USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 731 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 56 CYS SG : rot 180:sc= -0.159 USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 ASN : amide:sc= 1.12 K(o=1.4,f=-2.9) USER MOD Set 2.2: A 63 GLN : amide:sc= 0.246 K(o=1.4,f=-1.5) USER MOD Single : A 29 GLN : amide:sc= -0.0593 K(o=-0.059,f=-2.6!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 65:sc= 0.514 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= 0.99 (180deg=0.893) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0513 X(o=-0.051,f=-0.13) USER MOD Single : A 58 HIS : no HD1:sc= -0.185 K(o=-0.18,f=-0.69) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00137 USER MOD Single : A 65 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.58) USER MOD Single : A 67 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.2) USER MOD Single : A 68 ASN : amide:sc= -1.62! C(o=-1.6!,f=-1.5!) USER MOD Single : A 72 GLN : amide:sc= -0.0134 K(o=-0.013,f=-1.7) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 74 LYS NZ :NH3+ -158:sc= 1.22 (180deg=1.16) USER MOD Single : A 80 SER OG : rot 82:sc= 1.22 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.23) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 101 THR OG1 : rot 123:sc= 1.25 USER MOD Single : A 107 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.2) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 243 N LEU A 16 -0.295 11.927 -4.924 1.00 0.00 N ATOM 244 CA LEU A 16 0.780 11.469 -4.072 1.00 0.00 C ATOM 245 C LEU A 16 0.840 9.944 -4.197 1.00 0.00 C ATOM 246 O LEU A 16 1.920 9.374 -4.335 1.00 0.00 O ATOM 247 CB LEU A 16 0.457 11.991 -2.657 1.00 0.00 C ATOM 248 CG LEU A 16 1.451 11.698 -1.529 1.00 0.00 C ATOM 249 CD1 LEU A 16 1.709 10.213 -1.274 1.00 0.00 C ATOM 250 CD2 LEU A 16 2.740 12.478 -1.803 1.00 0.00 C ATOM 0 HA LEU A 16 1.770 11.838 -4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.337 13.072 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.509 11.580 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 16 1.000 12.036 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.425 10.103 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.774 9.722 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.113 9.754 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.460 12.281 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.159 12.164 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.519 13.545 -1.837 1.00 0.00 H new ATOM 262 N ALA A 17 -0.321 9.277 -4.244 1.00 0.00 N ATOM 263 CA ALA A 17 -0.403 7.842 -4.475 1.00 0.00 C ATOM 264 C ALA A 17 0.361 7.409 -5.733 1.00 0.00 C ATOM 265 O ALA A 17 0.954 6.337 -5.716 1.00 0.00 O ATOM 266 CB ALA A 17 -1.865 7.392 -4.553 1.00 0.00 C ATOM 0 H ALA A 17 -1.229 9.726 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 17 0.074 7.353 -3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.906 6.317 -4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.369 7.628 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.362 7.911 -5.373 1.00 0.00 H new ATOM 272 N ALA A 18 0.384 8.225 -6.796 1.00 0.00 N ATOM 273 CA ALA A 18 1.099 7.896 -8.026 1.00 0.00 C ATOM 274 C ALA A 18 2.621 7.858 -7.817 1.00 0.00 C ATOM 275 O ALA A 18 3.309 7.104 -8.503 1.00 0.00 O ATOM 276 CB ALA A 18 0.733 8.894 -9.131 1.00 0.00 C ATOM 0 H ALA A 18 -0.092 9.127 -6.823 1.00 0.00 H new ATOM 0 HA ALA A 18 0.791 6.895 -8.329 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.272 8.640 -10.044 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.340 8.852 -9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.007 9.901 -8.817 1.00 0.00 H new ATOM 282 N GLU A 19 3.157 8.641 -6.879 1.00 0.00 N ATOM 283 CA GLU A 19 4.579 8.647 -6.540 1.00 0.00 C ATOM 284 C GLU A 19 4.900 7.430 -5.674 1.00 0.00 C ATOM 285 O GLU A 19 5.895 6.751 -5.912 1.00 0.00 O ATOM 286 CB GLU A 19 4.946 9.936 -5.798 1.00 0.00 C ATOM 287 CG GLU A 19 4.840 11.164 -6.703 1.00 0.00 C ATOM 288 CD GLU A 19 4.856 12.449 -5.888 1.00 0.00 C ATOM 289 OE1 GLU A 19 3.870 12.715 -5.165 1.00 0.00 O ATOM 290 OE2 GLU A 19 5.785 13.278 -6.010 1.00 0.00 O ATOM 0 H GLU A 19 2.606 9.298 -6.326 1.00 0.00 H new ATOM 0 HA GLU A 19 5.165 8.601 -7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.287 10.060 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.962 9.856 -5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.668 11.169 -7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.921 11.111 -7.286 1.00 0.00 H new ATOM 297 N ALA A 20 4.042 7.118 -4.694 1.00 0.00 N ATOM 298 CA ALA A 20 4.167 5.915 -3.891 1.00 0.00 C ATOM 299 C ALA A 20 4.143 4.680 -4.782 1.00 0.00 C ATOM 300 O ALA A 20 4.891 3.744 -4.532 1.00 0.00 O ATOM 301 CB ALA A 20 3.044 5.867 -2.853 1.00 0.00 C ATOM 0 H ALA A 20 3.243 7.700 -4.443 1.00 0.00 H new ATOM 0 HA ALA A 20 5.122 5.931 -3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.142 4.962 -2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.110 6.741 -2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.079 5.863 -3.361 1.00 0.00 H new ATOM 307 N ILE A 21 3.310 4.695 -5.820 1.00 0.00 N ATOM 308 CA ILE A 21 3.236 3.666 -6.843 1.00 0.00 C ATOM 309 C ILE A 21 4.526 3.624 -7.659 1.00 0.00 C ATOM 310 O ILE A 21 5.013 2.540 -7.965 1.00 0.00 O ATOM 311 CB ILE A 21 1.977 3.947 -7.709 1.00 0.00 C ATOM 312 CG1 ILE A 21 0.738 3.332 -7.025 1.00 0.00 C ATOM 313 CG2 ILE A 21 2.089 3.515 -9.179 1.00 0.00 C ATOM 314 CD1 ILE A 21 -0.595 3.696 -7.693 1.00 0.00 C ATOM 0 H ILE A 21 2.646 5.454 -5.973 1.00 0.00 H new ATOM 0 HA ILE A 21 3.138 2.676 -6.398 1.00 0.00 H new ATOM 0 HB ILE A 21 1.876 5.031 -7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.843 2.247 -7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.712 3.658 -5.985 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.161 3.753 -9.700 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.917 4.044 -9.652 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.269 2.441 -9.230 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.414 3.224 -7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.726 4.778 -7.678 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.593 3.345 -8.725 1.00 0.00 H new ATOM 326 N GLU A 22 5.084 4.774 -8.044 1.00 0.00 N ATOM 327 CA GLU A 22 6.288 4.770 -8.861 1.00 0.00 C ATOM 328 C GLU A 22 7.450 4.190 -8.038 1.00 0.00 C ATOM 329 O GLU A 22 8.357 3.564 -8.596 1.00 0.00 O ATOM 330 CB GLU A 22 6.573 6.189 -9.381 1.00 0.00 C ATOM 331 CG GLU A 22 7.813 6.256 -10.287 1.00 0.00 C ATOM 332 CD GLU A 22 7.689 5.285 -11.467 1.00 0.00 C ATOM 333 OE1 GLU A 22 6.697 5.370 -12.222 1.00 0.00 O ATOM 334 OE2 GLU A 22 8.543 4.380 -11.619 1.00 0.00 O ATOM 0 H GLU A 22 4.727 5.699 -7.807 1.00 0.00 H new ATOM 0 HA GLU A 22 6.157 4.136 -9.738 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.705 6.549 -9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.712 6.860 -8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.940 7.272 -10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.704 6.016 -9.707 1.00 0.00 H new ATOM 341 N ARG A 23 7.434 4.371 -6.711 1.00 0.00 N ATOM 342 CA ARG A 23 8.416 3.749 -5.843 1.00 0.00 C ATOM 343 C ARG A 23 8.099 2.266 -5.669 1.00 0.00 C ATOM 344 O ARG A 23 8.932 1.433 -6.011 1.00 0.00 O ATOM 345 CB ARG A 23 8.494 4.444 -4.468 1.00 0.00 C ATOM 346 CG ARG A 23 9.877 4.159 -3.878 1.00 0.00 C ATOM 347 CD ARG A 23 9.930 4.458 -2.385 1.00 0.00 C ATOM 348 NE ARG A 23 11.302 4.277 -1.892 1.00 0.00 N ATOM 349 CZ ARG A 23 12.276 5.192 -1.949 1.00 0.00 C ATOM 350 NH1 ARG A 23 12.018 6.457 -2.258 1.00 0.00 N ATOM 351 NH2 ARG A 23 13.534 4.844 -1.724 1.00 0.00 N ATOM 0 H ARG A 23 6.747 4.946 -6.224 1.00 0.00 H new ATOM 0 HA ARG A 23 9.391 3.857 -6.319 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.337 5.518 -4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.712 4.071 -3.806 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.136 3.114 -4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.624 4.761 -4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.597 5.479 -2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.250 3.797 -1.848 1.00 0.00 H new ATOM 0 HE ARG A 23 11.531 3.377 -1.470 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.061 6.748 -2.458 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.777 7.138 -2.296 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.764 3.874 -1.506 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.273 5.546 -1.769 1.00 0.00 H new ATOM 365 N ASP A 24 6.941 1.934 -5.106 1.00 0.00 N ATOM 366 CA ASP A 24 6.550 0.577 -4.744 1.00 0.00 C ATOM 367 C ASP A 24 6.071 -0.249 -5.942 1.00 0.00 C ATOM 368 O ASP A 24 4.935 -0.062 -6.398 1.00 0.00 O ATOM 369 CB ASP A 24 5.446 0.593 -3.681 1.00 0.00 C ATOM 370 CG ASP A 24 5.157 -0.821 -3.148 1.00 0.00 C ATOM 371 OD1 ASP A 24 5.993 -1.741 -3.330 1.00 0.00 O ATOM 372 OD2 ASP A 24 4.045 -1.026 -2.616 1.00 0.00 O ATOM 0 H ASP A 24 6.226 2.626 -4.882 1.00 0.00 H new ATOM 0 HA ASP A 24 7.449 0.104 -4.348 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.743 1.240 -2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.536 1.016 -4.106 1.00 0.00 H new ATOM 377 N PRO A 25 6.857 -1.225 -6.431 1.00 0.00 N ATOM 378 CA PRO A 25 6.409 -2.088 -7.512 1.00 0.00 C ATOM 379 C PRO A 25 5.173 -2.904 -7.118 1.00 0.00 C ATOM 380 O PRO A 25 4.451 -3.335 -8.020 1.00 0.00 O ATOM 381 CB PRO A 25 7.610 -2.978 -7.849 1.00 0.00 C ATOM 382 CG PRO A 25 8.365 -3.052 -6.529 1.00 0.00 C ATOM 383 CD PRO A 25 8.167 -1.655 -5.961 1.00 0.00 C ATOM 0 HA PRO A 25 6.092 -1.510 -8.380 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.297 -3.965 -8.191 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.223 -2.546 -8.640 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.958 -3.820 -5.871 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.420 -3.285 -6.677 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.209 -1.665 -4.872 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.949 -0.977 -6.304 1.00 0.00 H new ATOM 391 N TRP A 26 4.900 -3.120 -5.821 1.00 0.00 N ATOM 392 CA TRP A 26 3.680 -3.784 -5.383 1.00 0.00 C ATOM 393 C TRP A 26 2.476 -2.849 -5.495 1.00 0.00 C ATOM 394 O TRP A 26 1.467 -3.254 -6.059 1.00 0.00 O ATOM 395 CB TRP A 26 3.824 -4.340 -3.965 1.00 0.00 C ATOM 396 CG TRP A 26 2.559 -4.917 -3.405 1.00 0.00 C ATOM 397 CD1 TRP A 26 1.974 -4.510 -2.263 1.00 0.00 C ATOM 398 CD2 TRP A 26 1.684 -5.947 -3.953 1.00 0.00 C ATOM 399 NE1 TRP A 26 0.798 -5.209 -2.055 1.00 0.00 N ATOM 400 CE2 TRP A 26 0.551 -6.089 -3.094 1.00 0.00 C ATOM 401 CE3 TRP A 26 1.768 -6.820 -5.056 1.00 0.00 C ATOM 402 CZ2 TRP A 26 -0.482 -7.002 -3.374 1.00 0.00 C ATOM 403 CZ3 TRP A 26 0.786 -7.793 -5.304 1.00 0.00 C ATOM 404 CH2 TRP A 26 -0.363 -7.847 -4.497 1.00 0.00 C ATOM 0 H TRP A 26 5.518 -2.839 -5.060 1.00 0.00 H new ATOM 0 HA TRP A 26 3.507 -4.630 -6.048 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.594 -5.111 -3.965 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.170 -3.543 -3.307 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.366 -3.749 -1.605 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.193 -5.091 -1.243 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.609 -6.739 -5.