USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 949 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 115 ASN : amide:sc= -3.63 K(o=-6.4,f=-9.3!) USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= 0.0414 USER MOD Set 1.3: A 131 GLN : amide:sc= -2.86! K(o=-6.4!,f=-5.4) USER MOD Set 2.1: A 47 HIS : no HD1:sc= -1.4 K(o=-2.3,f=-6.7!) USER MOD Set 2.2: A 78 ASN : amide:sc= -0.925! K(o=-2.3!,f=-0.92) USER MOD Set 3.1: A 24 HIS : no HE2:sc= -12.5! C(o=-23!,f=-25!) USER MOD Set 3.2: A 73 ASN : amide:sc= -8.19! C(o=-23!,f=-32!) USER MOD Set 3.3: A 136 MET CE :methyl 153:sc= -2.2 (180deg=-3.36!) USER MOD Single : A 22 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.025) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -117:sc= -1.2 (180deg=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ -117:sc= -0.37 (180deg=-0.67) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.0654) USER MOD Single : A 58 LYS NZ :NH3+ -135:sc= -1.62 (180deg=-5.04!) USER MOD Single : A 60 LYS NZ :NH3+ -120:sc= -1.46! (180deg=-3.32!) USER MOD Single : A 64 SER OG : rot 120:sc= -3.69! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 68 SER OG : rot -120:sc= 1.11 USER MOD Single : A 71 SER OG : rot -150:sc= -0.496 USER MOD Single : A 72 HIS : no HD1:sc= -0.225 X(o=-0.22,f=0.047) USER MOD Single : A 76 MET CE :methyl -107:sc= -3.11! (180deg=-7.04!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -52:sc= 0.249 USER MOD Single : A 96 TYR OH : rot 164:sc= -1.38! USER MOD Single : A 106 SER OG : rot 54:sc= 1.15 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-2.2!) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc=-0.000165 X(o=-0.00016,f=-0.22) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -153:sc= 2.2 (180deg=-0.518) USER MOD Single : A 124 TYR OH : rot -30:sc= -2.99 USER MOD Single : A 126 TYR OH : rot 90:sc= -0.743 USER MOD Single : A 128 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 134 GLN : amide:sc= -1.69! K(o=-1.7!,f=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.2) USER MOD Single : A 144 THR OG1 : rot -153:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 308 N HIS A 22 -9.313 -0.404 -10.250 1.00 0.00 N ATOM 309 CA HIS A 22 -9.643 -0.808 -8.880 1.00 0.00 C ATOM 310 C HIS A 22 -8.368 -1.149 -8.113 1.00 0.00 C ATOM 311 O HIS A 22 -8.135 -0.662 -7.011 1.00 0.00 O ATOM 312 CB HIS A 22 -10.588 -2.013 -8.883 1.00 0.00 C ATOM 313 CG HIS A 22 -11.603 -1.984 -9.985 1.00 0.00 C ATOM 314 ND1 HIS A 22 -12.932 -1.678 -9.777 1.00 0.00 N ATOM 315 CD2 HIS A 22 -11.480 -2.230 -11.311 1.00 0.00 C ATOM 316 CE1 HIS A 22 -13.581 -1.737 -10.927 1.00 0.00 C ATOM 317 NE2 HIS A 22 -12.721 -2.070 -11.873 1.00 0.00 N ATOM 0 HA HIS A 22 -10.145 0.025 -8.388 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.998 -2.925 -8.969 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.107 -2.058 -7.925 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.573 -2.502 -11.830 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -14.634 -1.546 -11.069 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -12.944 -2.189 -12.861 1.00 0.00 H new ATOM 326 N ILE A 23 -7.544 -1.977 -8.741 1.00 0.00 N ATOM 327 CA ILE A 23 -6.251 -2.411 -8.204 1.00 0.00 C ATOM 328 C ILE A 23 -6.059 -2.154 -6.688 1.00 0.00 C ATOM 329 O ILE A 23 -6.693 -2.808 -5.844 1.00 0.00 O ATOM 330 CB ILE A 23 -5.117 -1.737 -9.004 1.00 0.00 C ATOM 331 CG1 ILE A 23 -5.389 -1.840 -10.503 1.00 0.00 C ATOM 332 CG2 ILE A 23 -3.774 -2.353 -8.663 1.00 0.00 C ATOM 333 CD1 ILE A 23 -4.396 -1.074 -11.350 1.00 0.00 C ATOM 0 H ILE A 23 -7.755 -2.376 -9.656 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.223 -3.495 -8.317 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.085 -0.683 -8.728 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.371 -2.890 -10.796 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.393 -1.468 -10.709 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.991 -1.861 -9.240 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.575 -2.226 -7.599 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.789 -3.416 -8.905 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.650 -1.191 -12.404 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.430 -0.017 -11.084 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.392 -1.461 -11.173 1.00 0.00 H new ATOM 345 N HIS A 24 -5.150 -1.227 -6.344 1.00 0.00 N ATOM 346 CA HIS A 24 -4.833 -0.920 -4.950 1.00 0.00 C ATOM 347 C HIS A 24 -5.801 0.096 -4.328 1.00 0.00 C ATOM 348 O HIS A 24 -5.403 0.904 -3.492 1.00 0.00 O ATOM 349 CB HIS A 24 -3.397 -0.401 -4.850 1.00 0.00 C ATOM 350 CG HIS A 24 -2.465 -1.007 -5.859 1.00 0.00 C ATOM 351 ND1 HIS A 24 -1.659 -0.256 -6.691 1.00 0.00 N ATOM 352 CD2 HIS A 24 -2.200 -2.303 -6.155 1.00 0.00 C ATOM 353 CE1 HIS A 24 -0.939 -1.066 -7.451 1.00 0.00 C ATOM 354 NE2 HIS A 24 -1.249 -2.311 -7.145 1.00 0.00 N ATOM 0 H HIS A 24 -4.622 -0.677 -7.021 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.940 -1.846 -4.385 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.402 0.682 -4.977 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.016 -0.603 -3.849 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -1.624 0.763 -6.716 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.653 -3.169 -5.697 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.219 -0.759 -8.196 1.00 0.00 H new ATOM 363 N TRP A 25 -7.067 0.036 -4.731 1.00 0.00 N ATOM 364 CA TRP A 25 -8.102 0.938 -4.209 1.00 0.00 C ATOM 365 C TRP A 25 -9.482 0.296 -4.293 1.00 0.00 C ATOM 366 O TRP A 25 -10.460 0.842 -3.782 1.00 0.00 O ATOM 367 CB TRP A 25 -8.121 2.249 -4.997 1.00 0.00 C ATOM 368 CG TRP A 25 -7.370 2.145 -6.269 1.00 0.00 C ATOM 369 CD1 TRP A 25 -7.881 1.851 -7.489 1.00 0.00 C ATOM 370 CD2 TRP A 25 -5.966 2.313 -6.442 1.00 0.00 C ATOM 371 NE1 TRP A 25 -6.878 1.804 -8.415 1.00 0.00 N ATOM 372 CE2 TRP A 25 -5.687 2.098 -7.800 1.00 0.00 C ATOM 373 CE3 TRP A 25 -4.919 2.625 -5.576 1.00 0.00 C ATOM 374 CZ2 TRP A 25 -4.396 2.184 -8.313 1.00 0.00 C ATOM 375 CZ3 TRP A 25 -3.643 2.712 -6.080 1.00 0.00 C ATOM 376 CH2 TRP A 25 -3.387 2.494 -7.441 1.00 0.00 C ATOM 0 H TRP A 25 -7.408 -0.632 -5.423 1.00 0.00 H new ATOM 0 HA TRP A 25 -7.862 1.139 -3.165 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.153 2.530 -5.208 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -7.692 3.044 -4.387 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.927 1.679 -7.698 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.995 1.586 -9.404 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -5.107 2.796 -4.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.197 2.012 -9.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.825 2.952 -5.417 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.375 2.572 -7.809 1.00 0.00 H new ATOM 387 N ARG A 26 -9.558 -0.860 -4.952 1.00 0.00 N ATOM 388 CA ARG A 26 -10.813 -1.576 -5.120 1.00 0.00 C ATOM 389 C ARG A 26 -11.686 -1.504 -3.849 1.00 0.00 C ATOM 390 O ARG A 26 -12.908 -1.394 -3.947 1.00 0.00 O ATOM 391 CB ARG A 26 -10.520 -3.036 -5.508 1.00 0.00 C ATOM 392 CG ARG A 26 -11.695 -3.992 -5.372 1.00 0.00 C ATOM 393 CD ARG A 26 -12.779 -3.708 -6.393 1.00 0.00 C ATOM 394 NE ARG A 26 -13.648 -2.603 -5.993 1.00 0.00 N ATOM 395 CZ ARG A 26 -14.898 -2.752 -5.555 1.00 0.00 C ATOM 396 NH1 ARG A 26 -15.437 -3.960 -5.441 1.00 0.00 N ATOM 397 NH2 ARG A 26 -15.613 -1.685 -5.225 1.00 0.00 N ATOM 0 H ARG A 26 -8.755 -1.320 -5.380 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.380 -1.099 -5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.173 -3.058 -6.541 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.701 -3.402 -4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.344 -5.017 -5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.113 -3.913 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.318 -3.474 -7.353 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.381 -4.605 -6.539 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.273 -1.656 -6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.893 -4.787 -5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.395 -4.062 -5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.206 -0.753 -5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.570 -1.796 -4.890 1.00 0.00 H new ATOM 411 N THR A 27 -11.055 -1.547 -2.658 1.00 0.00 N ATOM 412 CA THR A 27 -11.776 -1.475 -1.374 1.00 0.00 C ATOM 413 C THR A 27 -10.978 -2.149 -0.259 1.00 0.00 C ATOM 414 O THR A 27 -10.500 -3.272 -0.412 1.00 0.00 O ATOM 415 CB THR A 27 -13.162 -2.129 -1.460 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.701 -2.325 -0.165 1.00 0.00 O ATOM 417 CG2 THR A 27 -13.154 -3.471 -2.158 1.00 0.00 C ATOM 0 H THR A 27 -10.043 -1.632 -2.561 1.00 0.00 H new ATOM 0 HA THR A 27 -11.901 -0.416 -1.146 1.00 0.00 H new ATOM 0 HB THR A 27 -13.769 -1.439 -2.046 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.585 -2.741 -0.238 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.166 -3.875 -2.182 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.787 -3.349 -3.177 1.00 0.00 H new ATOM 0 HG23 THR A 27 -12.502 -4.158 -1.618 1.00 0.00 H new ATOM 425 N LEU A 28 -10.849 -1.463 0.871 1.00 0.00 N ATOM 426 CA LEU A 28 -10.119 -2.004 2.012 1.00 0.00 C ATOM 427 C LEU A 28 -10.861 -3.189 2.627 1.00 0.00 C ATOM 428 O LEU A 28 -10.244 -4.114 3.159 1.00 0.00 O ATOM 429 CB LEU A 28 -9.908 -0.915 3.069 1.00 0.00 C ATOM 430 CG LEU A 28 -9.052 -1.321 4.273 1.00 0.00 C ATOM 431 CD1 LEU A 28 -9.862 -2.163 5.247 1.00 0.00 C ATOM 432 CD2 LEU A 28 -7.807 -2.073 3.822 1.00 0.00 C ATOM 0 H LEU A 28 -11.240 -0.533 1.022 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.149 -2.353 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.444 -0.053 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.884 -0.591 3.432 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.734 -0.413 4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.236 -2.441 6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.718 -1.588 5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.213 -3.064 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.214 -2.351 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.101 -2.972 3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.213 -1.434 3.168 1.00 0.00 H new ATOM 444 N GLU A 29 -12.189 -3.151 2.554 1.00 0.00 N ATOM 445 CA GLU A 29 -13.019 -4.217 3.109 1.00 0.00 C ATOM 446 C GLU A 29 -12.653 -5.575 2.520 1.00 0.00 C ATOM 447 O GLU A 29 -12.112 -6.436 3.215 1.00 0.00 O ATOM 448 CB GLU A 29 -14.501 -3.923 2.861 1.00 0.00 C ATOM 449 CG GLU A 29 -15.420 -4.510 3.919 1.00 0.00 C ATOM 450 CD GLU A 29 -16.204 -5.706 3.414 1.00 0.00 C ATOM 451 OE1 GLU A 29 -17.175 -5.502 2.656 1.00 0.00 O ATOM 452 OE2 GLU A 29 -15.848 -6.847 3.779 1.00 0.00 O ATOM 0 H GLU A 29 -12.714 -2.394 2.116 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.834 -4.253 4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.648 -2.844 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.784 -4.319 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.828 -4.808 4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.115 -3.742 4.258 1.00 0.00 H new ATOM 459 N ASP A 30 -12.950 -5.768 1.239 1.00 0.00 N ATOM 460 CA ASP A 30 -12.648 -7.031 0.574 1.00 0.00 C ATOM 461 C ASP A 30 -11.141 -7.274 0.515 1.00 0.00 C ATOM 462 O ASP A 30 -10.695 -8.394 0.265 1.00 0.00 O ATOM 463 CB ASP A 30 -13.241 -7.050 -0.837 1.00 0.00 C ATOM 464 CG ASP A 30 -14.446 -7.965 -0.941 1.00 0.00 C ATOM 465 OD1 ASP A 30 -15.515 -7.601 -0.407 1.00 0.00 O ATOM 466 OD2 ASP A 30 -14.322 -9.045 -1.557 1.00 0.00 O ATOM 0 H ASP A 30 -13.397 -5.071 0.643 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.101 -7.833 1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.530 -6.038 -1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.479 -7.375 -1.545 1.00 0.00 H new ATOM 471 N GLY A 31 -10.358 -6.222 0.751 1.00 0.00 N ATOM 472 CA GLY A 31 -8.913 -6.353 0.720 1.00 0.00 C ATOM 473 C GLY A 31 -8.405 -7.381 1.714 1.00 0.00 C ATOM 474 O GLY A 31 -7.665 -8.292 1.349 1.00 0.00 O ATOM 0 H GLY A 31 -10.699 -5.284 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.598 -6.636 -0.284 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.458 -5.386 0.936 1.00 0.00 H new ATOM 478 N LYS A 32 -8.802 -7.232 2.974 1.00 0.00 N ATOM 479 CA LYS A 32 -8.378 -8.158 4.020 1.00 0.00 C ATOM 480 C LYS A 32 -9.113 -9.491 3.901 1.00 0.00 C ATOM 481 O LYS A 32 -8.545 -10.548 4.173 1.00 0.00 O ATOM 482 CB LYS A 32 -8.618 -7.551 5.403 1.00 0.00 C ATOM 483 CG LYS A 32 -10.027 -7.009 5.596 1.00 0.00 C ATOM 484 CD LYS A 32 -10.755 -7.727 6.722 1.00 0.00 C ATOM 485 CE LYS A 32 -12.188 -8.060 6.334 1.00 0.00 C ATOM 486 NZ LYS A 32 -12.749 -9.166 7.161 1.00 0.00 N ATOM 0 H LYS A 32 -9.414 -6.482 3.295 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.311 -8.340 3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.422 -8.309 6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.903 -6.745 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.980 -5.942 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.590 -7.120 4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.223 -8.644 6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.754 -7.102 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.810 -7.172 6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.222 -8.341 5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.726 -9.360 6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.172 -10.022 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.741 -8.889 8.163 1.00 0.00 H new ATOM 500 N LYS A 33 -10.377 -9.433 3.494 1.00 0.00 N ATOM 501 CA LYS A 33 -11.184 -10.638 3.342 1.00 0.00 C ATOM 502 C LYS A 33 -10.679 -11.493 2.182 1.00 0.00 C ATOM 503 O LYS A 33 -10.823 -12.715 2.191 1.00 0.00 O ATOM 504 CB LYS A 33 -12.653 -10.271 3.115 1.00 0.00 C ATOM 505 CG LYS A 33 -13.594 -11.464 3.184 1.00 0.00 C ATOM 506 CD LYS A 33 -14.480 -11.552 1.950 1.00 0.00 C ATOM 507 CE LYS A 33 -14.609 -12.985 1.458 1.00 0.00 C ATOM 508 NZ LYS A 33 -15.844 -13.189 0.651 1.00 0.00 N ATOM 0 H LYS A 33 -10.864 -8.567 3.264 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.098 -11.217 4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.955 -9.536 3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.754 -9.795 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.013 -12.381 3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.217 -11.385 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -15.468 -11.155 2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.064 -10.930 