00 C ATOM 1464 C MET A 105 -6.956 0.352 -5.117 1.00 0.00 C ATOM 1465 O MET A 105 -7.626 0.534 -4.103 1.00 0.00 O ATOM 1466 CB MET A 105 -7.973 0.380 -7.400 1.00 0.00 C ATOM 1467 CG MET A 105 -6.830 0.703 -8.364 1.00 0.00 C ATOM 1468 SD MET A 105 -7.486 1.165 -9.958 1.00 0.00 S ATOM 1469 CE MET A 105 -6.966 2.870 -10.026 1.00 0.00 C ATOM 0 H MET A 105 -9.514 -1.034 -6.082 1.00 0.00 H new ATOM 0 HA MET A 105 -6.685 -1.161 -6.606 1.00 0.00 H new ATOM 0 HB2 MET A 105 -8.780 -0.116 -7.940 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.383 1.305 -6.994 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.223 1.515 -7.962 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.176 -0.163 -8.468 1.00 0.00 H new ATOM 0 HE1 MET A 105 -7.638 3.430 -10.676 1.00 0.00 H new ATOM 0 HE2 MET A 105 -6.990 3.298 -9.024 1.00 0.00 H new ATOM 0 HE3 MET A 105 -5.951 2.925 -10.420 1.00 0.00 H new ATOM 1477 N THR A 106 -5.752 0.866 -5.323 1.00 0.00 N ATOM 1478 CA THR A 106 -5.119 1.711 -4.325 1.00 0.00 C ATOM 1479 C THR A 106 -5.763 3.099 -4.315 1.00 0.00 C ATOM 1480 O THR A 106 -5.815 3.770 -5.343 1.00 0.00 O ATOM 1481 CB THR A 106 -3.617 1.741 -4.615 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.536 2.108 -5.990 1.00 0.00 O ATOM 1483 CG2 THR A 106 -2.982 0.351 -4.562 1.00 0.00 C ATOM 0 H THR A 106 -5.199 0.713 -6.166 1.00 0.00 H new ATOM 0 HA THR A 106 -5.263 1.313 -3.321 1.00 0.00 H new ATOM 0 HB THR A 106 -3.122 2.393 -3.896 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.219 3.032 -6.064 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.916 0.430 -4.775 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.123 -0.076 -3.569 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.454 -0.293 -5.304 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.238 3.487 -3.140 1.00 0.00 N ATOM 1492 CA LYS A 107 -6.877 4.782 -2.982 1.00 0.00 C ATOM 1493 C LYS A 107 -6.107 5.828 -3.790 1.00 0.00 C ATOM 1494 O LYS A 107 -6.695 6.782 -4.298 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.020 5.132 -1.500 1.00 0.00 C ATOM 1496 CG LYS A 107 -8.492 5.255 -1.103 1.00 0.00 C ATOM 1497 CD LYS A 107 -8.910 6.722 -0.995 1.00 0.00 C ATOM 1498 CE LYS A 107 -10.432 6.852 -0.896 1.00 0.00 C ATOM 1499 NZ LYS A 107 -10.799 8.068 -0.136 1.00 0.00 N ATOM 0 H LYS A 107 -6.193 2.927 -2.289 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.892 4.757 -3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.540 4.364 -0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.505 6.070 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.115 4.749 -1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.658 4.755 -0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.445 7.173 -0.118 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.550 7.272 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.865 6.896 -1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.847 5.971 -0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.835 8.142 -0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.402 8.011 0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.419 8.907 -0.619 1.00 0.00 H new ATOM 1509 N GLU A 108 -4.803 5.614 -3.885 1.00 0.00 N ATOM 1510 CA GLU A 108 -3.946 6.526 -4.622 1.00 0.00 C ATOM 1511 C GLU A 108 -2.820 5.754 -5.314 1.00 0.00 C ATOM 1512 O GLU A 108 -2.590 4.584 -5.015 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.383 7.613 -3.704 1.00 0.00 C ATOM 1514 CG GLU A 108 -4.455 8.649 -3.360 1.00 0.00 C ATOM 1515 CD GLU A 108 -3.965 9.603 -2.268 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -3.280 9.106 -1.347 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -4.286 10.805 -2.379 1.00 0.00 O ATOM 0 H GLU A 108 -4.319 4.821 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.546 7.019 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.003 7.160 -2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.540 8.104 -4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.717 9.217 -4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.361 8.143 -3.026 1.00 0.00 H new ATOM 1522 N SER A 109 -2.147 6.443 -6.225 1.00 0.00 N ATOM 1523 CA SER A 109 -1.051 5.837 -6.960 1.00 0.00 C ATOM 1524 C SER A 109 0.261 6.023 -6.194 1.00 0.00 C ATOM 1525 O SER A 109 0.301 6.729 -5.188 1.00 0.00 O ATOM 1526 CB SER A 109 -0.933 6.433 -8.365 1.00 0.00 C ATOM 1527 OG SER A 109 -1.170 7.839 -8.369 1.00 0.00 O ATOM 0 H SER A 109 -2.340 7.414 -6.470 1.00 0.00 H new ATOM 0 HA SER A 109 -1.257 4.772 -7.062 1.00 0.00 H new ATOM 0 HB2 SER A 109 0.062 6.232 -8.762 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.646 5.943 -9.028 1.00 0.00 H new ATOM 0 HG SER A 109 -1.084 8.183 -9.283 1.00 0.00 H new ATOM 1532 N ALA A 110 1.301 5.377 -6.699 1.00 0.00 N ATOM 1533 CA ALA A 110 2.610 5.462 -6.074 1.00 0.00 C ATOM 1534 C ALA A 110 3.530 6.321 -6.943 1.00 0.00 C ATOM 1535 O ALA A 110 3.854 5.947 -8.069 1.00 0.00 O ATOM 1536 CB ALA A 110 3.164 4.053 -5.854 1.00 0.00 C ATOM 0 H ALA A 110 1.264 4.792 -7.534 1.00 0.00 H new ATOM 0 HA ALA A 110 2.538 5.940 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.146 4.117 -5.385 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.489 3.493 -5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.253 3.543 -6.813 1.00 0.00 H new ATOM 1542 N VAL A 111 3.925 7.458 -6.387 1.00 0.00 N ATOM 1543 CA VAL A 111 4.801 8.373 -7.097 1.00 0.00 C ATOM 1544 C VAL A 111 6.242 7.866 -7.008 1.00 0.00 C ATOM 1545 O VAL A 111 6.852 7.905 -5.941 1.00 0.00 O ATOM 1546 CB VAL A 111 4.631 9.791 -6.549 1.00 0.00 C ATOM 1547 CG1 VAL A 111 5.823 10.673 -6.930 1.00 0.00 C ATOM 1548 CG2 VAL A 111 3.317 10.411 -7.027 1.00 0.00 C ATOM 0 H VAL A 111 3.654 7.765 -5.453 1.00 0.00 H new ATOM 0 HA VAL A 111 4.536 8.413 -8.153 1.00 0.00 H new ATOM 0 HB VAL A 111 4.595 9.727 -5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.677 11.676 -6.528 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.738 10.247 -6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.904 10.726 -8.016 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.222 11.419 -6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.310 10.455 -8.116 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.481 9.802 -6.683 1.00 0.00 H new ATOM 1558 N ILE A 112 6.744 7.402 -8.144 1.00 0.00 N ATOM 1559 CA ILE A 112 8.101 6.889 -8.207 1.00 0.00 C ATOM 1560 C ILE A 112 9.078 7.984 -7.776 1.00 0.00 C ATOM 1561 O ILE A 112 8.912 9.147 -8.142 1.00 0.00 O ATOM 1562 CB ILE A 112 8.393 6.315 -9.596 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.296 5.341 -10.029 1.00 0.00 C ATOM 1564 CG2 ILE A 112 9.781 5.674 -9.643 1.00 0.00 C ATOM 1565 CD1 ILE A 112 7.052 4.278 -8.956 1.00 0.00 C ATOM 0 H ILE A 112 6.235 7.371 -9.027 1.00 0.00 H new ATOM 0 HA ILE A 112 8.226 6.059 -7.511 1.00 0.00 H new ATOM 0 HB ILE A 112 8.394 7.137 -10.312 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.373 5.889 -10.220 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.581 4.860 -10.965 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.963 5.274 -10.640 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.536 6.424 -9.409 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.834 4.866 -8.913 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.268 3.598 -9.289 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.970 3.716 -8.785 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.744 4.761 -8.029 1.00 0.00 H new ATOM 1576 N ALA A 113 10.075 7.575 -7.005 1.00 0.00 N ATOM 1577 CA ALA A 113 11.078 8.508 -6.520 1.00 0.00 C ATOM 1578 C ALA A 113 12.151 7.739 -5.748 1.00 0.00 C ATOM 1579 O ALA A 113 11.885 6.667 -5.207 1.00 0.00 O ATOM 1580 CB ALA A 113 10.405 9.585 -5.668 1.00 0.00 C ATOM 0 H ALA A 113 10.210 6.610 -6.704 1.00 0.00 H new ATOM 0 HA ALA A 113 11.568 9.012 -7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.158 10.284 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.673 10.121 -6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.904 9.118 -4.820 1.00 0.00 H new