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -1.353 -7.055 -2.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.914 -8.498 -6.113 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.158 -8.538 -4.737 1.00 0.00 H new ATOM 415 N ALA A 27 2.541 -1.604 -5.017 1.00 0.00 N ATOM 416 CA ALA A 27 1.452 -0.644 -5.192 1.00 0.00 C ATOM 417 C ALA A 27 1.112 -0.484 -6.679 1.00 0.00 C ATOM 418 O ALA A 27 -0.071 -0.438 -7.032 1.00 0.00 O ATOM 419 CB ALA A 27 1.822 0.712 -4.589 1.00 0.00 C ATOM 0 H ALA A 27 3.342 -1.237 -4.503 1.00 0.00 H new ATOM 0 HA ALA A 27 0.575 -1.027 -4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.997 1.410 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.019 0.595 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.714 1.099 -5.083 1.00 0.00 H new ATOM 425 N ALA A 28 2.128 -0.419 -7.548 1.00 0.00 N ATOM 426 CA ALA A 28 1.936 -0.341 -8.991 1.00 0.00 C ATOM 427 C ALA A 28 1.237 -1.597 -9.514 1.00 0.00 C ATOM 428 O ALA A 28 0.312 -1.499 -10.329 1.00 0.00 O ATOM 429 CB ALA A 28 3.290 -0.165 -9.681 1.00 0.00 C ATOM 0 H ALA A 28 3.108 -0.419 -7.264 1.00 0.00 H new ATOM 0 HA ALA A 28 1.303 0.518 -9.214 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.144 -0.107 -10.760 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.761 0.753 -9.329 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.931 -1.015 -9.447 1.00 0.00 H new ATOM 435 N GLN A 29 1.647 -2.771 -9.022 1.00 0.00 N ATOM 436 CA GLN A 29 0.990 -4.033 -9.332 1.00 0.00 C ATOM 437 C GLN A 29 -0.470 -3.961 -8.898 1.00 0.00 C ATOM 438 O GLN A 29 -1.338 -4.244 -9.712 1.00 0.00 O ATOM 439 CB GLN A 29 1.723 -5.231 -8.699 1.00 0.00 C ATOM 440 CG GLN A 29 2.935 -5.633 -9.551 1.00 0.00 C ATOM 441 CD GLN A 29 3.891 -6.617 -8.865 1.00 0.00 C ATOM 442 OE1 GLN A 29 4.079 -6.624 -7.649 1.00 0.00 O ATOM 443 NE2 GLN A 29 4.547 -7.464 -9.637 1.00 0.00 N ATOM 0 H GLN A 29 2.447 -2.867 -8.396 1.00 0.00 H new ATOM 0 HA GLN A 29 1.026 -4.195 -10.409 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.049 -4.974 -7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.040 -6.075 -8.607 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.579 -6.078 -10.480 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.489 -4.734 -9.820 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.393 -7.460 -10.645 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.208 -8.122 -9.225 1.00 0.00 H new ATOM 452 N VAL A 30 -0.783 -3.539 -7.673 1.00 0.00 N ATOM 453 CA VAL A 30 -2.152 -3.481 -7.166 1.00 0.00 C ATOM 454 C VAL A 30 -3.024 -2.576 -8.034 1.00 0.00 C ATOM 455 O VAL A 30 -4.193 -2.897 -8.261 1.00 0.00 O ATOM 456 CB VAL A 30 -2.144 -3.070 -5.676 1.00 0.00 C ATOM 457 CG1 VAL A 30 -3.537 -2.752 -5.108 1.00 0.00 C ATOM 458 CG2 VAL A 30 -1.550 -4.201 -4.827 1.00 0.00 C ATOM 0 H VAL A 30 -0.085 -3.225 -6.999 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.602 -4.472 -7.225 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.546 -2.160 -5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.447 -2.472 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.978 -1.927 -5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.175 -3.631 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.547 -3.905 -3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.152 -5.102 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.528 -4.401 -5.151 1.00 0.00 H new ATOM 468 N SER A 31 -2.458 -1.496 -8.574 1.00 0.00 N ATOM 469 CA SER A 31 -3.192 -0.638 -9.481 1.00 0.00 C ATOM 470 C SER A 31 -3.518 -1.388 -10.778 1.00 0.00 C ATOM 471 O SER A 31 -4.628 -1.254 -11.295 1.00 0.00 O ATOM 472 CB SER A 31 -2.400 0.653 -9.722 1.00 0.00 C ATOM 473 OG SER A 31 -3.273 1.728 -10.016 1.00 0.00 O ATOM 0 H SER A 31 -1.498 -1.202 -8.395 1.00 0.00 H new ATOM 0 HA SER A 31 -4.147 -0.356 -9.037 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.806 0.891 -8.840 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.702 0.509 -10.547 1.00 0.00 H new ATOM 0 HG SER A 31 -2.750 2.543 -10.165 1.00 0.00 H new ATOM 479 N GLN A 32 -2.611 -2.240 -11.265 1.00 0.00 N ATOM 480 CA GLN A 32 -2.847 -3.048 -12.452 1.00 0.00 C ATOM 481 C GLN A 32 -3.935 -4.080 -12.117 1.00 0.00 C ATOM 482 O GLN A 32 -4.869 -4.289 -12.894 1.00 0.00 O ATOM 483 CB GLN A 32 -1.523 -3.706 -12.896 1.00 0.00 C ATOM 484 CG GLN A 32 -1.672 -4.555 -14.160 1.00 0.00 C ATOM 485 CD GLN A 32 -0.428 -5.392 -14.467 1.00 0.00 C ATOM 486 OE1 GLN A 32 -0.522 -6.613 -14.613 1.00 0.00 O ATOM 487 NE2 GLN A 32 0.738 -4.780 -14.599 1.00 0.00 N ATOM 0 H GLN A 32 -1.694 -2.385 -10.843 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.196 -2.441 -13.287 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.779 -2.929 -13.072 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.145 -4.332 -12.087 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.530 -5.217 -14.047 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.882 -3.902 -15.007 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.800 -3.769 -14.475 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.574 -5.319 -14.824 1.00 0.00 H new ATOM 496 N LEU A 33 -3.832 -4.696 -10.935 1.00 0.00 N ATOM 497 CA LEU A 33 -4.692 -5.779 -10.461 1.00 0.00 C ATOM 498 C LEU A 33 -6.149 -5.356 -10.293 1.00 0.00 C ATOM 499 O LEU A 33 -7.026 -6.213 -10.179 1.00 0.00 O ATOM 500 CB LEU A 33 -4.190 -6.309 -9.105 1.00 0.00 C ATOM 501 CG LEU A 33 -2.847 -7.044 -9.030 1.00 0.00 C ATOM 502 CD1 LEU A 33 -2.764 -7.910 -7.768 1.00 0.00 C ATOM 503 CD2 LEU A 33 -2.652 -7.876 -10.284 1.00 0.00 C ATOM 0 H LEU A 33 -3.116 -4.441 -10.255 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.646 -6.553 -11.227 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.136 -5.461 -8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.953 -6.983 -8.716 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.044 -6.310 -8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.801 -8.420 -7.740 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.866 -7.278 -6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.566 -8.648 -7.780 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.697 -8.398 -10.229 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.459 -8.604 -10.367 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.660 -7.224 -11.158 1.00 0.00 H new ATOM 515 N SER A 34 -6.398 -4.050 -10.278 1.00 0.00 N ATOM 516 CA SER A 34 -7.723 -3.439 -10.250 1.00 0.00 C ATOM 517 C SER A 34 -8.602 -3.962 -9.103 1.00 0.00 C ATOM 518 O SER A 34 -9.802 -4.187 -9.281 1.00 0.00 O ATOM 519 CB SER A 34 -8.390 -3.635 -11.616 1.00 0.00 C ATOM 520 OG SER A 34 -7.590 -3.127 -12.674 1.00 0.00 O ATOM 0 H SER A 34 -5.649 -3.358 -10.285 1.00 0.00 H new ATOM 0 HA SER A 34 -7.604 -2.374 -10.053 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.577 -4.696 -11.780 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.359 -3.136 -11.622 1.00 0.00 H new ATOM 0 HG SER A 34 -6.760 -3.644 -12.734 1.00 0.00 H new ATOM 526 N LEU A 35 -8.006 -4.184 -7.924 1.00 0.00 N ATOM 527 CA LEU A 35 -8.730 -4.730 -6.778 1.00 0.00 C ATOM 528 C LEU A 35 -9.948 -3.859 -6.437 1.00 0.00 C ATOM 529 O LEU A 35 -9.855 -2.637 -6.554 1.00 0.00 O ATOM 530 CB LEU A 35 -7.819 -4.871 -5.547 1.00 0.00 C ATOM 531 CG LEU A 35 -7.122 -6.236 -5.422 1.00 0.00 C ATOM 532 CD1 LEU A 35 -6.320 -6.626 -6.647 1.00 0.00 C ATOM 533 CD2 LEU A 35 -6.114 -6.195 -4.280 1.00 0.00 C ATOM 0 H LEU A 35 -7.021 -3.992 -7.743 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.075 -5.725 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.059 -4.091 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.413 -4.697 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.928 -6.954 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.858 -7.600 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.980 -6.678 -7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.544 -5.882 -6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.622 -7.164 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.368 -5.426 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.630 -5.966 -3.347 1.00 0.00 H new ATOM 545 N PRO A 36 -11.060 -4.467 -5.976 1.00 0.00 N ATOM 546 CA PRO A 36 -12.324 -3.788 -5.709 1.00 0.00 C ATOM 547 C PRO A 36 -12.230 -2.870 -4.477 1.00 0.00 C ATOM 548 O PRO A 36 -11.715 -1.762 -4.581 1.00 0.00 O ATOM 549 CB PRO A 36 -13.367 -4.916 -5.603 1.00 0.00 C ATOM 550 CG PRO A 36 -12.541 -6.108 -5.116 1.00 0.00 C ATOM 551 CD PRO A 36 -11.242 -5.906 -5.882 1.00 0.00 C ATOM 0 HA PRO A 36 -12.612 -3.095 -6.500 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.163 -4.664 -4.902 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.840 -5.119 -6.564 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.389 -6.089 -4.037 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.014 -7.061 -5.354 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.405 -6.373 -5.363 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.297 -6.359 -6.872 1.00 0.00 H new ATOM 559 N LYS A 37 -12.724 -3.291 -3.304 1.00 0.00 N ATOM 560 CA LYS A 37 -12.761 -2.464 -2.094 1.00 0.00 C ATOM 561 C LYS A 37 -12.345 -3.289 -0.889 1.00 0.00 C ATOM 562 O LYS A 37 -11.369 -2.944 -0.230 1.00 0.00 O ATOM 563 CB LYS A 37 -14.159 -1.837 -1.920 1.00 0.00 C ATOM 564 CG LYS A 37 -14.158 -0.304 -1.883 1.00 0.00 C ATOM 565 CD LYS A 37 -13.592 0.318 -3.170 1.00 0.00 C ATOM 566 CE LYS A 37 -14.245 1.663 -3.486 1.00 0.00 C ATOM 567 NZ LYS A 37 -13.707 2.255 -4.729 1.00 0.00 N ATOM 0 H LYS A 37 -13.112 -4.225 -3.169 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.050 -1.643 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.799 -2.169 -2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.601 -2.212 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.176 0.053 -1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.569 0.035 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.515 0.452 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.748 -0.367 -4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.322 1.530 -3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.082 2.350 -2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.174 3.166 -4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.683 2.405 -4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.885 1.611 -5.526 1.00 0.00 H new ATOM 581 N LEU A 38 -13.035 -4.397 -0.612 1.00 0.00 N ATOM 582 CA LEU A 38 -12.655 -5.339 0.443 1.00 0.00 C ATOM 583 C LEU A 38 -11.248 -5.849 0.162 1.00 0.00 C ATOM 584 O LEU A 38 -10.354 -5.722 0.994 1.00 0.00 O ATOM 585 CB LEU A 38 -13.657 -6.506 0.511 1.00 0.00 C ATOM 586 CG LEU A 38 -13.208 -7.689 1.396 1.00 0.00 C ATOM 587 CD1 LEU A 38 -13.010 -7.280 2.860 1.00 0.00 C ATOM 588 CD2 LEU A 38 -14.246 -8.808 1.308 1.00 0.00 C ATOM 0 H LEU A 38 -13.879 -4.668 -1.117 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.670 -4.834 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.608 -6.129 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.836 -6.873 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.243 -8.034 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.695 -8.147 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.246 -6.505 2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.948 -6.897 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.932 -9.645 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.210 -8.438 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.336 -9.140 0.274 1.00 0.00 H new ATOM 600 N VAL A 39 -11.059 -6.424 -1.026 1.00 0.00 N ATOM 601 CA VAL A 39 -9.792 -7.033 -1.397 1.00 0.00 C ATOM 602 C VAL A 39 -8.737 -5.935 -1.568 1.00 0.00 C ATOM 603 O VAL A 39 -7.580 -6.162 -1.225 1.00 0.00 O ATOM 604 CB VAL A 39 -9.955 -7.925 -2.646 1.00 0.00 C ATOM 605 CG1 VAL A 39 -8.743 -8.848 -2.835 1.00 0.00 C ATOM 606 CG2 VAL A 39 -11.224 -8.793 -2.571 1.00 0.00 C ATOM 0 H VAL A 39 -11.776 -6.478 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.448 -7.697 -0.604 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.037 -7.246 -3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.889 -9.463 -3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.842 -8.246 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.636 -9.491 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.300 -9.405 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.171 -9.440 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.101 -8.150 -2.495 1.00 0.00 H new ATOM 616 N GLU A 40 -9.127 -4.730 -2.016 1.00 0.00 N ATOM 617 CA GLU A 40 -8.216 -3.587 -2.090 1.00 0.00 C ATOM 618 C GLU A 40 -7.667 -3.343 -0.682 1.00 0.00 C ATOM 619 O GLU A 40 -6.455 -3.275 -0.511 1.00 0.00 O ATOM 620 CB GLU A 40 -8.925 -2.347 -2.677 1.00 0.00 C ATOM 621 CG GLU A 40 -7.983 -1.132 -2.801 1.00 0.00 C ATOM 622 CD GLU A 40 -8.687 0.232 -2.898 1.00 0.00 C ATOM 623 OE1 GLU A 40 -9.497 0.550 -1.995 1.00 0.00 O ATOM 624 OE2 GLU A 40 -8.332 1.045 -3.790 1.00 0.00 O ATOM 0 H GLU A 40 -10.075 -4.527 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.387 -3.795 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.326 -2.593 -3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.772 -2.083 -2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.317 -1.119 -1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.358 -1.265 -3.684 1.00 0.00 H new ATOM 631 N GLN A 41 -8.531 -3.305 0.338 1.00 0.00 N ATOM 632 CA GLN A 41 -8.125 -3.072 1.717 1.00 0.00 C ATOM 633 C GLN A 41 -7.189 -4.172 2.228 1.00 0.00 C ATOM 634 O GLN A 41 -6.354 -3.895 3.085 1.00 0.00 O ATOM 635 CB GLN A 41 -9.365 -2.928 2.611 1.00 0.00 C ATOM 636 CG GLN A 41 -9.070 -2.158 3.906 1.00 0.00 C ATOM 637 CD GLN A 41 -10.360 -1.585 4.482 1.00 0.00 C ATOM 638 OE1 GLN A 41 -11.272 -2.437 4.915 1.00 0.00 O flip ATOM 639 NE2 GLN A 41 -10.580 -0.377 4.477 1.00 0.00 N flip ATOM 0 H GLN A 41 -9.536 -3.436 0.223 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.560 -2.140 1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.150 -2.414 2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.747 -3.918 2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.601 -2.821 4.633 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.363 -1.353 3.706 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.867 0.270 4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.476 -0.020 4.810 1.00 0.00 H new ATOM 648 N VAL A 42 -7.310 -5.403 1.727 1.00 0.00 N ATOM 649 CA VAL A 42 -6.398 -6.496 2.041 1.00 0.00 C ATOM 650 C VAL A 42 -5.025 -6.183 1.447 1.00 0.00 C ATOM 651 O VAL A 42 -4.059 -6.115 2.201 1.00 0.00 O ATOM 652 CB VAL A 42 -7.012 -7.837 1.579 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.007 -8.977 1.358 1.00 0.00 C ATOM 654 CG2 VAL A 42 -8.056 -8.252 2.620 1.00 0.00 C ATOM 0 H VAL A 42 -8.055 -5.669 1.083 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.250 -6.599 3.116 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.448 -7.665 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.538 -9.873 1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.289 -8.685 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.480 -9.183 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.510 -9.198 2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.575 -8.369 3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.827 -7.485 2.688 1.00 0.00 H new ATOM 664 N ALA A 43 -4.923 -5.960 0.133 1.00 0.00 N ATOM 665 CA ALA A 43 -3.645 -5.671 -0.508 1.00 0.00 C ATOM 666 C ALA A 43 -3.004 -4.405 0.058 1.00 0.00 C ATOM 667 O ALA A 43 -1.788 -4.349 0.202 1.00 0.00 O ATOM 668 CB ALA A 43 -3.839 -5.535 -2.014 1.00 0.00 C ATOM 0 H ALA A 43 -5.717 -5.975 -0.507 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.971 -6.502 -0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.881 -5.319 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.240 -6.466 -2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.536 -4.722 -2.219 1.00 0.00 H new ATOM 674 N LEU A 44 -3.814 -3.404 0.397 1.00 0.00 N ATOM 675 CA LEU A 44 -3.399 -2.169 1.042 1.00 0.00 C ATOM 676 C LEU A 44 -2.809 -2.447 2.419 1.00 0.00 C ATOM 677 O LEU A 44 -1.839 -1.794 2.806 1.00 0.00 O ATOM 678 CB LEU A 44 -4.580 -1.187 1.116 1.00 0.00 C ATOM 679 CG LEU A 44 -4.866 -0.409 -0.187 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.099 0.477 0.037 1.00 0.00 C ATOM 681 CD2 LEU A 44 -3.700 0.484 -0.639 1.00 0.00 C ATOM 0 H LEU A 44 -4.818 -3.437 0.221 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.614 -1.706 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.476 -1.741 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.387 -0.470 1.914 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.025 -1.148 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.316 1.035 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.955 -0.148 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.903 1.174 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.972 0.999 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.482 1.218 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.818 -0.131 -0.815 1.00 0.00 H new ATOM 693 N ASN A 45 -3.349 -3.417 3.157 1.00 0.00 N ATOM 694 CA ASN A 45 -2.851 -3.774 4.478 1.00 0.00 C ATOM 695 C ASN A 45 -1.831 -4.910 4.413 1.00 0.00 C ATOM 696 O ASN A 45 -1.569 -5.514 5.453 1.00 0.00 O ATOM 697 CB ASN A 45 -4.019 -4.090 5.426 1.00 0.00 C ATOM 698 CG ASN A 45 -4.648 -2.808 5.942 1.00 0.00 C ATOM 699 OD1 ASN A 45 -4.099 -2.166 6.836 1.00 0.00 O ATOM 700 ND2 ASN A 45 -5.805 -2.429 5.432 1.00 0.00 N ATOM 0 H ASN A 45 -4.146 -3.976 2.852 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.320 -2.914 4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.768 -4.685 4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.663 -4.690 6.264 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.264 -1.587 5.779 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.240 -2.979 4.691 1.00 0.00 H new ATOM 707 N ALA A 46 -1.237 -5.220 3.252 1.00 0.00 N ATOM 708 CA ALA A 46 -0.197 -6.228 3.154 1.00 0.00 C ATOM 709 C ALA A 46 0.969 -5.762 2.297 1.00 0.00 C ATOM 710 O ALA A 46 0.776 -5.036 1.329 1.00 0.00 O ATOM 711 CB ALA A 46 -0.781 -7.517 2.566 1.00 0.00 C ATOM 0 H ALA A 46 -1.470 -4.776 2.364 1.00 0.00 H new ATOM 0 HA ALA A 46 0.181 -6.411 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.002 -8.272 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.579 -7.883 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.182 -7.315 1.573 1.00 0.00 H new ATOM 717 N TRP A 47 2.173 -6.225 2.615 1.00 0.00 N ATOM 718 CA TRP A 47 3.364 -5.979 1.810 1.00 0.00 C ATOM 719 C TRP A 47 3.680 -7.298 1.119 1.00 0.00 C ATOM 720 O TRP A 47 3.515 -8.384 1.681 1.00 0.00 O ATOM 721 CB TRP A 47 4.537 -5.428 2.621 1.00 0.00 C ATOM 722 CG TRP A 47 5.081 -6.277 3.717 1.00 0.00 C ATOM 723 CD1 TRP A 47 4.620 -6.303 4.987 1.00 0.00 C ATOM 724 CD2 TRP A 47 6.216 -7.198 3.672 1.00 0.00 C ATOM 725 NE1 TRP A 47 5.474 -7.069 5.749 1.00 0.00 N ATOM 726 CE2 TRP A 47 6.465 -7.658 4.996 1.00 0.00 C ATOM 727 CE3 TRP A 47 7.065 -7.687 2.655 1.00 0.00 C ATOM 728 CZ2 TRP A 47 7.524 -8.523 5.306 1.00 0.00 C ATOM 729 CZ3 TRP A 47 8.119 -8.574 2.951 1.00 0.00 C ATOM 730 CH2 TRP A 47 8.356 -8.980 4.274 1.00 0.00 C ATOM 0 H TRP A 47 2.351 -6.787 3.447 1.00 0.00 H new ATOM 0 HA TRP A 47 3.180 -5.193 1.078 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.351 -5.212 1.929 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.227 -4.478 3.055 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.730 -5.806 5.345 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.383 -7.187 6.758 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.904 -7.376 1.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.697 -8.833 6.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.749 -8.944 2.155 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.178 -9.644 4.497 1.00 0.00 H new ATOM 741 N LYS A 48 4.075 -7.209 -0.143 1.00 0.00 N ATOM 742 CA LYS A 48 4.274 -8.367 -0.989 1.00 0.00 C ATOM 743 C LYS A 48 5.694 -8.890 -0.952 1.00 0.00 C ATOM 744 O LYS A 48 6.620 -8.150 -1.290 1.00 0.00 O ATOM 745 CB LYS A 48 3.921 -7.905 -2.407 1.00 0.00 C ATOM 746 CG LYS A 48 4.032 -8.970 -3.502 1.00 0.00 C ATOM 747 CD LYS A 48 4.756 -8.492 -4.775 1.00 0.00 C ATOM 748 CE LYS A 48 6.153 -9.108 -4.895 1.00 0.00 C ATOM 749 NZ LYS A 48 7.185 -8.485 -4.033 1.00 0.00 N ATOM 0 H LYS A 48 4.267 -6.322 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 48 3.651 -9.192 -0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.900 -7.522 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.572 -7.071 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.560 -9.835 -3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.030 -9.305 -3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.165 -8.757 -5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.837 -7.405 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.089 -10.169 -4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.477 -9.038 -5.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.981 -9.143 -3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.524 -7.608 -4.