1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.737 -13.242 0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.618 -13.662 2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.893 -14.179 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -16.678 -12.969 1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.824 -12.562 -0.178 1.00 0.00 H new ATOM 522 N GLU A 34 -10.090 -10.841 1.185 1.00 0.00 N ATOM 523 CA GLU A 34 -9.566 -11.542 0.018 1.00 0.00 C ATOM 524 C GLU A 34 -8.094 -11.898 0.208 1.00 0.00 C ATOM 525 O GLU A 34 -7.642 -12.960 -0.218 1.00 0.00 O ATOM 526 CB GLU A 34 -9.735 -10.683 -1.236 1.00 0.00 C ATOM 527 CG GLU A 34 -9.350 -11.400 -2.519 1.00 0.00 C ATOM 528 CD GLU A 34 -10.282 -11.075 -3.670 1.00 0.00 C ATOM 529 OE1 GLU A 34 -11.299 -11.782 -3.827 1.00 0.00 O ATOM 530 OE2 GLU A 34 -9.995 -10.111 -4.412 1.00 0.00 O ATOM 0 H GLU A 34 -9.964 -9.829 1.162 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.131 -12.466 -0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.773 -10.359 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.127 -9.784 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.331 -11.126 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.355 -12.476 -2.345 1.00 0.00 H new ATOM 537 N ALA A 35 -7.353 -11.003 0.853 1.00 0.00 N ATOM 538 CA ALA A 35 -5.932 -11.222 1.100 1.00 0.00 C ATOM 539 C ALA A 35 -5.700 -12.508 1.885 1.00 0.00 C ATOM 540 O ALA A 35 -4.659 -13.150 1.750 1.00 0.00 O ATOM 541 CB ALA A 35 -5.339 -10.034 1.843 1.00 0.00 C ATOM 0 H ALA A 35 -7.713 -10.119 1.214 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.433 -11.323 0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.278 -10.209 2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.462 -9.132 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.852 -9.909 2.797 1.00 0.00 H new ATOM 547 N ALA A 36 -6.678 -12.878 2.707 1.00 0.00 N ATOM 548 CA ALA A 36 -6.582 -14.087 3.517 1.00 0.00 C ATOM 549 C ALA A 36 -6.542 -15.335 2.642 1.00 0.00 C ATOM 550 O ALA A 36 -5.657 -16.179 2.787 1.00 0.00 O ATOM 551 CB ALA A 36 -7.747 -14.163 4.491 1.00 0.00 C ATOM 0 H ALA A 36 -7.546 -12.357 2.829 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.651 -14.041 4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.663 -15.070 5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.730 -13.293 5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.685 -14.180 3.936 1.00 0.00 H new ATOM 557 N ALA A 37 -7.507 -15.448 1.735 1.00 0.00 N ATOM 558 CA ALA A 37 -7.581 -16.597 0.836 1.00 0.00 C ATOM 559 C ALA A 37 -6.263 -16.805 0.098 1.00 0.00 C ATOM 560 O ALA A 37 -5.522 -17.746 0.386 1.00 0.00 O ATOM 561 CB ALA A 37 -8.721 -16.417 -0.155 1.00 0.00 C ATOM 0 H ALA A 37 -8.248 -14.760 1.602 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.773 -17.486 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.765 -17.280 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.663 -16.327 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.553 -15.515 -0.743 1.00 0.00 H new ATOM 567 N SER A 38 -5.973 -15.918 -0.848 1.00 0.00 N ATOM 568 CA SER A 38 -4.740 -16.005 -1.621 1.00 0.00 C ATOM 569 C SER A 38 -3.522 -15.843 -0.717 1.00 0.00 C ATOM 570 O SER A 38 -2.433 -16.322 -1.034 1.00 0.00 O ATOM 571 CB SER A 38 -4.725 -14.937 -2.717 1.00 0.00 C ATOM 572 OG SER A 38 -5.205 -15.460 -3.943 1.00 0.00 O ATOM 0 H SER A 38 -6.574 -15.132 -1.097 1.00 0.00 H new ATOM 0 HA SER A 38 -4.697 -16.990 -2.085 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.341 -14.090 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.710 -14.562 -2.850 1.00 0.00 H new ATOM 0 HG SER A 38 -5.187 -14.759 -4.627 1.00 0.00 H new ATOM 578 N GLY A 39 -3.712 -15.164 0.411 1.00 0.00 N ATOM 579 CA GLY A 39 -2.622 -14.952 1.344 1.00 0.00 C ATOM 580 C GLY A 39 -1.603 -13.953 0.832 1.00 0.00 C ATOM 581 O GLY A 39 -0.415 -14.060 1.133 1.00 0.00 O ATOM 0 H GLY A 39 -4.603 -14.757 0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.025 -14.600 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.126 -15.903 1.540 1.00 0.00 H new ATOM 585 N LEU A 40 -2.067 -12.976 0.059 1.00 0.00 N ATOM 586 CA LEU A 40 -1.182 -11.956 -0.488 1.00 0.00 C ATOM 587 C LEU A 40 -1.180 -10.714 0.402 1.00 0.00 C ATOM 588 O LEU A 40 -2.173 -10.414 1.064 1.00 0.00 O ATOM 589 CB LEU A 40 -1.598 -11.586 -1.917 1.00 0.00 C ATOM 590 CG LEU A 40 -2.856 -10.719 -2.035 1.00 0.00 C ATOM 591 CD1 LEU A 40 -2.481 -9.265 -2.269 1.00 0.00 C ATOM 592 CD2 LEU A 40 -3.752 -11.224 -3.156 1.00 0.00 C ATOM 0 H LEU A 40 -3.047 -12.870 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.172 -12.364 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.770 -11.061 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.758 -12.506 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.408 -10.787 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.387 -8.664 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.881 -8.905 -1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.906 -9.181 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.640 -10.595 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.209 -11.188 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.050 -12.252 -2.948 1.00 0.00 H new ATOM 604 N PRO A 41 -0.060 -9.974 0.430 1.00 0.00 N ATOM 605 CA PRO A 41 0.066 -8.761 1.246 1.00 0.00 C ATOM 606 C PRO A 41 -0.932 -7.686 0.837 1.00 0.00 C ATOM 607 O PRO A 41 -1.542 -7.758 -0.230 1.00 0.00 O ATOM 608 CB PRO A 41 1.500 -8.291 0.978 1.00 0.00 C ATOM 609 CG PRO A 41 1.873 -8.928 -0.314 1.00 0.00 C ATOM 610 CD PRO A 41 1.171 -10.254 -0.326 1.00 0.00 C ATOM 0 HA PRO A 41 -0.139 -8.957 2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.555 -7.204 0.914 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.173 -8.597 1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.563 -8.313 -1.159 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.953 -9.055 -0.391 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.956 -10.589 -1.341 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.769 -11.033 0.147 1.00 0.00 H new ATOM 618 N LEU A 42 -1.095 -6.686 1.689 1.00 0.00 N ATOM 619 CA LEU A 42 -2.020 -5.601 1.407 1.00 0.00 C ATOM 620 C LEU A 42 -1.291 -4.427 0.758 1.00 0.00 C ATOM 621 O LEU A 42 -0.096 -4.213 0.987 1.00 0.00 O ATOM 622 CB LEU A 42 -2.725 -5.153 2.688 1.00 0.00 C ATOM 623 CG LEU A 42 -4.029 -5.882 3.003 1.00 0.00 C ATOM 624 CD1 LEU A 42 -4.474 -5.575 4.422 1.00 0.00 C ATOM 625 CD2 LEU A 42 -5.113 -5.494 2.012 1.00 0.00 C ATOM 0 H LEU A 42 -0.601 -6.604 2.578 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.773 -5.965 0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.041 -5.288 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.933 -4.086 2.615 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.854 -6.954 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.405 -6.101 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.706 -5.901 5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.631 -4.502 4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.034 -6.024 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.288 -4.420 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.796 -5.759 1.003 1.00 0.00 H new ATOM 637 N MET A 43 -2.020 -3.681 -0.062 1.00 0.00 N ATOM 638 CA MET A 43 -1.463 -2.532 -0.764 1.00 0.00 C ATOM 639 C MET A 43 -2.012 -1.229 -0.196 1.00 0.00 C ATOM 640 O MET A 43 -3.083 -0.774 -0.601 1.00 0.00 O ATOM 641 CB MET A 43 -1.786 -2.620 -2.257 1.00 0.00 C ATOM 642 CG MET A 43 -0.869 -1.777 -3.126 1.00 0.00 C ATOM 643 SD MET A 43 0.881 -2.099 -2.828 1.00 0.00 S ATOM 644 CE MET A 43 1.254 -0.854 -1.594 1.00 0.00 C ATOM 0 H MET A 43 -3.006 -3.853 -0.258 1.00 0.00 H new ATOM 0 HA MET A 43 -0.382 -2.542 -0.627 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.719 -3.661 -2.574 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.817 -2.304 -2.417 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.094 -1.969 -4.175 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.074 -0.722 -2.944 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.993 -0.158 -1.991 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.344 -0.310 -1.339 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.652 -1.335 -0.700 1.00 0.00 H new ATOM 654 N VAL A 44 -1.277 -0.632 0.745 1.00 0.00 N ATOM 655 CA VAL A 44 -1.713 0.611 1.369 1.00 0.00 C ATOM 656 C VAL A 44 -1.137 1.832 0.668 1.00 0.00 C ATOM 657 O VAL A 44 -0.217 2.477 1.170 1.00 0.00 O ATOM 658 CB VAL A 44 -1.329 0.664 2.857 1.00 0.00 C ATOM 659 CG1 VAL A 44 -2.084 1.781 3.564 1.00 0.00 C ATOM 660 CG2 VAL A 44 -1.591 -0.676 3.526 1.00 0.00 C ATOM 0 H VAL A 44 -0.385 -0.989 1.087 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.799 0.629 1.277 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.262 0.876 2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.800 1.803 4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.837 2.737 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.156 1.604 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.313 -0.618 4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.649 -0.923 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.999 -1.449 3.036 1.00 0.00 H new ATOM 670 N ILE A 45 -1.701 2.159 -0.484 1.00 0.00 N ATOM 671 CA ILE A 45 -1.265 3.319 -1.243 1.00 0.00 C ATOM 672 C ILE A 45 -2.044 4.546 -0.789 1.00 0.00 C ATOM 673 O ILE A 45 -3.264 4.585 -0.901 1.00 0.00 O ATOM 674 CB ILE A 45 -1.469 3.104 -2.758 1.00 0.00 C ATOM 675 CG1 ILE A 45 -0.500 2.039 -3.271 1.00 0.00 C ATOM 676 CG2 ILE A 45 -1.293 4.407 -3.527 1.00 0.00 C ATOM 677 CD1 ILE A 45 -0.646 1.753 -4.747 1.00 0.00 C ATOM 0 H ILE A 45 -2.464 1.636 -0.914 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.201 3.468 -1.061 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.490 2.759 -2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.522 2.362 -3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.658 1.116 -2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.443 4.224 -4.591 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.023 5.137 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.287 4.793 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.072 0.988 -5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.657 1.400 -4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.459 2.665 -5.314 1.00 0.00 H new ATOM 689 N ILE A 46 -1.345 5.540 -0.257 1.00 0.00 N ATOM 690 CA ILE A 46 -2.008 6.742 0.217 1.00 0.00 C ATOM 691 C ILE A 46 -1.445 7.968 -0.479 1.00 0.00 C ATOM 692 O ILE A 46 -0.241 8.061 -0.716 1.00 0.00 O ATOM 693 CB ILE A 46 -1.870 6.878 1.741 1.00 0.00 C ATOM 694 CG1 ILE A 46 -2.207 5.547 2.412 1.00 0.00 C ATOM 695 CG2 ILE A 46 -2.772 7.980 2.273 1.00 0.00 C ATOM 696 CD1 ILE A 46 -1.236 5.168 3.504 1.00 0.00 C ATOM 0 H ILE A 46 -0.331 5.537 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.068 6.663 -0.022 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.839 7.146 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.211 5.603 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.220 4.760 1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.655 8.056 3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.498 8.929 1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.810 7.747 2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.532 4.214 3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.234 5.080 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.240 5.936 4.277 1.00 0.00 H new ATOM 708 N HIS A 47 -2.323 8.895 -0.835 1.00 0.00 N ATOM 709 CA HIS A 47 -1.893 10.096 -1.541 1.00 0.00 C ATOM 710 C HIS A 47 -2.579 11.350 -1.022 1.00 0.00 C ATOM 711 O HIS A 47 -3.802 11.476 -1.094 1.00 0.00 O ATOM 712 CB HIS A 47 -2.167 9.947 -3.037 1.00 0.00 C ATOM 713 CG HIS A 47 -3.548 9.454 -3.345 1.00 0.00 C ATOM 714 ND1 HIS A 47 -4.390 10.088 -4.234 1.00 0.00 N ATOM 715 CD2 HIS A 47 -4.235 8.382 -2.880 1.00 0.00 C ATOM 716 CE1 HIS A 47 -5.534 9.430 -4.300 1.00 0.00 C ATOM 717 NE2 HIS A 47 -5.464 8.391 -3.491 1.00 0.00 N ATOM 0 H HIS A 47 -3.325 8.842 -0.650 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.823 10.208 -1.364 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.017 10.911 -3.524 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.440 9.257 -3.465 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.881 7.656 -2.163 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -6.382 9.698 -4.912 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.204 7.705 -3.343 1.00 0.00 H new ATOM 726 N LYS A 48 -1.782 12.287 -0.517 1.00 0.00 N ATOM 727 CA LYS A 48 -2.332 13.547 -0.009 1.00 0.00 C ATOM 728 C LYS A 48 -1.566 14.756 -0.546 1.00 0.00 C ATOM 729 O LYS A 48 -0.406 14.646 -0.945 1.00 0.00 O ATOM 730 CB LYS A 48 -2.323 13.566 1.518 1.00 0.00 C ATOM 731 CG LYS A 48 -3.615 13.058 2.138 1.00 0.00 C ATOM 732 CD LYS A 48 -3.752 13.510 3.583 1.00 0.00 C ATOM 733 CE LYS A 48 -4.158 12.360 4.491 1.00 0.00 C ATOM 734 NZ LYS A 48 -4.828 12.840 5.730 1.00 0.00 N ATOM 0 H LYS A 48 -0.768 12.204 -0.447 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.361 13.613 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.493 12.957 1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.141 14.585 1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.465 13.420 1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.639 11.969 2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.806 13.929 3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.494 14.305 3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.829 11.691 3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.275 11.779 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.257 12.575 6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.926 13.875 5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.770 12.406 5.806 1.00 0.00 H new ATOM 748 N SER A 49 -2.232 15.911 -0.549 1.00 0.00 N ATOM 749 CA SER A 49 -1.631 17.155 -1.030 1.00 0.00 C ATOM 750 C SER A 49 -1.057 16.980 -2.431 1.00 0.00 C ATOM 751 O SER A 49 -1.330 15.985 -3.102 1.00 0.00 O ATOM 752 CB SER A 49 -0.538 17.623 -0.067 1.00 0.00 C ATOM 753 OG SER A 49 -0.664 19.006 0.213 1.00 0.00 O ATOM 0 H SER A 49 -3.193 16.011 -0.222 1.00 0.00 H new ATOM 0 HA SER A 49 -2.413 17.913 -1.075 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.598 17.054 0.861 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.442 17.424 -0.500 1.00 0.00 H new ATOM 0 HG SER A 49 0.045 19.280 0.832 1.00 0.00 H new ATOM 759 N TRP A 50 -0.257 17.952 -2.869 1.00 0.00 N ATOM 760 CA TRP A 50 0.359 17.894 -4.191 1.00 0.00 C ATOM 761 C TRP A 50 1.210 16.636 -4.320 1.00 0.00 C ATOM 762 O TRP A 50 2.411 16.651 -4.050 1.00 0.00 O ATOM 763 CB TRP A 50 1.207 19.143 -4.443 1.00 0.00 C ATOM 764 CG TRP A 50 2.362 19.285 -3.499 1.00 0.00 C ATOM 765 CD1 TRP A 50 2.310 19.673 -2.191 1.00 0.00 C ATOM 766 CD2 TRP A 50 3.743 19.039 -3.791 1.00 0.00 C ATOM 767 NE1 TRP A 50 3.573 19.686 -1.652 1.00 0.00 N ATOM 768 CE2 TRP A 50 4.471 19.299 -2.614 1.00 0.00 C ATOM 769 CE3 TRP A 50 4.432 18.623 -4.932 1.00 0.00 C ATOM 770 CZ2 TRP A 50 5.853 19.158 -2.549 1.00 0.00 C ATOM 771 CZ3 TRP A 50 5.806 18.482 -4.866 1.00 0.00 C ATOM 772 CH2 TRP A 50 6.503 18.749 -3.683 1.00 0.00 C ATOM 0 H TRP A 50 -0.022 18.785 -2.329 1.00 0.00 H new ATOM 0 HA TRP A 50 -0.430 17.859 -4.942 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.585 19.115 -5.465 1.00 0.00 H new ATOM 0 HB3 TRP A 50 0.572 20.025 -4.362 1.00 0.00 H new ATOM 0 HD1 TRP A 50 1.407 19.932 -1.658 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.806 19.942 -0.692 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.901 18.415 -5.