USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 722 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 40 HIS : no HE2:sc= -16.2! C(o=-29!,f=-37!) USER MOD Set 1.2: A 60 MET CE :methyl -149:sc= -13! (180deg=-7.49!) USER MOD Single : A 21 ASN : amide:sc= -1.03 K(o=-1,f=-4.4!) USER MOD Single : A 22 TYR OH : rot 30:sc= -0.128 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0.0092) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0764 X(o=-0.076,f=-0.34) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 150:sc= -0.572 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.458 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 70 MET CE :methyl -159:sc= -2.17 (180deg=-2.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -135:sc= 0.415 USER MOD Single : A 76 HIS : no HD1:sc= -9.92! C(o=-9.9!,f=-12!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -2.63 K(o=-2.6,f=-3.2!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 43:sc= 1.25 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -7.62! K(o=-7.6!,f=-2.1) USER MOD Single : A 98 SER OG : rot -140:sc= -0.214 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.473 K(o=-0.47,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 263 N ASN A 21 -0.116 6.051 -5.954 1.00 0.00 N ATOM 264 CA ASN A 21 -0.618 7.303 -5.414 1.00 0.00 C ATOM 265 C ASN A 21 -0.442 7.305 -3.895 1.00 0.00 C ATOM 266 O ASN A 21 0.279 8.140 -3.351 1.00 0.00 O ATOM 267 CB ASN A 21 -2.107 7.477 -5.718 1.00 0.00 C ATOM 268 CG ASN A 21 -2.455 8.951 -5.933 1.00 0.00 C ATOM 269 OD1 ASN A 21 -1.596 9.797 -6.123 1.00 0.00 O ATOM 270 ND2 ASN A 21 -3.759 9.211 -5.893 1.00 0.00 N ATOM 0 HA ASN A 21 -0.059 8.117 -5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.369 6.904 -6.608 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.699 7.076 -4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.093 10.166 -6.026 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.425 8.456 -5.730 1.00 0.00 H new ATOM 277 N TYR A 22 -1.112 6.360 -3.252 1.00 0.00 N ATOM 278 CA TYR A 22 -1.039 6.242 -1.806 1.00 0.00 C ATOM 279 C TYR A 22 -1.449 4.840 -1.348 1.00 0.00 C ATOM 280 O TYR A 22 -2.499 4.337 -1.744 1.00 0.00 O ATOM 281 CB TYR A 22 -2.037 7.259 -1.249 1.00 0.00 C ATOM 282 CG TYR A 22 -3.478 7.033 -1.709 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.278 6.122 -1.050 1.00 0.00 C ATOM 284 CD2 TYR A 22 -3.979 7.741 -2.783 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.635 5.910 -1.483 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.336 7.529 -3.216 1.00 0.00 C ATOM 287 CZ TYR A 22 -6.097 6.623 -2.544 1.00 0.00 C ATOM 288 OH TYR A 22 -7.378 6.423 -2.953 1.00 0.00 O ATOM 0 H TYR A 22 -1.708 5.669 -3.706 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.022 6.420 -1.458 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.005 7.225 -0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.724 8.260 -1.546 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.886 5.568 -0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.353 8.454 -3.299 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.272 5.200 -0.976 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.740 8.076 -4.055 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.930 6.165 -2.185 1.00 0.00 H new ATOM 298 N THR A 23 -0.598 4.250 -0.522 1.00 0.00 N ATOM 299 CA THR A 23 -0.859 2.917 -0.006 1.00 0.00 C ATOM 300 C THR A 23 -1.721 2.992 1.256 1.00 0.00 C ATOM 301 O THR A 23 -1.763 4.024 1.923 1.00 0.00 O ATOM 302 CB THR A 23 0.487 2.225 0.218 1.00 0.00 C ATOM 303 OG1 THR A 23 1.330 3.259 0.719 1.00 0.00 O ATOM 304 CG2 THR A 23 1.154 1.803 -1.093 1.00 0.00 C ATOM 0 H THR A 23 0.273 4.670 -0.197 1.00 0.00 H new ATOM 0 HA THR A 23 -1.432 2.323 -0.718 1.00 0.00 H new ATOM 0 HB THR A 23 0.344 1.349 0.851 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.224 2.897 0.893 1.00 0.00 H new ATOM 0 HG21 THR A 23 2.106 1.317 -0.877 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.504 1.108 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.328 2.683 -1.712 1.00 0.00 H new ATOM 312 N TRP A 24 -2.388 1.884 1.544 1.00 0.00 N ATOM 313 CA TRP A 24 -3.247 1.811 2.714 1.00 0.00 C ATOM 314 C TRP A 24 -3.538 0.336 2.996 1.00 0.00 C ATOM 315 O TRP A 24 -3.288 -0.522 2.151 1.00 0.00 O ATOM 316 CB TRP A 24 -4.516 2.643 2.515 1.00 0.00 C ATOM 317 CG TRP A 24 -5.659 1.883 1.839 1.00 0.00 C ATOM 318 CD1 TRP A 24 -5.927 1.791 0.529 1.00 0.00 C ATOM 319 CD2 TRP A 24 -6.684 1.108 2.497 1.00 0.00 C ATOM 320 NE1 TRP A 24 -7.044 1.016 0.296 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.519 0.588 1.530 1.00 0.00 C ATOM 322 CE3 TRP A 24 -6.897 0.856 3.863 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.625 -0.218 1.826 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.007 0.049 4.142 1.00 0.00 C ATOM 325 CH2 TRP A 24 -8.858 -0.483 3.180 1.00 0.00 C ATOM 0 H TRP A 24 -2.351 1.030 0.988 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.750 2.240 3.584 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.857 3.004 3.485 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.273 3.521 1.916 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.342 2.264 -0.246 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.447 0.797 -0.615 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.256 1.253 4.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.264 -0.614 1.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.217 -0.176 5.177 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.695 -1.098 3.476 1.00 0.00 H new ATOM 336 N SER A 25 -4.062 0.086 4.187 1.00 0.00 N ATOM 337 CA SER A 25 -4.389 -1.271 4.591 1.00 0.00 C ATOM 338 C SER A 25 -5.587 -1.259 5.543 1.00 0.00 C ATOM 339 O SER A 25 -5.853 -0.253 6.199 1.00 0.00 O ATOM 340 CB SER A 25 -3.191 -1.952 5.254 1.00 0.00 C ATOM 341 OG SER A 25 -2.565 -1.111 6.219 1.00 0.00 O ATOM 0 H SER A 25 -4.268 0.800 4.885 1.00 0.00 H new ATOM 0 HA SER A 25 -4.648 -1.841 3.698 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.518 -2.874 5.735 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.465 -2.231 4.491 1.00 0.00 H new ATOM 0 HG SER A 25 -1.806 -1.583 6.621 1.00 0.00 H new ATOM 347 N GLN A 26 -6.278 -2.388 5.587 1.00 0.00 N ATOM 348 CA GLN A 26 -7.442 -2.520 6.448 1.00 0.00 C ATOM 349 C GLN A 26 -7.126 -3.440 7.629 1.00 0.00 C ATOM 350 O GLN A 26 -6.655 -4.560 7.440 1.00 0.00 O ATOM 351 CB GLN A 26 -8.650 -3.033 5.662 1.00 0.00 C ATOM 352 CG GLN A 26 -8.349 -4.385 5.013 1.00 0.00 C ATOM 353 CD GLN A 26 -9.306 -5.464 5.525 1.00 0.00 C ATOM 354 OE1 GLN A 26 -8.951 -6.320 6.318 1.00 0.00 O ATOM 355 NE2 GLN A 26 -10.537 -5.375 5.028 1.00 0.00 N ATOM 0 H GLN A 26 -6.055 -3.220 5.041 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.696 -1.534 6.838 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.508 -3.128 6.328 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.922 -2.309 4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.437 -4.300 3.930 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.320 -4.675 5.228 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.768 -4.633 4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.250 -6.049 5.308 1.00 0.00 H new ATOM 364 N ASP A 27 -7.399 -2.933 8.823 1.00 0.00 N ATOM 365 CA ASP A 27 -7.150 -3.694 10.034 1.00 0.00 C ATOM 366 C ASP A 27 -8.481 -3.996 10.725 1.00 0.00 C ATOM 367 O ASP A 27 -9.519 -3.457 10.342 1.00 0.00 O ATOM 368 CB ASP A 27 -6.278 -2.904 11.013 1.00 0.00 C ATOM 369 CG ASP A 27 -5.915 -3.647 12.300 1.00 0.00 C ATOM 370 OD1 ASP A 27 -5.008 -4.504 12.224 1.00 0.00 O ATOM 371 OD2 ASP A 27 -6.552 -3.340 13.331 1.00 0.00 O ATOM 0 H ASP A 27 -7.790 -2.004 8.976 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.635 -4.613 9.754 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.357 -2.616 10.505 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.798 -1.983 11.277 1.00 0.00 H new ATOM 376 N TYR A 28 -8.409 -4.856 11.730 1.00 0.00 N ATOM 377 CA TYR A 28 -9.596 -5.235 12.477 1.00 0.00 C ATOM 378 C TYR A 28 -10.527 -4.037 12.673 1.00 0.00 C ATOM 379 O TYR A 28 -11.747 -4.190 12.688 1.00 0.00 O ATOM 380 CB TYR A 28 -9.100 -5.710 13.845 1.00 0.00 C ATOM 381 CG TYR A 28 -10.175 -6.390 14.695 1.00 0.00 C ATOM 382 CD1 TYR A 28 -11.055 -7.279 14.112 1.00 0.00 C ATOM 383 CD2 TYR A 28 -10.264 -6.115 16.044 1.00 0.00 C ATOM 384 CE1 TYR A 28 -12.067 -7.919 14.912 1.00 0.00 C ATOM 385 CE2 TYR A 28 -11.276 -6.755 16.844 1.00 0.00 C ATOM 386 CZ TYR A 28 -12.127 -7.626 16.239 1.00 0.00 C ATOM 387 OH TYR A 28 -13.082 -8.231 16.995 1.00 0.00 O ATOM 0 H TYR A 28 -7.547 -5.301 12.045 1.00 0.00 H new ATOM 0 HA TYR A 28 -10.155 -6.005 11.944 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.273 -6.405 13.699 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.705 -4.855 14.394 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.985 -7.495 13.056 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.575 -5.420 16.500 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -12.763 -8.616 14.468 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -11.357 -6.548 17.901 1.00 0.00 H new ATOM 0 HH TYR A 28 -13.005 -7.928 17.924 1.00 0.00 H new ATOM 397 N THR A 29 -9.915 -2.871 12.819 1.00 0.00 N ATOM 398 CA THR A 29 -10.674 -1.647 13.014 1.00 0.00 C ATOM 399 C THR A 29 -9.746 -0.431 12.964 1.00 0.00 C ATOM 400 O THR A 29 -9.454 0.174 13.994 1.00 0.00 O ATOM 401 CB THR A 29 -11.442 -1.771 14.331 1.00 0.00 C ATOM 402 OG1 THR A 29 -12.132 -0.530 14.449 1.00 0.00 O ATOM 403 CG2 THR A 29 -10.517 -1.801 15.548 1.00 0.00 C ATOM 0 H THR A 29 -8.903 -2.748 12.806 1.00 0.00 H new ATOM 0 HA THR A 29 -11.397 -1.498 12.212 1.00 0.00 H new ATOM 0 HB THR A 29 -12.047 -2.677 14.314 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.657 -0.525 15.276 1.00 0.00 H new ATOM 0 HG21 THR A 29 -11.113 -1.890 16.456 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.843 -2.654 15.472 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.935 -0.880 15.585 1.00 0.00 H new ATOM 411 N ASP A 30 -9.310 -0.109 11.755 1.00 0.00 N ATOM 412 CA ASP A 30 -8.422 1.024 11.558 1.00 0.00 C ATOM 413 C ASP A 30 -7.907 1.018 10.117 1.00 0.00 C ATOM 414 O ASP A 30 -7.843 -0.033 9.481 1.00 0.00 O ATOM 415 CB ASP A 30 -7.213 0.946 12.492 1.00 0.00 C ATOM 416 CG ASP A 30 -5.992 1.750 12.039 1.00 0.00 C ATOM 417 OD1 ASP A 30 -6.167 2.966 11.812 1.00 0.00 O ATOM 418 OD2 ASP A 30 -4.913 1.130 11.931 1.00 0.00 O ATOM 0 H ASP A 30 -9.555 -0.613 10.903 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.984 1.933 11.771 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.513 1.295 13.480 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.922 -0.099 12.598 1.00 0.00 H new ATOM 423 N LEU A 31 -7.553 2.204 9.644 1.00 0.00 N ATOM 424 CA LEU A 31 -7.046 2.348 8.290 1.00 0.00 C ATOM 425 C LEU A 31 -5.733 3.133 8.322 1.00 0.00 C ATOM 426 O LEU A 31 -5.719 4.310 8.680 1.00 0.00 O ATOM 427 CB LEU A 31 -8.111 2.967 7.382 1.00 0.00 C ATOM 428 CG LEU A 31 -9.504 2.341 7.459 1.00 0.00 C ATOM 429 CD1 LEU A 31 -10.414 3.141 8.393 1.00 0.00 C ATOM 430 CD2 LEU A 31 -10.112 2.183 6.064 1.00 0.00 C ATOM 0 H LEU A 31 -7.607 3.074 10.174 