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.774 -8.266 -3.103 1.00 0.00 H new ATOM 763 N GLU A 49 5.850 -10.169 -0.642 1.00 0.00 N ATOM 764 CA GLU A 49 7.109 -10.883 -0.696 1.00 0.00 C ATOM 765 C GLU A 49 6.907 -11.880 -1.832 1.00 0.00 C ATOM 766 O GLU A 49 5.996 -12.702 -1.752 1.00 0.00 O ATOM 767 CB GLU A 49 7.401 -11.615 0.620 1.00 0.00 C ATOM 768 CG GLU A 49 8.613 -12.553 0.515 1.00 0.00 C ATOM 769 CD GLU A 49 9.933 -11.791 0.415 1.00 0.00 C ATOM 770 OE1 GLU A 49 10.221 -11.160 -0.630 1.00 0.00 O ATOM 771 OE2 GLU A 49 10.724 -11.854 1.383 1.00 0.00 O ATOM 0 H GLU A 49 5.073 -10.755 -0.336 1.00 0.00 H new ATOM 0 HA GLU A 49 7.957 -10.216 -0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.580 -10.883 1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.524 -12.192 0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.639 -13.207 1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.499 -13.193 -0.360 1.00 0.00 H new ATOM 778 N GLU A 50 7.645 -11.768 -2.929 1.00 0.00 N ATOM 779 CA GLU A 50 7.614 -12.758 -3.992 1.00 0.00 C ATOM 780 C GLU A 50 8.713 -13.761 -3.652 1.00 0.00 C ATOM 781 O GLU A 50 9.834 -13.375 -3.308 1.00 0.00 O ATOM 782 CB GLU A 50 7.782 -12.089 -5.361 1.00 0.00 C ATOM 783 CG GLU A 50 8.198 -13.069 -6.463 1.00 0.00 C ATOM 784 CD GLU A 50 7.932 -12.493 -7.848 1.00 0.00 C ATOM 785 OE1 GLU A 50 6.742 -12.402 -8.242 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.894 -12.139 -8.565 1.00 0.00 O ATOM 0 H GLU A 50 8.280 -10.989 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 50 6.657 -13.276 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.843 -11.612 -5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.530 -11.300 -5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.258 -13.304 -6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.652 -14.005 -6.345 1.00 0.00 H new ATOM 793 N SER A 51 8.388 -15.042 -3.760 1.00 0.00 N ATOM 794 CA SER A 51 9.295 -16.161 -3.580 1.00 0.00 C ATOM 795 C SER A 51 9.470 -16.850 -4.938 1.00 0.00 C ATOM 796 O SER A 51 8.829 -16.445 -5.913 1.00 0.00 O ATOM 797 CB SER A 51 8.862 -17.060 -2.424 1.00 0.00 C ATOM 798 OG SER A 51 8.455 -16.307 -1.290 1.00 0.00 O ATOM 0 H SER A 51 7.439 -15.340 -3.986 1.00 0.00 H new ATOM 0 HA SER A 51 10.284 -15.828 -3.265 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.041 -17.699 -2.749 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.686 -17.717 -2.147 1.00 0.00 H new ATOM 0 HG SER A 51 8.184 -16.917 -0.572 1.00 0.00 H new ATOM 804 N ASP A 52 10.290 -17.902 -4.996 1.00 0.00 N ATOM 805 CA ASP A 52 10.733 -18.635 -6.188 1.00 0.00 C ATOM 806 C ASP A 52 9.685 -18.697 -7.292 1.00 0.00 C ATOM 807 O ASP A 52 9.980 -18.294 -8.418 1.00 0.00 O ATOM 808 CB ASP A 52 11.144 -20.072 -5.831 1.00 0.00 C ATOM 809 CG ASP A 52 12.422 -20.158 -5.000 1.00 0.00 C ATOM 810 OD1 ASP A 52 12.471 -19.552 -3.903 1.00 0.00 O ATOM 811 OD2 ASP A 52 13.356 -20.881 -5.414 1.00 0.00 O ATOM 0 H ASP A 52 10.694 -18.295 -4.146 1.00 0.00 H new ATOM 0 HA ASP A 52 11.586 -18.072 -6.566 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.331 -20.547 -5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.281 -20.640 -6.751 1.00 0.00 H new ATOM 816 N ASN A 53 8.466 -19.150 -6.997 1.00 0.00 N ATOM 817 CA ASN A 53 7.336 -19.147 -7.902 1.00 0.00 C ATOM 818 C ASN A 53 6.088 -19.004 -7.028 1.00 0.00 C ATOM 819 O ASN A 53 5.188 -19.847 -7.059 1.00 0.00 O ATOM 820 CB ASN A 53 7.350 -20.427 -8.746 1.00 0.00 C ATOM 821 CG ASN A 53 8.294 -20.308 -9.937 1.00 0.00 C ATOM 822 OD1 ASN A 53 8.097 -19.473 -10.816 1.00 0.00 O ATOM 823 ND2 ASN A 53 9.322 -21.136 -10.004 1.00 0.00 N ATOM 0 H ASN A 53 8.239 -19.543 -6.083 1.00 0.00 H new ATOM 0 HA ASN A 53 7.365 -18.324 -8.617 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.653 -21.269 -8.124 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.342 -20.640 -9.101 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.966 -21.087 -10.794 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.472 -21.824 -9.266 1.00 0.00 H new ATOM 830 N ALA A 54 6.092 -18.016 -6.130 1.00 0.00 N ATOM 831 CA ALA A 54 5.015 -17.778 -5.178 1.00 0.00 C ATOM 832 C ALA A 54 4.979 -16.311 -4.764 1.00 0.00 C ATOM 833 O ALA A 54 5.894 -15.552 -5.100 1.00 0.00 O ATOM 834 CB ALA A 54 5.269 -18.652 -3.946 1.00 0.00 C ATOM 0 H ALA A 54 6.860 -17.349 -6.046 1.00 0.00 H new ATOM 0 HA ALA A 54 4.058 -18.026 -5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.475 -18.492 -3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.285 -19.701 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.228 -18.386 -3.502 1.00 0.00 H new ATOM 840 N VAL A 55 3.929 -15.906 -4.047 1.00 0.00 N ATOM 841 CA VAL A 55 3.820 -14.571 -3.464 1.00 0.00 C ATOM 842 C VAL A 55 3.187 -14.691 -2.075 1.00 0.00 C ATOM 843 O VAL A 55 2.034 -15.090 -1.947 1.00 0.00 O ATOM 844 CB VAL A 55 3.053 -13.589 -4.381 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.084 -12.173 -3.798 1.00 0.00 C ATOM 846 CG2 VAL A 55 3.674 -13.456 -5.779 1.00 0.00 C ATOM 0 H VAL A 55 3.124 -16.502 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 55 4.818 -14.144 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 55 2.046 -14.001 -4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.540 -11.496 -4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.617 -12.175 -2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.118 -11.839 -3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.089 -12.753 -6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.697 -13.091 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.678 -14.429 -6.270 1.00 0.00 H new ATOM 856 N CYS A 56 3.930 -14.373 -1.018 1.00 0.00 N ATOM 857 CA CYS A 56 3.443 -14.306 0.348 1.00 0.00 C ATOM 858 C CYS A 56 3.089 -12.847 0.637 1.00 0.00 C ATOM 859 O CYS A 56 3.977 -12.006 0.791 1.00 0.00 O ATOM 860 CB CYS A 56 4.526 -14.779 1.329 1.00 0.00 C ATOM 861 SG CYS A 56 4.625 -16.587 1.355 1.00 0.00 S ATOM 0 H CYS A 56 4.922 -14.148 -1.097 1.00 0.00 H new ATOM 0 HA CYS A 56 2.573 -14.951 0.470 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.491 -14.362 1.041 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.304 -14.408 2.330 1.00 0.00 H new ATOM 0 HG CYS A 56 5.549 -16.959 2.190 1.00 0.00 H new ATOM 867 N LEU A 57 1.803 -12.515 0.681 1.00 0.00 N ATOM 868 CA LEU A 57 1.347 -11.188 1.077 1.00 0.00 C ATOM 869 C LEU A 57 1.319 -11.118 2.597 1.00 0.00 C ATOM 870 O LEU A 57 0.472 -11.732 3.240 1.00 0.00 O ATOM 871 CB LEU A 57 -0.012 -10.848 0.444 1.00 0.00 C ATOM 872 CG LEU A 57 0.220 -10.048 -0.845 1.00 0.00 C ATOM 873 CD1 LEU A 57 -1.033 -9.991 -1.709 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.628 -8.603 -0.544 1.00 0.00 C ATOM 0 H LEU A 57 1.048 -13.158 0.443 1.00 0.00 H new ATOM 0 HA LEU A 57 2.040 -10.433 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.564 -11.762 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.618 -10.269 1.142 1.00 0.00 H new ATOM 0 HG LEU A 57 1.019 -10.567 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.827 -9.416 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.332 -11.003 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.838 -9.514 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.784 -8.066 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.161 -8.114 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.552 -8.599 0.035 1.00 0.00 H new ATOM 886 N HIS A 58 2.281 -10.406 3.171 1.00 0.00 N ATOM 887 CA HIS A 58 2.422 -10.191 4.605 1.00 0.00 C ATOM 888 C HIS A 58 1.406 -9.156 5.072 1.00 0.00 C ATOM 889 O HIS A 58 1.660 -7.958 4.947 1.00 0.00 O ATOM 890 CB HIS A 58 3.841 -9.707 4.883 1.00 0.00 C ATOM 891 CG HIS A 58 4.936 -10.728 4.743 1.00 0.00 C ATOM 892 ND1 HIS A 58 5.709 -11.219 5.780 1.00 0.00 N ATOM 893 CD2 HIS A 58 5.491 -11.141 3.563 1.00 0.00 C ATOM 894 CE1 HIS A 58 6.751 -11.854 5.225 1.00 0.00 C ATOM 895 NE2 HIS A 58 6.634 -11.841 3.891 1.00 0.00 N ATOM 0 H HIS A 58 3.012 -9.945 2.629 1.00 0.00 H new ATOM 0 HA HIS A 58 2.239 -11.119 5.147 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.058 -8.879 4.208 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.873 -9.308 5.897 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.110 -10.956 2.570 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.564 -12.308 5.772 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.279 -12.274 3.231 1.00 0.00 H new ATOM 904 N LEU A 59 0.242 -9.598 5.542 1.00 0.00 N ATOM 905 CA LEU A 59 -0.879 -8.762 5.950 1.00 0.00 C ATOM 906 C LEU A 59 -0.763 -8.375 7.413 1.00 0.00 C ATOM 907 O LEU A 59 -0.508 -9.241 8.247 1.00 0.00 O ATOM 908 CB LEU A 59 -2.176 -9.572 5.780 1.00 0.00 C ATOM 909 CG LEU A 59 -3.468 -8.742 5.936 1.00 0.00 C ATOM 910 CD1 LEU A 59 -4.157 -8.520 4.591 1.00 0.00 C ATOM 911 CD2 LEU A 59 -4.449 -9.503 6.825 1.00 0.00 C ATOM 0 H LEU A 59 0.048 -10.593 5.653 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.882 -7.860 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.174 -10.037 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.186 -10.379 6.513 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.191 -7.780 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.063 -7.932 4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.483 -7.986 3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.417 -9.483 4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.364 -8.921 6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.685 -10.464 6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.000 -9.668 7.804 1.00 0.00 H new ATOM 923 N ARG A 60 -1.052 -7.117 7.752 1.00 0.00 N ATOM 924 CA ARG A 60 -1.099 -6.674 9.140 1.00 0.00 C ATOM 925 C ARG A 60 -2.021 -7.587 9.924 1.00 0.00 C ATOM 926 O ARG A 60 -3.208 -7.669 9.606 1.00 0.00 O ATOM 927 CB ARG A 60 -1.530 -5.206 9.275 1.00 0.00 C ATOM 928 CG ARG A 60 -0.566 -4.223 8.588 1.00 0.00 C ATOM 929 CD ARG A 60 0.749 -4.097 9.367 1.00 0.00 C ATOM 930 NE ARG A 60 1.821 -3.542 8.538 1.00 0.00 N ATOM 931 CZ ARG A 60 3.026 -4.071 8.306 1.00 0.00 C ATOM 932 NH1 ARG A 60 3.344 -5.314 8.658 1.00 0.00 N ATOM 933 NH2 ARG A 60 3.894 -3.293 7.692 1.00 0.00 N ATOM 0 H ARG A 60 -1.258 -6.383 7.074 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.090 -6.732 9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.526 -5.086 8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.604 -4.952 10.332 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.359 -4.563 7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.038 -3.244 8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.596 -3.460 10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.047 -5.078 9.738 1.00 0.00 H new ATOM 0 HE ARG A 60 1.625 -2.649 8.086 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.655 -5.904 9.125 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.277 -5.677 8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.629 -2.346 7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.831 -3.638 7.486 1.00 0.00 H new ATOM 947 N SER A 61 -1.493 -8.217 10.974 1.00 0.00 N ATOM 948 CA SER A 61 -2.270 -9.035 11.896 1.00 0.00 C ATOM 949 C SER A 61 -3.466 -8.223 12.414 1.00 0.00 C ATOM 950 O SER A 61 -4.575 -8.744 12.549 1.00 0.00 O ATOM 951 CB SER A 61 -1.341 -9.503 13.026 1.00 0.00 C ATOM 952 OG SER A 61 -1.926 -10.521 13.802 1.00 0.00 O ATOM 0 H SER A 61 -0.501 -8.171 11.208 1.00 0.00 H new ATOM 0 HA SER A 61 -2.674 -9.918 11.401 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.405 -9.865 12.600 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.094 -8.656 13.666 1.00 0.00 H new ATOM 0 HG SER A 61 -1.303 -10.792 14.509 1.00 0.00 H new ATOM 958 N SER A 62 -3.278 -6.912 12.587 1.00 0.00 N ATOM 959 CA SER A 62 -4.287 -6.001 13.100 1.00 0.00 C ATOM 960 C SER A 62 -5.480 -5.891 12.137 1.00 0.00 C ATOM 961 O SER A 62 -6.616 -5.711 12.573 1.00 0.00 O ATOM 962 CB SER A 62 -3.620 -4.648 13.365 1.00 0.00 C ATOM 963 OG SER A 62 -2.412 -4.844 14.086 1.00 0.00 O ATOM 0 H SER A 62 -2.396 -6.450 12.367 1.00 0.00 H new ATOM 0 HA SER A 62 -4.697 -6.381 14.035 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.414 -4.142 12.422 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.293 -4.004 13.932 1.00 0.00 H new ATOM 0 HG SER A 62 -1.986 -3.977 14.253 1.00 0.00 H new ATOM 969 N GLN A 63 -5.268 -6.133 10.839 1.00 0.00 N ATOM 970 CA GLN A 63 -6.278 -6.075 9.788 1.00 0.00 C ATOM 971 C GLN A 63 -6.638 -7.468 9.254 1.00 0.00 C ATOM 972 O GLN A 63 -7.359 -7.573 8.256 1.00 0.00 O ATOM 973 CB GLN A 63 -5.830 -5.102 8.681 1.00 0.00 C ATOM 974 CG GLN A 63 -6.057 -3.639 9.091 1.00 0.00 C ATOM 975 CD GLN A 63 -5.024 -3.104 10.085 1.00 0.00 C ATOM 976 OE1 GLN A 63 -5.284 -3.038 11.281 1.00 0.00 O ATOM 977 NE2 GLN A 63 -3.844 -2.725 9.628 1.00 0.00 N ATOM 0 H GLN A 63 -4.347 -6.385 10.481 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.202 -5.685 10.215 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.774 -5.260 8.462 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.381 -5.314 7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.043 -3.015 8.197 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.051 -3.545 9.529 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.640 -2.785 8.630 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.137 -2.372 10.273 1.00 0.00 H new ATOM 986 N ARG A 64 -6.243 -8.554 9.936 1.00 0.00 N ATOM 987 CA ARG A 64 -6.631 -9.907 9.532 1.00 0.00 C ATOM 988 C ARG A 64 -8.158 -10.078 9.506 1.00 0.00 C ATOM 989 O ARG A 64 -8.622 -10.994 8.828 1.00 0.00 O ATOM 990 CB ARG A 64 -5.905 -10.975 10.374 1.00 0.00 C ATOM 991 CG ARG A 64 -5.878 -12.332 9.642 1.00 0.00 C ATOM 992 CD ARG A 64 -5.010 -13.360 10.368 1.00 0.00 C ATOM 993 NE ARG A 64 -5.032 -14.679 9.706 1.00 0.00 N ATOM 994 CZ ARG A 64 -4.105 -15.636 9.858 1.00 0.00 C ATOM 995 NH1 ARG A 64 -3.062 -15.449 10.657 1.00 0.00 N ATOM 996 NH2 ARG A 64 -4.228 -16.791 9.218 1.00 0.00 N ATOM 0 H ARG A 64 -5.655 -8.518 10.769 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.302 -10.060 8.504 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.886 -10.649 10.581 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.405 -11.087 11.336 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.894 -12.715 9.552 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.500 -12.190 8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.983 -12.997 10.415 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.358 -13.466 11.395 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.815 -14.879 9.083 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.959 -14.570 11.164 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.364 -16.185 10.764 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.029 -16.953 8.608 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.521 -17.517 9.336 1.00 0.00 H new ATOM 1010 N HIS A 65 -8.952 -9.196 10.138 1.00 0.00 N ATOM 1011 CA HIS A 65 -10.411 -9.222 10.034 1.00 0.00 C ATOM 1012 C HIS A 65 -10.836 -9.247 8.557 1.00 0.00 C ATOM 1013 O HIS A 65 -11.719 -10.019 8.185 1.00 0.00 O ATOM 1014 CB HIS A 65 -11.066 -8.004 10.724 1.00 0.00 C ATOM 1015 CG HIS A 65 -10.424 -7.459 11.981 1.00 0.00 C ATOM 1016 ND1 HIS A 65 -10.659 -7.882 13.279 1.00 0.00 N ATOM 1017 CD2 HIS A 65 -9.659 -6.325 12.041 1.00 0.00 C ATOM 1018 CE1 HIS A 65 -10.025 -7.025 14.105 1.00 0.00 C ATOM 1019 NE2 HIS A 65 -9.409 -6.073 13.375 1.00 0.00 N ATOM 0 H HIS A 65 -8.595 -8.448 10.733 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.751 -10.125 10.541 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.111 -7.194 9.996 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.094 -8.272 10.966 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.316 -5.738 11.202 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -10.013 -7.091 15.183 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -8.855 -5.301 13.744 1.00 0.00 H new ATOM 1028 N LEU A 66 -10.202 -8.422 7.708 1.00 0.00 N ATOM 1029 CA LEU A 66 -10.563 -8.282 6.297 1.00 0.00 C ATOM 1030 C LEU A 66 -10.047 -9.461 5.473 1.00 0.00 C ATOM 1031 O LEU A 66 -10.672 -9.843 4.489 1.00 0.00 O ATOM 1032 CB LEU A 66 -9.970 -6.995 5.683 1.00 0.00 C ATOM 1033 CG LEU A 66 -10.471 -5.630 6.190 1.00 0.00 C ATOM 1034 CD1 LEU A 66 -11.997 -5.548 6.276 1.00 0.00 C ATOM 1035 CD2 LEU A 66 -9.851 -5.208 7.525 1.00 0.00 C ATOM 0 H LEU A 66 -9.419 -7.831 7.988 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.652 -8.244 6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.891 -7.026 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.145 -7.032 4.608 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.133 -4.924 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.289 -4.563 6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.426 -5.712 5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.364 -6.311 6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.250 -4.238 7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.093 -5.948 8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.769 -5.138 7.418 1.00 0.00 H new ATOM 1047 N ASN A 67 -8.878 -10.000 5.830 1.00 0.00 N ATOM 1048 CA ASN A 67 -8.256 -11.105 5.115 1.00 0.00 C ATOM 1049 C ASN A 67 -9.025 -12.379 5.383 1.00 0.00 C ATOM 1050 O ASN A 67 -9.056 -12.874 6.512 1.00 0.00 O ATOM 1051 CB ASN A 67 -6.807 -11.307 5.534 1.00 0.00 C ATOM 1052 CG ASN A 67 -6.278 -12.673 5.105 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -6.517 -13.109 3.987 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.562 -13.353 5.984 1.00 0.00 N ATOM 0 H ASN A 67 -8.336 -9.675 6.631 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.274 -10.862 4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.189 -10.524 5.095 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.725 -11.209 6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.190 -14.271 5.738 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.381 -12.960 6.908 1.00 0.00 H new ATOM 1061 N ASN A 68 -9.707 -12.860 4.363 1.00 0.00 N ATOM 1062 CA ASN A 68 -10.396 -14.131 4.373 1.00 0.00 C ATOM 1063 C ASN A 68 -10.017 -14.880 3.089 1.00 0.00 C ATOM 1064 O ASN A 68 -9.518 -14.268 2.140 1.00 0.00 O ATOM 1065 CB ASN A 68 -11.891 -13.876 4.543 1.00 0.00 C ATOM 1066 CG ASN A 68 -12.629 -13.751 3.229 1.00 0.00 C ATOM 1067 OD1 ASN A 68 -12.550 -12.767 2.502 1.00 0.00 O ATOM 1068 ND2 ASN A 68 -13.345 -14.804 2.919 1.00 0.00 N ATOM 0 H ASN A 68 -9.799 -12.361 3.478 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.104 -14.767 5.208 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.328 -14.690 5.121 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.034 -12.962 5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.865 -14.827 2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.382 -15.601 3.555 1.00 0.00 H new ATOM 1075 N ARG A 69 -10.300 -16.183 3.003 1.00 0.00 N ATOM 1076 CA ARG A 69 -9.944 -16.974 1.822 1.00 0.00 C ATOM 1077 C ARG A 69 -10.695 -16.522 0.564 1.00 0.00 C ATOM 1078 O ARG A 69 -10.111 -16.551 -0.511 1.00 0.00 O ATOM 1079 CB ARG A 69 -10.094 -18.483 2.091 1.00 0.00 C ATOM 1080 CG ARG A 69 -8.914 -18.995 2.936 1.00 0.00 C ATOM 1081 CD ARG A 69 -9.029 -20.487 3.273 1.00 0.00 C ATOM 1082 NE ARG A 69 -7.814 -20.970 3.958 1.00 0.00 N ATOM 1083 CZ ARG A 69 -7.722 -21.975 4.839 1.00 0.00 C ATOM 1084 NH1 ARG A 69 -8.808 -22.628 5.236 1.00 0.00 N ATOM 1085 NH2 ARG A 69 -6.541 -22.333 5.335 1.00 0.00 N ATOM 0 H ARG A 69 -10.774 -16.711 3.736 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.889 -16.790 1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.033 -18.675 2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.136 -19.025 1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.983 -18.820 2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.859 -18.421 3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.899 -20.654 3.908 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.187 -21.059 2.359 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.946 -20.483 3.735 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.723 -22.366 4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.727 -23.392 5.907 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.696 -21.841 5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.481 -23.099 6.005 1.00 0.00 H new ATOM 1099 N GLY A 70 -11.925 -16.020 0.667 1.00 0.00 N ATOM 1100 CA GLY A 70 -12.657 -15.466 -0.470 1.00 0.00 C ATOM 1101 C GLY A 70 -11.920 -14.269 -1.074 1.00 0.00 C ATOM 1102 O GLY A 70 -11.758 -14.190 -2.298 1.00 0.00 O ATOM 0 H GLY A 70 -12.443 -15.986 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.790 -16.236 -1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.653 -15.159 -0.150 1.00 0.00 H new ATOM 1106 N ALA A 71 -11.443 -13.352 -0.223 1.00 0.00 N ATOM 1107 CA ALA A 71 -10.617 -12.234 -0.651 1.00 0.00 C ATOM 1108 C ALA A 71 -9.309 -12.748 -1.257 1.00 0.00 C ATOM 1109 O ALA A 71 -8.921 -12.270 -2.321 1.00 0.00 O ATOM 1110 CB ALA A 71 -10.351 -11.276 0.518 1.00 0.00 C ATOM 0 H ALA A 71 -11.623 -13.371 0.781 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.152 -11.675 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.731 -10.447 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.298 -10.890 0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.834 -11.810 1.316 1.00 0.00 H new ATOM 1116 N GLN A 72 -8.649 -13.725 -0.622 1.00 0.00 N ATOM 1117 CA GLN A 72 -7.422 -14.326 -1.130 1.00 0.00 C ATOM 1118 C GLN A 72 -7.633 -14.895 -2.529 1.00 0.00 C ATOM 1119 O GLN A 72 -6.784 -14.672 -3.379 1.00 0.00 O ATOM 1120 CB GLN A 72 -6.883 -15.386 -0.156 1.00 0.00 C ATOM 1121 CG GLN A 72 -5.576 -16.063 -0.615 1.00 0.00 C ATOM 1122 CD GLN A 72 -5.753 -17.244 -1.582 1.00 0.00 C ATOM 1123 OE1 GLN A 72 -6.814 -17.852 -1.676 1.00 0.00 O ATOM 1124 NE2 GLN A 72 -4.706 -17.625 -2.295 1.00 0.00 N ATOM 0 H GLN A 72 -8.959 -14.120 0.266 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.666 -13.545 -1.208 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.715 -14.919 0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.645 -16.152 -0.013 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.947 -15.313 -1.095 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.039 -16.414 0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.824 -17.119 -2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.781 -18.425 -2.923 1.00 0.00 H new ATOM 1133 N GLN A 73 -8.747 -15.577 -2.796 1.00 0.00 N ATOM 1134 CA GLN A 73 -9.050 -16.179 -4.085 1.00 0.00 C ATOM 1135 C GLN A 73 -9.157 -15.111 -5.167 1.00 0.00 C ATOM 1136 O GLN A 73 -8.707 -15.305 -6.298 1.00 0.00 O ATOM 1137 CB GLN A 73 -10.386 -16.919 -3.967 1.00 0.00 C ATOM 1138 CG GLN A 73 -10.295 -18.215 -3.165 1.00 0.00 C ATOM 1139 CD GLN A 73 -9.955 -19.391 -4.068 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -8.848 -19.484 -4.592 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -10.883 -20.307 -4.267 1.00 0.00 N ATOM 0 H GLN A 73 -9.479 -15.727 -2.101 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.251 -16.867 -4.361 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.117 -16.261 -3.497 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.757 -17.145 -4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.535 -18.115 -2.390 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.243 -18.402 -2.660 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.796 -20.212 -3.823 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.687 -21.110 -4.865 1.00 0.00 H new ATOM 1150 N LYS A 74 -9.786 -13.979 -4.846 1.00 0.00 N ATOM 1151 CA LYS A 74 -9.867 -12.870 -5.778 1.00 0.00 C ATOM 1152 C LYS A 74 -8.478 -12.294 -6.021 1.00 0.00 C ATOM 1153 O LYS A 74 -8.093 -12.065 -7.164 1.00 0.00 O ATOM 1154 CB LYS A 74 -10.840 -11.816 -5.233 1.00 0.00 C ATOM 1155 CG LYS A 74 -10.992 -10.616 -6.172 1.00 0.00 C ATOM 1156 CD LYS A 74 -11.383 -11.072 -7.580 1.00 0.00 C ATOM 1157 CE LYS A 74 -11.685 -9.850 -8.419 1.00 0.00 C ATOM 1158 NZ LYS A 74 -12.238 -10.246 -9.722 1.00 0.00 N ATOM 0 H LYS A 74 -10.243 -13.813 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.249 -13.215 -6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.816 -12.275 -5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.489 -11.470 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.750 -9.937 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.056 -10.059 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.574 -11.648 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.254 -11.726 -7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.394 -9.208 -7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.775 -9.267 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.096 -9.477 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.755 -11.104 -10.