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 6.394 19.364 -1.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 6.350 18.161 -5.742 1.00 0.00 H new ATOM 0 HH2 TRP A 50 7.576 18.630 -3.663 1.00 0.00 H new ATOM 783 N CYS A 51 0.568 15.545 -4.714 1.00 0.00 N ATOM 784 CA CYS A 51 1.249 14.265 -4.857 1.00 0.00 C ATOM 785 C CYS A 51 1.639 13.991 -6.306 1.00 0.00 C ATOM 786 O CYS A 51 0.802 13.582 -7.111 1.00 0.00 O ATOM 787 CB CYS A 51 0.345 13.137 -4.354 1.00 0.00 C ATOM 788 SG CYS A 51 -1.326 13.141 -5.090 1.00 0.00 S ATOM 0 H CYS A 51 -0.426 15.521 -4.941 1.00 0.00 H new ATOM 0 HA CYS A 51 2.161 14.308 -4.262 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.822 12.180 -4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.254 13.214 -3.271 1.00 0.00 H new ATOM 793 N GLY A 52 2.916 14.191 -6.637 1.00 0.00 N ATOM 794 CA GLY A 52 3.367 13.921 -7.992 1.00 0.00 C ATOM 795 C GLY A 52 3.073 12.493 -8.383 1.00 0.00 C ATOM 796 O GLY A 52 2.811 12.195 -9.547 1.00 0.00 O ATOM 0 H GLY A 52 3.636 14.531 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.874 14.601 -8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.438 14.110 -8.068 1.00 0.00 H new ATOM 800 N ALA A 53 3.087 11.608 -7.386 1.00 0.00 N ATOM 801 CA ALA A 53 2.788 10.203 -7.608 1.00 0.00 C ATOM 802 C ALA A 53 1.427 10.055 -8.256 1.00 0.00 C ATOM 803 O ALA A 53 1.126 9.031 -8.864 1.00 0.00 O ATOM 804 CB ALA A 53 2.843 9.433 -6.297 1.00 0.00 C ATOM 0 H ALA A 53 3.303 11.845 -6.418 1.00 0.00 H new ATOM 0 HA ALA A 53 3.540 9.788 -8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.617 8.383 -6.482 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.841 9.519 -5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.111 9.845 -5.602 1.00 0.00 H new ATOM 810 N CYS A 54 0.610 11.094 -8.131 1.00 0.00 N ATOM 811 CA CYS A 54 -0.709 11.086 -8.715 1.00 0.00 C ATOM 812 C CYS A 54 -0.689 11.791 -10.068 1.00 0.00 C ATOM 813 O CYS A 54 -1.391 11.399 -11.003 1.00 0.00 O ATOM 814 CB CYS A 54 -1.712 11.759 -7.774 1.00 0.00 C ATOM 815 SG CYS A 54 -1.468 11.339 -6.015 1.00 0.00 S ATOM 0 H CYS A 54 0.846 11.950 -7.628 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.019 10.052 -8.866 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.639 12.840 -7.893 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.721 11.473 -8.070 1.00 0.00 H new ATOM 820 N LYS A 55 0.133 12.832 -10.169 1.00 0.00 N ATOM 821 CA LYS A 55 0.259 13.593 -11.407 1.00 0.00 C ATOM 822 C LYS A 55 0.641 12.680 -12.568 1.00 0.00 C ATOM 823 O LYS A 55 -0.065 12.617 -13.575 1.00 0.00 O ATOM 824 CB LYS A 55 1.302 14.703 -11.244 1.00 0.00 C ATOM 825 CG LYS A 55 0.764 16.090 -11.558 1.00 0.00 C ATOM 826 CD LYS A 55 1.808 17.164 -11.286 1.00 0.00 C ATOM 827 CE LYS A 55 2.686 17.408 -12.503 1.00 0.00 C ATOM 828 NZ LYS A 55 3.983 16.684 -12.407 1.00 0.00 N ATOM 0 H LYS A 55 0.722 13.168 -9.407 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.707 14.045 -11.629 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.678 14.690 -10.221 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.149 14.494 -11.897 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.457 16.135 -12.603 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.124 16.283 -10.956 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.312 18.092 -11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.429 16.864 -10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.158 17.089 -13.401 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.874 18.477 -12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.299 16.410 -13.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.695 17.304 -11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.862 15.831 -11.824 1.00 0.00 H new ATOM 842 N ALA A 56 1.755 11.969 -12.421 1.00 0.00 N ATOM 843 CA ALA A 56 2.214 11.055 -13.465 1.00 0.00 C ATOM 844 C ALA A 56 1.391 9.770 -13.469 1.00 0.00 C ATOM 845 O ALA A 56 1.302 9.082 -14.482 1.00 0.00 O ATOM 846 CB ALA A 56 3.691 10.751 -13.271 1.00 0.00 C ATOM 0 H ALA A 56 2.354 12.006 -11.596 1.00 0.00 H new ATOM 0 HA ALA A 56 2.078 11.536 -14.434 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.028 10.069 -14.052 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.263 11.677 -13.326 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.842 10.288 -12.296 1.00 0.00 H new ATOM 852 N LEU A 57 0.792 9.464 -12.327 1.00 0.00 N ATOM 853 CA LEU A 57 -0.030 8.268 -12.162 1.00 0.00 C ATOM 854 C LEU A 57 -1.120 8.173 -13.231 1.00 0.00 C ATOM 855 O LEU A 57 -1.493 7.081 -13.656 1.00 0.00 O ATOM 856 CB LEU A 57 -0.630 8.295 -10.743 1.00 0.00 C ATOM 857 CG LEU A 57 -2.112 7.910 -10.564 1.00 0.00 C ATOM 858 CD1 LEU A 57 -2.477 7.959 -9.089 1.00 0.00 C ATOM 859 CD2 LEU A 57 -3.040 8.833 -11.343 1.00 0.00 C ATOM 0 H LEU A 57 0.861 10.037 -11.486 1.00 0.00 H new ATOM 0 HA LEU A 57 0.589 7.379 -12.287 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.036 7.627 -10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.499 9.302 -10.347 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.239 6.900 -10.954 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.525 7.687 -8.964 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.852 7.258 -8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.316 8.967 -8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.074 8.525 -11.188 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.911 9.858 -10.995 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.800 8.778 -12.405 1.00 0.00 H new ATOM 871 N LYS A 58 -1.655 9.316 -13.628 1.00 0.00 N ATOM 872 CA LYS A 58 -2.738 9.354 -14.605 1.00 0.00 C ATOM 873 C LYS A 58 -2.416 8.618 -15.916 1.00 0.00 C ATOM 874 O LYS A 58 -3.044 7.611 -16.231 1.00 0.00 O ATOM 875 CB LYS A 58 -3.129 10.805 -14.900 1.00 0.00 C ATOM 876 CG LYS A 58 -4.474 11.202 -14.313 1.00 0.00 C ATOM 877 CD LYS A 58 -4.313 12.116 -13.108 1.00 0.00 C ATOM 878 CE LYS A 58 -3.904 13.520 -13.524 1.00 0.00 C ATOM 879 NZ LYS A 58 -2.425 13.658 -13.631 1.00 0.00 N ATOM 0 H LYS A 58 -1.359 10.232 -13.290 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.575 8.822 -14.153 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.359 11.468 -14.505 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.154 10.954 -15.979 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.069 11.705 -15.075 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.022 10.306 -14.020 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.251 12.158 -12.554 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.563 11.702 -12.434 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.362 13.762 -14.483 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.284 14.239 -12.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.125 14.543 -13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.966 12.852 -13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.150 13.676 -14.634 1.00 0.00 H new ATOM 893 N PRO A 59 -1.468 9.134 -16.718 1.00 0.00 N ATOM 894 CA PRO A 59 -1.122 8.545 -18.026 1.00 0.00 C ATOM 895 C PRO A 59 -0.352 7.225 -17.979 1.00 0.00 C ATOM 896 O PRO A 59 -0.428 6.436 -18.922 1.00 0.00 O ATOM 897 CB PRO A 59 -0.254 9.625 -18.670 1.00 0.00 C ATOM 898 CG PRO A 59 0.351 10.349 -17.521 1.00 0.00 C ATOM 899 CD PRO A 59 -0.693 10.356 -16.444 1.00 0.00 C ATOM 0 HA PRO A 59 -2.032 8.281 -18.565 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.511 9.189 -19.312 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.849 10.294 -19.292 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.260 9.852 -17.181 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.629 11.365 -17.802 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.246 10.335 -15.450 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.317 11.248 -16.494 1.00 0.00 H new ATOM 907 N LYS A 60 0.404 6.981 -16.917 1.00 0.00 N ATOM 908 CA LYS A 60 1.184 5.744 -16.837 1.00 0.00 C ATOM 909 C LYS A 60 0.516 4.705 -15.958 1.00 0.00 C ATOM 910 O LYS A 60 0.406 3.545 -16.342 1.00 0.00 O ATOM 911 CB LYS A 60 2.580 6.016 -16.304 1.00 0.00 C ATOM 912 CG LYS A 60 2.564 6.548 -14.891 1.00 0.00 C ATOM 913 CD LYS A 60 3.792 7.400 -14.600 1.00 0.00 C ATOM 914 CE LYS A 60 3.932 8.553 -15.587 1.00 0.00 C ATOM 915 NZ LYS A 60 4.786 8.189 -16.754 1.00 0.00 N ATOM 0 H LYS A 60 0.496 7.604 -16.114 1.00 0.00 H new ATOM 0 HA LYS A 60 1.247 5.352 -17.852 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.164 5.096 -16.336 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.080 6.734 -16.954 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.663 7.142 -14.735 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.523 5.716 -14.188 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.727 7.796 -13.586 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.685 6.776 -14.642 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.944 8.850 -15.939 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.362 9.416 -15.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.607 8.826 -16.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.114 7.208 -16.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.233 8.279 -17.630 1.00 0.00 H new ATOM 929 N PHE A 61 0.065 5.110 -14.779 1.00 0.00 N ATOM 930 CA PHE A 61 -0.587 4.175 -13.896 1.00 0.00 C ATOM 931 C PHE A 61 -1.892 3.733 -14.532 1.00 0.00 C ATOM 932 O PHE A 61 -2.398 2.650 -14.247 1.00 0.00 O ATOM 933 CB PHE A 61 -0.788 4.778 -12.514 1.00 0.00 C ATOM 934 CG PHE A 61 -0.762 3.748 -11.423 1.00 0.00 C ATOM 935 CD1 PHE A 61 -1.807 2.851 -11.271 1.00 0.00 C ATOM 936 CD2 PHE A 61 0.315 3.672 -10.555 1.00 0.00 C ATOM 937 CE1 PHE A 61 -1.778 1.897 -10.271 1.00 0.00 C ATOM 938 CE2 PHE A 61 0.348 2.721 -9.553 1.00 0.00 C ATOM 939 CZ PHE A 61 -0.700 1.833 -9.412 1.00 0.00 C ATOM 0 H PHE A 61 0.140 6.063 -14.423 1.00 0.00 H new ATOM 0 HA PHE A 61 0.042 3.297 -13.753 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.009 5.518 -12.328 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.742 5.305 -12.487 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.653 2.898 -11.941 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.138 4.363 -10.663 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.598 1.203 -10.162 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.192 2.672 -8.881 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.676 1.089 -8.630 1.00 0.00 H new ATOM 949 N ALA A 62 -2.392 4.548 -15.466 1.00 0.00 N ATOM 950 CA ALA A 62 -3.583 4.186 -16.206 1.00 0.00 C ATOM 951 C ALA A 62 -3.269 2.929 -17.018 1.00 0.00 C ATOM 952 O ALA A 62 -4.159 2.183 -17.428 1.00 0.00 O ATOM 953 CB ALA A 62 -4.013 5.330 -17.109 1.00 0.00 C ATOM 0 H ALA A 62 -1.989 5.450 -15.718 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.410 3.985 -15.524 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.909 5.043 -17.659 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.225 6.211 -16.504 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.213 5.558 -17.813 1.00 0.00 H new ATOM 959 N GLU A 63 -1.964 2.708 -17.205 1.00 0.00 N ATOM 960 CA GLU A 63 -1.427 1.558 -17.918 1.00 0.00 C ATOM 961 C GLU A 63 -1.481 0.324 -17.033 1.00 0.00 C ATOM 962 O GLU A 63 -1.312 -0.801 -17.503 1.00 0.00 O ATOM 963 CB GLU A 63 0.013 1.847 -18.350 1.00 0.00 C ATOM 964 CG GLU A 63 0.535 0.894 -19.414 1.00 0.00 C ATOM 965 CD GLU A 63 1.995 1.133 -19.742 1.00 0.00 C ATOM 966 OE1 GLU A 63 2.848 0.903 -18.859 1.00 0.00 O ATOM 967 OE2 GLU A 63 2.286 1.549 -20.883 1.00 0.00 O ATOM 0 H GLU A 63 -1.242 3.339 -16.856 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.030 1.371 -18.806 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.072 2.867 -18.729 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.663 1.793 -17.476 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.406 -0.133 -19.072 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.060 1.005 -20.320 1.00 0.00 H new ATOM 974 N SER A 64 -1.723 0.548 -15.746 1.00 0.00 N ATOM 975 CA SER A 64 -1.812 -0.524 -14.773 1.00 0.00 C ATOM 976 C SER A 64 -2.854 -1.574 -15.163 1.00 0.00 C ATOM 977 O SER A 64 -3.097 -2.509 -14.403 1.00 0.00 O ATOM 978 CB SER A 64 -2.156 0.056 -13.410 1.00 0.00 C ATOM 979 OG SER A 64 -1.070 0.797 -12.882 1.00 0.00 O ATOM 0 H SER A 64 -1.862 1.479 -15.352 1.00 0.00 H new ATOM 0 HA SER A 64 -0.843 -1.021 -14.739 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.032 0.699 -13.496 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.418 -0.750 -12.724 1.00 0.00 H new ATOM 0 HG SER A 64 -1.346 1.726 -12.740 1.00 0.00 H new ATOM 985 N THR A 65 -3.456 -1.442 -16.348 1.00 0.00 N ATOM 986 CA THR A 65 -4.437 -2.419 -16.807 1.00 0.00 C ATOM 987 C THR A 65 -3.872 -3.818 -16.603 1.00 0.00 C ATOM 988 O THR A 65 -4.583 -4.742 -16.207 1.00 0.00 O ATOM 989 CB THR A 65 -4.779 -2.190 -18.280 1.00 0.00 C ATOM 990 OG1 THR A 65 -4.362 -0.901 -18.699 1.00 0.00 O ATOM 991 CG2 THR A 65 -6.257 -2.309 -18.576 1.00 0.00 C ATOM 0 H THR A 65 -3.282 -0.676 -16.998 1.00 0.00 H new ATOM 0 HA THR A 65 -5.356 -2.308 -16.231 1.00 0.00 H new ATOM 0 HB THR A 65 -4.250 -2.973 -18.823 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.589 -0.775 -19.644 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.431 -2.135 -19.638 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.602 -3.308 -18.311 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.806 -1.569 -17.993 1.00 0.00 H new ATOM 999 N GLU A 66 -2.566 -3.946 -16.833 1.00 0.00 N ATOM 1000 CA GLU A 66 -1.876 -5.209 -16.628 1.00 0.00 C ATOM 1001 C GLU A 66 -1.591 -5.373 -15.151 1.00 0.00 C ATOM 1002 O GLU A 66 -1.593 -6.489 -14.628 1.00 0.00 O ATOM 1003 CB GLU A 66 -0.575 -5.269 -17.430 1.00 0.00 C ATOM 1004 CG GLU A 66 0.396 -4.158 -17.078 1.00 0.00 C ATOM 1005 CD GLU A 66 0.586 -3.166 -18.209 1.00 0.00 C ATOM 1006 OE1 GLU A 66 0.428 -3.566 -19.382 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.893 -1.991 -17.921 1.00 0.00 O ATOM 0 H GLU A 66 -1.968 -3.187 -17.161 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.512 -6.022 -16.978 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.094 -6.232 -17.258 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.808 -5.215 -18.493 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.034 -3.631 -16.195 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.360 -4.593 -16.816 1.00 0.00 H new ATOM 1014 N ILE A 67 -1.386 -4.251 -14.465 1.00 0.00 N ATOM 1015 CA ILE A 67 -1.151 -4.296 -13.038 1.00 0.00 C ATOM 1016 C ILE A 67 -2.430 -4.735 -12.328 1.00 0.00 C ATOM 1017 O ILE A 67 -2.397 -5.157 -11.173 1.00 0.00 O ATOM 1018 CB ILE A 67 -0.680 -2.937 -12.485 1.00 0.00 C ATOM 1019 CG1 ILE A 67 0.586 -2.482 -13.212 1.00 0.00 C ATOM 1020 CG2 ILE A 67 -0.429 -3.026 -10.986 1.00 0.00 C ATOM 1021 CD1 ILE A 67 1.055 -1.105 -12.799 1.00 0.00 C ATOM 0 H ILE A 67 -1.379 -3.316 -14.873 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.353 -5.015 -12.851 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.466 -2.202 -12.657 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.383 -3.201 -13.022 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.401 -2.487 -14.286 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.097 -2.056 -10.614 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.350 -3.313 -10.479 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.341 -3.773 -10.790 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.957 -0.846 -13.354 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.275 -0.375 -13.014 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.272 -1.100 -11.731 1.00 0.00 H new ATOM 1033 N SER A 68 -3.556 -4.664 -13.048 1.00 0.00 N ATOM 1034 CA SER A 68 -4.834 -5.088 -12.501 1.00 0.00 C ATOM 1035 C SER A 68 -4.796 -6.588 -12.253 1.00 0.00 C ATOM 1036 O SER A 68 -5.400 -7.093 -11.308 1.00 0.00 O ATOM 1037 CB SER A 68 -5.975 -4.735 -13.458 1.00 0.00 C ATOM 1038 OG SER A 68 -6.100 -5.704 -14.485 1.00 0.00 O ATOM 0 H SER A 68 -3.600 -4.317 -14.006 1.00 0.00 H new ATOM 0 HA SER A 68 -5.012 -4.567 -11.560 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.911 -4.666 -12.903 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.793 -3.755 -13.899 1.00 0.00 H new ATOM 0 HG SER A 68 -5.974 -5.275 -15.357 1.00 0.00 H new ATOM 1044 N GLU A 69 -4.052 -7.291 -13.103 1.00 0.00 N ATOM 1045 CA GLU A 69 -3.895 -8.728 -12.971 1.00 0.00 C ATOM 1046 C GLU A 69 -2.810 -9.015 -11.947 1.00 0.00 C ATOM 1047 O GLU A 69 -2.954 -9.896 -11.098 1.00 0.00 O ATOM 1048 CB GLU A 69 -3.541 -9.361 -14.317 1.00 0.00 C ATOM 1049 CG GLU A 69 -4.417 -8.880 -15.462 1.00 0.00 C ATOM 1050 CD GLU A 69 -5.895 -9.057 -15.179 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -6.375 -8.510 -14.164 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -6.575 -9.744 -15.972 1.00 0.00 O ATOM 0 H GLU A 69 -3.549 -6.883 -13.891 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.837 -9.163 -12.637 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.499 -9.141 -14.550 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.628 -10.444 -14.234 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.211 -7.827 -15.654 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.156 -9.427 -16.368 1.00 0.00 H new ATOM 1059 N LEU A 70 -1.731 -8.243 -12.019 1.00 0.00 N ATOM 1060 CA LEU A 70 -0.626 -8.386 -11.080 1.00 0.00 C ATOM 1061 C LEU A 70 -1.100 -8.127 -9.656 1.00 0.00 C ATOM 1062 O LEU A 70 -0.468 -8.552 -8.694 1.00 0.00 O ATOM 1063 CB LEU A 70 0.496 -7.404 -11.413 1.00 0.00 C ATOM 1064 CG LEU A 70 1.537 -7.908 -12.410 1.00 0.00 C ATOM 1065 CD1 LEU A 70 1.672 -6.931 -13.565 1.00 0.00 C ATOM 1066 CD2 LEU A 70 2.880 -8.113 -11.721 1.00 0.00 C ATOM 0 H LEU A 70 -1.599 -7.512 -12.718 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.251 -9.406 -11.161 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.051 -6.492 -11.810 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.005 -7.134 -10.488 1.00 0.00 H new ATOM 0 HG LEU A 70 1.206 -8.869 -12.805 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.417 -7.301 -14.269 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.712 -6.831 -14.071 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.984 -5.958 -13.184 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.610 -8.472 -12.446 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.221 -7.167 -11.301 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.771 -8.847 -10.922 1.00 0.00 H new ATOM 1078 N SER A 71 -2.220 -7.414 -9.532 1.00 0.00 N ATOM 1079 CA SER A 71 -2.788 -7.068 -8.228 1.00 0.00 C ATOM 1080 C SER A 71 -2.782 -8.245 -7.256 1.00 0.00 C ATOM 1081 O SER A 71 -2.862 -8.050 -6.044 1.00 0.00 O ATOM 1082 CB SER A 71 -4.217 -6.571 -8.392 1.00 0.00 C ATOM 1083 OG SER A 71 -4.409 -5.334 -7.728 1.00 0.00 O ATOM 0 H SER A 71 -2.756 -7.062 -10.326 1.00 0.00 H new ATOM 0 HA SER A 71 -2.157 -6.283 -7.811 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.446 -6.457 -9.452 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.910 -7.312 -7.994 1.00 0.00 H new ATOM 0 HG SER A 71 -5.340 -5.264 -7.430 1.00 0.00 H new ATOM 1089 N HIS A 72 -2.661 -9.460 -7.775 1.00 0.00 N ATOM 1090 CA HIS A 72 -2.619 -10.636 -6.921 1.00 0.00 C ATOM 1091 C HIS A 72 -1.465 -10.513 -5.934 1.00 0.00 C ATOM 1092 O HIS A 72 -1.392 -11.244 -4.947 1.00 0.00 O ATOM 1093 CB HIS A 72 -2.474 -11.907 -7.760 1.00 0.00 C ATOM 1094 CG HIS A 72 -3.751 -12.338 -8.413 1.00 0.00 C ATOM 1095 ND1 HIS A 72 -4.311 -13.584 -8.227 1.00 0.00 N ATOM 1096 CD2 HIS A 72 -4.581 -11.678 -9.253 1.00 0.00 C ATOM 1097 CE1 HIS A 72 -5.429 -13.672 -8.924 1.00 0.00 C ATOM 1098 NE2 HIS A 72 -5.616 -12.529 -9.556 1.00 0.00 N ATOM 0 H HIS A 72 -2.591 -9.655 -8.774 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.555 -10.703 -6.366 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.719 -11.742 -8.529 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.110 -12.714 -7.124 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.454 -10.669 -9.618 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.080 -14.533 -8.969 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -6.401 -12.312 -10.170 1.00 0.00 H new ATOM 1107 N ASN A 73 -0.569 -9.569 -6.212 1.00 0.00 N ATOM 1108 CA ASN A 73 0.580 -9.324 -5.357 1.00 0.00 C ATOM 1109 C ASN A 73 0.161 -8.561 -4.101 1.00 0.00 C ATOM 1110 O ASN A 73 0.507 -8.939 -2.983 1.00 0.00 O ATOM 1111 CB ASN A 73 1.645 -8.537 -6.129 1.00 0.00 C ATOM 1112 CG ASN A 73 1.069 -7.368 -6.911 1.00 0.00 C ATOM 1113 OD1 ASN A 73 0.230 -6.621 -6.411 1.00 0.00 O ATOM 1114 ND2 ASN A 73 1.514 -7.202 -8.152 1.00 0.00 N ATOM 0 H ASN A 73 -0.621 -8.960 -7.029 1.00 0.00 H new ATOM 0 HA ASN A 73 1.000 -10.282 -5.050 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.393 -8.165 -5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.158 -9.209 -6.817 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.159 -6.435 -8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.211 -7.842 -8.534 1.00 0.00 H new ATOM 1121 N PHE A 74 -0.584 -7.483 -4.309 1.00 0.00 N ATOM 1122 CA PHE A 74 -1.069 -6.637 -3.246 1.00 0.00 C ATOM 1123 C PHE A 74 -2.500 -6.218 -3.567 1.00 0.00 C ATOM 1124 O PHE A 74 -2.840 -6.048 -4.737 1.00 0.00 O ATOM 1125 CB PHE A 74 -0.164 -5.427 -3.141 1.00 0.00 C ATOM 1126 CG PHE A 74 1.280 -5.785 -2.960 1.00 0.00 C ATOM 1127 CD1 PHE A 74 1.802 -5.982 -1.695 1.00 0.00 C ATOM 1128 CD2 PHE A 74 2.112 -5.937 -4.058 1.00 0.00 C ATOM 1129 CE1 PHE A 74 3.131 -6.326 -1.526 1.00 0.00 C ATOM 1130 CE2 PHE A 74 3.439 -6.279 -3.897 1.00 0.00 C ATOM 1131 CZ PHE A 74 3.949 -6.474 -2.629 1.00 0.00 C ATOM 0 H PHE A 74 -0.868 -7.174 -5.239 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.064 -7.166 -2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.272 -4.821 -4.041 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.487 -4.811 -2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.166 -5.866 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.717 -5.786 -5.052 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.528 -6.479 -0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.077 -6.394 -4.761 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.987 -6.742 -2.500 1.00 0.00 H new ATOM 1141 N VAL A 75 -3.357 -6.091 -2.556 1.00 0.00 N ATOM 1142 CA VAL A 75 -4.751 -5.744 -2.826 1.00 0.00 C ATOM 1143 C VAL A 75 -5.161 -4.316 -2.437 1.00 0.00 C ATOM 1144 O VAL A 75 -4.553 -3.649 -1.602 1.00 0.00 O ATOM 1145 CB VAL A 75 -5.724 -6.744 -2.171 1.00 0.00 C ATOM 1146 CG1 VAL A 75 -5.739 -6.575 -0.660 1.00 0.00 C ATOM 1147 CG2 VAL A 75 -7.129 -6.582 -2.749 1.00 0.00 C ATOM 0 H VAL A 75 -3.122 -6.218 -1.572 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.821 -5.799 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.377 -7.753 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.433 -7.292 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.738 -6.749 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.056 -5.563 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.802 -7.296 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.485 -5.569 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.104 -6.765 -3.823 1.00 0.00 H new ATOM 1157 N MET A 76 -6.222 -3.903 -3.118 1.00 0.00 N ATOM 1158 CA MET A 76 -6.882 -2.606 -3.026 1.00 0.00 C ATOM 1159 C MET A 76 -7.005 -1.955 -1.644 1.00 0.00 C ATOM 1160 O MET A 76 -8.018 -2.140 -0.962 1.00 0.00 O ATOM 1161 CB MET A 76 -8.288 -2.834 -3.532 1.00 0.00 C ATOM 1162 CG MET A 76 -9.062 -3.877 -2.721 1.00 0.00 C ATOM 1163 SD MET A 76 -9.543 -5.336 -3.677 1.00 0.00 S ATOM 1164 CE MET A 76 -10.565 -6.204 -2.491 1.00 0.00 C ATOM 0 H MET A 76 -6.678 -4.510 -3.799 1.00 0.00 H new ATOM 0 HA MET A 76 -6.256 -1.915 -3.591 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.832 -1.890 -3.510 1.00 0.00 H new ATOM 0 HB3 MET A 76 -8.245 -3.153 -4.573 1.00 0.00 H new ATOM 0 HG2 MET A 76 -8.451 -4.193 -1.876 1.00 0.00 H new ATOM 0 HG3 MET A 76 -9.958 -3.412 -2.310 1.00 0.00 H new ATOM 0 HE1 MET A 76 -10.029 -7.077 -2.119 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.800 -5.540 -1.659 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.489 -6.524 -2.972 1.00 0.00 H new ATOM 1174 N VAL A 77 -6.031 -1.109 -1.280 1.00 0.00 N ATOM 1175 CA VAL A 77 -6.102 -0.362 -0.020 1.00 0.00 C ATOM 1176 C VAL A 77 -5.600 1.074 -0.195 1.00 0.00 C ATOM 1177 O VAL A 77 -4.564 1.453 0.352 1.00 0.00 O ATOM 1178 CB VAL A 77 -5.318 -1.047 1.116 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.508 -0.300 2.429 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -5.749 -2.492 1.258 1.00 0.00 C ATOM 0 H VAL A 77 -5.194 -0.927 -1.834 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.155 -0.343 0.261 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.258 -1.025 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.946 -0.801 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.148 0.723 2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.566 -0.287 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.186 -2.962 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.814 -2.533 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.558 -3.022 0.325 1.00 0.00 H new ATOM 1190 N ASN A 78 -6.343 1.865 -0.966 1.00 0.00 N ATOM 1191 CA ASN A 78 -5.981 3.256 -1.226 1.00 0.00 C ATOM 1192 C ASN A 78 -6.623 4.216 -0.231 1.00 0.00 C ATOM 1193 O ASN A 78 -7.800 4.556 -0.356 1.00 0.00 O ATOM 1194 CB ASN A 78 -6.419 3.651 -2.630 1.00 0.00 C ATOM 1195 CG ASN A 78 -5.818 4.966 -3.093 1.00 0.00 C ATOM 1196 OD1 ASN A 78 -6.530 5.850 -3.570 1.00 0.00 O ATOM 1197 ND2 ASN A 78 -4.507 5.102 -2.958 1.00 0.00 N ATOM 0 H ASN A 78 -7.204 1.564 -1.424 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.898 3.328 -1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.136 2.863 -3.328 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.506 3.725 -2.658 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.051 5.965 -3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.954 4.344 -2.557 1.00 0.00 H new ATOM 1204 N LEU A 79 -5.845 4.672 0.741 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.351 5.620 1.729 1.00 0.00 C ATOM 1206 C LEU A 79 -6.051 7.059 1.302 1.00 0.00 C ATOM 1207 O LEU A 79 -5.020 7.340 0.677 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.756 5.349 3.114 1.00 0.00 C ATOM 1209 CG LEU A 79 -5.369 3.894 3.387 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -4.738 3.761 4.764 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -6.587 2.990 3.270 1.00 0.00 C ATOM 0 H LEU A 79 -4.869 4.405 0.868 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.431 5.488 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.871 5.973 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.477 5.664 3.869 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.637 3.585 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.469 2.720 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.843 4.381 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.449 4.087 5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.295 1.959 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.340 3.299 3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.000 3.064 2.264 1.00 0.00 H new ATOM 1223 N GLU A 80 -6.963 7.967 1.636 1.00 0.00 N ATOM 1224 CA GLU A 80 -6.806 9.373 1.285 1.00 0.00 C ATOM 1225 C GLU A 80 -7.104 10.270 2.484 1.00 0.00 C ATOM 1226 O GLU A 80 -7.245 9.790 3.610 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.728 9.735 0.117 1.00 0.00 C ATOM 1228 CG GLU A 80 -7.027 10.501 -0.992 1.00 0.00 C ATOM 1229 CD GLU A 80 -7.933 10.770 -2.176 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -8.667 9.846 -2.584 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -7.907 11.905 -2.698 1.00 0.00 O ATOM 0 H GLU A 80 -7.818 7.753 2.149 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.771 9.534 0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.154 8.821 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.559 10.333 0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.659 11.448 -0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.157 9.935 -1.326 1.00 0.00 H new ATOM 1238 N ASP A 81 -7.198 11.573 2.234 1.00 0.00 N ATOM 