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.823 1.371 7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.196 4.026 7.625 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.762 2.904 6.351 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.406 1.342 7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.398 2.674 8.430 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.983 3.158 9.394 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.510 4.161 8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.102 1.736 6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.194 3.161 5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.473 1.540 5.459 1.00 0.00 H new ATOM 442 N GLU A 32 -4.663 2.451 7.944 1.00 0.00 N ATOM 443 CA GLU A 32 -3.348 3.070 7.926 1.00 0.00 C ATOM 444 C GLU A 32 -2.905 3.331 6.485 1.00 0.00 C ATOM 445 O GLU A 32 -2.568 2.398 5.757 1.00 0.00 O ATOM 446 CB GLU A 32 -2.325 2.206 8.666 1.00 0.00 C ATOM 447 CG GLU A 32 -1.812 2.918 9.920 1.00 0.00 C ATOM 448 CD GLU A 32 -1.603 1.927 11.066 1.00 0.00 C ATOM 449 OE1 GLU A 32 -2.350 0.925 11.094 1.00 0.00 O ATOM 450 OE2 GLU A 32 -0.700 2.193 11.889 1.00 0.00 O ATOM 0 H GLU A 32 -4.679 1.475 7.647 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.410 4.026 8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.780 1.255 8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.489 1.979 8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.873 3.424 9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.524 3.686 10.224 1.00 0.00 H new ATOM 457 N VAL A 33 -2.919 4.604 6.117 1.00 0.00 N ATOM 458 CA VAL A 33 -2.522 4.999 4.776 1.00 0.00 C ATOM 459 C VAL A 33 -1.215 5.791 4.848 1.00 0.00 C ATOM 460 O VAL A 33 -1.068 6.678 5.688 1.00 0.00 O ATOM 461 CB VAL A 33 -3.655 5.776 4.103 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.447 6.590 5.129 1.00 0.00 C ATOM 463 CG2 VAL A 33 -3.117 6.675 2.988 1.00 0.00 C ATOM 0 H VAL A 33 -3.199 5.375 6.724 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.336 4.120 4.158 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.335 5.053 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.246 7.133 4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.877 5.919 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.782 7.299 5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.943 7.216 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.406 7.387 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.619 6.063 2.236 1.00 0.00 H new ATOM 473 N ARG A 34 -0.299 5.442 3.957 1.00 0.00 N ATOM 474 CA ARG A 34 0.991 6.108 3.909 1.00 0.00 C ATOM 475 C ARG A 34 1.232 6.699 2.518 1.00 0.00 C ATOM 476 O ARG A 34 1.055 6.016 1.511 1.00 0.00 O ATOM 477 CB ARG A 34 2.125 5.139 4.248 1.00 0.00 C ATOM 478 CG ARG A 34 2.223 4.916 5.759 1.00 0.00 C ATOM 479 CD ARG A 34 2.524 3.451 6.078 1.00 0.00 C ATOM 480 NE ARG A 34 3.697 3.359 6.977 1.00 0.00 N ATOM 481 CZ ARG A 34 4.220 2.205 7.414 1.00 0.00 C ATOM 482 NH1 ARG A 34 3.678 1.039 7.037 1.00 0.00 N ATOM 483 NH2 ARG A 34 5.285 2.218 8.227 1.00 0.00 N ATOM 0 H ARG A 34 -0.425 4.706 3.262 1.00 0.00 H new ATOM 0 HA ARG A 34 0.979 6.907 4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.956 4.186 3.746 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.069 5.533 3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.006 5.551 6.174 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.288 5.211 6.235 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.657 2.987 6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.718 2.902 5.157 1.00 0.00 H new ATOM 0 HE ARG A 34 4.134 4.228 7.283 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.868 1.030 6.418 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.076 0.161 7.369 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.697 3.106 8.513 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.683 1.340 8.560 1.00 0.00 H new ATOM 497 N VAL A 35 1.634 7.961 2.508 1.00 0.00 N ATOM 498 CA VAL A 35 1.901 8.651 1.257 1.00 0.00 C ATOM 499 C VAL A 35 3.405 8.905 1.131 1.00 0.00 C ATOM 500 O VAL A 35 4.032 9.413 2.059 1.00 0.00 O ATOM 501 CB VAL A 35 1.070 9.933 1.179 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.371 10.703 -0.109 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.424 9.626 1.297 1.00 0.00 C ATOM 0 H VAL A 35 1.781 8.524 3.346 1.00 0.00 H new ATOM 0 HA VAL A 35 1.603 8.034 0.409 1.00 0.00 H new ATOM 0 HB VAL A 35 1.350 10.566 2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.767 11.610 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.428 10.969 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.133 10.079 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.992 10.554 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.725 8.965 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.621 9.140 2.252 1.00 0.00 H new ATOM 513 N PRO A 36 3.953 8.530 -0.055 1.00 0.00 N ATOM 514 CA PRO A 36 5.371 8.711 -0.315 1.00 0.00 C ATOM 515 C PRO A 36 5.695 10.181 -0.591 1.00 0.00 C ATOM 516 O PRO A 36 4.949 10.863 -1.292 1.00 0.00 O ATOM 517 CB PRO A 36 5.675 7.805 -1.497 1.00 0.00 C ATOM 518 CG PRO A 36 4.334 7.506 -2.147 1.00 0.00 C ATOM 519 CD PRO A 36 3.241 7.925 -1.177 1.00 0.00 C ATOM 0 HA PRO A 36 5.991 8.447 0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.350 8.293 -2.200 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.164 6.887 -1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.237 8.047 -3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.251 6.444 -2.380 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.553 8.634 -1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.648 7.069 -0.855 1.00 0.00 H new ATOM 527 N VAL A 37 6.807 10.626 -0.024 1.00 0.00 N ATOM 528 CA VAL A 37 7.237 12.002 -0.200 1.00 0.00 C ATOM 529 C VAL A 37 8.631 12.019 -0.831 1.00 0.00 C ATOM 530 O VAL A 37 9.357 11.029 -0.767 1.00 0.00 O ATOM 531 CB VAL A 37 7.177 12.745 1.137 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.755 12.741 1.702 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.167 12.149 2.140 1.00 0.00 C ATOM 0 H VAL A 37 7.423 10.058 0.557 1.00 0.00 H new ATOM 0 HA VAL A 37 6.566 12.528 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 37 7.464 13.781 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.739 13.275 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.083 13.232 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.429 11.713 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.104 12.695 3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.924 11.100 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.179 12.227 1.742 1.00 0.00 H new ATOM 543 N PRO A 38 8.972 13.186 -1.440 1.00 0.00 N ATOM 544 CA PRO A 38 10.266 13.345 -2.082 1.00 0.00 C ATOM 545 C PRO A 38 11.375 13.524 -1.043 1.00 0.00 C ATOM 546 O PRO A 38 11.114 13.500 0.159 1.00 0.00 O ATOM 547 CB PRO A 38 10.107 14.550 -2.994 1.00 0.00 C ATOM 548 CG PRO A 38 8.886 15.300 -2.487 1.00 0.00 C ATOM 549 CD PRO A 38 8.138 14.381 -1.535 1.00 0.00 C ATOM 0 HA PRO A 38 10.563 12.466 -2.654 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.994 15.183 -2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.972 14.240 -4.030 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.185 16.216 -1.978 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.245 15.592 -3.319 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.002 14.848 -0.559 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.145 14.141 -1.915 1.00 0.00 H new ATOM 557 N LYS A 39 12.589 13.700 -1.544 1.00 0.00 N ATOM 558 CA LYS A 39 13.738 13.883 -0.674 1.00 0.00 C ATOM 559 C LYS A 39 13.905 15.371 -0.363 1.00 0.00 C ATOM 560 O LYS A 39 14.919 15.782 0.200 1.00 0.00 O ATOM 561 CB LYS A 39 14.983 13.239 -1.289 1.00 0.00 C ATOM 562 CG LYS A 39 14.601 12.092 -2.225 1.00 0.00 C ATOM 563 CD LYS A 39 14.639 12.541 -3.687 1.00 0.00 C ATOM 564 CE LYS A 39 13.794 11.618 -4.567 1.00 0.00 C ATOM 565 NZ LYS A 39 14.427 11.443 -5.893 1.00 0.00 N ATOM 0 H LYS A 39 12.802 13.720 -2.541 1.00 0.00 H new ATOM 0 HA LYS A 39 13.581 13.374 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.550 13.989 -1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.633 12.866 -0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.285 11.256 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.602 11.733 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.270 13.563 -3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.669 12.546 -4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.679 10.649 -4.082 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.794 12.035 -4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.840 10.814 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.515 12.368 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.372 11.024 -5.774 1.00 0.00 H new ATOM 579 N HIS A 40 12.895 16.140 -0.743 1.00 0.00 N ATOM 580 CA HIS A 40 12.918 17.574 -0.512 1.00 0.00 C ATOM 581 C HIS A 40 11.918 17.932 0.590 1.00 0.00 C ATOM 582 O HIS A 40 11.847 19.082 1.019 1.00 0.00 O ATOM 583 CB HIS A 40 12.664 18.338 -1.813 1.00 0.00 C ATOM 584 CG HIS A 40 11.234 18.274 -2.294 1.00 0.00 C ATOM 585 ND1 HIS A 40 10.876 17.720 -3.511 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.077 18.699 -1.710 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.561 17.814 -3.643 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.068 18.421 -2.526 1.00 0.00 N ATOM 0 H HIS A 40 12.055 15.797 -1.209 1.00 0.00 H new ATOM 0 HA HIS A 40 13.908 17.875 -0.169 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.942 19.382 -1.669 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.316 17.939 -2.590 1.00 0.00 H new ATOM 0 HD1 HIS A 40 11.516 17.309 -4.191 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.996 19.180 -0.747 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.981 17.470 -4.487 1.00 0.00 H new ATOM 596 N VAL A 41 11.171 16.924 1.017 1.00 0.00 N ATOM 597 CA VAL A 41 10.179 17.118 2.061 1.00 0.00 C ATOM 598 C VAL A 41 10.740 16.611 3.391 1.00 0.00 C ATOM 599 O VAL A 41 10.728 15.409 3.656 1.00 0.00 O ATOM 600 CB VAL A 41 8.866 16.439 1.667 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.985 16.197 2.894 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.122 17.256 0.609 1.00 0.00 C ATOM 0 H VAL A 41 11.233 15.971 0.659 1.00 0.00 H new ATOM 0 HA VAL A 41 9.956 18.178 2.185 1.00 0.00 H new ATOM 0 HB VAL A 41 9.107 15.469 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.058 15.713 2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.512 15.555 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.756 17.150 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.192 16.751 0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.898 18.246 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.745 17.354 -0.280 1.00 0.00 H new ATOM 612 N VAL A 42 11.217 17.551 4.193 1.00 0.00 N ATOM 613 CA VAL A 42 11.780 17.214 5.489 1.00 0.00 C ATOM 614 C VAL A 42 11.406 18.300 6.501 1.00 0.00 C ATOM 615 O VAL A 42 12.010 18.393 7.568 1.00 0.00 O ATOM 616 CB VAL A 42 13.291 17.008 5.365 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.609 15.809 