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.255 -10.438 -9.624 1.00 0.00 H new ATOM 1172 N LEU A 75 -7.718 -12.077 -4.948 1.00 0.00 N ATOM 1173 CA LEU A 75 -6.343 -11.613 -5.032 1.00 0.00 C ATOM 1174 C LEU A 75 -5.523 -12.578 -5.900 1.00 0.00 C ATOM 1175 O LEU A 75 -4.682 -12.130 -6.673 1.00 0.00 O ATOM 1176 CB LEU A 75 -5.762 -11.476 -3.610 1.00 0.00 C ATOM 1177 CG LEU A 75 -4.984 -10.176 -3.356 1.00 0.00 C ATOM 1178 CD1 LEU A 75 -4.543 -10.140 -1.890 1.00 0.00 C ATOM 1179 CD2 LEU A 75 -3.788 -9.911 -4.275 1.00 0.00 C ATOM 0 H LEU A 75 -8.046 -12.220 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.303 -10.632 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.579 -11.541 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.101 -12.322 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.680 -9.372 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.989 -9.221 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.421 -10.176 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.904 -10.998 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.320 -8.966 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.064 -10.719 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.128 -9.859 -5.309 1.00 0.00 H new ATOM 1191 N ALA A 76 -5.776 -13.887 -5.792 1.00 0.00 N ATOM 1192 CA ALA A 76 -5.044 -14.948 -6.463 1.00 0.00 C ATOM 1193 C ALA A 76 -5.288 -14.875 -7.955 1.00 0.00 C ATOM 1194 O ALA A 76 -4.316 -14.906 -8.698 1.00 0.00 O ATOM 1195 CB ALA A 76 -5.417 -16.326 -5.902 1.00 0.00 C ATOM 0 H ALA A 76 -6.532 -14.243 -5.207 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.979 -14.807 -6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.852 -17.097 -6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.181 -16.362 -4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.484 -16.500 -6.043 1.00 0.00 H new ATOM 1201 N GLU A 77 -6.543 -14.745 -8.389 1.00 0.00 N ATOM 1202 CA GLU A 77 -6.901 -14.537 -9.789 1.00 0.00 C ATOM 1203 C GLU A 77 -6.135 -13.327 -10.323 1.00 0.00 C ATOM 1204 O GLU A 77 -5.497 -13.403 -11.370 1.00 0.00 O ATOM 1205 CB GLU A 77 -8.426 -14.296 -9.876 1.00 0.00 C ATOM 1206 CG GLU A 77 -8.917 -13.928 -11.287 1.00 0.00 C ATOM 1207 CD GLU A 77 -10.351 -13.390 -11.297 1.00 0.00 C ATOM 1208 OE1 GLU A 77 -10.618 -12.296 -10.749 1.00 0.00 O ATOM 1209 OE2 GLU A 77 -11.227 -14.029 -11.930 1.00 0.00 O ATOM 0 H GLU A 77 -7.350 -14.782 -7.766 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.641 -15.409 -10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.946 -15.194 -9.543 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.698 -13.497 -9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.250 -13.179 -11.715 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.860 -14.808 -11.927 1.00 0.00 H new ATOM 1216 N ALA A 78 -6.174 -12.217 -9.586 1.00 0.00 N ATOM 1217 CA ALA A 78 -5.596 -10.960 -10.022 1.00 0.00 C ATOM 1218 C ALA A 78 -4.085 -11.118 -10.213 1.00 0.00 C ATOM 1219 O ALA A 78 -3.551 -10.778 -11.274 1.00 0.00 O ATOM 1220 CB ALA A 78 -5.946 -9.871 -9.007 1.00 0.00 C ATOM 0 H ALA A 78 -6.611 -12.171 -8.666 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.009 -10.664 -10.986 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.515 -8.923 -9.328 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.029 -9.772 -8.938 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.544 -10.141 -8.031 1.00 0.00 H new ATOM 1226 N LEU A 79 -3.397 -11.653 -9.199 1.00 0.00 N ATOM 1227 CA LEU A 79 -1.965 -11.914 -9.225 1.00 0.00 C ATOM 1228 C LEU A 79 -1.617 -12.911 -10.320 1.00 0.00 C ATOM 1229 O LEU A 79 -0.591 -12.753 -10.973 1.00 0.00 O ATOM 1230 CB LEU A 79 -1.475 -12.441 -7.860 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.486 -11.465 -7.211 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -0.310 -11.793 -5.731 1.00 0.00 C ATOM 1233 CD2 LEU A 79 0.879 -11.491 -7.913 1.00 0.00 C ATOM 0 H LEU A 79 -3.837 -11.921 -8.319 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.461 -10.971 -9.436 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.328 -12.592 -7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.998 -13.412 -7.992 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.901 -10.462 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.395 -11.092 -5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.272 -11.714 -5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.073 -12.808 -5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.553 -10.787 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.299 -12.495 -7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.756 -11.210 -8.959 1.00 0.00 H new ATOM 1245 N SER A 80 -2.464 -13.914 -10.533 1.00 0.00 N ATOM 1246 CA SER A 80 -2.271 -14.925 -11.560 1.00 0.00 C ATOM 1247 C SER A 80 -2.359 -14.294 -12.950 1.00 0.00 C ATOM 1248 O SER A 80 -1.533 -14.600 -13.810 1.00 0.00 O ATOM 1249 CB SER A 80 -3.298 -16.039 -11.361 1.00 0.00 C ATOM 1250 OG SER A 80 -3.068 -16.702 -10.127 1.00 0.00 O ATOM 0 H SER A 80 -3.315 -14.046 -9.987 1.00 0.00 H new ATOM 0 HA SER A 80 -1.276 -15.362 -11.476 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.305 -15.622 -11.376 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.236 -16.752 -12.183 1.00 0.00 H new ATOM 0 HG SER A 80 -3.468 -16.184 -9.398 1.00 0.00 H new ATOM 1256 N MET A 81 -3.280 -13.351 -13.155 1.00 0.00 N ATOM 1257 CA MET A 81 -3.435 -12.645 -14.421 1.00 0.00 C ATOM 1258 C MET A 81 -2.281 -11.654 -14.623 1.00 0.00 C ATOM 1259 O MET A 81 -1.897 -11.367 -15.758 1.00 0.00 O ATOM 1260 CB MET A 81 -4.821 -11.983 -14.450 1.00 0.00 C ATOM 1261 CG MET A 81 -5.177 -11.364 -15.805 1.00 0.00 C ATOM 1262 SD MET A 81 -5.222 -12.537 -17.189 1.00 0.00 S ATOM 1263 CE MET A 81 -5.922 -11.463 -18.468 1.00 0.00 C ATOM 0 H MET A 81 -3.943 -13.056 -12.439 1.00 0.00 H new ATOM 0 HA MET A 81 -3.384 -13.338 -15.261 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.575 -12.726 -14.190 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.860 -11.208 -13.684 1.00 0.00 H new ATOM 0 HG2 MET A 81 -6.151 -10.882 -15.724 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.453 -10.582 -16.033 1.00 0.00 H new ATOM 0 HE1 MET A 81 -6.022 -12.022 -19.398 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.903 -11.110 -18.150 1.00 0.00 H new ATOM 0 HE3 MET A 81 -5.263 -10.609 -18.627 1.00 0.00 H new ATOM 1273 N LEU A 82 -1.691 -11.137 -13.539 1.00 0.00 N ATOM 1274 CA LEU A 82 -0.500 -10.288 -13.586 1.00 0.00 C ATOM 1275 C LEU A 82 0.695 -11.145 -14.004 1.00 0.00 C ATOM 1276 O LEU A 82 1.330 -10.863 -15.021 1.00 0.00 O ATOM 1277 CB LEU A 82 -0.318 -9.584 -12.226 1.00 0.00 C ATOM 1278 CG LEU A 82 1.104 -9.244 -11.731 1.00 0.00 C ATOM 1279 CD1 LEU A 82 1.895 -8.318 -12.657 1.00 0.00 C ATOM 1280 CD2 LEU A 82 0.987 -8.564 -10.363 1.00 0.00 C ATOM 0 H LEU A 82 -2.034 -11.300 -12.592 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.599 -9.496 -14.328 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.883 -8.652 -12.262 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.787 -10.212 -11.468 1.00 0.00 H new ATOM 0 HG LEU A 82 1.650 -10.186 -11.693 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.881 -8.133 -12.231 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.004 -8.788 -13.634 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.364 -7.372 -12.766 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.982 -8.315 -9.994 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.397 -7.653 -10.459 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.499 -9.240 -9.661 1.00 0.00 H new ATOM 1292 N LYS A 83 0.998 -12.185 -13.227 1.00 0.00 N ATOM 1293 CA LYS A 83 2.159 -13.051 -13.394 1.00 0.00 C ATOM 1294 C LYS A 83 2.074 -13.858 -14.690 1.00 0.00 C ATOM 1295 O LYS A 83 3.108 -14.221 -15.242 1.00 0.00 O ATOM 1296 CB LYS A 83 2.212 -13.979 -12.169 1.00 0.00 C ATOM 1297 CG LYS A 83 3.495 -14.809 -12.025 1.00 0.00 C ATOM 1298 CD LYS A 83 4.558 -14.203 -11.101 1.00 0.00 C ATOM 1299 CE LYS A 83 5.138 -12.891 -11.631 1.00 0.00 C ATOM 1300 NZ LYS A 83 6.394 -12.544 -10.939 1.00 0.00 N ATOM 0 H LYS A 83 0.417 -12.456 -12.434 1.00 0.00 H new ATOM 0 HA LYS A 83 3.068 -12.454 -13.465 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.089 -13.374 -11.271 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.362 -14.660 -12.214 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.230 -15.798 -11.650 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.932 -14.950 -13.014 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.120 -14.028 -10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.366 -14.922 -10.966 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.322 -12.978 -12.702 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.412 -12.089 -11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.728 -11.617 -11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.226 -12.505 -9.