1239 CA ASP A 81 -7.478 12.537 3.293 1.00 0.00 C ATOM 1240 C ASP A 81 -8.789 12.207 4.000 1.00 0.00 C ATOM 1241 O ASP A 81 -8.902 12.350 5.217 1.00 0.00 O ATOM 1242 CB ASP A 81 -7.540 13.953 2.717 1.00 0.00 C ATOM 1243 CG ASP A 81 -8.447 14.043 1.506 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -9.666 14.248 1.691 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -7.939 13.910 0.373 1.00 0.00 O ATOM 0 H ASP A 81 -7.084 11.985 1.308 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.670 12.482 4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.895 14.640 3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.536 14.275 2.441 1.00 0.00 H new ATOM 1250 N GLU A 82 -9.776 11.764 3.228 1.00 0.00 N ATOM 1251 CA GLU A 82 -11.078 11.414 3.781 1.00 0.00 C ATOM 1252 C GLU A 82 -10.968 10.209 4.708 1.00 0.00 C ATOM 1253 O GLU A 82 -11.708 10.092 5.684 1.00 0.00 O ATOM 1254 CB GLU A 82 -12.071 11.117 2.655 1.00 0.00 C ATOM 1255 CG GLU A 82 -11.596 10.041 1.693 1.00 0.00 C ATOM 1256 CD GLU A 82 -12.741 9.242 1.101 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -13.310 8.395 1.824 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -13.070 9.463 -0.083 1.00 0.00 O ATOM 0 H GLU A 82 -9.699 11.639 2.219 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.440 12.264 4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.021 10.809 3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.260 12.034 2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.027 10.505 0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.918 9.366 2.215 1.00 0.00 H new ATOM 1265 N GLU A 83 -10.035 9.315 4.398 1.00 0.00 N ATOM 1266 CA GLU A 83 -9.823 8.117 5.203 1.00 0.00 C ATOM 1267 C GLU A 83 -8.397 8.074 5.743 1.00 0.00 C ATOM 1268 O GLU A 83 -7.553 7.334 5.240 1.00 0.00 O ATOM 1269 CB GLU A 83 -10.108 6.863 4.375 1.00 0.00 C ATOM 1270 CG GLU A 83 -10.704 5.723 5.187 1.00 0.00 C ATOM 1271 CD GLU A 83 -11.965 5.160 4.563 1.00 0.00 C ATOM 1272 OE1 GLU A 83 -12.946 5.918 4.420 1.00 0.00 O ATOM 1273 OE2 GLU A 83 -11.971 3.959 4.218 1.00 0.00 O ATOM 0 H GLU A 83 -9.413 9.397 3.594 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.512 8.148 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.792 7.119 3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.181 6.524 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.966 4.927 5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.928 6.077 6.193 1.00 0.00 H new ATOM 1280 N GLU A 84 -8.137 8.873 6.773 1.00 0.00 N ATOM 1281 CA GLU A 84 -6.813 8.927 7.381 1.00 0.00 C ATOM 1282 C GLU A 84 -6.668 7.863 8.468 1.00 0.00 C ATOM 1283 O GLU A 84 -7.512 7.762 9.360 1.00 0.00 O ATOM 1284 CB GLU A 84 -6.558 10.315 7.975 1.00 0.00 C ATOM 1285 CG GLU A 84 -7.543 10.700 9.066 1.00 0.00 C ATOM 1286 CD GLU A 84 -8.024 12.132 8.941 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -7.289 13.045 9.376 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -9.133 12.342 8.407 1.00 0.00 O ATOM 0 H GLU A 84 -8.825 9.491 7.203 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.076 8.730 6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.547 10.347 8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.604 11.056 7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.401 10.028 9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.072 10.563 10.040 1.00 0.00 H new ATOM 1295 N PRO A 85 -5.597 7.052 8.411 1.00 0.00 N ATOM 1296 CA PRO A 85 -5.354 5.997 9.398 1.00 0.00 C ATOM 1297 C PRO A 85 -4.895 6.552 10.744 1.00 0.00 C ATOM 1298 O PRO A 85 -5.006 5.883 11.771 1.00 0.00 O ATOM 1299 CB PRO A 85 -4.245 5.164 8.756 1.00 0.00 C ATOM 1300 CG PRO A 85 -3.507 6.128 7.894 1.00 0.00 C ATOM 1301 CD PRO A 85 -4.538 7.098 7.383 1.00 0.00 C ATOM 0 HA PRO A 85 -6.258 5.431 9.621 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.592 4.725 9.510 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.655 4.341 8.171 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.732 6.644 8.460 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.011 5.615 7.070 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -4.126 8.102 7.276 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.916 6.803 6.404 1.00 0.00 H new ATOM 1309 N LYS A 86 -4.378 7.778 10.732 1.00 0.00 N ATOM 1310 CA LYS A 86 -3.901 8.422 11.952 1.00 0.00 C ATOM 1311 C LYS A 86 -2.709 7.668 12.534 1.00 0.00 C ATOM 1312 O LYS A 86 -2.536 7.596 13.750 1.00 0.00 O ATOM 1313 CB LYS A 86 -5.029 8.502 12.986 1.00 0.00 C ATOM 1314 CG LYS A 86 -5.685 9.873 13.062 1.00 0.00 C ATOM 1315 CD LYS A 86 -7.185 9.764 13.290 1.00 0.00 C ATOM 1316 CE LYS A 86 -7.601 10.407 14.603 1.00 0.00 C ATOM 1317 NZ LYS A 86 -8.055 11.813 14.414 1.00 0.00 N ATOM 0 H LYS A 86 -4.279 8.345 9.890 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.579 9.432 11.700 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.787 7.758 12.743 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.631 8.243 13.967 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.234 10.448 13.871 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.496 10.419 12.138 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.714 10.243 12.466 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.478 8.714 13.290 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.404 9.824 15.054 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.762 10.387 15.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.330 12.216 15.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.281 12.376 14.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.872 11.831 13.770 1.00 0.00 H new ATOM 1331 N ASP A 87 -1.884 7.107 11.653 1.00 0.00 N ATOM 1332 CA ASP A 87 -0.706 6.358 12.077 1.00 0.00 C ATOM 1333 C ASP A 87 0.467 6.611 11.135 1.00 0.00 C ATOM 1334 O ASP A 87 0.314 7.250 10.095 1.00 0.00 O ATOM 1335 CB ASP A 87 -1.022 4.862 12.134 1.00 0.00 C ATOM 1336 CG ASP A 87 -1.192 4.362 13.556 1.00 0.00 C ATOM 1337 OD1 ASP A 87 -2.311 4.485 14.097 1.00 0.00 O ATOM 1338 OD2 ASP A 87 -0.208 3.851 14.126 1.00 0.00 O ATOM 0 H ASP A 87 -2.010 7.157 10.642 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.426 6.700 13.073 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.934 4.664 11.570 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.220 4.305 11.649 1.00 0.00 H new ATOM 1343 N GLU A 88 1.636 6.100 11.509 1.00 0.00 N ATOM 1344 CA GLU A 88 2.839 6.267 10.699 1.00 0.00 C ATOM 1345 C GLU A 88 2.779 5.410 9.434 1.00 0.00 C ATOM 1346 O GLU A 88 3.559 5.611 8.503 1.00 0.00 O ATOM 1347 CB GLU A 88 4.079 5.910 11.516 1.00 0.00 C ATOM 1348 CG GLU A 88 4.857 7.125 11.989 1.00 0.00 C ATOM 1349 CD GLU A 88 4.165 7.856 13.120 1.00 0.00 C ATOM 1350 OE1 GLU A 88 3.547 7.183 13.972 1.00 0.00 O ATOM 1351 OE2 GLU A 88 4.239 9.103 13.155 1.00 0.00 O ATOM 0 H GLU A 88 1.776 5.567 12.367 1.00 0.00 H new ATOM 0 HA GLU A 88 2.898 7.313 10.397 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.778 5.320 12.382 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.734 5.280 10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.848 6.812 12.317 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.999 7.809 11.152 1.00 0.00 H new ATOM 1358 N ASP A 89 1.853 4.455 9.407 1.00 0.00 N ATOM 1359 CA ASP A 89 1.695 3.566 8.258 1.00 0.00 C ATOM 1360 C ASP A 89 1.629 4.355 6.948 1.00 0.00 C ATOM 1361 O ASP A 89 1.982 3.842 5.886 1.00 0.00 O ATOM 1362 CB ASP A 89 0.427 2.722 8.415 1.00 0.00 C ATOM 1363 CG ASP A 89 0.429 1.898 9.690 1.00 0.00 C ATOM 1364 OD1 ASP A 89 0.779 2.452 10.754 1.00 0.00 O ATOM 1365 OD2 ASP A 89 0.078 0.699 9.625 1.00 0.00 O ATOM 0 H ASP A 89 1.199 4.276 10.169 1.00 0.00 H new ATOM 0 HA ASP A 89 2.566 2.912 8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.444 3.377 8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.329 2.057 7.557 1.00 0.00 H new ATOM 1370 N PHE A 90 1.166 5.599 7.032 1.00 0.00 N ATOM 1371 CA PHE A 90 1.040 6.455 5.854 1.00 0.00 C ATOM 1372 C PHE A 90 2.376 7.089 5.452 1.00 0.00 C ATOM 1373 O PHE A 90 2.513 7.610 4.342 1.00 0.00 O ATOM 1374 CB PHE A 90 -0.014 7.543 6.105 1.00 0.00 C ATOM 1375 CG PHE A 90 0.459 8.689 6.967 1.00 0.00 C ATOM 1376 CD1 PHE A 90 1.433 8.505 7.938 1.00 0.00 C ATOM 1377 CD2 PHE A 90 -0.081 9.956 6.803 1.00 0.00 C ATOM 1378 CE1 PHE A 90 1.859 9.559 8.724 1.00 0.00 C ATOM 1379 CE2 PHE A 90 0.341 11.013 7.585 1.00 0.00 C ATOM 1380 CZ PHE A 90 1.312 10.815 8.546 1.00 0.00 C ATOM 0 H PHE A 90 0.871 6.038 7.904 1.00 0.00 H new ATOM 0 HA PHE A 90 0.721 5.825 5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.343 7.940 5.145 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.884 7.086 6.576 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.864 7.525 8.081 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.842 10.118 6.054 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.618 9.401 9.476 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.088 11.994 7.445 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.644 11.641 9.158 1.00 0.00 H new ATOM 1390 N SER A 91 3.357 7.044 6.354 1.00 0.00 N ATOM 1391 CA SER A 91 4.673 7.615 6.082 1.00 0.00 C ATOM 1392 C SER A 91 5.688 7.154 7.127 1.00 0.00 C ATOM 1393 O SER A 91 6.228 7.962 7.883 1.00 0.00 O ATOM 1394 CB SER A 91 4.601 9.145 6.067 1.00 0.00 C ATOM 1395 OG SER A 91 3.376 9.597 5.517 1.00 0.00 O ATOM 0 H SER A 91 3.264 6.619 7.276 1.00 0.00 H new ATOM 0 HA SER A 91 4.997 7.266 5.101 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.709 9.526 7.082 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.432 9.545 5.486 1.00 0.00 H new ATOM 0 HG SER A 91 3.229 9.168 4.648 1.00 0.00 H new ATOM 1401 N PRO A 92 5.954 5.838 7.190 1.00 0.00 N ATOM 1402 CA PRO A 92 6.897 5.263 8.150 1.00 0.00 C ATOM 1403 C PRO A 92 8.348 5.331 7.678 1.00 0.00 C ATOM 1404 O PRO A 92 8.952 4.310 7.352 1.00 0.00 O ATOM 1405 CB PRO A 92 6.433 3.812 8.234 1.00 0.00 C ATOM 1406 CG PRO A 92 5.920 3.510 6.868 1.00 0.00 C ATOM 1407 CD PRO A 92 5.345 4.799 6.334 1.00 0.00 C ATOM 0 HA PRO A 92 6.895 5.799 9.099 1.00 0.00 H new ATOM 0 HB2 PRO A 92 7.253 3.147 8.507 1.00 0.00 H new ATOM 0 HB3 PRO A 92 5.656 3.686 8.988 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.721 3.146 6.224 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.159 2.730 6.903 1.00 0.00 H new ATOM 0 HD2 PRO A 92 5.599 4.946 5.284 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.257 4.811 6.403 1.00 0.00 H new ATOM 1415 N ASP A 93 8.907 6.539 7.653 1.00 0.00 N ATOM 1416 CA ASP A 93 10.292 6.734 7.229 1.00 0.00 C ATOM 1417 C ASP A 93 10.682 8.207 7.289 1.00 0.00 C ATOM 1418 O ASP A 93 11.744 8.559 7.803 1.00 0.00 O ATOM 1419 CB ASP A 93 10.503 6.200 5.810 1.00 0.00 C ATOM 1420 CG ASP A 93 9.707 6.975 4.779 1.00 0.00 C ATOM 1421 OD1 ASP A 93 8.466 6.841 4.769 1.00 0.00 O ATOM 1422 OD2 ASP A 93 10.325 7.714 3.985 1.00 0.00 O ATOM 0 H ASP A 93 8.423 7.396 7.921 1.00 0.00 H new ATOM 0 HA ASP A 93 10.929 6.178 7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 93 11.563 6.249 5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.215 5.149 5.773 1.00 0.00 H new ATOM 1427 N GLY A 94 9.819 9.067 6.755 1.00 0.00 N ATOM 1428 CA GLY A 94 10.093 10.492 6.754 1.00 0.00 C ATOM 1429 C GLY A 94 8.944 11.304 7.313 1.00 0.00 C ATOM 1430 O GLY A 94 8.574 11.150 8.477 1.00 0.00 O ATOM 0 H GLY A 94 8.934 8.801 6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.991 10.686 7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.302 10.818 5.735 1.00 0.00 H new ATOM 1434 N GLY A 95 8.377 12.174 6.482 1.00 0.00 N ATOM 1435 CA GLY A 95 7.270 12.999 6.925 1.00 0.00 C ATOM 1436 C GLY A 95 6.424 13.519 5.778 1.00 0.00 C ATOM 1437 O GLY A 95 5.753 14.543 5.913 1.00 0.00 O ATOM 0 H GLY A 95 8.664 12.321 5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.640 12.420 7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.658 13.843 7.495 1.00 0.00 H new ATOM 1441 N TYR A 96 6.445 12.816 4.649 1.00 0.00 N ATOM 1442 CA TYR A 96 5.661 13.228 3.489 1.00 0.00 C ATOM 1443 C TYR A 96 4.171 13.169 3.807 1.00 0.00 C ATOM 1444 O TYR A 96 3.785 12.863 4.934 1.00 0.00 O ATOM 1445 CB TYR A 96 5.978 12.352 2.272 1.00 0.00 C ATOM 1446 CG TYR A 96 6.081 10.878 2.586 1.00 0.00 C ATOM 1447 CD1 TYR A 96 4.950 10.071 2.607 1.00 0.00 C ATOM 1448 CD2 TYR A 96 7.311 10.292 2.856 1.00 0.00 C ATOM 1449 CE1 TYR A 96 5.042 8.722 2.893 1.00 0.00 C ATOM 1450 CE2 TYR A 96 7.410 8.943 3.140 1.00 0.00 C ATOM 1451 CZ TYR A 96 6.273 8.164 3.159 1.00 0.00 C ATOM 1452 OH TYR A 96 6.367 6.824 3.447 1.00 0.00 O ATOM 0 H TYR A 96 6.991 11.966 4.513 1.00 0.00 H new ATOM 0 HA TYR A 96 5.930 14.256 3.248 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.203 12.499 1.519 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.918 12.686 1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 96 3.984 10.505 2.396 1.00 0.00 H new ATOM 0 HD2 TYR A 96 8.204 10.900 2.844 1.00 0.00 H new ATOM 0 HE1 TYR A 96 4.153 8.108 2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.374 8.501 3.346 1.00 0.00 H new ATOM 0 HH TYR A 96 7.299 6.535 3.360 1.00 0.00 H new ATOM 1462 N ILE A 97 3.339 13.475 2.819 1.00 0.00 N ATOM 1463 CA ILE A 97 1.895 13.467 3.020 1.00 0.00 C ATOM 1464 C ILE A 97 1.133 13.148 1.694 1.00 0.00 C ATOM 1465 O ILE A 97 0.445 14.101 1.323 1.00 0.00 O ATOM 1466 CB ILE A 97 1.415 14.832 3.548 1.00 0.00 C ATOM 1467 CG1 ILE A 97 2.168 15.951 2.832 1.00 0.00 C ATOM 1468 CG2 ILE A 97 1.612 14.927 5.052 1.00 0.00 C ATOM 1469 CD1 ILE A 97 1.320 17.168 2.547 1.00 0.00 C ATOM 0 H ILE A 97 3.636 13.730 1.877 1.00 0.00 H new ATOM 0 HA ILE A 97 1.678 12.687 3.750 1.00 0.00 H new ATOM 0 HB ILE A 97 0.349 14.936 3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.022 16.249 3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.564 15.567 1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.266 15.899 5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.042 14.139 5.544 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.670 14.811 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.922 17.920 2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.480 16.885 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.945 17.578 3.485 1.00 0.00 H new ATOM 1481 N PRO A 98 0.504 11.940 1.702 1.00 0.00 N ATOM 1482 CA PRO A 98 0.804 10.501 2.023 1.00 0.00 C ATOM 1483 C PRO A 98 1.339 9.783 0.794 1.00 0.00 C ATOM 1484 O PRO A 98 1.051 10.191 -0.336 1.00 0.00 O ATOM 1485 CB PRO A 98 -0.537 9.898 2.414 1.00 0.00 C ATOM 1486 CG PRO A 98 -1.010 10.954 3.260 1.00 0.00 C ATOM 1487 CD PRO A 98 0.159 11.878 3.196 1.00 0.00 C ATOM 0 HA PRO A 98 1.554 10.411 2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.186 