4.470 1.00 0.00 C ATOM 618 CG2 VAL A 42 13.977 18.274 4.850 1.00 0.00 C ATOM 0 H VAL A 42 11.225 18.546 3.970 1.00 0.00 H new ATOM 0 HA VAL A 42 11.365 16.274 5.853 1.00 0.00 H new ATOM 0 HB VAL A 42 13.683 16.797 6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.690 15.685 4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.168 14.909 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.197 15.978 3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.050 18.100 4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.578 18.530 3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.792 19.095 5.543 1.00 0.00 H new ATOM 628 N LYS A 43 10.412 19.093 6.129 1.00 0.00 N ATOM 629 CA LYS A 43 9.950 20.168 6.990 1.00 0.00 C ATOM 630 C LYS A 43 8.596 19.788 7.592 1.00 0.00 C ATOM 631 O LYS A 43 8.535 19.220 8.681 1.00 0.00 O ATOM 632 CB LYS A 43 9.934 21.495 6.229 1.00 0.00 C ATOM 633 CG LYS A 43 11.301 22.180 6.291 1.00 0.00 C ATOM 634 CD LYS A 43 11.406 23.085 7.520 1.00 0.00 C ATOM 635 CE LYS A 43 11.933 22.310 8.729 1.00 0.00 C ATOM 636 NZ LYS A 43 12.954 23.103 9.448 1.00 0.00 N ATOM 0 H LYS A 43 9.914 19.012 5.243 1.00 0.00 H new ATOM 0 HA LYS A 43 10.640 20.312 7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.659 21.319 5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.175 22.152 6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.088 21.427 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.458 22.769 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.069 23.923 7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.427 23.505 7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.110 22.071 9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.363 21.363 8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.301 22.562 10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.747 23.310 8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.533 23.995 9.777 1.00 0.00 H new ATOM 650 N GLY A 44 7.544 20.117 6.857 1.00 0.00 N ATOM 651 CA GLY A 44 6.195 19.817 7.305 1.00 0.00 C ATOM 652 C GLY A 44 5.183 20.781 6.681 1.00 0.00 C ATOM 653 O GLY A 44 4.049 20.399 6.400 1.00 0.00 O ATOM 0 H GLY A 44 7.599 20.588 5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.939 18.792 7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.145 19.885 8.392 1.00 0.00 H new ATOM 657 N LYS A 45 5.632 22.012 6.483 1.00 0.00 N ATOM 658 CA LYS A 45 4.780 23.033 5.897 1.00 0.00 C ATOM 659 C LYS A 45 4.676 22.801 4.389 1.00 0.00 C ATOM 660 O LYS A 45 3.840 23.408 3.720 1.00 0.00 O ATOM 661 CB LYS A 45 5.282 24.429 6.272 1.00 0.00 C ATOM 662 CG LYS A 45 6.486 24.826 5.415 1.00 0.00 C ATOM 663 CD LYS A 45 6.962 26.239 5.759 1.00 0.00 C ATOM 664 CE LYS A 45 8.490 26.309 5.797 1.00 0.00 C ATOM 665 NZ LYS A 45 8.936 27.507 6.543 1.00 0.00 N ATOM 0 H LYS A 45 6.574 22.325 6.718 1.00 0.00 H new ATOM 0 HA LYS A 45 3.770 22.964 6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.481 25.156 6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.559 24.449 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.298 24.116 5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.218 24.775 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.580 26.945 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.557 26.538 6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.889 25.411 6.268 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.884 26.338 4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.975 27.539 6.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.570 28.362 6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.576 27.463 7.518 1.00 0.00 H new ATOM 679 N GLN A 46 5.536 21.922 3.897 1.00 0.00 N ATOM 680 CA GLN A 46 5.551 21.602 2.479 1.00 0.00 C ATOM 681 C GLN A 46 4.382 20.677 2.131 1.00 0.00 C ATOM 682 O GLN A 46 3.911 20.667 0.995 1.00 0.00 O ATOM 683 CB GLN A 46 6.886 20.975 2.073 1.00 0.00 C ATOM 684 CG GLN A 46 8.061 21.752 2.671 1.00 0.00 C ATOM 685 CD GLN A 46 9.368 21.406 1.955 1.00 0.00 C ATOM 686 OE1 GLN A 46 9.673 21.911 0.887 1.00 0.00 O ATOM 687 NE2 GLN A 46 10.120 20.519 2.600 1.00 0.00 N ATOM 0 H GLN A 46 6.228 21.421 4.455 1.00 0.00 H new ATOM 0 HA GLN A 46 5.436 22.528 1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.922 19.939 2.409 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.970 20.961 0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.871 22.823 2.592 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.152 21.521 3.732 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.805 20.135 3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.012 20.222 2.204 1.00 0.00 H new ATOM 696 N VAL A 47 3.949 19.922 3.130 1.00 0.00 N ATOM 697 CA VAL A 47 2.845 18.996 2.944 1.00 0.00 C ATOM 698 C VAL A 47 1.622 19.508 3.707 1.00 0.00 C ATOM 699 O VAL A 47 1.750 20.034 4.812 1.00 0.00 O ATOM 700 CB VAL A 47 3.267 17.587 3.366 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.780 16.787 2.168 1.00 0.00 C ATOM 702 CG2 VAL A 47 4.314 17.639 4.480 1.00 0.00 C ATOM 0 H VAL A 47 4.343 19.933 4.071 1.00 0.00 H new ATOM 0 HA VAL A 47 2.570 18.936 1.891 1.00 0.00 H new ATOM 0 HB VAL A 47 2.387 17.077 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.073 15.790 2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.991 16.706 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.641 17.294 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.597 16.625 4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.194 18.176 4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.898 18.153 5.346 1.00 0.00 H new ATOM 712 N SER A 48 0.463 19.336 3.088 1.00 0.00 N ATOM 713 CA SER A 48 -0.782 19.774 3.695 1.00 0.00 C ATOM 714 C SER A 48 -1.647 18.562 4.049 1.00 0.00 C ATOM 715 O SER A 48 -1.526 17.506 3.428 1.00 0.00 O ATOM 716 CB SER A 48 -1.547 20.717 2.765 1.00 0.00 C ATOM 717 OG SER A 48 -2.681 21.295 3.405 1.00 0.00 O ATOM 0 H SER A 48 0.360 18.899 2.172 1.00 0.00 H new ATOM 0 HA SER A 48 -0.543 20.321 4.607 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.880 21.509 2.424 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.870 20.169 1.880 1.00 0.00 H new ATOM 0 HG SER A 48 -3.141 21.892 2.779 1.00 0.00 H new ATOM 723 N VAL A 49 -2.499 18.753 5.044 1.00 0.00 N ATOM 724 CA VAL A 49 -3.384 17.689 5.488 1.00 0.00 C ATOM 725 C VAL A 49 -4.754 18.278 5.827 1.00 0.00 C ATOM 726 O VAL A 49 -4.845 19.279 6.535 1.00 0.00 O ATOM 727 CB VAL A 49 -2.750 16.937 6.660 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.744 15.954 7.282 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.470 16.220 6.224 1.00 0.00 C ATOM 0 H VAL A 49 -2.596 19.630 5.556 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.533 16.959 4.692 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.481 17.669 7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.269 15.432 8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.615 16.499 7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.058 15.229 6.531 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.040 15.693 7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.704 15.504 5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.753 16.951 5.849 1.00 0.00 H new ATOM 739 N ALA A 50 -5.786 17.632 5.304 1.00 0.00 N ATOM 740 CA ALA A 50 -7.148 18.080 5.542 1.00 0.00 C ATOM 741 C ALA A 50 -7.981 16.908 6.067 1.00 0.00 C ATOM 742 O ALA A 50 -8.262 15.963 5.332 1.00 0.00 O ATOM 743 CB ALA A 50 -7.723 18.673 4.254 1.00 0.00 C ATOM 0 H ALA A 50 -5.706 16.802 4.716 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.168 18.864 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.744 19.009 4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.113 19.519 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.722 17.914 3.472 1.00 0.00 H new ATOM 749 N LEU A 51 -8.352 17.009 7.335 1.00 0.00 N ATOM 750 CA LEU A 51 -9.147 15.970 7.967 1.00 0.00 C ATOM 751 C LEU A 51 -10.522 16.534 8.327 1.00 0.00 C ATOM 752 O LEU A 51 -10.621 17.526 9.049 1.00 0.00 O ATOM 753 CB LEU A 51 -8.396 15.371 9.159 1.00 0.00 C ATOM 754 CG LEU A 51 -7.044 14.728 8.845 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.277 14.411 10.130 1.00 0.00 C ATOM 756 CD2 LEU A 51 -7.216 13.492 7.960 1.00 0.00 C ATOM 0 H LEU A 51 -8.117 17.794 7.942 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.312 15.143 7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.239 16.158 9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.034 14.620 9.625 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.447 15.445 8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.319 13.955 9.879 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.105 15.332 10.688 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.859 13.720 10.740 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.239 13.055 7.752 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.839 12.760 8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.692 13.779 7.022 1.00 0.00 H new ATOM 768 N SER A 52 -11.550 15.879 7.808 1.00 0.00 N ATOM 769 CA SER A 52 -12.916 16.303 8.066 1.00 0.00 C ATOM 770 C SER A 52 -13.684 15.188 8.779 1.00 0.00 C ATOM 771 O SER A 52 -14.077 15.341 9.934 1.00 0.00 O ATOM 772 CB SER A 52 -13.626 16.691 6.768 1.00 0.00 C ATOM 773 OG SER A 52 -13.261 17.997 6.329 1.00 0.00 O ATOM 0 H SER A 52 -11.465 15.057 7.210 1.00 0.00 H new ATOM 0 HA SER A 52 -12.886 17.183 8.709 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.383 15.966 5.991 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.705 16.647 6.918 1.00 0.00 H new ATOM 0 HG SER A 52 -13.734 18.206 5.497 1.00 0.00 H new ATOM 779 N SER A 53 -13.875 14.091 8.060 1.00 0.00 N ATOM 780 CA SER A 53 -14.589 12.951 8.609 1.00 0.00 C ATOM 781 C SER A 53 -14.790 11.889 7.527 1.00 0.00 C ATOM 782 O SER A 53 -14.404 10.735 7.706 1.00 0.00 O ATOM 783 CB SER A 53 -15.938 13.376 9.193 1.00 0.00 C ATOM 784 OG SER A 53 -16.729 12.255 9.579 1.00 0.00 O ATOM 0 H SER A 53 -13.547 13.968 7.102 1.00 0.00 H new ATOM 0 HA SER A 53 -13.991 12.529 9.416 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.773 14.018 10.058 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.482 13.967 8.456 1.00 0.00 H new ATOM 0 HG SER A 53 -17.304 12.504 10.333 1.00 0.00 H new ATOM 790 N SER A 54 -15.393 12.316 6.427 1.00 0.00 N ATOM 791 CA SER A 54 -15.649 11.416 5.316 1.00 0.00 C ATOM 792 C SER A 54 -14.842 11.852 4.092 1.00 0.00 C ATOM 793 O SER A 54 -15.230 11.577 2.957 1.00 0.00 O ATOM 794 CB SER A 54 -17.141 11.369 4.978 1.00 0.00 C ATOM 795 OG SER A 54 -17.572 12.545 4.300 1.00 0.00 O ATOM 0 H SER A 54 -15.712 13.274 6.282 1.00 0.00 H new ATOM 0 HA SER A 54 -15.338 10.413 5.610 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.345 10.497 4.356 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.717 11.248 5.895 1.00 0.00 H new ATOM 0 HG SER A 54 -18.529 12.475 4.100 1.00 0.00 H new ATOM 801 N SER A 55 -13.733 12.525 4.363 1.00 0.00 N ATOM 802 CA SER A 55 -12.868 13.002 3.298 1.00 0.00 C ATOM 803 C SER A 55 -11.439 13.170 3.820 1.00 0.00 C ATOM 804 O SER A 55 -11.186 12.999 5.011 1.00 0.00 O ATOM 805 CB SER A 55 -13.381 14.323 2.721 1.00 0.00 C ATOM 806 OG SER A 55 -12.495 14.856 1.740 1.00 0.00 O ATOM 0 H SER A 55 -13.414 12.751 5.305 1.00 0.00 H new ATOM 0 HA SER A 55 -12.871 12.262 2.498 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.364 14.167 2.276 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.507 15.046 3.527 1.00 0.00 H new ATOM 0 HG SER A 55 -12.858 15.698 1.394 1.00 0.00 H new ATOM 812 N ILE A 56 -10.543 13.504 2.903 1.00 0.00 N ATOM 813 CA ILE A 56 -9.147 13.697 3.256 1.00 0.00 C ATOM 814 C ILE A 56 -8.435 14.430 2.118 1.00 0.00 C ATOM 815 O ILE A 56 -8.870 14.373 0.969 1.00 0.00 O ATOM 816 CB ILE A 56 -8.499 12.362 3.628 1.00 0.00 C ATOM 817 CG1 ILE A 56 -7.105 12.576 4.221 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.473 11.412 2.429 1.00 0.00 C ATOM 819 CD1 ILE A 56 -6.050 12.679 3.117 1.00 0.00 C ATOM 0 H ILE A 56 -10.757 13.646 1.916 1.00 0.00 H new ATOM 0 HA ILE A 56 -9.061 14.325 4.143 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.108 11.890 4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.097 13.485 4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.859 11.750 4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.007 10.471 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.492 11.224 2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.901 11.864 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.068 12.831 3.565 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.044 11.759 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.286 13.521 2.466 1.00 0.00 H new ATOM 831 N ARG A 57 -7.351 15.103 2.477 1.00 0.00 N ATOM 832 CA ARG A 57 -6.574 15.846 1.500 1.00 0.00 C ATOM 833 C ARG A 57 -5.082 15.751 1.825 1.00 0.00 C ATOM 834 O ARG A 57 -4.678 15.955 2.969 1.00 0.00 O ATOM 835 CB ARG A 57 -6.990 17.319 1.471 1.00 0.00 C ATOM 836 CG ARG A 57 -6.643 17.959 0.125 1.00 0.00 C ATOM 837 CD ARG A 57 -5.779 19.207 0.319 1.00 0.00 C ATOM 838 NE ARG A 57 -5.247 19.662 -0.985 1.00 0.00 N ATOM 839 CZ ARG A 57 -5.956 20.358 -1.884 1.00 0.00 C ATOM 840 NH1 ARG A 57 -7.229 20.685 -1.626 1.00 0.00 N ATOM 841 NH2 ARG A 57 -5.390 20.728 -3.042 1.00 0.00 N ATOM 0 H ARG A 57 -6.993 15.149 3.431 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.765 15.407 0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.062 17.402 1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.489 17.858 2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.113 17.239 -0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.559 18.225 -0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.369 20.001 0.777 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.957 18.988 1.000 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.280 19.431 -1.214 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.659 20.404 -0.745 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.768 21.215 -2.311 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.420 20.480 -3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.929 21.258 -3.727 1.00 0.00 H new ATOM 855 N VAL A 58 -4.304 15.442 0.798 1.00 0.00 N ATOM 856 CA VAL A 58 -2.865 15.318 0.960 1.00 0.00 C ATOM 857 C VAL A 58 -2.163 15.975 -0.230 1.00 0.00 C ATOM 858 O VAL A 58 -2.511 15.715 -1.381 1.00 0.00 O ATOM 859 CB VAL A 58 -2.484 13.847 1.141 1.00 0.00 C ATOM 860 CG1 VAL A 58 -0.965 13.668 1.126 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.090 13.278 2.425 1.00 0.00 C ATOM 0 H VAL A 58 -4.643 15.274 -0.149 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.536 15.839 1.859 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.895 13.289 0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.722 12.614 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.567 14.017 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.523 14.246 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.804 12.231 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.722 13.842 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.176 13.354 2.380 1.00 0.00 H new ATOM 871 N ALA A 59 -1.188 16.814 0.088 1.00 0.00 N ATOM 872 CA ALA A 59 -0.434 17.510 -0.940 1.00 0.00 C ATOM 873 C ALA A 59 0.978 17.797 -0.426 1.00 0.00 C ATOM 874 O ALA A 59 1.232 17.720 0.775 1.00 0.00 O ATOM 875 CB ALA A 59 -1.178 18.784 -1.344 1.00 0.00 C ATOM 0 H ALA A 59 -0.903 17.027 1.044 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.340 16.891 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.612 19.307 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.163 18.523 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.289 19.432 -0.474 1.00 0.00 H new ATOM 881 N MET A 60 1.859 18.122 -1.360 1.00 0.00 N ATOM 882 CA MET A 60 3.238 18.421 -1.016 1.00 0.00 C ATOM 883 C MET A 60 3.823 19.473 -1.961 1.00 0.00 C ATOM 884 O MET A 60 3.579 19.435 -3.166 1.00 0.00 O ATOM 885 CB MET A 60 4.074 17.142 -1.096 1.00 0.00 C ATOM 886 CG MET A 60 4.014 16.536 -2.500 1.00 0.00 C ATOM 887 SD MET A 60 5.661 16.140 -3.065 1.00 0.00 S ATOM 888 CE MET A 60 6.419 17.753 -2.962 1.00 0.00 C ATOM 0 H MET A 60 1.644 18.185 -2.355 1.00 0.00 H new ATOM 0 HA MET A 60 3.261 18.818 -0.001 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.109 17.363 -0.835 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.709 16.418 -0.367 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.398 15.637 -2.491 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.543 17.238 -3.188 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.186 17.844 -3.731 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.661 18.522 -3.112 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.874 17.879 -1.980 1.00 0.00 H new ATOM 898 N LEU A 61 4.584 20.388 -1.378 1.00 0.00 N ATOM 899 CA LEU A 61 5.206 21.448 -2.153 1.00 0.00 C ATOM 900 C LEU A 61 6.362 20.867 -2.969 1.00 0.00 C ATOM 901 O LEU A 61 7.223 20.175 -2.428 1.00 0.00 O ATOM 902 CB LEU A 61 5.618 22.607 -1.242 1.00 0.00 C ATOM 903 CG LEU A 61 4.477 23.343 -0.536 1.00 0.00 C ATOM 904 CD1 LEU A 61 4.935 24.716 -0.041 1.00 0.00 C ATOM 905 CD2 LEU A 61 3.246 23.441 -1.439 1.00 0.00 C ATOM 0 H LEU A 61 4.784 20.417 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 61 4.494 21.868 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.300 22.222 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.177 23.329 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 61 4.188 22.764 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.106 25.218 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.759 24.593 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.267 25.316 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.450 23.968 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.504 23.986 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.906 22.439 -1.701 1.00 0.00 H new ATOM 917 N GLU A 62 6.345 21.170 -4.259 1.00 0.00 N ATOM 918 CA GLU A 62 7.381 20.686 -5.155 1.00 0.00 C ATOM 919 C GLU A 62 8.473 21.745 -5.325 1.00 0.00 C ATOM 920 O GLU A 62 9.602 21.555 -4.875 1.00 0.00 O ATOM 921 CB GLU A 62 6.792 20.285 -6.509 1.00 0.00 C ATOM 922 CG GLU A 62 6.194 18.877 -6.451 1.00 0.00 C ATOM 923 CD GLU A 62 7.204 17.833 -6.930 1.00 0.00 C ATOM 924 OE1 GLU A 62 7.995 18.181 -7.833 1.00 0.00 O ATOM 925 OE2 GLU A 62 7.162 16.709 -6.383 1.00 0.00 O ATOM 0 H GLU A 62 5.630 21.745 -4.705 1.00 0.00 H new ATOM 0 HA GLU A 62 7.830 19.796 -4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.022 20.999 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.568 20.323 -7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.887 18.650 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.298 18.833 -7.070 1.00 0.00 H new ATOM 932 N GLU A 63 8.098 22.837 -5.975 1.00 0.00 N ATOM 933 CA GLU A 63 9.031 23.926 -6.210 1.00 0.00 C ATOM 934 C GLU A 63 8.274 25.201 -6.585 1.00 0.00 C ATOM 935 O GLU A 63 8.182 26.131 -5.785 1.00 0.00 O ATOM 936 CB GLU A 63 10.047 23.553 -7.291 1.00 0.00 C ATOM 937 CG GLU A 63 11.460 23.471 -6.710 1.00 0.00 C ATOM 938 CD GLU A 63 12.320 24.642 -7.190 1.00 0.00 C ATOM 939 OE1 GLU A 63 12.038 25.774 -6.741 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.239 24.378 -7.996 1.00 0.00 O ATOM 0 H GLU A 63 7.161 22.991 -6.346 1.00 0.00 H new ATOM 0 HA GLU A 63 9.582 24.112 -5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.776 22.595 -7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.021 24.293 -8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.410 23.475 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.924 22.530 -7.005 1.00 0.00 H new ATOM 947 N ASN A 64 7.751 25.205 -7.803 1.00 0.00 N ATOM 948 CA ASN A 64 7.005 26.351 -8.294 1.00 0.00 C ATOM 949 C ASN A 64 5.543 26.224 -7.864 1.00 0.00 C ATOM 950 O ASN A 64 4.760 27.158 -8.031 1.00 0.00 O ATOM 951 CB ASN A 64 7.045 26.420 -9.822 1.00 0.00 C ATOM 952 CG ASN A 64 7.593 27.767 -10.296 1.00 0.00 C ATOM 953 OD1 ASN A 64 8.724 28.136 -10.025 1.00 0.00 O ATOM 954 ND2 ASN A 64 6.732 28.479 -11.016 1.00 0.00 N ATOM 0 H ASN A 64 7.829 24.432 -8.464 1.00 0.00 H new ATOM 0 HA ASN A 64 7.459 27.252 -7.881 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.667 25.613 -10.210 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.042 26.270 -10.223 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.003 29.393 -11.378 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.800 28.111 -11.206 1.00 0.00 H new ATOM 961 N GLY A 65 5.218 25.062 -7.318 1.00 0.00 N ATOM 962 CA GLY A 65 3.863 24.801 -6.863 1.00 0.00 C ATOM 963 C GLY A 65 3.828 23.618 -5.893 1.00 0.00 C ATOM 964 O GLY A 65 4.665 23.521 -4.997 1.00 0.00 O ATOM 0 H GLY A 65 5.870 24.290 -7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.463 25.689 -6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.222 24.593 -7.720 1.00 0.00 H new ATOM 968 N GLU A 66 2.851 22.748 -6.105 1.00 0.00 N ATOM 969 CA GLU A 66 2.697 21.576 -5.261 1.00 0.00 C ATOM 970 C GLU A 66 1.972 20.465 -6.023 1.00 0.00 C ATOM 971 O GLU A 66 1.721 20.590 -7.220 1.00 0.00 O ATOM 972 CB GLU A 66 1.958 21.926 -3.967 1.00 0.00 C ATOM 973 CG GLU A 66 0.449 22.013 -4.203 1.00 0.00 C ATOM 974 CD GLU A 66 0.125 23.012 -5.316 1.00 0.00 C ATOM 975 OE1 GLU A 66 0.344 24.219 -5.076 1.00 0.00 O ATOM 976 OE2 GLU A 66 -0.334 22.547 -6.381 1.00 0.00 O ATOM 0 H GLU A 66 2.158 22.832 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 66 3.689 21.215 -4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.168 21.172 -3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.325 22.877 -3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.061 21.029 -4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.050 22.315 -3.282 1.00 0.00 H new ATOM 983 N ARG A 67 1.656 19.402 -5.297 1.00 0.00 N ATOM 984 CA ARG A 67 0.965 18.270 -5.890 1.00 0.00 C ATOM 985 C ARG A 67 0.147 17.532 -4.827 1.00 0.00 C ATOM 986 O ARG A 67 0.605 17.355 -3.699 1.00 0.00 O ATOM 987 CB ARG A 67 1.954 17.295 -6.531 1.00 0.00 C ATOM 988 CG ARG A 67 1.225 16.095 -7.140 1.00 0.00 C ATOM 989 CD ARG A 67 1.983 15.551 -8.352 1.00 0.00 C ATOM 990 NE ARG A 67 1.026 15.080 -9.377 1.00 0.00 N ATOM 991 CZ ARG A 67 1.375 14.701 -10.614 1.00 0.00 C ATOM 992 NH1 ARG A 67 2.662 14.735 -10.987 1.00 0.00 N ATOM 993 NH2 ARG A 67 0.439 14.287 -11.478 1.00 0.00 N ATOM 0 H ARG A 67 1.866 