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.114 -13.266 -11.144 1.00 0.00 H new ATOM 1314 N GLY A 84 0.868 -14.160 -15.165 1.00 0.00 N ATOM 1315 CA GLY A 84 0.629 -14.987 -16.334 1.00 0.00 C ATOM 1316 C GLY A 84 0.750 -16.479 -16.050 1.00 0.00 C ATOM 1317 O GLY A 84 0.763 -17.272 -16.987 1.00 0.00 O ATOM 0 H GLY A 84 0.008 -13.824 -14.731 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.368 -14.777 -16.721 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.338 -14.714 -17.115 1.00 0.00 H new ATOM 1321 N SER A 85 0.897 -16.901 -14.796 1.00 0.00 N ATOM 1322 CA SER A 85 0.901 -18.302 -14.387 1.00 0.00 C ATOM 1323 C SER A 85 0.160 -18.430 -13.054 1.00 0.00 C ATOM 1324 O SER A 85 -0.220 -17.411 -12.469 1.00 0.00 O ATOM 1325 CB SER A 85 2.349 -18.789 -14.309 1.00 0.00 C ATOM 1326 OG SER A 85 2.994 -18.622 -15.560 1.00 0.00 O ATOM 0 H SER A 85 1.020 -16.258 -14.014 1.00 0.00 H new ATOM 0 HA SER A 85 0.383 -18.931 -15.111 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.885 -18.234 -13.539 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.371 -19.839 -14.018 1.00 0.00 H new ATOM 0 HG SER A 85 3.920 -18.936 -15.495 1.00 0.00 H new ATOM 1332 N THR A 86 -0.059 -19.653 -12.565 1.00 0.00 N ATOM 1333 CA THR A 86 -0.641 -19.859 -11.244 1.00 0.00 C ATOM 1334 C THR A 86 0.330 -19.317 -10.194 1.00 0.00 C ATOM 1335 O THR A 86 1.456 -19.807 -10.078 1.00 0.00 O ATOM 1336 CB THR A 86 -0.971 -21.346 -10.989 1.00 0.00 C ATOM 1337 OG1 THR A 86 -0.213 -22.237 -11.794 1.00 0.00 O ATOM 1338 CG2 THR A 86 -2.450 -21.616 -11.249 1.00 0.00 C ATOM 0 H THR A 86 0.159 -20.514 -13.067 1.00 0.00 H new ATOM 0 HA THR A 86 -1.587 -19.320 -11.181 1.00 0.00 H new ATOM 0 HB THR A 86 -0.714 -21.529 -9.946 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.465 -23.161 -11.586 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.666 -22.668 -11.065 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.055 -21.000 -10.584 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.688 -21.373 -12.285 1.00 0.00 H new ATOM 1346 N VAL A 87 -0.062 -18.273 -9.468 1.00 0.00 N ATOM 1347 CA VAL A 87 0.727 -17.758 -8.355 1.00 0.00 C ATOM 1348 C VAL A 87 0.327 -18.554 -7.116 1.00 0.00 C ATOM 1349 O VAL A 87 -0.864 -18.796 -6.897 1.00 0.00 O ATOM 1350 CB VAL A 87 0.475 -16.248 -8.186 1.00 0.00 C ATOM 1351 CG1 VAL A 87 1.166 -15.698 -6.932 1.00 0.00 C ATOM 1352 CG2 VAL A 87 1.031 -15.487 -9.395 1.00 0.00 C ATOM 0 H VAL A 87 -0.930 -17.764 -9.634 1.00 0.00 H new ATOM 0 HA VAL A 87 1.796 -17.875 -8.530 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.603 -16.110 -8.097 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.966 -14.630 -6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.783 -16.212 -6.050 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.241 -15.861 -7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.849 -14.420 -9.268 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.103 -15.665 -9.475 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.537 -15.834 -10.302 1.00 0.00 H new ATOM 1362 N GLU A 88 1.305 -18.955 -6.304 1.00 0.00 N ATOM 1363 CA GLU A 88 1.048 -19.599 -5.026 1.00 0.00 C ATOM 1364 C GLU A 88 0.898 -18.406 -4.084 1.00 0.00 C ATOM 1365 O GLU A 88 1.878 -17.918 -3.514 1.00 0.00 O ATOM 1366 CB GLU A 88 2.235 -20.500 -4.646 1.00 0.00 C ATOM 1367 CG GLU A 88 2.512 -21.662 -5.612 1.00 0.00 C ATOM 1368 CD GLU A 88 1.494 -22.797 -5.539 1.00 0.00 C ATOM 1369 OE1 GLU A 88 0.614 -22.784 -4.650 1.00 0.00 O ATOM 1370 OE2 GLU A 88 1.642 -23.761 -6.327 1.00 0.00 O ATOM 0 H GLU A 88 2.296 -18.840 -6.518 1.00 0.00 H new ATOM 0 HA GLU A 88 0.176 -20.253 -5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.131 -19.883 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.055 -20.910 -3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.534 -21.275 -6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.503 -22.065 -5.403 1.00 0.00 H new ATOM 1377 N LEU A 89 -0.311 -17.852 -4.005 1.00 0.00 N ATOM 1378 CA LEU A 89 -0.569 -16.633 -3.255 1.00 0.00 C ATOM 1379 C LEU A 89 -0.898 -16.996 -1.816 1.00 0.00 C ATOM 1380 O LEU A 89 -2.017 -17.428 -1.533 1.00 0.00 O ATOM 1381 CB LEU A 89 -1.661 -15.803 -3.934 1.00 0.00 C ATOM 1382 CG LEU A 89 -2.156 -14.618 -3.081 1.00 0.00 C ATOM 1383 CD1 LEU A 89 -1.118 -13.685 -2.462 1.00 0.00 C ATOM 1384 CD2 LEU A 89 -3.016 -13.727 -3.957 1.00 0.00 C ATOM 0 H LEU A 89 -1.137 -18.239 -4.461 1.00 0.00 H new ATOM 0 HA LEU A 89 0.319 -16.002 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.280 -15.423 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.506 -16.451 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.655 -15.112 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.624 -12.904 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.467 -14.254 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.521 -13.230 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.377 -12.881 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.424 -13.362 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.866 -14.297 -4.333 1.00 0.00 H new ATOM 1396 N THR A 90 0.053 -16.820 -0.906 1.00 0.00 N ATOM 1397 CA THR A 90 -0.182 -17.014 0.511 1.00 0.00 C ATOM 1398 C THR A 90 -0.465 -15.639 1.109 1.00 0.00 C ATOM 1399 O THR A 90 -0.027 -14.618 0.581 1.00 0.00 O ATOM 1400 CB THR A 90 1.061 -17.661 1.135 1.00 0.00 C ATOM 1401 OG1 THR A 90 1.523 -18.724 0.318 1.00 0.00 O ATOM 1402 CG2 THR A 90 0.816 -18.235 2.532 1.00 0.00 C ATOM 0 H THR A 90 1.007 -16.539 -1.134 1.00 0.00 H new ATOM 0 HA THR A 90 -1.028 -17.673 0.703 1.00 0.00 H new ATOM 0 HB THR A 90 1.796 -16.860 1.215 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.317 -19.128 0.725 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.738 -18.676 2.911 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.493 -17.438 3.202 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.042 -19.001 2.480 1.00 0.00 H new ATOM 1410 N ILE A 91 -1.172 -15.602 2.227 1.00 0.00 N ATOM 1411 CA ILE A 91 -1.424 -14.409 3.010 1.00 0.00 C ATOM 1412 C ILE A 91 -0.813 -14.797 4.354 1.00 0.00 C ATOM 1413 O ILE A 91 -1.333 -15.693 5.028 1.00 0.00 O ATOM 1414 CB ILE A 91 -2.921 -14.028 3.113 1.00 0.00 C ATOM 1415 CG1 ILE A 91 -3.747 -14.097 1.808 1.00 0.00 C ATOM 1416 CG2 ILE A 91 -3.004 -12.629 3.753 1.00 0.00 C ATOM 1417 CD1 ILE A 91 -3.587 -12.932 0.826 1.00 0.00 C ATOM 0 H ILE A 91 -1.602 -16.436 2.627 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.998 -13.508 2.569 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.392 -14.795 3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.484 -15.018 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -4.801 -14.172 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.049 -12.330 3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.550 -12.655 4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.472 -11.911 3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.218 -13.102 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.883 -12.003 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.546 -12.861 0.512 1.00 0.00 H new ATOM 1429 N VAL A 92 0.324 -14.215 4.709 1.00 0.00 N ATOM 1430 CA VAL A 92 1.005 -14.513 5.965 1.00 0.00 C ATOM 1431 C VAL A 92 0.694 -13.344 6.895 1.00 0.00 C ATOM 1432 O VAL A 92 0.441 -12.234 6.422 1.00 0.00 O ATOM 1433 CB VAL A 92 2.515 -14.773 5.743 1.00 0.00 C ATOM 1434 CG1 VAL A 92 2.766 -15.812 4.638 1.00 0.00 C ATOM 1435 CG2 VAL A 92 3.328 -13.534 5.363 1.00 0.00 C ATOM 0 H VAL A 92 0.803 -13.521 4.134 1.00 0.00 H new ATOM 0 HA VAL A 92 0.653 -15.439 6.420 1.00 0.00 H new ATOM 0 HB VAL A 92 2.847 -15.130 6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.839 -15.962 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.296 -16.756 4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.342 -15.455 3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.373 -13.812 5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.941 -13.116 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.250 -12.790 6.156 1.00 0.00 H new ATOM 1445 N GLU A 93 0.651 -13.574 8.200 1.00 0.00 N ATOM 1446 CA GLU A 93 0.417 -12.489 9.141 1.00 0.00 C ATOM 1447 C GLU A 93 1.734 -11.747 9.367 1.00 0.00 C ATOM 1448 O GLU A 93 2.797 -12.369 9.452 1.00 0.00 O ATOM 1449 CB GLU A 93 -0.162 -13.038 10.459 1.00 0.00 C ATOM 1450 CG GLU A 93 0.902 -13.655 11.385 1.00 0.00 C ATOM 1451 CD GLU A 93 0.323 -14.582 12.443 1.00 0.00 C ATOM 1452 OE1 GLU A 93 -0.631 -14.194 13.145 1.00 0.00 O ATOM 1453 OE2 GLU A 93 0.838 -15.720 12.557 1.00 0.00 O ATOM 0 H GLU A 93 0.774 -14.492 8.627 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.316 -11.790 8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.669 -12.231 10.988 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -0.915 -13.792 10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.620 -14.210 10.781 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.452 -12.853 11.878 1.00 0.00 H new ATOM 1460 N ASP A 94 1.690 -10.421 9.385 1.00 0.00 N ATOM 1461 CA ASP A 94 2.825 -9.594 9.728 1.00 0.00 C ATOM 1462 C ASP A 94 2.389 -8.394 10.547 1.00 0.00 C ATOM 1463 O ASP A 94 1.996 -7.356 10.021 1.00 0.00 O ATOM 1464 CB ASP A 94 3.656 -9.135 8.545 1.00 0.00 C ATOM 1465 CG ASP A 94 4.861 -8.376 9.099 1.00 0.00 C ATOM 1466 OD1 ASP A 94 5.370 -8.757 10.180 1.00 0.00 O ATOM 1467 OD2 ASP A 94 5.303 -7.414 8.439 1.00 0.00 O ATOM 0 H ASP A 94 0.850 -9.889 9.158 1.00 0.00 H new ATOM 0 HA ASP A 94 3.475 -10.240 10.319 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.981 -9.989 7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.068 -8.494 7.888 1.00 0.00 H new ATOM 1472 N ASP A 95 2.407 -8.546 11.854 1.00 0.00 N ATOM 1473 CA ASP A 95 2.160 -7.497 12.832 1.00 0.00 C ATOM 1474 C ASP A 95 3.303 -6.467 12.888 1.00 0.00 C ATOM 1475 O ASP A 95 3.095 -5.347 13.354 1.00 0.00 O ATOM 1476 CB ASP A 95 2.036 -8.187 14.200 1.00 0.00 C ATOM 1477 CG ASP A 95 3.337 -8.893 14.609 1.00 0.00 C ATOM 1478 OD1 ASP A 95 3.777 -9.820 13.889 1.00 0.00 O ATOM 1479 OD2 ASP A 95 3.920 -8.510 15.647 1.00 0.00 O ATOM 0 H ASP A 95 2.604 -9.447 12.289 1.00 0.00 H new ATOM 0 HA ASP A 95 1.257 -6.953 12.556 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.772 -7.448 14.956 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.224 -8.914 14.167 1.00 0.00 H new ATOM 1522 N VAL A 99 8.462 -3.609 7.221 1.00 0.00 N ATOM 1523 CA VAL A 99 8.296 -3.236 5.816 1.00 0.00 C ATOM 1524 C VAL A 99 7.046 -2.351 5.745 1.00 0.00 C ATOM 1525 O VAL A 99 6.232 -2.387 6.672 1.00 0.00 O ATOM 1526 CB VAL A 99 8.165 -4.508 4.942 1.00 0.00 C ATOM 1527 CG1 VAL A 99 8.147 -4.189 3.437 1.00 0.00 C ATOM 1528 CG2 VAL A 99 9.292 -5.518 5.207 1.00 0.00 C ATOM 0 HA VAL A 99 9.158 -2.689 5.433 1.00 0.00 H new ATOM 0 HB VAL A 99 7.210 -4.948 5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.054 -5.115 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.301 -3.539 3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 99 9.074 -3.686 3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.155 -6.392 4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.254 -5.056 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.268 -5.824 6.253 1.00 0.00 H new ATOM 1538 N ARG A 100 6.857 -1.580 4.669 1.00 0.00 N ATOM 1539 CA ARG A 100 5.650 -0.794 4.442 1.00 0.00 C ATOM 1540 C ARG A 100 4.737 -1.521 3.455 1.00 0.00 C ATOM 1541 O ARG A 100 5.222 -2.066 2.464 1.00 0.00 O ATOM 1542 CB ARG A 100 5.991 0.563 3.795 1.00 0.00 C ATOM 1543 CG ARG A 100 6.905 1.538 4.556 1.00 0.00 C ATOM 1544 CD ARG A 100 8.401 1.277 4.313 1.00 0.00 C ATOM 1545 NE ARG A 100 9.211 2.471 4.610 1.00 0.00 N ATOM 1546 CZ ARG A 100 10.424 2.768 4.126 1.00 0.00 C ATOM 1547 NH1 ARG A 100 11.135 1.876 3.446 1.00 0.00 N ATOM 1548 NH2 ARG A 100 10.933 3.976 4.323 1.00 0.00 N ATOM 0 H ARG A 100 7.549 -1.486 3.925 1.00 0.00 H new ATOM 0 HA ARG A 100 5.170 -0.651 5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.455 0.361 2.830 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.052 1.079 3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.667 2.559 4.256 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.698 1.463 5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.733 0.446 4.936 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.556 0.979 3.276 1.00 0.00 H new ATOM 0 HE ARG A 100 8.803 3.147 5.256 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.759 0.942 3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.057 2.125 3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.401 4.675 4.841 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.856 4.206 3.956 1.00 0.00 H new ATOM 1562 N THR A 101 3.437 -1.563 3.728 1.00 0.00 N ATOM 1563 CA THR A 101 2.431 -2.085 2.806 1.00 0.00 C ATOM 1564 C THR A 101 2.221 -0.974 1.745 1.00 0.00 C ATOM 1565 O THR A 101 2.735 0.129 1.944 1.00 0.00 O ATOM 1566 CB THR A 101 1.155 -2.402 3.604 1.00 0.00 C ATOM 1567 OG1 THR A 101 0.534 -1.212 4.052 1.00 0.00 O ATOM 1568 CG2 THR A 101 1.407 -3.298 4.824 1.00 0.00 C ATOM 0 H THR A 101 3.045 -1.231 4.609 1.00 0.00 H new ATOM 0 HA THR A 101 2.726 -3.010 2.310 1.00 0.00 H new ATOM 0 HB THR A 101 0.508 -2.942 2.913 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.386 -1.177 3.717 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.465 -3.482 5.341 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.833 -4.247 4.497 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.102 -2.803 5.502 1.00 0.00 H new ATOM 1576 N PRO A 102 1.448 -1.135 0.653 1.00 0.00 N ATOM 1577 CA PRO A 102 1.276 -0.043 -0.299 1.00 0.00 C ATOM 1578 C PRO A 102 0.484 1.120 0.328 1.00 0.00 C ATOM 1579 O PRO A 102 0.648 2.268 -0.084 1.00 0.00 O ATOM 1580 CB PRO A 102 0.643 -0.658 -1.543 1.00 0.00 C ATOM 1581 CG PRO A 102 -0.083 -1.885 -1.026 1.00 0.00 C ATOM 1582 CD PRO A 102 0.688 -2.293 0.235 1.00 0.00 C ATOM 0 HA PRO A 102 2.221 0.419 -0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.044 0.037 -2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.398 -0.925 -2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.125 -1.661 -0.798 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.084 -2.685 -1.766 1.00 0.00 H new ATOM 0 HD2 PRO A 102 0.003 -2.610 1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.349 -3.135 0.029 1.00 0.00 H new ATOM 1590 N LEU A 103 -0.342 0.861 1.354 1.00 0.00 N ATOM 1591 CA LEU A 103 -1.032 1.911 2.106 1.00 0.00 C ATOM 1592 C LEU A 103 0.013 2.668 2.924 1.00 0.00 C ATOM 1593 O LEU A 103 0.092 3.890 2.848 1.00 0.00 O ATOM 1594 CB LEU A 103 -2.113 1.295 3.012 1.00 0.00 C ATOM 1595 CG LEU A 103 -3.208 2.252 3.523 1.00 0.00 C ATOM 1596 CD1 LEU A 103 -4.260 1.460 4.312 1.00 0.00 C ATOM 1597 CD2 LEU A 103 -2.691 3.364 4.436 1.00 0.00 C ATOM 0 H LEU A 103 -0.548 -0.083 1.682 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.535 2.601 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.596 0.485 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.620 0.848 3.875 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.624 2.721 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.033 2.139 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.711 0.708 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.784 0.969 5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.524 3.993 4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.216 2.924 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.964 3.970 3.896 1.00 0.00 H new ATOM 1609 N GLU A 104 0.839 1.945 3.682 1.00 0.00 N ATOM 1610 CA GLU A 104 1.901 2.546 4.475 1.00 0.00 C ATOM 1611 C GLU A 104 2.913 3.273 3.579 1.00 0.00 C ATOM 1612 O GLU A 104 3.484 4.266 4.021 1.00 0.00 O ATOM 1613 CB GLU A 104 2.563 1.473 5.344 1.00 0.00 C ATOM 1614 CG GLU A 104 1.750 1.167 6.610 1.00 0.00 C ATOM 1615 CD GLU A 104 2.514 0.230 7.547 1.00 0.00 C ATOM 1616 OE1 GLU A 104 2.450 -1.005 7.363 1.00 0.00 O ATOM 1617 OE2 GLU A 104 3.203 0.730 8.470 1.00 0.00 O ATOM 0 H GLU A 104 0.787 0.929 3.760 1.00 0.00 H new ATOM 0 HA GLU A 104 1.474 3.300 5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.682 0.559 4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.562 1.803 5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.519 2.097 7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.799 0.712 6.333 1.00 0.00 H new ATOM 1624 N TRP A 105 3.114 2.837 2.329 1.00 0.00 N ATOM 1625 CA TRP A 105 3.944 3.519 1.341 1.00 0.00 C ATOM 1626 C TRP A 105 3.267 4.814 0.916 1.00 0.00 C ATOM 1627 O TRP A 105 3.911 5.857 0.899 1.00 0.00 O ATOM 1628 CB TRP A 105 4.202 2.645 0.105 1.00 0.00 C ATOM 1629 CG TRP A 105 5.385 1.739 0.205 1.00 0.00 C ATOM 1630 CD1 TRP A 105 5.387 0.390 0.122 1.00 0.00 C ATOM 1631 CD2 TRP A 105 6.777 2.127 0.354 1.00 0.00 C ATOM 1632 NE1 TRP A 105 6.679 -0.082 0.221 1.00 0.00 N ATOM 1633 CE2 TRP A 105 7.579 0.950 0.400 1.00 0.00 C ATOM 1634 CE3 TRP A 105 7.436 3.368 0.440 1.00 0.00 C ATOM 1635 CZ2 TRP A 105 8.969 1.009 0.579 1.00 0.00 C ATOM 1636 CZ3 TRP A 105 8.830 3.443 0.585 1.00 0.00 C ATOM 1637 CH2 TRP A 105 9.594 2.266 0.673 1.00 0.00 C ATOM 0 H TRP A 105 2.692 1.979 1.973 1.00 0.00 H new ATOM 0 HA TRP A 105 4.907 3.730 1.805 1.00 0.00 H new ATOM 0 HB2 TRP A 105 3.315 2.040 -0.084 1.00 0.00 H new ATOM 0 HB3 TRP A 105 4.334 3.296 -0.760 1.00 0.00 H new ATOM 0 HD1 TRP A 105 4.509 -0.226 -0.003 1.00 0.00 H new ATOM 0 HE1 TRP A 105 6.937 -1.067 0.169 1.00 0.00 H new ATOM 0 HE3 TRP A 105 6.858 4.279 0.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 9.552 0.102 0.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 9.317 4.406 0.629 1.00 0.00 H new ATOM 0 HH2 TRP A 105 10.663 2.327 0.813 1.00 0.00 H new ATOM 1648 N ARG A 106 1.968 4.792 0.607 1.00 0.00 N ATOM 1649 CA ARG A 106 1.207 6.004 0.306 1.00 0.00 C ATOM 1650 C ARG A 106 1.339 7.008 1.450 1.00 0.00 C ATOM 1651 O ARG A 106 1.520 8.195 1.204 1.00 0.00 O ATOM 1652 CB ARG A 106 -0.249 5.612 0.029 1.00 0.00 C ATOM 1653 CG ARG A 106 -1.094 6.747 -0.555 1.00 0.00 C ATOM 1654 CD ARG A 106 -2.512 6.206 -0.779 1.00 0.00 C ATOM 1655 NE ARG A 106 -3.438 7.211 -1.325 1.00 0.00 N ATOM 1656 CZ ARG A 106 -4.007 8.209 -0.643 1.00 0.00 C ATOM 1657 NH1 ARG A 106 -3.663 8.443 0.619 1.00 0.00 N ATOM 1658 NH2 ARG A 106 -4.934 8.954 -1.226 1.00 0.00 N ATOM 0 H ARG A 106 1.417 3.935 0.559 1.00 0.00 H new ATOM 0 HA ARG A 106 1.601 6.495 -0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.263 4.769 -0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.707 5.272 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.113 7.599 0.125 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.666 7.098 -1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.466 5.356 -1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.906 5.835 0.167 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.667 7.139 -2.316 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.961 7.859 1.073 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.101 9.207 1.134 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.209 8.764 -2.190 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.373 9.718 -0.711 1.00 0.00 H new ATOM 1672 N GLN A 107 1.279 6.537 2.695 1.00 0.00 N ATOM 1673 CA GLN A 107 1.504 7.383 3.855 1.00 0.00 C ATOM 1674 C GLN A 107 2.971 7.814 3.933 1.00 0.00 C ATOM 1675 O GLN A 107 3.239 8.955 4.290 1.00 0.00 O ATOM 1676 CB GLN A 107 1.027 6.667 5.134 1.00 0.00 C ATOM 1677 CG GLN A 107 1.146 7.513 6.416 1.00 0.00 C ATOM 1678 CD GLN A 107 0.365 8.832 6.394 1.00 0.00 C ATOM 1679 OE1 GLN A 107 -0.496 9.067 5.550 1.00 0.00 O ATOM 1680 NE2 GLN A 107 0.641 9.726 7.327 1.00 0.00 N ATOM 0 H GLN A 107 1.074 5.564 2.922 1.00 0.00 H new ATOM 0 HA GLN A 107 0.915 8.295 3.757 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.014 6.370 5.004 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.606 5.752 5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.800 6.917 7.261 1.00 0.00 H new ATOM 0 HG3 GLN A 107 2.199 7.734 6.592 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.356 9.529 8.027 1.00 0.00 H new ATOM 0 HE22 GLN A 107 0.139 10.613 7.347 1.00 0.00 H new ATOM 1689 N ALA A 108 3.924 6.948 3.586 1.00 0.00 N ATOM 1690 CA ALA A 108 5.345 7.237 3.688 1.00 0.00 C ATOM 1691 C ALA A 108 5.751 8.320 2.700 1.00 0.00 C ATOM 1692 O ALA A 108 6.499 9.209 3.088 1.00 0.00 O ATOM 1693 CB ALA A 108 6.199 5.984 3.443 1.00 0.00 C ATOM 0 H ALA A 108 3.723 6.016 3.222 1.00 0.00 H new ATOM 0 HA ALA A 108 5.524 7.587 4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.255 6.241 3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.950 5.224 4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.999 5.597 2.444 1.00 0.00 H new ATOM 1699 N ILE A 109 5.289 8.265 1.446 1.00 0.00 N ATOM 1700 CA ILE A 109 5.652 9.273 0.447 1.00 0.00 C ATOM 1701 C ILE A 109 4.977 10.614 0.806 1.00 0.00 C ATOM 1702 O ILE A 109 5.496 11.676 0.463 1.00 0.00 O ATOM 1703 CB ILE A 109 5.391 8.773 -1.001 1.00 0.00 C ATOM 1704 CG1 ILE A 109 6.473 7.791 -1.514 1.00 0.00 C ATOM 1705 CG2 ILE A 109 5.439 9.901 -2.031 1.00 0.00 C ATOM 1706 CD1 ILE A 109 6.286 6.372 -1.020 1.00 0.00 C ATOM 0 H ILE A 109 4.665 7.536 1.101 1.00 0.00 H new ATOM 0 HA ILE A 109 6.727 9.451 0.469 1.00 0.00 H new ATOM 0 HB ILE A 109 4.409 8.307 -0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.465 7.792 -2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.454 8.149 -1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.250 9.495 -3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.678 10.644 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.423 10.370 -2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.080 5.740 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.324 6.358 0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.320 5.995 -1.354 1.00 0.00 H new ATOM 1718 N TYR A 110 3.845 10.596 1.519 1.00 0.00 N ATOM 1719 CA TYR A 110 3.214 11.814 2.011 1.00 0.00 C ATOM 1720 C TYR A 110 4.070 12.379 3.139 1.00 0.00 C ATOM 1721 O TYR A 110 4.492 13.534 3.096 1.00 0.00 O ATOM 1722 CB TYR A 110 1.782 11.521 2.478 1.00 0.00 C ATOM 1723 CG TYR A 110 1.067 12.680 3.154 1.00 0.00 C ATOM 1724 CD1 TYR A 110 1.198 13.992 2.657 1.00 0.00 C ATOM 1725 CD2 TYR A 110 0.265 12.443 4.288 1.00 0.00 C ATOM 1726 CE1 TYR A 110 0.502 15.054 3.256 1.00 0.00 C ATOM 1727 CE2 TYR A 110 -0.451 13.499 4.885 1.00 0.00 C ATOM 1728 CZ TYR A 110 -0.338 14.809 4.363 1.00 0.00 C ATOM 1729 OH TYR A 110 -1.018 15.846 4.920 1.00 0.00 O ATOM 0 H TYR A 110 3.348 9.741 1.767 1.00 0.00 H new ATOM 0 HA TYR A 110 3.145 12.554 1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.194 11.206 1.616 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.809 10.679 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.839 14.182 1.809 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.199 11.447 4.701 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.609 16.057 2.870 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.084 13.309 5.739 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.555 15.519 5.672 1.00 0.00 H new