USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 575 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 68 ASN : amide:sc= -1.24 K(o=-0.96,f=-2.2) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0.282 USER MOD Set 2.1: A 6 HIS : no HD1:sc= -0.124 X(o=-0.24,f=-0.16) USER MOD Set 2.2: A 8 HIS : no HD1:sc= -0.118 X(o=-0.24,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 9 HIS : no HD1:sc= -0.291 K(o=-0.29,f=-2.8!) USER MOD Single : A 10 HIS : no HD1:sc= -0.268 K(o=-0.27,f=-0.81) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 59:sc= 0.188 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -70:sc= -1.35 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.071) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -144:sc= -0.0229 (180deg=-0.303) USER MOD Single : A 61 SER OG : rot -160:sc= -0.0187 USER MOD Single : A 63 CYS SG : rot 136:sc= 1.08 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -5.31! C(o=-5.3!,f=-5.4!) USER MOD Single : A 76 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.6!) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 79 TYR OH : rot 108:sc= -4.19! USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 86 GLN : amide:sc= -1.66! K(o=-1.7!,f=0.019) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N HIS A 6 -28.965 16.858 -34.739 1.00 0.00 N ATOM 67 CA HIS A 6 -30.349 16.771 -34.287 1.00 0.00 C ATOM 68 C HIS A 6 -30.542 17.532 -32.981 1.00 0.00 C ATOM 69 O HIS A 6 -29.940 17.194 -31.960 1.00 0.00 O ATOM 70 CB HIS A 6 -30.755 15.308 -34.103 1.00 0.00 C ATOM 71 CG HIS A 6 -31.025 14.593 -35.390 1.00 0.00 C ATOM 72 ND1 HIS A 6 -30.033 14.393 -36.321 1.00 0.00 N ATOM 73 CD2 HIS A 6 -32.181 14.056 -35.852 1.00 0.00 C ATOM 74 CE1 HIS A 6 -30.601 13.741 -37.320 1.00 0.00 C ATOM 75 NE2 HIS A 6 -31.901 13.517 -37.080 1.00 0.00 N ATOM 0 HA HIS A 6 -30.984 17.224 -35.048 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -29.964 14.785 -33.566 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -31.647 15.263 -33.478 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -33.137 14.054 -35.350 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -30.084 13.428 -38.215 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -32.557 13.036 -37.695 1.00 0.00 H new ATOM 83 N HIS A 7 -31.380 18.563 -33.021 1.00 0.00 N ATOM 84 CA HIS A 7 -31.649 19.376 -31.840 1.00 0.00 C ATOM 85 C HIS A 7 -32.861 18.848 -31.079 1.00 0.00 C ATOM 86 O HIS A 7 -33.481 19.571 -30.299 1.00 0.00 O ATOM 87 CB HIS A 7 -31.879 20.834 -32.243 1.00 0.00 C ATOM 88 CG HIS A 7 -30.816 21.380 -33.146 1.00 0.00 C ATOM 89 ND1 HIS A 7 -31.090 21.725 -34.448 1.00 0.00 N ATOM 90 CD2 HIS A 7 -29.506 21.617 -32.890 1.00 0.00 C ATOM 91 CE1 HIS A 7 -29.950 22.162 -34.954 1.00 0.00 C ATOM 92 NE2 HIS A 7 -28.964 22.114 -34.046 1.00 0.00 N ATOM 0 H HIS A 7 -31.884 18.855 -33.858 1.00 0.00 H new ATOM 0 HA HIS A 7 -30.780 19.319 -31.184 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -32.845 20.917 -32.741 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -31.930 21.447 -31.343 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -28.990 21.447 -31.957 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -29.828 22.513 -35.968 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -27.994 22.395 -34.189 1.00 0.00 H new ATOM 100 N HIS A 8 -33.188 17.579 -31.308 1.00 0.00 N ATOM 101 CA HIS A 8 -34.322 16.950 -30.642 1.00 0.00 C ATOM 102 C HIS A 8 -34.045 16.760 -29.156 1.00 0.00 C ATOM 103 O HIS A 8 -34.716 17.349 -28.308 1.00 0.00 O ATOM 104 CB HIS A 8 -34.634 15.599 -31.291 1.00 0.00 C ATOM 105 CG HIS A 8 -35.377 15.711 -32.586 1.00 0.00 C ATOM 106 ND1 HIS A 8 -36.709 16.048 -32.621 1.00 0.00 N ATOM 107 CD2 HIS A 8 -34.934 15.520 -33.853 1.00 0.00 C ATOM 108 CE1 HIS A 8 -37.046 16.056 -33.899 1.00 0.00 C ATOM 109 NE2 HIS A 8 -36.004 15.743 -34.680 1.00 0.00 N ATOM 0 H HIS A 8 -32.683 16.967 -31.950 1.00 0.00 H new ATOM 0 HA HIS A 8 -35.185 17.607 -30.750 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -33.700 15.064 -31.463 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -35.221 14.999 -30.596 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -33.933 15.246 -34.152 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -38.035 16.286 -34.267 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -36.006 15.682 -35.698 1.00 0.00 H new ATOM 117 N HIS A 9 -33.050 15.933 -28.846 1.00 0.00 N ATOM 118 CA HIS A 9 -32.680 15.666 -27.461 1.00 0.00 C ATOM 119 C HIS A 9 -31.652 16.680 -26.970 1.00 0.00 C ATOM 120 O HIS A 9 -31.353 17.658 -27.657 1.00 0.00 O ATOM 121 CB HIS A 9 -32.122 14.247 -27.323 1.00 0.00 C ATOM 122 CG HIS A 9 -31.127 13.886 -28.382 1.00 0.00 C ATOM 123 ND1 HIS A 9 -30.401 14.848 -29.043 1.00 0.00 N ATOM 124 CD2 HIS A 9 -30.779 12.664 -28.857 1.00 0.00 C ATOM 125 CE1 HIS A 9 -29.633 14.199 -29.899 1.00 0.00 C ATOM 126 NE2 HIS A 9 -29.828 12.874 -29.821 1.00 0.00 N ATOM 0 H HIS A 9 -32.486 15.437 -29.536 1.00 0.00 H new ATOM 0 HA HIS