19.301 -4.304 1.00 0.00 H new ATOM 0 HA ARG A 67 0.300 18.655 -6.663 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.526 17.808 -7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.667 16.950 -5.782 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.119 15.311 -6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.219 16.389 -7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.623 16.328 -8.770 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.634 14.732 -8.047 1.00 0.00 H new ATOM 0 HE ARG A 67 0.038 15.041 -9.126 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.375 15.049 -10.329 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.928 14.447 -11.929 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.540 14.260 -11.195 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.706 13.999 -12.419 1.00 0.00 H new ATOM 1007 N VAL A 68 -1.047 17.120 -5.226 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.932 16.405 -4.322 1.00 0.00 C ATOM 1009 C VAL A 68 -1.656 14.904 -4.427 1.00 0.00 C ATOM 1010 O VAL A 68 -2.170 14.236 -5.323 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.389 16.768 -4.620 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.347 15.930 -3.771 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.635 18.263 -4.411 1.00 0.00 C ATOM 0 H VAL A 68 -1.422 17.267 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.743 16.699 -3.290 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.584 16.540 -5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.375 16.207 -4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.198 14.873 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.151 16.112 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.678 18.494 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.414 18.527 -3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.989 18.835 -5.078 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.845 14.417 -3.499 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.495 13.008 -3.476 1.00 0.00 C ATOM 1025 C LEU A 69 -1.769 12.172 -3.330 1.00 0.00 C ATOM 1026 O LEU A 69 -1.996 11.240 -4.099 1.00 0.00 O ATOM 1027 CB LEU A 69 0.549 12.733 -2.391 1.00 0.00 C ATOM 1028 CG LEU A 69 1.795 13.620 -2.419 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.625 13.439 -1.147 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.620 13.367 -3.683 1.00 0.00 C ATOM 0 H LEU A 69 -0.420 14.974 -2.757 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.028 12.716 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.070 12.843 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.865 11.693 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 69 1.473 14.661 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.505 14.081 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.024 13.709 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.939 12.399 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.500 14.010 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.933 12.323 -3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.015 13.587 -4.563 1.00 0.00 H new ATOM 1042 N MET A 70 -2.566 12.536 -2.336 1.00 0.00 N ATOM 1043 CA MET A 70 -3.811 11.832 -2.079 1.00 0.00 C ATOM 1044 C MET A 70 -4.929 12.811 -1.714 1.00 0.00 C ATOM 1045 O MET A 70 -4.687 13.813 -1.044 1.00 0.00 O ATOM 1046 CB MET A 70 -3.608 10.838 -0.934 1.00 0.00 C ATOM 1047 CG MET A 70 -4.911 10.107 -0.605 1.00 0.00 C ATOM 1048 SD MET A 70 -4.665 9.016 0.785 1.00 0.00 S ATOM 1049 CE MET A 70 -6.339 8.448 1.034 1.00 0.00 C ATOM 0 H MET A 70 -2.374 13.309 -1.699 1.00 0.00 H new ATOM 0 HA MET A 70 -4.101 11.301 -2.986 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.840 10.114 -1.208 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.249 11.365 -0.050 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.695 10.829 -0.377 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.246 9.536 -1.471 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.448 8.071 2.051 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.031 9.276 0.878 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.562 7.650 0.325 1.00 0.00 H new ATOM 1059 N GLU A 71 -6.129 12.485 -2.172 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.285 13.323 -1.902 1.00 0.00 C ATOM 1061 C GLU A 71 -8.555 12.668 -2.451 1.00 0.00 C ATOM 1062 O GLU A 71 -8.497 11.905 -3.413 1.00 0.00 O ATOM 1063 CB GLU A 71 -7.095 14.725 -2.486 1.00 0.00 C ATOM 1064 CG GLU A 71 -8.129 15.700 -1.918 1.00 0.00 C ATOM 1065 CD GLU A 71 -9.243 15.969 -2.932 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -9.910 14.984 -3.316 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -9.402 17.153 -3.299 1.00 0.00 O ATOM 0 H GLU A 71 -6.326 11.653 -2.728 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.390 13.426 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.090 15.083 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.185 14.686 -3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.556 15.290 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.642 16.638 -1.650 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.671 12.991 -1.814 1.00 0.00 N ATOM 1075 CA GLY A 72 -10.952 12.444 -2.227 1.00 0.00 C ATOM 1076 C GLY A 72 -11.813 12.088 -1.012 1.00 0.00 C ATOM 1077 O GLY A 72 -11.292 11.878 0.082 1.00 0.00 O ATOM 0 H GLY A 72 -9.715 13.624 -1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.477 13.168 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.792 11.555 -2.837 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.116 12.032 -1.247 1.00 0.00 N ATOM 1082 CA LYS A 73 -14.053 11.705 -0.186 1.00 0.00 C ATOM 1083 C LYS A 73 -13.871 10.240 0.217 1.00 0.00 C ATOM 1084 O LYS A 73 -13.689 9.376 -0.639 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.482 12.054 -0.608 1.00 0.00 C ATOM 1086 CG LYS A 73 -15.935 11.185 -1.783 1.00 0.00 C ATOM 1087 CD LYS A 73 -16.668 12.022 -2.833 1.00 0.00 C ATOM 1088 CE LYS A 73 -18.112 11.546 -3.002 1.00 0.00 C ATOM 1089 NZ LYS A 73 -18.695 12.090 -4.249 1.00 0.00 N ATOM 0 H LYS A 73 -13.544 12.207 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.850 12.307 0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -16.158 11.913 0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.536 13.106 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.070 10.702 -2.237 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.590 10.392 -1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.659 13.071 -2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.145 11.955 -3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.142 10.457 -3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.708 11.863 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.675 11.757 -4.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.684 13.129 -4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.136 11.766 -5.064 1.00 0.00 H new ATOM 1103 N LEU A 74 -13.927 10.007 1.520 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.770 8.661 2.046 1.00 0.00 C ATOM 1105 C LEU A 74 -15.082 7.894 1.871 1.00 0.00 C ATOM 1106 O LEU A 74 -16.078 8.455 1.415 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.272 8.706 3.492 1.00 0.00 C ATOM 1108 CG LEU A 74 -11.962 9.461 3.727 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -11.841 9.907 5.185 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -10.761 8.625 3.281 1.00 0.00 C ATOM 0 H LEU A 74 -14.079 10.727 2.227 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.007 8.120 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.047 9.162 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.146 7.682 3.844 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.972 10.363 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.901 10.441 5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.673 10.565 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.862 9.033 5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.842 9.184 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.735 7.694 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.849 8.400 2.218 1.00 0.00 H new ATOM 1122 N THR A 75 -15.042 6.623 2.243 1.00 0.00 N ATOM 1123 CA THR A 75 -16.215 5.773 2.133 1.00 0.00 C ATOM 1124 C THR A 75 -17.120 5.953 3.353 1.00 0.00 C ATOM 1125 O THR A 75 -18.342 5.858 3.243 1.00 0.00 O ATOM 1126 CB THR A 75 -15.739 4.332 1.937 1.00 0.00 C ATOM 1127 OG1 THR A 75 -14.942 4.071 3.089 1.00 0.00 O ATOM 1128 CG2 THR A 75 -14.761 4.193 0.768 1.00 0.00 C ATOM 0 H THR A 75 -14.215 6.161 2.621 1.00 0.00 H new ATOM 0 HA THR A 75 -16.824 6.049 1.272 1.00 0.00 H new ATOM 0 HB THR A 75 -16.600 3.684 1.769 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.113 3.625 2.819 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.454 3.151 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.247 4.514 -0.153 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.884 4.814 0.951 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.486 6.210 4.488 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.219 6.404 5.727 1.00 0.00 C ATOM 1138 C HIS A 76 -16.619 7.581 6.499 1.00 0.00 C ATOM 1139 O HIS A 76 -15.741 8.278 5.992 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.252 5.113 6.547 1.00 0.00 C ATOM 1141 CG HIS A 76 -18.255 4.097 6.053 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -19.621 4.260 6.201 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -18.076 2.907 5.413 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -20.228 3.209 5.670 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -19.268 2.370 5.183 1.00 0.00 N ATOM 0 H HIS A 76 -15.473 6.288 4.575 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.257 6.651 5.504 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.259 4.663 6.537 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.480 5.359 7.584 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.125 2.474 5.139 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.295 3.045 5.630 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -19.438 1.478 4.719 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.118 7.767 7.712 1.00 0.00 N ATOM 1154 CA LYS A 77 -16.642 8.848 8.559 1.00 0.00 C ATOM 1155 C LYS A 77 -15.470 8.348 9.407 1.00 0.00 C ATOM 1156 O LYS A 77 -15.196 7.150 9.448 1.00 0.00 O ATOM 1157 CB LYS A 77 -17.793 9.429 9.383 1.00 0.00 C ATOM 1158 CG LYS A 77 -18.782 10.180 8.489 1.00 0.00 C ATOM 1159 CD LYS A 77 -19.673 11.108 9.317 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.014 12.380 8.538 1.00 0.00 C ATOM 1161 NZ LYS A 77 -21.480 12.567 8.467 1.00 0.00 N ATOM 0 H LYS A 77 -17.847 7.188 8.129 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.268 9.672 7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.310 8.626 9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.397 10.104 10.142 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.237 10.761 7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.400 9.466 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.591 10.588 9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.167 11.371 10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.554 