9.720 1.557 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -0.436 8.948 2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -1.925 11.412 2.884 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.218 10.614 4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.090 12.864 3.589 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.997 11.503 3.784 1.00 0.00 H new ATOM 1495 N ARG A 99 2.116 8.720 1.026 1.00 0.00 N ATOM 1496 CA ARG A 99 2.712 7.928 -0.043 1.00 0.00 C ATOM 1497 C ARG A 99 2.270 6.471 0.054 1.00 0.00 C ATOM 1498 O ARG A 99 1.335 6.141 0.784 1.00 0.00 O ATOM 1499 CB ARG A 99 4.237 8.020 0.004 1.00 0.00 C ATOM 1500 CG ARG A 99 4.815 9.095 -0.895 1.00 0.00 C ATOM 1501 CD ARG A 99 4.416 10.488 -0.441 1.00 0.00 C ATOM 1502 NE ARG A 99 4.165 11.382 -1.570 1.00 0.00 N ATOM 1503 CZ ARG A 99 3.575 12.571 -1.458 1.00 0.00 C ATOM 1504 NH1 ARG A 99 3.158 13.003 -0.274 1.00 0.00 N ATOM 1505 NH2 ARG A 99 3.396 13.326 -2.533 1.00 0.00 N ATOM 0 H ARG A 99 2.347 8.388 1.963 1.00 0.00 H new ATOM 0 HA ARG A 99 2.368 8.332 -0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.548 8.213 1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.658 7.056 -0.281 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.902 9.014 -0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.474 8.935 -1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.521 10.425 0.177 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.206 10.906 0.183 1.00 0.00 H new ATOM 0 HE ARG A 99 4.459 11.077 -2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.289 12.424 0.555 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.707 13.914 -0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.710 12.996 -3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.944 14.236 -2.447 1.00 0.00 H new ATOM 1519 N ILE A 100 2.935 5.607 -0.704 1.00 0.00 N ATOM 1520 CA ILE A 100 2.597 4.185 -0.728 1.00 0.00 C ATOM 1521 C ILE A 100 3.587 3.332 0.067 1.00 0.00 C ATOM 1522 O ILE A 100 4.769 3.658 0.170 1.00 0.00 O ATOM 1523 CB ILE A 100 2.541 3.651 -2.177 1.00 0.00 C ATOM 1524 CG1 ILE A 100 3.949 3.487 -2.754 1.00 0.00 C ATOM 1525 CG2 ILE A 100 1.723 4.582 -3.055 1.00 0.00 C ATOM 1526 CD1 ILE A 100 4.425 2.051 -2.790 1.00 0.00 C ATOM 0 H ILE A 100 3.713 5.865 -1.312 1.00 0.00 H new ATOM 0 HA ILE A 100 1.616 4.104 -0.260 1.00 0.00 H new ATOM 0 HB ILE A 100 2.061 2.673 -2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.968 3.893 -3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.647 4.078 -2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.694 4.191 -4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.708 4.652 -2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.179 5.572 -3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.430 2.011 -3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.439 1.647 -1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.749 1.459 -3.408 1.00 0.00 H new ATOM 1538 N LEU A 101 3.086 2.217 0.597 1.00 0.00 N ATOM 1539 CA LEU A 101 3.909 1.279 1.355 1.00 0.00 C ATOM 1540 C LEU A 101 3.205 -0.070 1.478 1.00 0.00 C ATOM 1541 O LEU A 101 1.971 -0.146 1.516 1.00 0.00 O ATOM 1542 CB LEU A 101 4.264 1.827 2.745 1.00 0.00 C ATOM 1543 CG LEU A 101 3.151 2.573 3.483 1.00 0.00 C ATOM 1544 CD1 LEU A 101 2.943 3.955 2.886 1.00 0.00 C ATOM 1545 CD2 LEU A 101 1.863 1.772 3.454 1.00 0.00 C ATOM 0 H LEU A 101 2.108 1.941 0.514 1.00 0.00 H new ATOM 0 HA LEU A 101 4.841 1.143 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.590 0.994 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.116 2.499 2.641 1.00 0.00 H new ATOM 0 HG LEU A 101 3.451 2.697 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.147 4.468 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.866 4.529 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.667 3.860 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.083 2.318 3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.557 1.613 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.023 0.808 3.937 1.00 0.00 H new ATOM 1557 N PHE A 102 3.996 -1.139 1.527 1.00 0.00 N ATOM 1558 CA PHE A 102 3.436 -2.480 1.633 1.00 0.00 C ATOM 1559 C PHE A 102 3.358 -2.928 3.090 1.00 0.00 C ATOM 1560 O PHE A 102 4.099 -2.437 3.953 1.00 0.00 O ATOM 1561 CB PHE A 102 4.261 -3.475 0.815 1.00 0.00 C ATOM 1562 CG PHE A 102 4.564 -3.004 -0.581 1.00 0.00 C ATOM 1563 CD1 PHE A 102 3.668 -3.228 -1.614 1.00 0.00 C ATOM 1564 CD2 PHE A 102 5.746 -2.338 -0.860 1.00 0.00 C ATOM 1565 CE1 PHE A 102 3.947 -2.797 -2.898 1.00 0.00 C ATOM 1566 CE2 PHE A 102 6.032 -1.907 -2.140 1.00 0.00 C ATOM 1567 CZ PHE A 102 5.131 -2.136 -3.161 1.00 0.00 C ATOM 0 H PHE A 102 5.015 -1.103 1.495 1.00 0.00 H new ATOM 0 HA PHE A 102 2.424 -2.453 1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 102 5.199 -3.670 1.335 1.00 0.00 H new ATOM 0 HB3 PHE A 102 3.723 -4.422 0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.741 -3.745 -1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 102 6.454 -2.153 -0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.240 -2.977 -3.694 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.959 -1.391 -2.342 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.352 -1.799 -4.163 1.00 0.00 H new ATOM 1577 N LEU A 103 2.447 -3.853 3.367 1.00 0.00 N ATOM 1578 CA LEU A 103 2.274 -4.348 4.724 1.00 0.00 C ATOM 1579 C LEU A 103 1.858 -5.814 4.736 1.00 0.00 C ATOM 1580 O LEU A 103 1.601 -6.409 3.688 1.00 0.00 O ATOM 1581 CB LEU A 103 1.243 -3.496 5.462 1.00 0.00 C ATOM 1582 CG LEU A 103 -0.209 -3.735 5.077 1.00 0.00 C ATOM 1583 CD1 LEU A 103 -1.120 -2.759 5.797 1.00 0.00 C ATOM 1584 CD2 LEU A 103 -0.378 -3.613 3.574 1.00 0.00 C ATOM 0 H LEU A 103 1.823 -4.271 2.677 1.00 0.00 H new ATOM 0 HA LEU A 103 3.234 -4.274 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.350 -3.675 6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.477 -2.445 5.290 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.487 -4.745 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.154 -2.946 5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.015 -2.890 6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.847 -1.739 5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.421 -3.786 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.084 -2.613 3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.250 -4.352 3.076 1.00 0.00 H new ATOM 1596 N ASP A 104 1.800 -6.395 5.931 1.00 0.00 N ATOM 1597 CA ASP A 104 1.424 -7.795 6.080 1.00 0.00 C ATOM 1598 C ASP A 104 -0.095 -7.965 6.043 1.00 0.00 C ATOM 1599 O ASP A 104 -0.836 -7.126 6.574 1.00 0.00 O ATOM 1600 CB ASP A 104 1.987 -8.365 7.385 1.00 0.00 C ATOM 1601 CG ASP A 104 1.371 -7.726 8.614 1.00 0.00 C ATOM 1602 OD1 ASP A 104 0.137 -7.820 8.779 1.00 0.00 O ATOM 1603 OD2 ASP A 104 2.126 -7.132 9.413 1.00 0.00 O ATOM 0 H ASP A 104 2.008 -5.918 6.808 1.00 0.00 H new ATOM 0 HA ASP A 104 1.849 -8.347 5.241 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.812 -9.440 7.413 1.00 0.00 H new ATOM 0 HB3 ASP A 104 3.067 -8.217 7.406 1.00 0.00 H new ATOM 1608 N PRO A 105 -0.573 -9.061 5.412 1.00 0.00 N ATOM 1609 CA PRO A 105 -2.006 -9.357 5.294 1.00 0.00 C ATOM 1610 C PRO A 105 -2.731 -9.269 6.629 1.00 0.00 C ATOM 1611 O PRO A 105 -2.764 -10.232 7.395 1.00 0.00 O ATOM 1612 CB PRO A 105 -2.033 -10.793 4.765 1.00 0.00 C ATOM 1613 CG PRO A 105 -0.748 -10.947 4.030 1.00 0.00 C ATOM 1614 CD PRO A 105 0.254 -10.096 4.760 1.00 0.00 C ATOM 0 HA PRO A 105 -2.515 -8.641 4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.113 -11.514 5.579 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.887 -10.958 4.108 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.433 -11.990 4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.851 -10.626 2.994 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.816 -10.678 5.490 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.980 -9.656 4.076 1.00 0.00 H new ATOM 1622 N SER A 106 -3.309 -8.102 6.893 1.00 0.00 N ATOM 1623 CA SER A 106 -4.042 -7.852 8.132 1.00 0.00 C ATOM 1624 C SER A 106 -4.184 -6.351 8.359 1.00 0.00 C ATOM 1625 O SER A 106 -5.142 -5.891 8.980 1.00 0.00 O ATOM 1626 CB SER A 106 -3.331 -8.487 9.332 1.00 0.00 C ATOM 1627 OG SER A 106 -3.838 -9.786 9.593 1.00 0.00 O ATOM 0 H SER A 106 -3.284 -7.304 6.258 1.00 0.00 H new ATOM 0 HA SER A 106 -5.029 -8.304 8.037 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.260 -8.543 9.137 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.462 -7.858 10.212 1.00 0.00 H new ATOM 0 HG SER A 106 -3.790 -10.326 8.777 1.00 0.00 H new ATOM 1633 N GLY A 107 -3.215 -5.596 7.849 1.00 0.00 N ATOM 1634 CA GLY A 107 -3.235 -4.157 8.002 1.00 0.00 C ATOM 1635 C GLY A 107 -2.120 -3.665 8.900 1.00 0.00 C ATOM 1636 O GLY A 107 -2.322 -2.760 9.709 1.00 0.00 O ATOM 0 H GLY A 107 -2.415 -5.959 7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.145 -3.687 7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.196 -3.850 8.416 1.00 0.00 H new ATOM 1640 N LYS A 108 -0.939 -4.268 8.767 1.00 0.00 N ATOM 1641 CA LYS A 108 0.201 -3.877 9.592 1.00 0.00 C ATOM 1642 C LYS A 108 1.363 -3.357 8.745 1.00 0.00 C ATOM 1643 O LYS A 108 2.329 -4.079 8.491 1.00 0.00 O ATOM 1644 CB LYS A 108 0.663 -5.060 10.446 1.00 0.00 C ATOM 1645 CG LYS A 108 0.164 -5.005 11.880 1.00 0.00 C ATOM 1646 CD LYS A 108 1.306 -4.818 12.867 1.00 0.00 C ATOM 1647 CE LYS A 108 0.810 -4.810 14.303 1.00 0.00 C ATOM 1648 NZ LYS A 108 1.600 -5.729 15.168 1.00 0.00 N ATOM 0 H LYS A 108 -0.749 -5.020 8.104 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.125 -3.065 10.242 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.319 -5.986 9.986 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.753 -5.091 10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.547 -4.186 11.987 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.372 -5.925 12.114 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.034 -5.619 12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.821 -3.881 12.654 1.00 0.00 H new ATOM 0 HE2 LYS A 108 0.868 -3.797 14.701 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.240 -5.102 14.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.230 -5.695 16.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.525 -6.700 14.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.598 -5.435 15.167 1.00 0.00 H new ATOM 1662 N VAL A 109 1.265 -2.096 8.316 1.00 0.00 N ATOM 1663 CA VAL A 109 2.301 -1.468 7.513 1.00 0.00 C ATOM 1664 C VAL A 109 3.642 -1.503 8.214 1.00 0.00 C ATOM 1665 O VAL A 109 3.755 -1.188 9.398 1.00 0.00 O ATOM 1666 CB VAL A 109 1.924 -0.008 7.195 1.00 0.00 C ATOM 1667 CG1 VAL A 109 3.126 0.758 6.682 1.00 0.00 C ATOM 1668 CG2 VAL A 109 0.780 0.051 6.194 1.00 0.00 C ATOM 0 H VAL A 109 0.469 -1.491 8.517 1.00 0.00 H new ATOM 0 HA VAL A 109 2.383 -2.033 6.584 1.00 0.00 H new ATOM 0 HB VAL A 109 1.589 0.463 8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.836 1.786 6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.910 0.755 7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.498 0.285 5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.532 1.092 5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.080 -0.443 5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.093 -0.454 6.609 1.00 0.00 H new ATOM 1678 N HIS A 110 4.660 -1.877 7.458 1.00 0.00 N ATOM 1679 CA HIS A 110 6.009 -1.943 7.983 1.00 0.00 C ATOM 1680 C HIS A 110 6.981 -1.370 6.967 1.00 0.00 C ATOM 1681 O HIS A 110 6.887 -1.669 5.776 1.00 0.00 O ATOM 1682 CB HIS A 110 6.388 -3.387 8.320 1.00 0.00 C ATOM 1683 CG HIS A 110 7.486 -3.492 9.333 1.00 0.00 C ATOM 1684 ND1 HIS A 110 7.386 -2.973 10.606 1.00 0.00 N ATOM 1685 CD2 HIS A 110 8.713 -4.059 9.254 1.00 0.00 C ATOM 1686 CE1 HIS A 110 8.505 -3.217 11.268 1.00 0.00 C ATOM 1687 NE2 HIS A 110 9.325 -3.874 10.470 1.00 0.00 N ATOM 0 H HIS A 110 4.575 -2.140 6.476 1.00 0.00 H new ATOM 0 HA HIS A 110 6.058 -1.355 8.899 1.00 0.00 H new ATOM 0 HB2 HIS A 110 5.507 -3.908 8.694 1.00 0.00 H new ATOM 0 HB3 HIS A 110 6.696 -3.897 7.407 1.00 0.00 H new ATOM 0 HD2 HIS A 110 9.132 -4.563 8.396 1.00 0.00 H new ATOM 0 HE1 HIS A 110 8.712 -2.928 12.288 1.00 0.00 H new ATOM 0 HE2 HIS A 110 10.262 -4.193 10.716 1.00 0.00 H new ATOM 1696 N PRO A 111 7.931 -0.536 7.409 1.00 0.00 N ATOM 1697 CA PRO A 111 8.913 0.065 6.511 1.00 0.00 C ATOM 1698 C PRO A 111 9.912 -0.965 5.999 1.00 0.00 C ATOM 1699 O PRO A 111 11.111 -0.697 5.915 1.00 0.00 O ATOM 1700 CB PRO A 111 9.611 1.104 7.389 1.00 0.00 C ATOM 1701 CG PRO A 111 9.450 0.593 8.778 1.00 0.00 C ATOM 1702 CD PRO A 111 8.127 -0.120 8.808 1.00 0.00 C ATOM 0 HA PRO A 111 8.453 0.492 5.619 1.00 0.00 H new ATOM 0 HB2 PRO A 111 10.663 1.205 7.123 1.00 0.00 H new ATOM 0 HB3 PRO A 111 9.158 2.089 7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 111 10.263 -0.083 9.041 1.00 0.00 H new ATOM 0 HG3 PRO A 111 9.469 1.410 9.499 1.00 0.00 H new ATOM 0 HD2 PRO A 111 8.147 -0.976 9.483 1.00 0.00 H new ATOM 0 HD3 PRO A 111 7.325 0.535 9.148 1.00 0.00 H new ATOM 1710 N GLU A 112 9.407 -2.150 5.665 1.00 0.00 N ATOM 1711 CA GLU A 112 10.254 -3.226 5.169 1.00 0.00 C ATOM 1712 C GLU A 112 10.261 -3.257 3.645 1.00 0.00 C ATOM 1713 O GLU A 112 11.239 -3.682 3.028 1.00 0.00 O ATOM 1714 CB GLU A 112 9.776 -4.572 5.718 1.00 0.00 C ATOM 1715 CG GLU A 112 10.863 -5.357 6.435 1.00 0.00 C ATOM 1716 CD GLU A 112 10.659 -6.855 6.341 1.00 0.00 C ATOM 1717 OE1 GLU A 112 9.869 -7.400 7.141 1.00 0.00 O ATOM 1718 OE2 GLU A 112 11.287 -7.487 5.465 1.00 0.00 O ATOM 0 H GLU A 112 8.417 -2.387 5.729 1.00 0.00 H new ATOM 0 HA GLU A 112 11.272 -3.042 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.949 -4.401 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.387 -5.173 4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.833 -5.099 6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.887 -5.063 7.484 1.00 0.00 H new ATOM 1725 N ILE A 113 9.166 -2.810 3.039 1.00 0.00 N ATOM 1726 CA ILE A 113 9.056 -2.794 1.586 1.00 0.00 C ATOM 1727 C ILE A 113 8.687 -1.409 1.066 1.00 0.00 C ATOM 1728 O ILE A 113 7.556 -0.939 1.247 1.00 0.00 O ATOM 1729 CB ILE A 113 8.018 -3.814 1.085 1.00 0.00 C ATOM 1730 CG1 ILE A 113 8.172 -5.148 1.819 1.00 0.00 C ATOM 1731 CG2 ILE A 113 8.158 -4.011 -0.418 1.00 0.00 C ATOM 1732 CD1 ILE A 113 6.946 -5.540 2.616 1.00 0.00 C ATOM 0 H ILE A 113 8.345 -2.455 3.530 1.00 0.00 H new ATOM 0 HA ILE A 113 10.038 -3.068 1.200 1.00 0.00 H new ATOM 0 HB ILE A 113 7.022 -3.425 1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.390 -5.931 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.029 -5.088 