A 9 -33.576 15.756 -26.847 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -31.652 14.145 -26.345 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -32.948 13.537 -27.356 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -31.174 11.711 -28.538 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -28.937 14.674 -30.575 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -29.357 12.158 -30.375 1.00 0.00 H new ATOM 134 N HIS A 10 -31.114 16.442 -25.777 1.00 0.00 N ATOM 135 CA HIS A 10 -30.120 17.336 -25.194 1.00 0.00 C ATOM 136 C HIS A 10 -28.709 16.925 -25.602 1.00 0.00 C ATOM 137 O HIS A 10 -28.485 15.802 -26.055 1.00 0.00 O ATOM 138 CB HIS A 10 -30.239 17.340 -23.668 1.00 0.00 C ATOM 139 CG HIS A 10 -30.189 15.973 -23.059 1.00 0.00 C ATOM 140 ND1 HIS A 10 -29.008 15.277 -22.958 1.00 0.00 N ATOM 141 CD2 HIS A 10 -31.191 15.223 -22.537 1.00 0.00 C ATOM 142 CE1 HIS A 10 -29.312 14.129 -22.382 1.00 0.00 C ATOM 143 NE2 HIS A 10 -30.623 14.052 -22.109 1.00 0.00 N ATOM 0 H HIS A 10 -31.350 15.638 -25.196 1.00 0.00 H new ATOM 0 HA HIS A 10 -30.309 18.341 -25.571 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -29.433 17.944 -23.251 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -31.176 17.820 -23.386 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -32.234 15.496 -22.471 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -28.597 13.351 -22.159 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -31.106 13.270 -21.667 1.00 0.00 H new ATOM 151 N SER A 11 -27.762 17.843 -25.436 1.00 0.00 N ATOM 152 CA SER A 11 -26.371 17.578 -25.784 1.00 0.00 C ATOM 153 C SER A 11 -25.585 17.108 -24.566 1.00 0.00 C ATOM 154 O SER A 11 -26.020 17.287 -23.427 1.00 0.00 O ATOM 155 CB SER A 11 -25.723 18.835 -26.372 1.00 0.00 C ATOM 156 OG SER A 11 -24.687 19.317 -25.533 1.00 0.00 O ATOM 0 H SER A 11 -27.933 18.777 -25.063 1.00 0.00 H new ATOM 0 HA SER A 11 -26.354 16.785 -26.531 1.00 0.00 H new ATOM 0 HB2 SER A 11 -25.320 18.612 -27.360 1.00 0.00 H new ATOM 0 HB3 SER A 11 -26.479 19.610 -26.503 1.00 0.00 H new ATOM 0 HG SER A 11 -24.289 20.119 -25.932 1.00 0.00 H new ATOM 162 N SER A 12 -24.425 16.509 -24.812 1.00 0.00 N ATOM 163 CA SER A 12 -23.574 16.015 -23.736 1.00 0.00 C ATOM 164 C SER A 12 -22.325 16.878 -23.592 1.00 0.00 C ATOM 165 O SER A 12 -21.225 16.465 -23.961 1.00 0.00 O ATOM 166 CB SER A 12 -23.178 14.561 -23.998 1.00 0.00 C ATOM 167 OG SER A 12 -22.632 14.406 -25.296 1.00 0.00 O ATOM 0 H SER A 12 -24.052 16.354 -25.749 1.00 0.00 H new ATOM 0 HA SER A 12 -24.139 16.067 -22.805 1.00 0.00 H new ATOM 0 HB2 SER A 12 -22.450 14.240 -23.253 1.00 0.00 H new ATOM 0 HB3 SER A 12 -24.051 13.918 -23.888 1.00 0.00 H new ATOM 0 HG SER A 12 -21.842 14.978 -25.389 1.00 0.00 H new ATOM 173 N GLY A 13 -22.503 18.084 -23.061 1.00 0.00 N ATOM 174 CA GLY A 13 -21.383 18.987 -22.877 1.00 0.00 C ATOM 175 C GLY A 13 -21.168 19.356 -21.423 1.00 0.00 C ATOM 176 O GLY A 13 -20.606 20.409 -21.118 1.00 0.00 O ATOM 0 H GLY A 13 -23.404 18.451 -22.755 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -20.478 18.523 -23.268 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -21.552 19.894 -23.457 1.00 0.00 H new ATOM 390 N ASP A 27 0.925 3.539 -4.256 1.00 0.00 N ATOM 391 CA ASP A 27 1.079 3.628 -2.815 1.00 0.00 C ATOM 392 C ASP A 27 -0.089 2.921 -2.155 1.00 0.00 C ATOM 393 O ASP A 27 -0.962 3.559 -1.566 1.00 0.00 O ATOM 394 CB ASP A 27 1.149 5.091 -2.379 1.00 0.00 C ATOM 395 CG ASP A 27 1.818 5.262 -1.029 1.00 0.00 C ATOM 396 OD1 ASP A 27 1.497 4.486 -0.104 1.00 0.00 O ATOM 397 OD2 ASP A 27 2.663 6.174 -0.896 1.00 0.00 O ATOM 0 HA ASP A 27 2.009 3.147 -2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.696 5.664 -3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.141 5.503 -2.336 1.00 0.00 H new ATOM 402 N TYR A 28 -0.166 1.606 -2.358 1.00 0.00 N ATOM 403 CA TYR A 28 -1.300 0.844 -1.837 1.00 0.00 C ATOM 404 C TYR A 28 -0.914 0.018 -0.620 1.00 0.00 C ATOM 405 O TYR A 28 0.142 -0.607 -0.589 1.00 0.00 O ATOM 406 CB TYR A 28 -1.894 -0.054 -2.925 1.00 0.00 C ATOM 407 CG TYR A 28 -3.403 -0.139 -2.887 1.00 0.00 C ATOM 408 CD1 TYR A 28 -4.190 0.884 -3.402 1.00 0.00 C ATOM 409 CD2 TYR A 28 -4.043 -1.245 -2.340 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.569 0.810 -3.370 1.00 0.00 C ATOM 411 CE2 TYR A 28 -5.421 -1.327 -2.304 1.00 0.00 C ATOM 412 CZ TYR A 28 -6.180 -0.298 -2.821 1.00 0.00 C ATOM 413 OH TYR A 28 -7.554 -0.376 -2.788 1.00 0.00 O ATOM 0 H TYR A 28 0.526 1.056 -2.867 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.057 1.562 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.585 0.320 -3.901 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.480 -1.057 -2.822 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.715 1.752 -3.835 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.452 -2.054 -1.936 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.165 1.615 -3.773 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.902 -2.193 -1.873 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.824 -1.220 -2.370 1.00 0.00 H new ATOM 423 N ARG A 29 -1.790 0.018 0.379 1.00 0.00 N ATOM 424 CA ARG A 29 -1.537 -0.708 1.614 1.00 0.00 C ATOM 425 C ARG A 29 -2.347 -1.999 1.679 1.00 0.00 C ATOM 426 O ARG A 29 -3.553 -2.005 1.436 1.00 0.00 O ATOM 427 CB ARG A 29 -1.869 0.172 2.821 1.00 0.00 C ATOM 428 CG ARG A 29 -3.169 0.945 2.669 1.00 0.00 C ATOM 429 CD ARG A 29 -3.846 1.170 4.012 1.00 0.00 C ATOM 430 NE ARG A 29 -5.195 1.707 3.861 1.00 0.00 N ATOM 431 CZ ARG A 29 -5.701 2.660 4.639 1.00 0.00 C ATOM 432 NH1 ARG A 29 -4.972 3.177 5.619 1.00 0.00 N ATOM 433 NH2 ARG A 29 -6.937 3.097 4.435 1.00 0.00 N ATOM 0 H ARG A 29 -2.681 0.513 0.356 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.479 -0.969 1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.930 -0.454 3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.053 0.877 2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.968 1.906 2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.842 0.399 2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.890 0.228 4.558 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.247 1.857 4.609 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.783 1.330 3.117 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.021 2.844 5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.362 3.908 6.214 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.500 2.702 3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.325 3.828 5.032 1.00 0.00 H new ATOM 447 N LEU A 30 -1.667 -3.090 2.022 1.00 0.00 N ATOM 448 CA LEU A 30 -2.307 -4.393 2.152 1.00 0.00 C ATOM 449 C LEU A 30 -2.058 -4.961 3.545 1.00 0.00 C ATOM 450 O LEU A 30 -1.111 -5.718 3.754 1.00 0.00 O ATOM 451 CB LEU A 30 -1.771 -5.356 1.081 1.00 0.00 C ATOM 452 CG LEU A 30 -2.744 -6.453 0.627 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.810 -7.567 1.663 1.00 0.00 C ATOM 454 CD2 LEU A 30 -4.129 -5.873 0.375 1.00 0.00 C ATOM 0 H LEU A 30 -0.666 -3.095 2.216 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.381 -4.274 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.477 -4.773 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.869 -5.832 1.465 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.376 -6.873 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.504 -8.337 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.819 -8.003 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.154 -7.160 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.803 -6.667 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.508 -5.424 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.069 -5.112 -0.403 1.00 0.00 H new ATOM 466 N ASP A 31 -2.918 -4.601 4.494 1.00 0.00 N ATOM 467 CA ASP A 31 -2.756 -5.038 5.876 1.00 0.00 C ATOM 468 C ASP A 31 -3.709 -6.179 6.213 1.00 0.00 C ATOM 469 O ASP A 31 -4.624 -6.021 7.022 1.00 0.00 O ATOM 470 CB ASP A 31 -2.992 -3.865 6.832 1.00 0.00 C ATOM 471 CG ASP A 31 -2.490 -4.146 8.235 1.00 0.00 C ATOM 472 OD1 ASP A 31 -2.013 -5.273 8.483 1.00 0.00 O ATOM 473 OD2 ASP A 31 -2.576 -3.238 9.088 1.00 0.00 O ATOM 0 H ASP A 31 -3.732 -4.009 4.331 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.735 -5.401 5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.493 -2.978 6.443 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.058 -3.641 6.870 1.00 0.00 H new ATOM 478 N MET A 32 -3.514 -7.317 5.553 1.00 0.00 N ATOM 479 CA MET A 32 -4.347 -8.489 5.791 1.00 0.00 C ATOM 480 C MET A 32 -3.504 -9.764 5.871 1.00 0.00 C ATOM 481 O MET A 32 -2.763 -9.978 6.834 1.00 0.00 O ATOM 482 CB MET A 32 -5.408 -8.612 4.694 1.00 0.00 C ATOM 483 CG MET A 32 -6.444 -7.501 4.720 1.00 0.00 C ATOM 484 SD MET A 32 -7.864 -7.850 3.667 1.00 0.00 S ATOM 485 CE MET A 32 -9.088 -8.311 4.889 1.00 0.00 C ATOM 0 H MET A 32 -2.787 -7.451 4.850 1.00 0.00 H new ATOM 0 HA MET A 32 -4.846 -8.362 6.752 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.915 -8.614 3.722 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.915 -9.572 4.796 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.785 -7.351 5.745 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.979 -6.569 4.399 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.026 -8.556 4.390 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.736 -9.179 5.447 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.249 -7.479 5.575 1.00 0.00 H new ATOM 495 N VAL A 33 -3.626 -10.610 4.850 1.00 0.00 N ATOM 496 CA VAL A 33 -2.907 -11.874 4.802 1.00 0.00 C ATOM 497 C VAL A 33 -2.269 -12.088 3.432 1.00 0.00 C ATOM 498 O VAL A 33 -2.838 -11.715 2.407 1.00 0.00 O ATOM 499 CB VAL A 33 -3.855 -13.049 5.109 1.00 0.00 C ATOM 500 CG1 VAL A 33 -4.968 -13.124 4.073 1.00 0.00 C ATOM 501 CG2 VAL A 33 -3.090 -14.361 5.175 1.00 0.00 C ATOM 0 H VAL A 33 -4.222 -10.438 4.040 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.122 -11.835 5.557 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.307 -12.874 6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.627 -13.960 4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.540 -12.196 4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.535 -13.269 3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.782 -15.175 5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.602 -14.546 4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.337 -14.304 5.961 1.00 0.00 H new ATOM 511 N GLY A 34 -1.085 -12.689 3.425 1.00 0.00 N ATOM 512 CA GLY A 34 -0.394 -12.944 2.176 1.00 0.00 C ATOM 513 C GLY A 34 -1.017 -14.083 1.391 1.00 0.00 C ATOM 514 O GLY A 34 -0.698 -15.250 1.615 1.00 0.00 O ATOM 0 H GLY A 34 -0.592 -13.004 4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.404 -12.040 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.650 -13.178 2.383 1.00 0.00 H new ATOM 518 N GLU A 35 -1.912 -13.740 0.470 1.00 0.00 N ATOM 519 CA GLU A 35 -2.585 -14.732 -0.355 1.00 0.00 C ATOM 520 C GLU A 35 -2.297 -14.470 -1.835 1.00 0.00 C ATOM 521 O GLU A 35 -2.147 -13.318 -2.236 1.00 0.00 O ATOM 522 CB GLU A 35 -4.091 -14.692 -0.073 1.00 0.00 C ATOM 523 CG GLU A 35 -4.939 -15.366 -1.135 1.00 0.00 C ATOM 524 CD GLU A 35 -6.337 -15.689 -0.648 1.00 0.00 C ATOM 525 OE1 GLU A 35 -7.094 -14.742 -0.348 1.00 0.00 O ATOM 526 OE2 GLU A 35 -6.674 -16.888 -0.563 1.00 0.00 O ATOM 0 H GLU A 35 -2.188 -12.777 0.277 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.210 -15.726 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.283 -15.171 0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.405 -13.652 0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.004 -14.717 -2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.449 -16.285 -1.456 1.00 0.00 H new ATOM 593 N PRO A 40 -5.925 -8.768 -2.706 1.00 0.00 N ATOM 594 CA PRO A 40 -4.780 -7.975 -2.234 1.00 0.00 C ATOM 595 C PRO A 40 -3.830 -7.552 -3.357 1.00 0.00 C ATOM 596 O PRO A 40 -4.046 -6.530 -4.008 1.00 0.00 O ATOM 597 CB PRO A 40 -4.064 -8.912 -1.242 1.00 0.00 C ATOM 598 CG PRO A 40 -4.721 -10.244 -1.392 1.00 0.00 C ATOM 599 CD PRO A 40 -6.111 -9.968 -1.876 1.00 0.00 C ATOM 0 HA PRO A 40 -5.111 -7.036 -1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.999 -8.975 -1.463 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.156 -8.544 -0.220 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.178 -10.869 -2.101 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.738 -10.780 -0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.514 -10.801 -2.452 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.800 -9.788 -1.051 1.00 0.00 H new ATOM 607 N ALA A 41 -2.775 -8.339 -3.573 1.00 0.00 N ATOM 608 CA ALA A 41 -1.766 -8.024 -4.588 1.00 0.00 C ATOM 609 C ALA A 41 -2.363 -7.891 -5.991 1.00 0.00 C ATOM 610 O ALA A 41 -1.636 -7.624 -6.949 1.00 0.00 O ATOM 611 CB ALA A 41 -0.668 -9.079 -4.595 1.00 0.00 C ATOM 0 H ALA A 41 -2.596 -9.201 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.344 -7.056 -4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.072 -8.829 -5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.188 -9.111 -3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.102 -10.054 -4.818 1.00 0.00 H new ATOM 617 N VAL A 42 -3.673 -8.084 -6.118 1.00 0.00 N ATOM 618 CA VAL A 42 -4.335 -7.966 -7.417 1.00 0.00 C ATOM 619 C VAL A 42 -3.992 -6.633 -8.079 1.00 0.00 C ATOM 620 O VAL A 42 -3.834 -6.556 -9.298 1.00 0.00 O ATOM 621 CB VAL A 42 -5.868 -8.107 -7.287 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.587 -7.418 -8.440 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.259 -9.573 -7.216 1.00 0.00 C ATOM 0 H VAL A 42 -4.294 -8.321 -5.345 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.969 -8.780 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.174 -7.616 -6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.664 -7.535 -8.319 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.336 -6.357 -8.444 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.276 -7.868 -9.383 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.342 -9.657 -7.125 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.931 -10.081 -8.123 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.785 -10.034 -6.350 1.00 0.00 H new ATOM 633 N ALA A 43 -3.863 -5.590 -7.266 1.00 0.00 N ATOM 634 CA ALA A 43 -3.517 -4.266 -7.771 1.00 0.00 C ATOM 635 C ALA A 43 -2.065 -4.230 -8.230 1.00 0.00 C ATOM 636 O ALA A 43 -1.733 -3.584 -9.222 1.00 0.00 O ATOM 637 CB ALA A 43 -3.765 -3.212 -6.703 1.00 0.00 C ATOM 0 H ALA A 43 -3.993 -5.636 -6.255 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.152 -4.047 -8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.502 -2.229 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.818 -3.221 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.153 -3.430 -5.828 1.00 0.00 H new ATOM 643 N THR A 44 -1.210 -4.940 -7.501 1.00 0.00 N ATOM 644 CA THR A 44 0.212 -5.009 -7.822 1.00 0.00 C ATOM 645 C THR A 44 0.432 -5.504 -9.247 1.00 0.00 