13.243 9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.600 12.319 7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.694 13.435 7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.911 11.751 7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.867 12.647 9.429 1.00 0.00 H new ATOM 1175 N ILE A 78 -14.810 9.292 10.062 1.00 0.00 N ATOM 1176 CA ILE A 78 -13.674 8.962 10.906 1.00 0.00 C ATOM 1177 C ILE A 78 -13.599 9.959 12.064 1.00 0.00 C ATOM 1178 O ILE A 78 -14.161 11.051 11.986 1.00 0.00 O ATOM 1179 CB ILE A 78 -12.392 8.888 10.074 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.072 10.242 9.437 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -12.479 7.771 9.032 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.024 10.998 10.256 1.00 0.00 C ATOM 0 H ILE A 78 -15.040 10.285 10.025 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.799 7.972 11.344 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.566 8.643 10.741 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.707 10.093 8.421 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.982 10.838 9.364 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.555 7.740 8.454 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.625 6.815 9.535 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.319 7.961 8.364 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.814 11.957 9.782 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.402 11.167 11.264 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.108 10.410 10.306 1.00 0.00 H new ATOM 1194 N ASN A 79 -12.899 9.549 13.111 1.00 0.00 N ATOM 1195 CA ASN A 79 -12.743 10.392 14.284 1.00 0.00 C ATOM 1196 C ASN A 79 -11.547 11.324 14.081 1.00 0.00 C ATOM 1197 O ASN A 79 -10.443 11.031 14.536 1.00 0.00 O ATOM 1198 CB ASN A 79 -12.480 9.552 15.536 1.00 0.00 C ATOM 1199 CG ASN A 79 -13.762 8.866 16.014 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -14.812 9.474 16.141 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -13.617 7.570 16.272 1.00 0.00 N ATOM 0 H ASN A 79 -12.433 8.644 13.172 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.665 10.958 14.417 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.719 8.801 15.322 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.086 10.188 16.329 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.414 7.023 16.598 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.709 7.123 16.144 1.00 0.00 H new ATOM 1208 N THR A 80 -11.807 12.428 13.396 1.00 0.00 N ATOM 1209 CA THR A 80 -10.766 13.405 13.127 1.00 0.00 C ATOM 1210 C THR A 80 -10.043 13.784 14.421 1.00 0.00 C ATOM 1211 O THR A 80 -8.916 14.276 14.385 1.00 0.00 O ATOM 1212 CB THR A 80 -11.409 14.599 12.419 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.574 14.875 13.192 1.00 0.00 O ATOM 1214 CG2 THR A 80 -11.957 14.234 11.037 1.00 0.00 C ATOM 0 H THR A 80 -12.724 12.667 13.019 1.00 0.00 H new ATOM 0 HA THR A 80 -9.999 12.994 12.471 1.00 0.00 H new ATOM 0 HB THR A 80 -10.676 15.400 12.320 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.051 15.638 12.804 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.402 15.116 10.578 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.145 13.868 10.408 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.714 13.457 11.140 1.00 0.00 H new ATOM 1222 N GLU A 81 -10.721 13.541 15.533 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.157 13.850 16.836 1.00 0.00 C ATOM 1224 C GLU A 81 -9.106 12.807 17.221 1.00 0.00 C ATOM 1225 O GLU A 81 -8.055 13.150 17.760 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.253 13.943 17.900 1.00 0.00 C ATOM 1227 CG GLU A 81 -10.677 13.728 19.301 1.00 0.00 C ATOM 1228 CD GLU A 81 -11.279 14.719 20.299 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -12.431 14.475 20.716 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -10.572 15.699 20.622 1.00 0.00 O ATOM 0 H GLU A 81 -11.656 13.134 15.559 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.670 14.823 16.777 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.734 14.919 17.847 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.022 13.197 17.701 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.879 12.708 19.629 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.594 13.846 19.275 1.00 0.00 H new ATOM 1237 N SER A 82 -9.426 11.555 16.929 1.00 0.00 N ATOM 1238 CA SER A 82 -8.523 10.460 17.238 1.00 0.00 C ATOM 1239 C SER A 82 -7.592 10.199 16.051 1.00 0.00 C ATOM 1240 O SER A 82 -6.623 9.451 16.171 1.00 0.00 O ATOM 1241 CB SER A 82 -9.298 9.190 17.594 1.00 0.00 C ATOM 1242 OG SER A 82 -9.036 8.762 18.927 1.00 0.00 O ATOM 0 H SER A 82 -10.299 11.275 16.481 1.00 0.00 H new ATOM 0 HA SER A 82 -7.926 10.743 18.105 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.366 9.371 17.475 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.030 8.395 16.898 1.00 0.00 H new ATOM 0 HG SER A 82 -9.550 7.950 19.117 1.00 0.00 H new ATOM 1248 N SER A 83 -7.920 10.830 14.933 1.00 0.00 N ATOM 1249 CA SER A 83 -7.126 10.675 13.726 1.00 0.00 C ATOM 1250 C SER A 83 -6.011 11.722 13.696 1.00 0.00 C ATOM 1251 O SER A 83 -6.280 12.922 13.717 1.00 0.00 O ATOM 1252 CB SER A 83 -7.998 10.791 12.475 1.00 0.00 C ATOM 1253 OG SER A 83 -9.137 9.938 12.537 1.00 0.00 O ATOM 0 H SER A 83 -8.725 11.450 14.838 1.00 0.00 H new ATOM 0 HA SER A 83 -6.681 9.680 13.734 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.325 11.824 12.356 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.405 10.541 11.595 1.00 0.00 H new ATOM 0 HG SER A 83 -9.528 9.979 13.435 1.00 0.00 H new ATOM 1259 N LEU A 84 -4.781 11.230 13.646 1.00 0.00 N ATOM 1260 CA LEU A 84 -3.625 12.109 13.612 1.00 0.00 C ATOM 1261 C LEU A 84 -2.904 11.944 12.272 1.00 0.00 C ATOM 1262 O LEU A 84 -3.322 11.150 11.432 1.00 0.00 O ATOM 1263 CB LEU A 84 -2.728 11.862 14.827 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.526 10.398 15.225 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -1.780 9.631 14.131 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -1.825 10.290 16.580 1.00 0.00 C ATOM 0 H LEU A 84 -4.561 10.234 13.628 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.937 13.151 13.681 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.751 12.302 14.628 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.150 12.395 15.679 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.507 9.934 15.332 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.649 8.593 14.439 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.355 9.666 13.206 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.803 10.087 13.968 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.694 9.239 16.839 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.850 10.775 16.525 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.431 10.779 17.343 1.00 0.00 H new ATOM 1278 N TRP A 85 -1.832 12.707 12.116 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.049 12.656 10.893 1.00 0.00 C ATOM 1280 C TRP A 85 0.339 13.222 11.196 1.00 0.00 C ATOM 1281 O TRP A 85 0.461 14.329 11.719 1.00 0.00 O ATOM 1282 CB TRP A 85 -1.760 13.392 9.755 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.286 14.832 9.554 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -1.825 15.955 10.048 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.146 15.262 8.780 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.120 17.073 9.651 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.066 16.638 8.855 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.787 14.513 8.041 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.930 17.384 8.214 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.776 15.274 7.406 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.870 16.659 7.472 1.00 0.00 C ATOM 0 H TRP A 85 -1.487 13.364 12.816 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.938 11.628 10.549 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.610 12.838 8.828 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -2.832 13.397 9.953 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -2.702 15.982 10.678 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.333 18.040 9.896 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.744 13.436 7.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.971 18.461 8.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.518 14.748 6.824 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.665 17.174 6.953 1.00 0.00 H new ATOM 1302 N SER A 86 1.351 12.438 10.855 1.00 0.00 N ATOM 1303 CA SER A 86 2.726 12.848 11.085 1.00 0.00 C ATOM 1304 C SER A 86 3.483 12.907 9.757 1.00 0.00 C ATOM 1305 O SER A 86 3.182 12.153 8.832 1.00 0.00 O ATOM 1306 CB SER A 86 3.430 11.897 12.055 1.00 0.00 C ATOM 1307 OG SER A 86 3.025 12.113 13.404 1.00 0.00 O ATOM 0 H SER A 86 1.246 11.521 10.421 1.00 0.00 H new ATOM 0 HA SER A 86 2.716 13.841 11.535 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.215 10.866 11.773 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.509 12.031 11.975 1.00 0.00 H new ATOM 0 HG SER A 86 3.496 11.485 13.991 1.00 0.00 H new ATOM 1313 N LEU A 87 4.451 13.811 9.703 1.00 0.00 N ATOM 1314 CA LEU A 87 5.253 13.979 8.504 1.00 0.00 C ATOM 1315 C LEU A 87 6.644 13.387 8.739 1.00 0.00 C ATOM 1316 O LEU A 87 7.198 13.508 9.830 1.00 0.00 O ATOM 1317 CB LEU A 87 5.274 15.447 8.074 1.00 0.00 C ATOM 1318 CG LEU A 87 6.329 15.826 7.033 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.701 16.009 7.686 1.00 0.00 C ATOM 1320 CD2 LEU A 87 6.368 14.806 5.894 1.00 0.00 C ATOM 0 H LEU A 87 4.697 14.435 10.471 1.00 0.00 H new ATOM 0 HA LEU A 87 4.810 13.433 7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.292 15.703 7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.429 16.062 8.960 1.00 0.00 H new ATOM 0 HG LEU A 87 6.049 16.785 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.433 16.278 6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.646 16.801 8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.002 15.078 8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.126 15.100 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.611 13.822 6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.394 14.768 5.406 1.00 0.00 H new ATOM 1332 N GLU A 88 7.169 12.759 7.697 1.00 0.00 N ATOM 1333 CA GLU A 88 8.485 12.149 7.776 1.00 0.00 C ATOM 1334 C GLU A 88 9.399 12.713 6.686 1.00 0.00 C ATOM 1335 O GLU A 88 8.995 12.827 5.530 1.00 0.00 O ATOM 1336 CB GLU A 88 8.390 10.625 7.676 1.00 0.00 C ATOM 1337 CG GLU A 88 7.510 10.057 8.791 1.00 0.00 C ATOM 1338 CD GLU A 88 8.201 8.885 9.492 1.00 0.00 C ATOM 1339 OE1 GLU A 88 9.246 9.142 10.128 1.00 0.00 O ATOM 1340 OE2 GLU A 88 7.669 7.760 9.376 1.00 0.00 O ATOM 0 H GLU A 88 6.706 12.660 6.793 1.00 0.00 H new ATOM 0 HA GLU A 88 8.918 12.391 8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.980 10.345 6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.387 10.190 7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.287 10.839 9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.558 9.727 8.375 1.00 0.00 H new ATOM 1347 N PRO A 89 10.646 13.061 7.105 1.00 0.00 N ATOM 1348 CA PRO A 