2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.418 -4.735 -0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.998 -3.060 -0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.158 -4.379 -0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.124 -6.495 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.740 -4.776 3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.091 -5.632 1.946 1.00 0.00 H new ATOM 1744 N ILE A 114 9.652 -0.767 0.415 1.00 0.00 N ATOM 1745 CA ILE A 114 9.462 0.560 -0.150 1.00 0.00 C ATOM 1746 C ILE A 114 9.817 0.554 -1.644 1.00 0.00 C ATOM 1747 O ILE A 114 9.645 -0.459 -2.320 1.00 0.00 O ATOM 1748 CB ILE A 114 10.334 1.597 0.591 1.00 0.00 C ATOM 1749 CG1 ILE A 114 11.815 1.372 0.261 1.00 0.00 C ATOM 1750 CG2 ILE A 114 10.093 1.522 2.090 1.00 0.00 C ATOM 1751 CD1 ILE A 114 12.768 1.719 1.388 1.00 0.00 C ATOM 0 H ILE A 114 10.584 -1.153 0.266 1.00 0.00 H new ATOM 0 HA ILE A 114 8.414 0.837 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 114 10.055 2.596 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 114 11.959 0.326 -0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 114 12.074 1.968 -0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.716 2.260 2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.043 1.727 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.347 0.525 2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.793 1.530 1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.657 2.772 1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.540 1.105 2.259 1.00 0.00 H new ATOM 1763 N ASN A 115 10.321 1.678 -2.154 1.00 0.00 N ATOM 1764 CA ASN A 115 10.703 1.777 -3.559 1.00 0.00 C ATOM 1765 C ASN A 115 12.213 1.614 -3.720 1.00 0.00 C ATOM 1766 O ASN A 115 12.886 2.487 -4.264 1.00 0.00 O ATOM 1767 CB ASN A 115 10.266 3.122 -4.134 1.00 0.00 C ATOM 1768 CG ASN A 115 10.379 3.167 -5.645 1.00 0.00 C ATOM 1769 OD1 ASN A 115 10.841 2.213 -6.272 1.00 0.00 O ATOM 1770 ND2 ASN A 115 9.955 4.277 -6.236 1.00 0.00 N ATOM 0 H ASN A 115 10.473 2.530 -1.615 1.00 0.00 H new ATOM 0 HA ASN A 115 10.203 0.976 -4.104 1.00 0.00 H new ATOM 0 HB2 ASN A 115 9.235 3.321 -3.843 1.00 0.00 H new ATOM 0 HB3 ASN A 115 10.877 3.915 -3.703 1.00 0.00 H new ATOM 0 HD21 ASN A 115 10.005 4.365 -7.251 1.00 0.00 H new ATOM 0 HD22 ASN A 115 9.580 5.042 -5.675 1.00 0.00 H new ATOM 1777 N GLU A 116 12.737 0.492 -3.238 1.00 0.00 N ATOM 1778 CA GLU A 116 14.168 0.213 -3.323 1.00 0.00 C ATOM 1779 C GLU A 116 14.701 0.454 -4.735 1.00 0.00 C ATOM 1780 O GLU A 116 15.878 0.767 -4.919 1.00 0.00 O ATOM 1781 CB GLU A 116 14.451 -1.229 -2.893 1.00 0.00 C ATOM 1782 CG GLU A 116 15.334 -1.330 -1.662 1.00 0.00 C ATOM 1783 CD GLU A 116 16.773 -0.948 -1.943 1.00 0.00 C ATOM 1784 OE1 GLU A 116 17.469 -1.720 -2.635 1.00 0.00 O ATOM 1785 OE2 GLU A 116 17.205 0.125 -1.469 1.00 0.00 O ATOM 0 H GLU A 116 12.192 -0.241 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 116 14.683 0.897 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.505 -1.733 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 116 14.928 -1.759 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 116 14.936 -0.683 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 116 15.301 -2.350 -1.279 1.00 0.00 H new ATOM 1792 N ASN A 117 13.830 0.305 -5.729 1.00 0.00 N ATOM 1793 CA ASN A 117 14.217 0.506 -7.120 1.00 0.00 C ATOM 1794 C ASN A 117 14.167 1.986 -7.496 1.00 0.00 C ATOM 1795 O ASN A 117 14.870 2.428 -8.406 1.00 0.00 O ATOM 1796 CB ASN A 117 13.305 -0.302 -8.046 1.00 0.00 C ATOM 1797 CG ASN A 117 14.038 -1.443 -8.726 1.00 0.00 C ATOM 1798 OD1 ASN A 117 14.447 -1.332 -9.882 1.00 0.00 O ATOM 1799 ND2 ASN A 117 14.205 -2.548 -8.010 1.00 0.00 N ATOM 0 H ASN A 117 12.852 0.046 -5.596 1.00 0.00 H new ATOM 0 HA ASN A 117 15.243 0.158 -7.238 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.470 -0.702 -7.471 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.883 0.359 -8.804 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.689 -3.350 -8.415 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.849 -2.596 -7.055 1.00 0.00 H new ATOM 1806 N GLY A 118 13.331 2.745 -6.796 1.00 0.00 N ATOM 1807 CA GLY A 118 13.205 4.164 -7.078 1.00 0.00 C ATOM 1808 C GLY A 118 14.374 4.971 -6.545 1.00 0.00 C ATOM 1809 O GLY A 118 15.369 4.409 -6.087 1.00 0.00 O ATOM 0 H GLY A 118 12.739 2.404 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 118 13.128 4.311 -8.155 1.00 0.00 H new ATOM 0 HA3 GLY A 118 12.280 4.537 -6.638 1.00 0.00 H new ATOM 1813 N ASN A 119 14.254 6.294 -6.610 1.00 0.00 N ATOM 1814 CA ASN A 119 15.306 7.186 -6.135 1.00 0.00 C ATOM 1815 C ASN A 119 15.568 6.976 -4.645 1.00 0.00 C ATOM 1816 O ASN A 119 14.630 6.928 -3.849 1.00 0.00 O ATOM 1817 CB ASN A 119 14.916 8.644 -6.384 1.00 0.00 C ATOM 1818 CG ASN A 119 15.711 9.271 -7.513 1.00 0.00 C ATOM 1819 OD1 ASN A 119 15.995 8.626 -8.521 1.00 0.00 O ATOM 1820 ND2 ASN A 119 16.075 10.538 -7.348 1.00 0.00 N ATOM 0 H ASN A 119 13.436 6.773 -6.988 1.00 0.00 H new ATOM 0 HA ASN A 119 16.217 6.955 -6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.853 8.698 -6.619 1.00 0.00 H new ATOM 0 HB3 ASN A 119 15.071 9.219 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 119 16.612 11.013 -8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 119 15.818 11.036 -6.496 1.00 0.00 H new ATOM 1827 N PRO A 120 16.846 6.854 -4.237 1.00 0.00 N ATOM 1828 CA PRO A 120 17.210 6.656 -2.833 1.00 0.00 C ATOM 1829 C PRO A 120 17.106 7.944 -2.015 1.00 0.00 C ATOM 1830 O PRO A 120 17.968 8.229 -1.184 1.00 0.00 O ATOM 1831 CB PRO A 120 18.673 6.184 -2.892 1.00 0.00 C ATOM 1832 CG PRO A 120 19.005 6.035 -4.344 1.00 0.00 C ATOM 1833 CD PRO A 120 18.035 6.901 -5.092 1.00 0.00 C ATOM 0 HA PRO A 120 16.540 5.948 -2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 120 19.335 6.906 -2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 120 18.799 5.238 -2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 120 20.032 6.343 -4.541 1.00 0.00 H new ATOM 0 HG3 PRO A 120 18.918 4.995 -4.657 1.00 0.00 H new ATOM 0 HD2 PRO A 120 18.408 7.918 -5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 120 17.832 6.515 -6.091 1.00 0.00 H new ATOM 1841 N SER A 121 16.050 8.719 -2.253 1.00 0.00 N ATOM 1842 CA SER A 121 15.842 9.968 -1.535 1.00 0.00 C ATOM 1843 C SER A 121 14.380 10.133 -1.123 1.00 0.00 C ATOM 1844 O SER A 121 14.015 11.133 -0.504 1.00 0.00 O ATOM 1845 CB SER A 121 16.274 11.154 -2.401 1.00 0.00 C ATOM 1846 OG SER A 121 16.945 12.132 -1.626 1.00 0.00 O ATOM 0 H SER A 121 15.327 8.501 -2.938 1.00 0.00 H new ATOM 0 HA SER A 121 16.451 9.940 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 121 16.929 10.806 -3.200 1.00 0.00 H new ATOM 0 HB3 SER A 121 15.400 11.599 -2.877 1.00 0.00 H new ATOM 0 HG SER A 121 17.212 12.879 -2.202 1.00 0.00 H new ATOM 1852 N TYR A 122 13.544 9.152 -1.462 1.00 0.00 N ATOM 1853 CA TYR A 122 12.131 9.214 -1.112 1.00 0.00 C ATOM 1854 C TYR A 122 11.535 7.824 -0.908 1.00 0.00 C ATOM 1855 O TYR A 122 10.664 7.640 -0.058 1.00 0.00 O ATOM 1856 CB TYR A 122 11.340 9.992 -2.172 1.00 0.00 C ATOM 1857 CG TYR A 122 11.420 9.449 -3.584 1.00 0.00 C ATOM 1858 CD1 TYR A 122 10.945 8.181 -3.900 1.00 0.00 C ATOM 1859 CD2 TYR A 122 11.948 10.222 -4.609 1.00 0.00 C ATOM 1860 CE1 TYR A 122 10.996 7.702 -5.195 1.00 0.00 C ATOM 1861 CE2 TYR A 122 12.003 9.749 -5.904 1.00 0.00 C ATOM 1862 CZ TYR A 122 11.526 8.488 -6.191 1.00 0.00 C ATOM 1863 OH TYR A 122 11.577 8.015 -7.483 1.00 0.00 O ATOM 0 H TYR A 122 13.820 8.314 -1.974 1.00 0.00 H new ATOM 0 HA TYR A 122 12.055 9.745 -0.163 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.293 10.017 -1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 122 11.694 11.023 -2.179 1.00 0.00 H new ATOM 0 HD1 TYR A 122 10.529 7.560 -3.120 1.00 0.00 H new ATOM 0 HD2 TYR A 122 12.322 11.211 -4.389 1.00 0.00 H new ATOM 0 HE1 TYR A 122 10.621 6.715 -5.424 1.00 0.00 H new ATOM 0 HE2 TYR A 122 12.418 10.364 -6.689 1.00 0.00 H new ATOM 0 HH TYR A 122 11.979 8.694 -8.064 1.00 0.00 H new ATOM 1873 N LYS A 123 12.002 6.850 -1.682 1.00 0.00 N ATOM 1874 CA LYS A 123 11.507 5.482 -1.574 1.00 0.00 C ATOM 1875 C LYS A 123 9.977 5.430 -1.686 1.00 0.00 C ATOM 1876 O LYS A 123 9.426 5.242 -2.769 1.00 0.00 O ATOM 1877 CB LYS A 123 11.951 4.860 -0.243 1.00 0.00 C ATOM 1878 CG LYS A 123 13.399 4.400 -0.217 1.00 0.00 C ATOM 1879 CD LYS A 123 13.684 3.354 -1.284 1.00 0.00 C ATOM 1880 CE LYS A 123 14.828 3.780 -2.182 1.00 0.00 C ATOM 1881 NZ LYS A 123 14.346 4.435 -3.429 1.00 0.00 N ATOM 0 H LYS A 123 12.723 6.982 -2.391 1.00 0.00 H new ATOM 0 HA LYS A 123 11.929 4.910 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 123 11.800 5.589 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 123 11.308 4.008 -0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.055 5.258 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 123 13.631 3.988 0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 123 13.927 2.404 -0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 123 12.789 3.191 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 123 15.478 4.467 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 123 15.430 2.909 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 15.048 4.301 -4.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 13.441 4.010 -3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 14.212 5.452 -3.257 1.00 0.00 H new ATOM 1895 N TYR A 124 9.305 5.588 -0.551 1.00 0.00 N ATOM 1896 CA TYR A 124 7.846 5.547 -0.481 1.00 0.00 C ATOM 1897 C TYR A 124 7.182 6.371 -1.584 1.00 0.00 C ATOM 1898 O TYR A 124 6.082 6.041 -2.031 1.00 0.00 O ATOM 1899 CB TYR A 124 7.381 6.031 0.891 1.00 0.00 C ATOM 1900 CG TYR A 124 7.795 5.109 2.018 1.00 0.00 C ATOM 1901 CD1 TYR A 124 9.087 5.137 2.526 1.00 0.00 C ATOM 1902 CD2 TYR A 124 6.893 4.210 2.568 1.00 0.00 C ATOM 1903 CE1 TYR A 124 9.468 4.294 3.551 1.00 0.00 C ATOM 1904 CE2 TYR A 124 7.266 3.364 3.595 1.00 0.00 C ATOM 1905 CZ TYR A 124 8.554 3.410 4.083 1.00 0.00 C ATOM 1906 OH TYR A 124 8.932 2.570 5.103 1.00 0.00 O ATOM 0 H TYR A 124 9.756 5.749 0.350 1.00 0.00 H new ATOM 0 HA TYR A 124 7.542 4.511 -0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.787 7.026 1.076 1.00 0.00 H new ATOM 0 HB3 TYR A 124 6.295 6.126 0.887 1.00 0.00 H new ATOM 0 HD1 TYR A 124 9.805 5.829 2.113 1.00 0.00 H new ATOM 0 HD2 TYR A 124 5.883 4.171 2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 124 10.477 4.327 3.934 1.00 0.00 H new ATOM 0 HE2 TYR A 124 6.552 2.670 4.013 1.00 0.00 H new ATOM 0 HH TYR A 124 9.886 2.363 5.019 1.00 0.00 H new ATOM 1916 N PHE A 125 7.845 7.436 -2.026 1.00 0.00 N ATOM 1917 CA PHE A 125 7.294 8.278 -3.084 1.00 0.00 C ATOM 1918 C PHE A 125 7.359 7.542 -4.418 1.00 0.00 C ATOM 1919 O PHE A 125 8.408 7.020 -4.794 1.00 0.00 O ATOM 1920 CB PHE A 125 8.056 9.601 -3.172 1.00 0.00 C ATOM 1921 CG PHE A 125 7.246 10.725 -3.751 1.00 0.00 C ATOM 1922 CD1 PHE A 125 6.671 10.607 -5.006 1.00 0.00 C ATOM 1923 CD2 PHE A 125 7.061 11.900 -3.040 1.00 0.00 C ATOM 1924 CE1 PHE A 125 5.927 11.641 -5.542 1.00 0.00 C ATOM 1925 CE2 PHE A 125 6.318 12.937 -3.572 1.00 0.00 C ATOM 1926 CZ PHE A 125 5.751 12.807 -4.824 1.00 0.00 C ATOM 0 H PHE A 125 8.754 7.734 -1.673 1.00 0.00 H new ATOM 0 HA PHE A 125 6.253 8.498 -2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.393 9.884 -2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 125 8.949 9.457 -3.781 1.00 0.00 H new ATOM 0 HD1 PHE A 125 6.806 9.697 -5.572 1.00 0.00 H new ATOM 0 HD2 PHE A 125 7.502 12.007 -2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 125 5.484 11.537 -6.521 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.181 13.848 -3.009 1.00 0.00 H new ATOM 0 HZ PHE A 125 5.170 13.616 -5.241 1.00 0.00 H new ATOM 1936 N TYR A 126 6.234 7.479 -5.122 1.00 0.00 N ATOM 1937 CA TYR A 126 6.185 6.779 -6.402 1.00 0.00 C ATOM 1938 C TYR A 126 5.686 7.676 -7.529 1.00 0.00 C ATOM 1939 O TYR A 126 4.482 7.847 -7.713 1.00 0.00 O ATOM 1940 CB TYR A 126 5.290 5.545 -6.293 1.00 0.00 C ATOM 1941 CG TYR A 126 6.037 4.282 -5.926 1.00 0.00 C ATOM 1942 CD1 TYR A 126 6.251 3.943 -4.597 1.00 0.00 C ATOM 1943 CD2 TYR A 126 6.524 3.429 -6.906 1.00 0.00 C ATOM 1944 CE1 TYR A 126 6.928 2.789 -4.255 1.00 0.00 C ATOM 1945 CE2 TYR A 126 7.203 2.273 -6.573 1.00 0.00 C ATOM 1946 CZ TYR A 126 7.402 1.957 -5.247 1.00 0.00 C ATOM 1947 OH TYR A 126 8.077 0.806 -4.910 1.00 0.00 O ATOM 0 H TYR A 126 5.351 7.900 -4.832 1.00 0.00 H new ATOM 0 HA TYR A 126 7.204 6.477 -6.644 1.00 0.00 H new ATOM 0 HB2 TYR A 126 4.519 5.731 -5.545 1.00 0.00 H new ATOM 0 HB3 TYR A 126 4.780 5.392 -7.244 1.00 0.00 H new ATOM 0 HD1 TYR A 126 5.882 4.593 -3.817 1.00 0.00 H new ATOM 0 HD2 TYR A 126 6.370 3.673 -7.947 1.00 0.00 H new ATOM 0 HE1 TYR A 126 7.085 2.540 -3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 126 7.576 1.620 -7.348 1.00 0.00 H new ATOM 0 HH TYR A 126 7.439 0.067 -4.820 1.00 0.00 H new ATOM 1957 N VAL A 127 6.620 8.221 -8.300 1.00 0.00 N ATOM 1958 CA VAL A 127 6.275 9.077 -9.431 1.00 0.00 C ATOM 1959 C VAL A 127 6.582 8.353 -10.739 1.00 0.00 C ATOM 1960 O VAL A 127 7.416 8.795 -11.531 1.00 0.00 O ATOM 1961 CB VAL A 127 7.028 10.430 -9.399 1.00 0.00 C ATOM 1962 CG1 VAL A 127 6.106 11.543 -8.923 1.00 0.00 C ATOM 1963 CG2 VAL A 127 8.271 10.348 -8.522 1.00 0.00 C ATOM 0 H VAL A 127 7.622 8.086 -8.163 1.00 0.00 H new ATOM 0 HA VAL A 127 5.209 9.293 -9.360 1.00 0.00 H new ATOM 0 HB VAL A 127 7.351 10.659 -10.414 1.00 0.00 H new ATOM 0 HG11 VAL A 127 6.652 12.486 -8.907 1.00 0.00 H new ATOM 0 HG12 VAL A 127 5.257 11.627 -9.601 1.00 0.00 H new ATOM 0 HG13 VAL A 127 5.747 11.314 -7.919 1.00 0.00 H new ATOM 0 HG21 VAL A 127 8.779 11.313 -8.519 1.00 0.00 H new ATOM 0 HG22 VAL A 127 7.981 10.087 -7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.944 9.585 -8.914 1.00 0.00 H new ATOM 1973 N SER A 128 5.901 7.228 -10.947 1.00 0.00 N ATOM 1974 CA SER A 128 6.085 6.410 -12.146 1.00 0.00 C ATOM 1975 C SER A 128 5.478 5.020 -11.954 1.00 0.00 C ATOM 1976 O SER A 128 5.833 4.300 -11.017 1.00 0.00 O ATOM 1977 CB SER A 128 7.574 6.279 -12.492 1.00 0.00 C ATOM 1978 OG SER A 128 7.803 5.177 -13.352 1.00 0.00 O ATOM 0 H SER A 128 5.210 6.859 -10.294 1.00 0.00 H new ATOM 0 HA SER A 128 5.573 6.908 -12.969 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.921 7.195 -12.970 1.00 0.00 H new ATOM 0 HB3 SER A 128 8.154 6.157 -11.577 1.00 0.00 H new ATOM 0 HG SER A 128 8.759 5.116 -13.559 1.00 0.00 H new ATOM 1984 N ALA A 129 4.564 4.648 -12.846 1.00 0.00 N ATOM 1985 CA ALA A 129 3.904 3.349 -12.780 1.00 0.00 C ATOM 1986 C ALA A 129 4.910 2.209 -12.912 1.00 0.00 C ATOM 1987 