C ATOM 646 O THR A 44 1.279 -4.982 -9.973 1.00 0.00 O ATOM 647 CB THR A 44 0.917 -5.943 -6.841 1.00 0.00 C ATOM 648 OG1 THR A 44 0.207 -6.003 -5.619 1.00 0.00 O ATOM 649 CG2 THR A 44 2.336 -5.525 -6.530 1.00 0.00 C ATOM 0 H THR A 44 -1.479 -5.479 -6.678 1.00 0.00 H new ATOM 0 HA THR A 44 0.628 -4.005 -7.740 1.00 0.00 H new ATOM 0 HB THR A 44 0.946 -6.916 -7.332 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.294 -5.148 -5.148 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.778 -6.232 -5.827 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.922 -5.513 -7.449 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.333 -4.528 -6.089 1.00 0.00 H new ATOM 657 N LEU A 45 -0.330 -6.522 -9.637 1.00 0.00 N ATOM 658 CA LEU A 45 -0.206 -7.106 -10.967 1.00 0.00 C ATOM 659 C LEU A 45 -0.672 -6.133 -12.046 1.00 0.00 C ATOM 660 O LEU A 45 0.073 -5.824 -12.976 1.00 0.00 O ATOM 661 CB LEU A 45 -1.010 -8.407 -11.051 1.00 0.00 C ATOM 662 CG LEU A 45 -0.208 -9.640 -11.476 1.00 0.00 C ATOM 663 CD1 LEU A 45 0.905 -9.924 -10.478 1.00 0.00 C ATOM 664 CD2 LEU A 45 -1.122 -10.848 -11.616 1.00 0.00 C ATOM 0 H LEU A 45 -1.040 -6.959 -9.050 1.00 0.00 H new ATOM 0 HA LEU A 45 0.848 -7.323 -11.140 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.458 -8.602 -10.077 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.829 -8.265 -11.756 1.00 0.00 H new ATOM 0 HG LEU A 45 0.245 -9.438 -12.446 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.464 -10.804 -10.797 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.576 -9.066 -10.427 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.473 -10.105 -9.494 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.535 -11.715 -11.919 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.604 -11.052 -10.660 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.882 -10.644 -12.370 1.00 0.00 H new ATOM 676 N GLU A 46 -1.908 -5.655 -11.921 1.00 0.00 N ATOM 677 CA GLU A 46 -2.468 -4.714 -12.888 1.00 0.00 C ATOM 678 C GLU A 46 -1.680 -3.408 -12.890 1.00 0.00 C ATOM 679 O GLU A 46 -1.836 -2.570 -13.782 1.00 0.00 O ATOM 680 CB GLU A 46 -3.940 -4.439 -12.571 1.00 0.00 C ATOM 681 CG GLU A 46 -4.152 -3.625 -11.305 1.00 0.00 C ATOM 682 CD GLU A 46 -4.780 -2.272 -11.581 1.00 0.00 C ATOM 683 OE1 GLU A 46 -4.207 -1.504 -12.382 1.00 0.00 O ATOM 684 OE2 GLU A 46 -5.845 -1.981 -10.996 1.00 0.00 O ATOM 0 H GLU A 46 -2.540 -5.904 -11.160 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.397 -5.162 -13.879 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.391 -3.911 -13.411 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.465 -5.389 -12.473 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.789 -4.184 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.194 -3.482 -10.805 1.00 0.00 H new ATOM 691 N ALA A 47 -0.874 -3.218 -11.852 1.00 0.00 N ATOM 692 CA ALA A 47 -0.035 -2.035 -11.737 1.00 0.00 C ATOM 693 C ALA A 47 1.154 -2.119 -12.689 1.00 0.00 C ATOM 694 O ALA A 47 1.609 -1.107 -13.222 1.00 0.00 O ATOM 695 CB ALA A 47 0.439 -1.859 -10.302 1.00 0.00 C ATOM 0 H ALA A 47 -0.785 -3.873 -11.075 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.630 -1.165 -12.015 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.066 -0.970 -10.232 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.424 -1.748 -9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.015 -2.733 -9.999 1.00 0.00 H new ATOM 701 N MET A 48 1.658 -3.336 -12.882 1.00 0.00 N ATOM 702 CA MET A 48 2.809 -3.569 -13.750 1.00 0.00 C ATOM 703 C MET A 48 2.609 -2.930 -15.132 1.00 0.00 C ATOM 704 O MET A 48 3.493 -2.222 -15.614 1.00 0.00 O ATOM 705 CB MET A 48 3.103 -5.077 -13.854 1.00 0.00 C ATOM 706 CG MET A 48 3.049 -5.643 -15.265 1.00 0.00 C ATOM 707 SD MET A 48 4.500 -5.214 -16.247 1.00 0.00 S ATOM 708 CE MET A 48 4.377 -6.411 -17.574 1.00 0.00 C ATOM 0 H MET A 48 1.285 -4.179 -12.446 1.00 0.00 H new ATOM 0 HA MET A 48 3.679 -3.086 -13.304 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.092 -5.269 -13.438 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.387 -5.616 -13.234 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.959 -6.728 -15.213 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.155 -5.273 -15.766 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.207 -6.273 -18.267 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.414 -7.419 -17.160 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.435 -6.271 -18.104 1.00 0.00 H new ATOM 718 N PRO A 49 1.445 -3.130 -15.787 1.00 0.00 N ATOM 719 CA PRO A 49 1.174 -2.522 -17.092 1.00 0.00 C ATOM 720 C PRO A 49 1.020 -1.010 -16.980 1.00 0.00 C ATOM 721 O PRO A 49 1.670 -0.253 -17.701 1.00 0.00 O ATOM 722 CB PRO A 49 -0.148 -3.165 -17.540 1.00 0.00 C ATOM 723 CG PRO A 49 -0.369 -4.312 -16.612 1.00 0.00 C ATOM 724 CD PRO A 49 0.308 -3.940 -15.327 1.00 0.00 C ATOM 0 HA PRO A 49 1.988 -2.688 -17.798 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.970 -2.451 -17.484 