89 11.620 13.611 6.178 1.00 0.00 C ATOM 1349 C PRO A 89 12.191 12.519 5.271 1.00 0.00 C ATOM 1350 O PRO A 89 12.784 11.555 5.752 1.00 0.00 O ATOM 1351 CB PRO A 89 12.674 14.264 7.056 1.00 0.00 C ATOM 1352 CG PRO A 89 12.498 13.658 8.439 1.00 0.00 C ATOM 1353 CD PRO A 89 11.159 12.940 8.466 1.00 0.00 C ATOM 0 HA PRO A 89 11.184 14.339 5.493 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.676 14.074 6.671 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.543 15.346 7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.309 12.963 8.657 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.530 14.435 9.203 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.276 11.895 8.754 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.480 13.395 9.187 1.00 0.00 H new ATOM 1361 N GLY A 90 11.992 12.707 3.974 1.00 0.00 N ATOM 1362 CA GLY A 90 12.480 11.750 2.996 1.00 0.00 C ATOM 1363 C GLY A 90 11.951 10.345 3.292 1.00 0.00 C ATOM 1364 O GLY A 90 12.712 9.378 3.287 1.00 0.00 O ATOM 0 H GLY A 90 11.500 13.508 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.170 12.056 1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.570 11.741 3.003 1.00 0.00 H new ATOM 1368 N LYS A 91 10.652 10.277 3.543 1.00 0.00 N ATOM 1369 CA LYS A 91 10.013 9.006 3.841 1.00 0.00 C ATOM 1370 C LYS A 91 8.608 8.993 3.237 1.00 0.00 C ATOM 1371 O LYS A 91 8.448 8.807 2.032 1.00 0.00 O ATOM 1372 CB LYS A 91 10.038 8.734 5.347 1.00 0.00 C ATOM 1373 CG LYS A 91 11.321 8.005 5.751 1.00 0.00 C ATOM 1374 CD LYS A 91 11.062 6.510 5.951 1.00 0.00 C ATOM 1375 CE LYS A 91 10.871 6.181 7.433 1.00 0.00 C ATOM 1376 NZ LYS A 91 9.807 5.166 7.605 1.00 0.00 N ATOM 0 H LYS A 91 10.024 11.081 3.546 1.00 0.00 H new ATOM 0 HA LYS A 91 10.565 8.185 3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.963 9.675 5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.172 8.135 5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.081 8.147 4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.714 8.436 6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.175 6.213 5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.898 5.936 5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.806 5.811 7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.611 7.086 7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.690 4.954 8.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.912 5.533 7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.070 4.297 7.097 1.00 0.00 H new ATOM 1390 N CYS A 92 7.624 9.194 4.103 1.00 0.00 N ATOM 1391 CA CYS A 92 6.238 9.207 3.670 1.00 0.00 C ATOM 1392 C CYS A 92 5.396 9.848 4.774 1.00 0.00 C ATOM 1393 O CYS A 92 5.875 10.044 5.890 1.00 0.00 O ATOM 1394 CB CYS A 92 5.742 7.804 3.316 1.00 0.00 C ATOM 1395 SG CYS A 92 6.451 6.578 4.475 1.00 0.00 S ATOM 0 H CYS A 92 7.760 9.349 5.102 1.00 0.00 H new ATOM 0 HA CYS A 92 6.146 9.794 2.756 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.653 7.772 3.361 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.026 7.556 2.293 1.00 0.00 H new ATOM 0 HG CYS A 92 6.021 5.390 4.167 1.00 0.00 H new ATOM 1401 N VAL A 93 4.155 10.158 4.425 1.00 0.00 N ATOM 1402 CA VAL A 93 3.242 10.773 5.373 1.00 0.00 C ATOM 1403 C VAL A 93 2.401 9.685 6.044 1.00 0.00 C ATOM 1404 O VAL A 93 1.825 8.834 5.367 1.00 0.00 O ATOM 1405 CB VAL A 93 2.395 11.835 4.670 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.226 12.277 5.553 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.251 13.033 4.254 1.00 0.00 C ATOM 0 H VAL A 93 3.761 9.994 3.498 1.00 0.00 H new ATOM 0 HA VAL A 93 3.796 11.286 6.159 1.00 0.00 H new ATOM 0 HB VAL A 93 1.982 11.389 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.640 13.032 5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.594 11.418 5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.611 12.696 6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.624 13.773 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.707 13.479 5.138 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.033 12.702 3.571 1.00 0.00 H new ATOM 1417 N LEU A 94 2.357 9.747 7.367 1.00 0.00 N ATOM 1418 CA LEU A 94 1.596 8.778 8.137 1.00 0.00 C ATOM 1419 C LEU A 94 0.334 9.446 8.685 1.00 0.00 C ATOM 1420 O LEU A 94 0.406 10.514 9.292 1.00 0.00 O ATOM 1421 CB LEU A 94 2.474 8.142 9.216 1.00 0.00 C ATOM 1422 CG LEU A 94 1.923 6.872 9.868 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.742 7.195 10.785 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.559 5.828 8.811 1.00 0.00 C ATOM 0 H LEU A 94 2.836 10.454 7.925 1.00 0.00 H new ATOM 0 HA LEU A 94 1.270 7.956 7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.444 7.909 8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.648 8.882 9.998 1.00 0.00 H new ATOM 0 HG LEU A 94 2.706 6.440 10.491 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.369 6.275 11.236 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.067 7.878 11.570 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.053 7.662 10.204 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.170 4.935 9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.800 6.236 8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.447 5.568 8.235 1.00 0.00 H new ATOM 1436 N VAL A 95 -0.794 8.791 8.452 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.070 9.309 8.915 1.00 0.00 C ATOM 1438 C VAL A 95 -2.886 8.169 9.528 1.00 0.00 C ATOM 1439 O VAL A 95 -3.050 7.117 8.912 1.00 0.00 O ATOM 1440 CB VAL A 95 -2.796 10.014 7.768 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.147 10.565 8.231 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -1.928 11.122 7.168 1.00 0.00 C ATOM 0 H VAL A 95 -0.851 7.906 7.948 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.919 10.056 9.694 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.984 9.277 6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.643 11.061 7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.771 9.746 8.588 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.991 11.281 9.038 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.468 11.607 6.355 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.694 11.858 7.937 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.003 10.692 6.784 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.375 8.416 10.735 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.169 7.423 11.438 1.00 0.00 C ATOM 1454 C ASN A 96 -5.652 7.780 11.312 1.00 0.00 C ATOM 1455 O ASN A 96 -6.097 8.795 11.846 1.00 0.00 O ATOM 1456 CB ASN A 96 -3.816 7.388 12.926 1.00 0.00 C ATOM 1457 CG ASN A 96 -2.562 6.546 13.172 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -2.425 5.871 14.179 1.00 0.00 O ATOM 1459 ND2 ASN A 96 -1.659 6.623 12.199 1.00 0.00 N ATOM 0 H ASN A 96 -3.236 9.289 11.243 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.960 6.449 10.995 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.654 8.403 13.289 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.652 6.977 13.492 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.788 6.097 12.269 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.838 7.208 11.383 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.375 6.926 10.604 1.00 0.00 N ATOM 1467 CA LEU A 97 -7.798 7.139 10.401 1.00 0.00 C ATOM 1468 C LEU A 97 -8.585 6.230 11.347 1.00 0.00 C ATOM 1469 O LEU A 97 -8.528 5.006 11.229 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.163 6.955 8.927 1.00 0.00 C ATOM 1471 CG LEU A 97 -7.638 8.025 7.967 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -8.449 8.044 6.670 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -7.605 9.398 8.642 1.00 0.00 C ATOM 0 H LEU A 97 -6.002 6.085 10.163 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.068 8.166 10.646 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.788 5.985 8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.249 6.922 8.844 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.612 7.771 7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.055 8.813 6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.378 7.072 6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.493 8.260 6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.228 10.140 7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.612 9.674 8.956 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.951 9.359 9.513 1.00 0.00 H new ATOM 1485 N SER A 98 -9.302 6.862 12.265 1.00 0.00 N ATOM 1486 CA SER A 98 -10.099 6.126 13.230 1.00 0.00 C ATOM 1487 C SER A 98 -11.459 5.772 12.625 1.00 0.00 C ATOM 1488 O SER A 98 -12.006 6.534 11.829 1.00 0.00 O ATOM 1489 CB SER A 98 -10.285 6.930 14.519 1.00 0.00 C ATOM 1490 OG SER A 98 -9.490 6.419 15.586 1.00 0.00 O ATOM 0 H SER A 98 -9.347 7.877 12.360 1.00 0.00 H new ATOM 0 HA SER A 98 -9.569 5.207 13.480 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.022 7.972 14.338 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.336 6.912 14.809 1.00 0.00 H new ATOM 0 HG SER A 98 -10.004 6.448 16.420 1.00 0.00 H new ATOM 1496 N LYS A 99 -11.967 4.615 13.025 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.252 4.151 12.532 1.00 0.00 C ATOM 1498 C LYS A 99 -14.371 4.796 13.353 1.00 0.00 C ATOM 1499 O LYS A 99 -14.300 4.839 14.580 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.301 2.622 12.520 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.854 2.070 11.165 1.00 0.00 C ATOM 1502 CD LYS A 99 -13.457 0.686 10.911 1.00 0.00 C ATOM 1503 CE LYS A 99 -13.049 0.155 9.536 1.00 0.00 C ATOM 1504 NZ LYS A 99 -14.033 -0.840 9.052 1.00 0.00 N ATOM 0 H LYS A 99 -11.511 3.985 13.685 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.397 4.459 11.497 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.658 2.228 13.307 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.315 2.285 12.737 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.157 2.754 10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.766 2.008 11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.126 -0.006 11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.544 0.741 10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.978 0.980 8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.061 -0.301 9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.741 -1.191 8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.080 -1.635 9.