O ALA A 129 4.779 1.173 -12.262 1.00 0.00 O ATOM 1988 CB ALA A 129 2.844 3.244 -13.865 1.00 0.00 C ATOM 0 H ALA A 129 4.263 5.232 -13.626 1.00 0.00 H new ATOM 0 HA ALA A 129 3.426 3.263 -11.804 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.358 2.270 -13.806 1.00 0.00 H new ATOM 0 HB2 ALA A 129 2.101 4.029 -13.725 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.312 3.357 -14.843 1.00 0.00 H new ATOM 1994 N GLU A 130 5.913 2.405 -13.759 1.00 0.00 N ATOM 1995 CA GLU A 130 6.936 1.388 -13.978 1.00 0.00 C ATOM 1996 C GLU A 130 7.510 0.887 -12.654 1.00 0.00 C ATOM 1997 O GLU A 130 7.408 -0.294 -12.329 1.00 0.00 O ATOM 1998 CB GLU A 130 8.057 1.945 -14.860 1.00 0.00 C ATOM 1999 CG GLU A 130 8.240 1.179 -16.160 1.00 0.00 C ATOM 2000 CD GLU A 130 7.224 1.574 -17.215 1.00 0.00 C ATOM 2001 OE1 GLU A 130 7.349 2.685 -17.774 1.00 0.00 O ATOM 2002 OE2 GLU A 130 6.303 0.774 -17.480 1.00 0.00 O ATOM 0 H GLU A 130 6.041 3.257 -14.305 1.00 0.00 H new ATOM 0 HA GLU A 130 6.468 0.545 -14.485 1.00 0.00 H new ATOM 0 HB2 GLU A 130 7.844 2.989 -15.089 1.00 0.00 H new ATOM 0 HB3 GLU A 130 8.993 1.926 -14.301 1.00 0.00 H new ATOM 0 HG2 GLU A 130 9.245 1.356 -16.544 1.00 0.00 H new ATOM 0 HG3 GLU A 130 8.157 0.110 -15.963 1.00 0.00 H new ATOM 2009 N GLN A 131 8.125 1.786 -11.897 1.00 0.00 N ATOM 2010 CA GLN A 131 8.726 1.418 -10.620 1.00 0.00 C ATOM 2011 C GLN A 131 7.736 0.705 -9.701 1.00 0.00 C ATOM 2012 O GLN A 131 8.104 -0.242 -9.004 1.00 0.00 O ATOM 2013 CB GLN A 131 9.291 2.641 -9.903 1.00 0.00 C ATOM 2014 CG GLN A 131 8.448 3.897 -10.045 1.00 0.00 C ATOM 2015 CD GLN A 131 9.090 5.104 -9.388 1.00 0.00 C ATOM 2016 OE1 GLN A 131 10.201 5.500 -9.743 1.00 0.00 O ATOM 2017 NE2 GLN A 131 8.397 5.692 -8.424 1.00 0.00 N ATOM 0 H GLN A 131 8.221 2.771 -12.143 1.00 0.00 H new ATOM 0 HA GLN A 131 9.538 0.728 -10.850 1.00 0.00 H new ATOM 0 HB2 GLN A 131 9.399 2.408 -8.844 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.290 2.843 -10.288 1.00 0.00 H new ATOM 0 HG2 GLN A 131 8.288 4.105 -11.103 1.00 0.00 H new ATOM 0 HG3 GLN A 131 7.467 3.725 -9.602 1.00 0.00 H new ATOM 0 HE21 GLN A 131 7.480 5.330 -8.162 1.00 0.00 H new ATOM 0 HE22 GLN A 131 8.781 6.506 -7.944 1.00 0.00 H new ATOM 2026 N VAL A 132 6.485 1.160 -9.690 1.00 0.00 N ATOM 2027 CA VAL A 132 5.466 0.547 -8.833 1.00 0.00 C ATOM 2028 C VAL A 132 5.450 -0.969 -9.011 1.00 0.00 C ATOM 2029 O VAL A 132 5.273 -1.714 -8.048 1.00 0.00 O ATOM 2030 CB VAL A 132 4.042 1.117 -9.080 1.00 0.00 C ATOM 2031 CG1 VAL A 132 4.093 2.565 -9.534 1.00 0.00 C ATOM 2032 CG2 VAL A 132 3.256 0.267 -10.074 1.00 0.00 C ATOM 0 H VAL A 132 6.153 1.941 -10.256 1.00 0.00 H new ATOM 0 HA VAL A 132 5.742 0.795 -7.808 1.00 0.00 H new ATOM 0 HB VAL A 132 3.517 1.081 -8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 132 3.079 2.931 -9.697 1.00 0.00 H new ATOM 0 HG12 VAL A 132 4.578 3.170 -8.768 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.658 2.635 -10.463 1.00 0.00 H new ATOM 0 HG21 VAL A 132 2.266 0.699 -10.219 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.784 0.241 -11.027 1.00 0.00 H new ATOM 0 HG23 VAL A 132 3.156 -0.747 -9.686 1.00 0.00 H new ATOM 2042 N VAL A 133 5.641 -1.417 -10.249 1.00 0.00 N ATOM 2043 CA VAL A 133 5.652 -2.844 -10.539 1.00 0.00 C ATOM 2044 C VAL A 133 6.973 -3.479 -10.118 1.00 0.00 C ATOM 2045 O VAL A 133 7.029 -4.673 -9.833 1.00 0.00 O ATOM 2046 CB VAL A 133 5.399 -3.137 -12.033 1.00 0.00 C ATOM 2047 CG1 VAL A 133 6.596 -2.732 -12.883 1.00 0.00 C ATOM 2048 CG2 VAL A 133 5.075 -4.608 -12.233 1.00 0.00 C ATOM 0 H VAL A 133 5.789 -0.816 -11.060 1.00 0.00 H new ATOM 0 HA VAL A 133 4.838 -3.282 -9.962 1.00 0.00 H new ATOM 0 HB VAL A 133 4.544 -2.543 -12.356 1.00 0.00 H new ATOM 0 HG11 VAL A 133 6.389 -2.950 -13.931 1.00 0.00 H new ATOM 0 HG12 VAL A 133 6.782 -1.665 -12.765 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.475 -3.291 -12.563 1.00 0.00 H new ATOM 0 HG21 VAL A 133 4.899 -4.801 -13.291 1.00 0.00 H new ATOM 0 HG22 VAL A 133 5.912 -5.215 -11.888 1.00 0.00 H new ATOM 0 HG23 VAL A 133 4.182 -4.864 -11.664 1.00 0.00 H new ATOM 2058 N GLN A 134 8.034 -2.674 -10.072 1.00 0.00 N ATOM 2059 CA GLN A 134 9.340 -3.173 -9.675 1.00 0.00 C ATOM 2060 C GLN A 134 9.333 -3.462 -8.187 1.00 0.00 C ATOM 2061 O GLN A 134 9.591 -4.583 -7.752 1.00 0.00 O ATOM 2062 CB GLN A 134 10.420 -2.155 -10.008 1.00 0.00 C ATOM 2063 CG GLN A 134 10.233 -1.487 -11.357 1.00 0.00 C ATOM 2064 CD GLN A 134 10.782 -2.314 -12.503 1.00 0.00 C ATOM 2065 OE1 GLN A 134 11.863 -2.036 -13.022 1.00 0.00 O ATOM 2066 NE2 GLN A 134 10.035 -3.336 -12.904 1.00 0.00 N ATOM 0 H GLN A 134 8.011 -1.681 -10.304 1.00 0.00 H new ATOM 0 HA GLN A 134 9.556 -4.091 -10.222 1.00 0.00 H new ATOM 0 HB2 GLN A 134 10.437 -1.389 -9.232 1.00 0.00 H new ATOM 0 HB3 GLN A 134 11.391 -2.649 -9.989 1.00 0.00 H new ATOM 0 HG2 GLN A 134 9.171 -1.304 -11.523 1.00 0.00 H new ATOM 0 HG3 GLN A 134 10.726 -0.515 -11.348 1.00 0.00 H new ATOM 0 HE21 GLN A 134 9.145 -3.529 -12.444 1.00 0.00 H new ATOM 0 HE22 GLN A 134 10.351 -3.928 -13.672 1.00 0.00 H new ATOM 2075 N GLY A 135 8.987 -2.441 -7.417 1.00 0.00 N ATOM 2076 CA GLY A 135 8.890 -2.597 -5.984 1.00 0.00 C ATOM 2077 C GLY A 135 7.847 -3.634 -5.646 1.00 0.00 C ATOM 2078 O GLY A 135 7.900 -4.272 -4.593 1.00 0.00 O ATOM 0 H GLY A 135 8.772 -1.506 -7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.856 -2.895 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 135 8.630 -1.644 -5.523 1.00 0.00 H new ATOM 2082 N MET A 136 6.915 -3.832 -6.580 1.00 0.00 N ATOM 2083 CA MET A 136 5.874 -4.834 -6.417 1.00 0.00 C ATOM 2084 C MET A 136 6.435 -6.182 -6.840 1.00 0.00 C ATOM 2085 O MET A 136 6.031 -7.232 -6.345 1.00 0.00 O ATOM 2086 CB MET A 136 4.647 -4.482 -7.262 1.00 0.00 C ATOM 2087 CG MET A 136 3.614 -3.651 -6.519 1.00 0.00 C ATOM 2088 SD MET A 136 2.551 -2.708 -7.628 1.00 0.00 S ATOM 2089 CE MET A 136 1.562 -4.018 -8.346 1.00 0.00 C ATOM 0 H MET A 136 6.864 -3.309 -7.455 1.00 0.00 H new ATOM 0 HA MET A 136 5.560 -4.870 -5.374 1.00 0.00 H new ATOM 0 HB2 MET A 136 4.971 -3.936 -8.148 1.00 0.00 H new ATOM 0 HB3 MET A 136 4.179 -5.403 -7.609 1.00 0.00 H new ATOM 0 HG2 MET A 136 2.999 -4.308 -5.904 1.00 0.00 H new ATOM 0 HG3 MET A 136 4.124 -2.966 -5.841 1.00 0.00 H new ATOM 0 HE1 MET A 136 0.596 -3.618 -8.653 1.00 0.00 H new ATOM 0 HE2 MET A 136 2.077 -4.428 -9.215 1.00 0.00 H new ATOM 0 HE3 MET A 136 1.411 -4.806 -7.608 1.00 0.00 H new ATOM 2099 N LYS A 137 7.389 -6.112 -7.761 1.00 0.00 N ATOM 2100 CA LYS A 137 8.065 -7.280 -8.291 1.00 0.00 C ATOM 2101 C LYS A 137 9.085 -7.829 -7.291 1.00 0.00 C ATOM 2102 O LYS A 137 9.563 -8.954 -7.435 1.00 0.00 O ATOM 2103 CB LYS A 137 8.769 -6.886 -9.594 1.00 0.00 C ATOM 2104 CG LYS A 137 8.004 -7.254 -10.860 1.00 0.00 C ATOM 2105 CD LYS A 137 7.455 -8.672 -10.808 1.00 0.00 C ATOM 2106 CE LYS A 137 6.991 -9.140 -12.178 1.00 0.00 C ATOM 2107 NZ LYS A 137 7.350 -10.562 -12.432 1.00 0.00 N ATOM 0 H LYS A 137 7.715 -5.232 -8.162 1.00 0.00 H new ATOM 0 HA LYS A 137 7.331 -8.063 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 137 8.941 -5.810 -9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 137 9.747 -7.365 -9.623 1.00 0.00 H new ATOM 0 HG2 LYS A 137 7.182 -6.553 -11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 137 8.662 -7.153 -11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 137 8.224 -9.347 -10.433 1.00 0.00 H new ATOM 0 HD3 LYS A 137 6.622 -8.715 -10.106 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.910 -9.019 -12.256 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.438 -8.510 -12.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.016 -10.841 -13.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 8.383 -10.673 -12.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.903 -11.167 -11.714 1.00 0.00 H new ATOM 2121 N GLU A 138 9.418 -7.026 -6.281 1.00 0.00 N ATOM 2122 CA GLU A 138 10.383 -7.432 -5.265 1.00 0.00 C ATOM 2123 C GLU A 138 9.691 -8.145 -4.113 1.00 0.00 C ATOM 2124 O GLU A 138 9.916 -9.332 -3.877 1.00 0.00 O ATOM 2125 CB GLU A 138 11.149 -6.216 -4.739 1.00 0.00 C ATOM 2126 CG GLU A 138 12.321 -6.576 -3.839 1.00 0.00 C ATOM 2127 CD GLU A 138 12.073 -6.219 -2.387 1.00 0.00 C ATOM 2128 OE1 GLU A 138 11.341 -6.969 -1.708 1.00 0.00 O ATOM 2129 OE2 GLU A 138 12.611 -5.189 -1.929 1.00 0.00 O ATOM 0 H GLU A 138 9.033 -6.091 -6.146 1.00 0.00 H new ATOM 0 HA GLU A 138 11.087 -8.123 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 138 11.517 -5.635 -5.585 1.00 0.00 H new ATOM 0 HB3 GLU A 138 10.461 -5.575 -4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 138 12.519 -7.645 -3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 138 13.215 -6.059 -4.189 1.00 0.00 H new ATOM 2136 N ALA A 139 8.843 -7.413 -3.403 1.00 0.00 N ATOM 2137 CA ALA A 139 8.108 -7.975 -2.276 1.00 0.00 C ATOM 2138 C ALA A 139 7.244 -9.154 -2.717 1.00 0.00 C ATOM 2139 O ALA A 139 6.831 -9.976 -1.898 1.00 0.00 O ATOM 2140 CB ALA A 139 7.252 -6.906 -1.616 1.00 0.00 C ATOM 0 H ALA A 139 8.647 -6.429 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 139 8.832 -8.342 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 139 6.710 -7.341 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 139 7.891 -6.099 -1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 139 6.541 -6.510 -2.341 1.00 0.00 H new ATOM 2146 N GLN A 140 6.969 -9.230 -4.017 1.00 0.00 N ATOM 2147 CA GLN A 140 6.152 -10.303 -4.570 1.00 0.00 C ATOM 2148 C GLN A 140 6.778 -11.678 -4.330 1.00 0.00 C ATOM 2149 O GLN A 140 6.116 -12.700 -4.496 1.00 0.00 O ATOM 2150 CB GLN A 140 5.951 -10.090 -6.072 1.00 0.00 C ATOM 2151 CG GLN A 140 4.516 -9.766 -6.454 1.00 0.00 C ATOM 2152 CD GLN A 140 3.988 -10.673 -7.550 1.00 0.00 C ATOM 2153 OE1 GLN A 140 3.127 -11.520 -7.309 1.00 0.00 O ATOM 2154 NE2 GLN A 140 4.503 -10.499 -8.762 1.00 0.00 N ATOM 0 H GLN A 140 7.302 -8.558 -4.708 1.00 0.00 H new ATOM 0 HA GLN A 140 5.190 -10.276 -4.059 1.00 0.00 H new ATOM 0 HB2 GLN A 140 6.599 -9.279 -6.405 1.00 0.00 H new ATOM 0 HB3 GLN A 140 6.266 -10.988 -6.603 1.00 0.00 H new ATOM 0 HG2 GLN A 140 3.880 -9.857 -5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.457 -8.729 -6.785 1.00 0.00 H new ATOM 0 HE21 GLN A 140 5.215 -9.785 -8.916 1.00 0.00 H new ATOM 0 HE22 GLN A 140 4.187 -11.080 -9.539 1.00 0.00 H new ATOM 2163 N GLU A 141 8.054 -11.704 -3.959 1.00 0.00 N ATOM 2164 CA GLU A 141 8.750 -12.966 -3.724 1.00 0.00 C ATOM 2165 C GLU A 141 8.916 -13.254 -2.233 1.00 0.00 C ATOM 2166 O GLU A 141 9.011 -14.412 -1.826 1.00 0.00 O ATOM 2167 CB GLU A 141 10.120 -12.943 -4.408 1.00 0.00 C ATOM 2168 CG GLU A 141 10.972 -14.163 -4.102 1.00 0.00 C ATOM 2169 CD GLU A 141 11.945 -14.491 -5.218 1.00 0.00 C ATOM 2170 OE1 GLU A 141 12.955 -13.768 -5.357 1.00 0.00 O ATOM 2171 OE2 GLU A 141 11.699 -15.470 -5.952 1.00 0.00 O ATOM 0 H GLU A 141 8.625 -10.871 -3.815 1.00 0.00 H new ATOM 0 HA GLU A 141 8.142 -13.764 -4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.977 -12.871 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.657 -12.047 -4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.527 -13.991 -3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 141 10.322 -15.021 -3.928 1.00 0.00 H new ATOM 2178 N ARG A 142 8.967 -12.203 -1.425 1.00 0.00 N ATOM 2179 CA ARG A 142 9.141 -12.361 0.016 1.00 0.00 C ATOM 2180 C ARG A 142 7.805 -12.332 0.756 1.00 0.00 C ATOM 2181 O ARG A 142 7.523 -13.204 1.577 1.00 0.00 O ATOM 2182 CB ARG A 142 10.057 -11.263 0.559 1.00 0.00 C ATOM 2183 CG ARG A 142 11.370 -11.136 -0.199 1.00 0.00 C ATOM 2184 CD ARG A 142 11.643 -9.698 -0.609 1.00 0.00 C ATOM 2185 NE ARG A 142 12.929 -9.558 -1.292 1.00 0.00 N ATOM 2186 CZ ARG A 142 14.099 -9.484 -0.661 1.00 0.00 C ATOM 2187 NH1 ARG A 142 14.152 -9.540 0.665 1.00 0.00 N ATOM 2188 NH2 ARG A 142 15.220 -9.357 -1.358 1.00 0.00 N ATOM 0 H ARG A 142 8.891 -11.236 -1.739 1.00 0.00 H new ATOM 0 HA ARG A 142 9.597 -13.336 0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.530 -10.309 0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 142 10.271 -11.466 1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 142 12.187 -11.498 0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 142 11.341 -11.769 -1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.845 -9.350 -1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.631 -9.060 0.275 1.00 0.00 H new ATOM 0 HE ARG A 142 12.929 -9.515 -2.311 1.00 0.00 H new ATOM 0 HH11 ARG A 142 13.293 -9.640 1.206 1.00 0.00 H new ATOM 0 HH12 ARG A 142 15.052 -9.483 1.142 1.00 0.00 H new ATOM 0 HH21 ARG A 142 15.185 -9.316 -2.377 1.00 0.00 H new ATOM 0 HH22 ARG A 142 16.117 -9.300 -0.876 1.00 0.00 H new ATOM 2202 N LEU A 143 6.997 -11.318 0.474 1.00 0.00 N ATOM 2203 CA LEU A 143 5.699 -11.168 1.129 1.00 0.00 C ATOM 2204 C LEU A 143 4.749 -12.305 0.765 1.00 0.00 C ATOM 2205 O LEU A 143 4.050 -12.837 1.628 1.00 0.00 O ATOM 2206 CB LEU A 143 5.073 -9.824 0.759 1.00 0.00 C ATOM 2207 CG LEU A 143 5.712 -8.607 1.434 1.00 0.00 C ATOM 2208 CD1 LEU A 143 5.400 -8.601 2.923 1.00 0.00 C ATOM 2209 CD2 LEU A 143 7.214 -8.596 1.204 1.00 0.00 C ATOM 0 H LEU A 143 7.215 -10.587 -0.203 1.00 0.00 H new ATOM 0 HA LEU A 143 5.866 -11.205 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 143 5.135 -9.696 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 143 4.014 -9.850 1.017 1.00 0.00 H new ATOM 0 HG LEU A 143 5.291 -7.705 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 143 5.861 -7.730 3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 143 4.320 -8.561 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 143 5.794 -9.508 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 143 7.650 -7.724 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 143 7.653 -9.502 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 143 7.418 -8.554 0.134 1.00 0.00 H new ATOM 2221 N THR A 144 4.720 -12.673 -0.511 1.00 0.00 N ATOM 2222 CA THR A 144 3.849 -13.742 -0.978 1.00 0.00 C ATOM 2223 C THR A 144 4.054 -15.017 -0.163 1.00 0.00 C ATOM 2224 O THR A 144 3.120 -15.792 0.038 1.00 0.00 O ATOM 2225 CB THR A 144 4.108 -14.019 -2.455 1.00 0.00 C ATOM 2226 OG1 THR A 144 5.488 -14.236 -2.689 1.00 0.00 O ATOM 2227 CG2 THR A 144 3.655 -12.896 -3.363 1.00 0.00 C ATOM 0 H THR A 144 5.291 -12.245 -1.240 1.00 0.00 H new ATOM 0 HA THR A 144 2.816 -13.419 -0.847 1.00 0.00 H new ATOM 0 HB THR A 144 3.524 -14.909 -2.690 1.00 0.00 H new ATOM 0 HG1 THR A 144 5.705 -13.994 -3.614 1.00 0.00 H new ATOM 0 HG21 THR A 144 3.869 -13.157 -4.399 1.00 0.00 H new ATOM 0 HG22 THR A 144 2.583 -12.740 -3.242 1.00 0.00 H new ATOM 0 HG23 THR A 144 4.187 -11.981 -3.103 1.00 0.00 H new