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.089 -3.503 -18.575 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.433 -4.488 -16.456 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.049 -5.231 -17.022 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.353 -3.375 -14.669 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.635 -4.819 -14.772 1.00 0.00 H new ATOM 732 N GLN A 50 0.159 -0.578 -16.061 1.00 0.00 N ATOM 733 CA GLN A 50 -0.080 0.845 -15.836 1.00 0.00 C ATOM 734 C GLN A 50 1.097 1.508 -15.118 1.00 0.00 C ATOM 735 O GLN A 50 0.963 2.614 -14.593 1.00 0.00 O ATOM 736 CB GLN A 50 -1.357 1.040 -15.017 1.00 0.00 C ATOM 737 CG GLN A 50 -2.629 0.704 -15.778 1.00 0.00 C ATOM 738 CD GLN A 50 -3.233 1.912 -16.468 1.00 0.00 C ATOM 739 OE1 GLN A 50 -3.545 1.870 -17.659 1.00 0.00 O ATOM 740 NE2 GLN A 50 -3.402 2.998 -15.722 1.00 0.00 N ATOM 0 H GLN A 50 -0.386 -1.195 -15.459 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.192 1.319 -16.811 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.304 0.418 -14.124 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.408 2.076 -14.681 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.411 -0.063 -16.521 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.360 0.281 -15.088 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.130 2.989 -14.739 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.804 3.841 -16.132 1.00 0.00 H new ATOM 749 N LEU A 51 2.241 0.828 -15.090 1.00 0.00 N ATOM 750 CA LEU A 51 3.427 1.347 -14.413 1.00 0.00 C ATOM 751 C LEU A 51 3.779 2.753 -14.891 1.00 0.00 C ATOM 752 O LEU A 51 3.349 3.186 -15.962 1.00 0.00 O ATOM 753 CB LEU A 51 4.615 0.404 -14.629 1.00 0.00 C ATOM 754 CG LEU A 51 5.570 0.793 -15.764 1.00 0.00 C ATOM 755 CD1 LEU A 51 6.855 1.381 -15.202 1.00 0.00 C ATOM 756 CD2 LEU A 51 5.871 -0.410 -16.644 1.00 0.00 C ATOM 0 H LEU A 51 2.372 -0.084 -15.528 1.00 0.00 H new ATOM 0 HA LEU A 51 3.202 1.404 -13.348 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.185 0.348 -13.702 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.231 -0.596 -14.828 1.00 0.00 H new ATOM 0 HG LEU A 51 5.085 1.553 -16.377 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.521 1.651 -16.022 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.622 2.270 -14.615 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.344 0.644 -14.565 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.550 -0.115 -17.444 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.335 -1.193 -16.044 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.944 -0.786 -17.076 1.00 0.00 H new ATOM 768 N LYS A 52 4.578 3.452 -14.092 1.00 0.00 N ATOM 769 CA LYS A 52 5.010 4.806 -14.421 1.00 0.00 C ATOM 770 C LYS A 52 6.351 5.113 -13.762 1.00 0.00 C ATOM 771 O LYS A 52 7.061 4.206 -13.327 1.00 0.00 O ATOM 772 CB LYS A 52 3.960 5.823 -13.968 1.00 0.00 C ATOM 773 CG LYS A 52 2.904 6.117 -15.021 1.00 0.00 C ATOM 774 CD LYS A 52 1.499 5.932 -14.471 1.00 0.00 C ATOM 775 CE LYS A 52 0.459 5.947 -15.579 1.00 0.00 C ATOM 776 NZ LYS A 52 -0.425 7.143 -15.496 1.00 0.00 N ATOM 0 H LYS A 52 4.942 3.101 -13.206 1.00 0.00 H new ATOM 0 HA LYS A 52 5.127 4.877 -15.502 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.470 5.451 -13.068 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.460 6.753 -13.697 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.023 7.139 -15.381 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.050 5.458 -15.877 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.441 4.988 -13.929 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.280 6.724 -13.755 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.960 5.932 -16.547 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.147 5.043 -15.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.120 7.115 -16.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.923 7.144 -14.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.150 8.006 -15.578 1.00 0.00 H new ATOM 790 N LYS A 53 6.691 6.396 -13.682 1.00 0.00 N ATOM 791 CA LYS A 53 7.943 6.816 -13.064 1.00 0.00 C ATOM 792 C LYS A 53 7.701 7.341 -11.651 1.00 0.00 C ATOM 793 O LYS A 53 8.311 8.324 -11.229 1.00 0.00 O ATOM 794 CB LYS A 53 8.624 7.890 -13.915 1.00 0.00 C ATOM 795 CG LYS A 53 9.856 7.391 -14.653 1.00 0.00 C ATOM 796 CD LYS A 53 11.124 7.643 -13.854 1.00 0.00 C ATOM 797 CE LYS A 53 11.865 6.349 -13.563 1.00 0.00 C ATOM 798 NZ LYS A 53 12.123 6.171 -12.108 1.00 0.00 N ATOM 0 H LYS A 53 6.118 7.161 -14.037 1.00 0.00 H new ATOM 0 HA LYS A 53 8.599 5.948 -13.002 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.907 8.275 -14.640 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.908 8.724 -13.273 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.755 6.324 -14.851 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.929 7.889 -15.620 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.775 8.320 -14.407 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.872 8.138 -12.916 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.282 5.506 -13.934 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.812 6.344 -14.