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.970 -0.394 8.978 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.378 5.282 12.642 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.511 5.922 13.289 1.00 0.00 C ATOM 1520 C VAL A 100 -17.775 5.103 13.023 1.00 0.00 C ATOM 1521 O VAL A 100 -18.443 5.296 12.008 1.00 0.00 O ATOM 1522 CB VAL A 100 -16.629 7.374 12.819 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -18.023 7.933 13.114 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -15.543 8.245 13.453 1.00 0.00 C ATOM 0 H VAL A 100 -15.433 5.245 11.624 1.00 0.00 H new ATOM 0 HA VAL A 100 -16.367 5.954 14.369 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.483 7.390 11.739 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -18.081 8.966 12.771 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -18.772 7.335 12.595 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -18.210 7.897 14.187 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -15.649 9.272 13.103 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -15.644 8.220 14.538 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -14.561 7.865 13.171 1.00 0.00 H new ATOM 1534 N GLY A 101 -18.066 4.204 13.952 1.00 0.00 N ATOM 1535 CA GLY A 101 -19.238 3.355 13.831 1.00 0.00 C ATOM 1536 C GLY A 101 -18.944 2.137 12.952 1.00 0.00 C ATOM 1537 O GLY A 101 -18.111 2.205 12.050 1.00 0.00 O ATOM 0 H GLY A 101 -17.510 4.045 14.792 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -19.557 3.026 14.820 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -20.063 3.926 13.404 1.00 0.00 H new ATOM 1541 N GLU A 102 -19.645 1.052 13.247 1.00 0.00 N ATOM 1542 CA GLU A 102 -19.469 -0.179 12.495 1.00 0.00 C ATOM 1543 C GLU A 102 -19.966 0.000 11.059 1.00 0.00 C ATOM 1544 O GLU A 102 -21.151 -0.177 10.782 1.00 0.00 O ATOM 1545 CB GLU A 102 -20.183 -1.347 13.180 1.00 0.00 C ATOM 1546 CG GLU A 102 -21.657 -1.019 13.428 1.00 0.00 C ATOM 1547 CD GLU A 102 -22.552 -2.201 13.050 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -22.533 -2.569 11.856 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -23.236 -2.709 13.965 1.00 0.00 O ATOM 0 H GLU A 102 -20.335 1.000 13.996 1.00 0.00 H new ATOM 0 HA GLU A 102 -18.405 -0.413 12.464 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -20.105 -2.240 12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -19.693 -1.573 14.127 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -21.806 -0.767 14.478 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -21.941 -0.142 12.846 1.00 0.00 H new ATOM 1556 N TYR A 103 -19.034 0.351 10.185 1.00 0.00 N ATOM 1557 CA TYR A 103 -19.363 0.556 8.784 1.00 0.00 C ATOM 1558 C TYR A 103 -18.413 -0.230 7.878 1.00 0.00 C ATOM 1559 O TYR A 103 -17.294 -0.550 8.274 1.00 0.00 O ATOM 1560 CB TYR A 103 -19.176 2.052 8.523 1.00 0.00 C ATOM 1561 CG TYR A 103 -20.367 2.912 8.953 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -21.566 2.818 8.276 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -20.241 3.781 10.017 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -22.686 3.627 8.681 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -21.362 4.590 10.422 1.00 0.00 C ATOM 1566 CZ TYR A 103 -22.529 4.473 9.734 1.00 0.00 C ATOM 1567 OH TYR A 103 -23.587 5.238 10.116 1.00 0.00 O ATOM 0 H TYR A 103 -18.052 0.499 10.419 1.00 0.00 H new ATOM 0 HA TYR A 103 -20.378 0.218 8.574 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -18.285 2.394 9.050 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -18.996 2.205 7.459 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -21.664 2.138 7.443 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -19.302 3.855 10.546 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -23.630 3.563 8.160 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -21.277 5.274 11.253 1.00 0.00 H new ATOM 0 HH TYR A 103 -23.330 5.793 10.882 1.00 0.00 H new ATOM 1577 N TRP A 104 -18.896 -0.518 6.678 1.00 0.00 N ATOM 1578 CA TRP A 104 -18.104 -1.260 5.711 1.00 0.00 C ATOM 1579 C TRP A 104 -17.285 -0.255 4.899 1.00 0.00 C ATOM 1580 O TRP A 104 -17.846 0.575 4.185 1.00 0.00 O ATOM 1581 CB TRP A 104 -18.994 -2.149 4.841 1.00 0.00 C ATOM 1582 CG TRP A 104 -18.319 -3.440 4.374 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -17.273 -3.572 3.546 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -18.687 -4.785 4.745 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -16.942 -4.898 3.357 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -17.829 -5.659 4.109 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -19.711 -5.249 5.589 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -17.907 -7.050 4.251 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -19.776 -6.641 5.720 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -18.920 -7.534 5.087 1.00 0.00 C ATOM 0 H TRP A 104 -19.825 -0.251 6.353 1.00 0.00 H new ATOM 0 HA TRP A 104 -17.418 -1.940 6.215 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -19.894 -2.404 5.401 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -19.313 -1.581 3.967 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.755 -2.744 3.085 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -16.186 -5.254 2.773 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -20.394 -4.584 6.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.223 -7.713 3.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -20.546 -7.050 6.358 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -19.036 -8.597 5.239 1.00 0.00 H new ATOM 1601 N TRP A 105 -15.972 -0.363 5.035 1.00 0.00 N ATOM 1602 CA TRP A 105 -15.070 0.526 4.322 1.00 0.00 C ATOM 1603 C TRP A 105 -14.707 -0.136 2.992 1.00 0.00 C ATOM 1604 O TRP A 105 -15.205 0.261 1.940 1.00 0.00 O ATOM 1605 CB TRP A 105 -13.846 0.865 5.175 1.00 0.00 C ATOM 1606 CG TRP A 105 -14.055 2.049 6.121 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -14.839 2.111 7.206 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.436 3.349 6.020 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.771 3.349 7.810 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -13.890 4.127 7.066 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.522 3.851 5.077 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -13.486 5.452 7.268 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.128 5.177 5.293 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -12.576 5.973 6.341 1.00 0.00 C ATOM 0 H TRP A 105 -15.511 -1.053 5.628 1.00 0.00 H new ATOM 0 HA TRP A 105 -15.553 1.481 4.115 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -13.571 -0.011 5.762 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -13.006 1.084 4.516 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -15.448 1.294 7.563 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -15.274 3.640 8.648 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -12.153 3.261 4.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -13.856 6.040 8.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -11.427 5.612 4.596 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -12.223 6.989 6.439 1.00 0.00 H new ATOM 1625 N ASN A 106 -13.841 -1.135 3.081 1.00 0.00 N ATOM 1626 CA ASN A 106 -13.404 -1.856 1.898 1.00 0.00 C ATOM 1627 C ASN A 106 -12.352 -1.027 1.159 1.00 0.00 C ATOM 1628 O ASN A 106 -11.263 -1.517 0.867 1.00 0.00 O ATOM 1629 CB ASN A 106 -14.572 -2.100 0.940 1.00 0.00 C ATOM 1630 CG ASN A 106 -14.625 -3.565 0.502 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -13.905 -4.415 0.999 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -15.516 -3.812 -0.454 1.00 0.00 N ATOM 0 H ASN A 106 -13.430 -1.462 3.955 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.994 -2.813 2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.509 -1.828 1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.469 -1.459 0.065 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.628 -4.760 -0.814 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.088 -3.054 -0.827 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.715 0.216 0.878 1.00 0.00 N ATOM 1640 CA ALA A 107 -11.816 1.119 0.179 1.00 0.00 C ATOM 1641 C ALA A 107 -11.712 2.432 0.957 1.00 0.00 C ATOM 1642 O ALA A 107 -12.566 2.734 1.790 1.00 0.00 O ATOM 1643 CB ALA A 107 -12.314 1.327 -1.253 1.00 0.00 C ATOM 0 H ALA A 107 -13.620 0.619 1.122 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.815 0.693 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.640 2.004 -1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.342 0.369 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.316 1.757 -1.231 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.658 3.178 0.659 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.431 4.451 1.320 1.00 0.00 C ATOM 1651 C ILE A 108 -11.352 5.510 0.708 1.00 0.00 C ATOM 1652 O ILE A 108 -12.160 6.115 1.411 1.00 0.00 O ATOM 1653 CB ILE A 108 -8.948 4.824 1.271 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.096 3.780 1.996 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.718 6.233 1.820 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.153 3.982 3.511 1.00 0.00 C ATOM 0 H ILE A 108 -9.952 2.924 -0.032 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.683 4.381 2.378 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.632 4.830 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.449 2.780 1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.063 3.848 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.656 6.473 1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.279 6.952 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.056 6.280 2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.539 3.227 4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.777 4.974 3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.184 3.889 3.852 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.198 5.700 -0.594 1.00 0.00 N ATOM 1669 CA LEU A 109 -12.005 6.675 -1.308 1.00 0.00 C ATOM 1670 C LEU A 109 -13.104 5.949 -2.085 1.00 0.00 C ATOM 1671 O LEU A 109 -13.005 4.748 -2.332 1.00 0.00 O ATOM 1672 CB LEU A 109 -11.120 7.567 -2.181 1.00 0.00 C ATOM 1673 CG LEU A 109 -9.962 8.267 -1.468 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.136 9.100 -2.450 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.468 9.103 -0.291 1.00 0.00 C ATOM 0 H LEU A 109 -10.527 5.196 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.500 7.347 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.710 6.960 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.749 8.328 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.301 7.503 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.319 9.587 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.728 8.451 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.772 9.857 -2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.625 9.590 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.163 9.860 -0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.977 8.456 0.423 1.00 0.00 H new ATOM 1687 N GLU A 110 -14.128 6.708 -2.450 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.244 6.152 -3.194 1.00 0.00 C ATOM 1689 C GLU A 110 -14.863 5.967 -4.664 1.00 0.00 C ATOM 1690 O GLU A 110 -15.521 5.224 -5.391 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.488 7.033 -3.057 1.00 0.00 C ATOM 1692 CG GLU A 110 -17.456 6.458 -2.022 1.00 0.00 C ATOM 1693 CD GLU A 110 -18.745 5.972 -2.687 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -18.632 5.099 -3.575 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -19.815 6.485 -2.294 1.00 0.00 O ATOM 0 H GLU A 110 -14.207 7.704 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.483 5.175 -2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -16.194 8.041 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -16.988 7.115 -4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -16.981 5.631 -1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -17.691 7.218 -1.277 1.00 0.00 H new