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.048 5.715 -11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.123 7.099 -11.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.379 5.574 -11.694 1.00 0.00 H new ATOM 812 N GLY A 54 6.808 6.675 -10.926 1.00 0.00 N ATOM 813 CA GLY A 54 6.498 7.083 -9.568 1.00 0.00 C ATOM 814 C GLY A 54 5.549 6.122 -8.877 1.00 0.00 C ATOM 815 O GLY A 54 4.406 6.469 -8.590 1.00 0.00 O ATOM 0 H GLY A 54 6.293 5.859 -11.255 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.421 7.154 -8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.055 8.079 -9.583 1.00 0.00 H new ATOM 819 N GLU A 55 6.027 4.913 -8.608 1.00 0.00 N ATOM 820 CA GLU A 55 5.209 3.896 -7.959 1.00 0.00 C ATOM 821 C GLU A 55 5.685 3.623 -6.537 1.00 0.00 C ATOM 822 O GLU A 55 6.858 3.811 -6.217 1.00 0.00 O ATOM 823 CB GLU A 55 5.243 2.598 -8.767 1.00 0.00 C ATOM 824 CG GLU A 55 3.944 2.285 -9.485 1.00 0.00 C ATOM 825 CD GLU A 55 4.085 2.320 -10.995 1.00 0.00 C ATOM 826 OE1 GLU A 55 5.141 1.887 -11.503 1.00 0.00 O ATOM 827 OE2 GLU A 55 3.140 2.781 -11.668 1.00 0.00 O ATOM 0 H GLU A 55 6.976 4.613 -8.829 1.00 0.00 H new ATOM 0 HA GLU A 55 4.187 4.273 -7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.046 2.660 -9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.485 1.772 -8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.594 1.299 -9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.183 3.002 -9.179 1.00 0.00 H new ATOM 834 N ILE A 56 4.755 3.183 -5.693 1.00 0.00 N ATOM 835 CA ILE A 56 5.052 2.856 -4.305 1.00 0.00 C ATOM 836 C ILE A 56 3.963 1.933 -3.760 1.00 0.00 C ATOM 837 O ILE A 56 2.839 1.918 -4.261 1.00 0.00 O ATOM 838 CB ILE A 56 5.159 4.130 -3.425 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.597 4.652 -3.420 1.00 0.00 C ATOM 840 CG2 ILE A 56 4.698 3.861 -1.997 1.00 0.00 C ATOM 841 CD1 ILE A 56 6.707 6.119 -3.063 1.00 0.00 C ATOM 0 H ILE A 56 3.778 3.044 -5.953 1.00 0.00 H new ATOM 0 HA ILE A 56 6.018 2.353 -4.272 1.00 0.00 H new ATOM 0 HB ILE A 56 4.503 4.887 -3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.184 4.069 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.036 4.492 -4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.786 4.774 -1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.658 3.534 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.320 3.083 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.755 6.420 -3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.148 6.712 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.298 6.283 -2.066 1.00 0.00 H new ATOM 853 N LEU A 57 4.299 1.115 -2.784 1.00 0.00 N ATOM 854 CA LEU A 57 3.314 0.220 -2.211 1.00 0.00 C ATOM 855 C LEU A 57 3.750 -0.270 -0.842 1.00 0.00 C ATOM 856 O LEU A 57 4.915 -0.598 -0.622 1.00 0.00 O ATOM 857 CB LEU A 57 3.055 -0.945 -3.157 1.00 0.00 C ATOM 858 CG LEU A 57 2.102 -2.006 -2.635 1.00 0.00 C ATOM 859 CD1 LEU A 57 0.745 -1.821 -3.278 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.643 -3.402 -2.901 1.00 0.00 C ATOM 0 H LEU A 57 5.231 1.051 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 57 2.382 0.770 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.657 -0.551 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.008 -1.420 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 57 2.003 -1.895 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.059 -2.581 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.358 -0.832 -3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.839 -1.916 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.942 -4.143 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.771 -3.544 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.605 -3.521 -2.402 1.00 0.00 H new ATOM 872 N GLU A 58 2.799 -0.301 0.075 1.00 0.00 N ATOM 873 CA GLU A 58 3.056 -0.716 1.441 1.00 0.00 C ATOM 874 C GLU A 58 2.225 -1.948 1.779 1.00 0.00 C ATOM 875 O GLU A 58 1.069 -2.050 1.376 1.00 0.00 O ATOM 876 CB GLU A 58 2.721 0.436 2.389 1.00 0.00 C ATOM 877 CG GLU A 58 2.624 1.790 1.690 1.00 0.00 C ATOM 878 CD GLU A 58 1.562 2.683 2.298 1.00 0.00 C ATOM 879 OE1 GLU A 58 0.365 2.348 2.179 1.00 0.00 O ATOM 880 OE2 GLU A 58 1.927 3.720 2.892 1.00 0.00 O ATOM 0 H GLU A 58 1.830 -0.040 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 58 4.109 -0.974 1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.774 0.224 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.484 0.491 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.590 2.292 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.403 1.635 0.634 1.00 0.00 H new ATOM 887 N VAL A 59 2.826 -2.911 2.470 1.00 0.00 N ATOM 888 CA VAL A 59 2.118 -4.141 2.803 1.00 0.00 C ATOM 889 C VAL A 59 2.426 -4.623 4.216 1.00 0.00 C ATOM 890 O VAL A 59 3.524 -4.423 4.736 1.00 0.00 O ATOM 891 CB VAL A 59 2.450 -5.275 1.819 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.509 -6.449 2.038 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.379 -4.786 0.381 1.00 0.00 C ATOM 0 H VAL A 59 3.788 -2.865 2.806 1.00 0.00 H new ATOM 0 HA VAL A 59 1.058 -3.895 2.734 1.00 0.00 H new ATOM 0 HB VAL A 59 3.471 -5.607 2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.753 -7.247 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.618 -6.817 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.481 -6.126 1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.618 -5.607 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.373 -4.423 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.095 -3.977 0.236 1.00 0.00 H new ATOM 903 N VAL A 60 1.445 -5.295 4.804 1.00 0.00 N ATOM 904 CA VAL A 60 1.571 -5.869 6.137 1.00 0.00 C ATOM 905 C VAL A 60 0.608 -7.043 6.286 1.00 0.00 C ATOM 906 O VAL A 60 -0.596 -6.855 6.465 1.00 0.00 O ATOM 907 CB VAL A 60 1.286 -4.831 7.242 1.00 0.00 C ATOM 908 CG1 VAL A 60 2.586 -4.341 7.861 1.00 0.00 C ATOM 909 CG2 VAL A 60 0.477 -3.666 6.692 1.00 0.00 C ATOM 0 H VAL A 60 0.537 -5.458 4.369 1.00 0.00 H new ATOM 0 HA VAL A 60 2.600 -6.208 6.252 1.00 0.00 H new ATOM 0 HB VAL A 60 0.696 -5.313 8.021 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.366 -3.609 8.638 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.122 -5.184 8.297 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.204 -3.878 7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.288 -2.946 7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.035 -3.182 5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.472 -4.034 6.302 1.00 0.00 H new ATOM 919 N SER A 61 1.129 -8.256 6.152 1.00 0.00 N ATOM 920 CA SER A 61 0.295 -9.447 6.232 1.00 0.00 C ATOM 921 C SER A 61 1.027 -10.596 6.909 1.00 0.00 C ATOM 922 O SER A 61 2.240 -10.543 7.110 1.00 0.00 O ATOM 923 CB SER A 61 -0.145 -9.869 4.830 1.00 0.00 C ATOM 924 OG SER A 61 -1.044 -8.927 4.270 1.00 0.00 O ATOM 0 H SER A 61 2.119 -8.440 5.988 1.00 0.00 H new ATOM 0 HA SER A 61 -0.580 -9.203 6.834 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.729 -9.969 4.186 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.621 -10.848 4.875 1.00 0.00 H new ATOM 0 HG SER A 61 -1.548 -9.348 3.543 1.00 0.00 H new ATOM 930 N ASP A 62 0.279 -11.637 7.253 1.00 0.00 N ATOM 931 CA ASP A 62 0.855 -12.812 7.897 1.00 0.00 C ATOM 932 C ASP A 62 0.586 -14.065 7.074 1.00 0.00 C ATOM 933 O ASP A 62 -0.513 -14.254 6.558 1.00 0.00 O ATOM 934 CB ASP A 62 0.283 -12.981 9.308 1.00 0.00 C ATOM 935 CG ASP A 62 -1.196 -12.660 9.378 1.00 0.00 C ATOM 936 OD1 ASP A 62 -1.542 -11.462 9.441 1.00 0.00 O ATOM 937 OD2 ASP A 62 -2.010 -13.608 9.373 1.00 0.00 O ATOM 0 H ASP A 62 -0.728 -11.692 7.097 1.00 0.00 H new ATOM 0 HA ASP A 62 1.933 -12.667 7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.445 -14.006 9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.825 -12.332 9.996 1.00 0.00 H new ATOM 942 N CYS A 63 1.602 -14.911 6.942 1.00 0.00 N ATOM 943 CA CYS A 63 1.470 -16.150 6.185 1.00 0.00 C ATOM 944 C CYS A 63 2.546 -17.155 6.591 1.00 0.00 C ATOM 945 O CYS A 63 3.737 -16.841 6.571 1.00 0.00 O ATOM 946 CB CYS A 63 1.565 -15.873 4.682 1.00 0.00 C ATOM 947 SG CYS A 63 0.718 -17.093 3.652 1.00 0.00 S ATOM 0 H CYS A 63 2.525 -14.761 7.349 1.00 0.00 H new ATOM 0 HA CYS A 63 0.492 -16.575 6.409 1.00 0.00 H new ATOM 0 HB2 CYS A 63 1.146 -14.888 4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 63 2.616 -15.838 4.396 1.00 0.00 H new ATOM 0 HG CYS A 63 0.051 -16.484 2.717 1.00 0.00 H new ATOM 953 N PRO A 64 2.144 -18.385 6.962 1.00 0.00 N ATOM 954 CA PRO A 64 3.089 -19.433 7.362 1.00 0.00 C ATOM 955 C PRO A 64 3.930 -19.923 6.189 1.00 0.00 C ATOM 956 O PRO A 64 4.930 -20.617 6.374 1.00 0.00 O ATOM 957 CB PRO A 64 2.185 -20.554 7.880 1.00 0.00 C ATOM 958 CG PRO A 64 0.882 -20.341 7.191 1.00 0.00 C ATOM 959 CD PRO A 64 0.746 -18.854 7.012 1.00 0.00 C ATOM 0 HA PRO A 64 3.806 -19.077 8.101 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.599 -21.535 7.648 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.073 -20.503 8.963 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.861 -20.853 6.229 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.058 -20.740 7.783 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.207 -18.607 6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.199 -18.399 7.837 1.00 0.00 H new ATOM 967 N GLN A 65 3.518 -19.552 4.981 1.00 0.00 N ATOM 968 CA GLN A 65 4.233 -19.944 3.772 1.00 0.00 C ATOM 969 C GLN A 65 5.361 -18.960 3.470 1.00 0.00 C ATOM 970 O GLN A 65 5.862 -18.283 4.369 1.00 0.00 O ATOM 971 CB GLN A 65 3.269 -20.019 2.588 1.00 0.00 C ATOM 972 CG GLN A 65 2.412 -21.276 2.579 1.00 0.00 C ATOM 973 CD GLN A 65 1.506 -21.356 1.366 1.00 0.00 C ATOM 974 OE1 GLN A 65 1.768 -22.111 0.430 1.00 0.00 O ATOM 975 NE2 GLN A 65 0.433 -20.574 1.376 1.00 0.00 N ATOM 0 H GLN A 65 2.691 -18.979 4.813 1.00 0.00 H new ATOM 0 HA GLN A 65 4.669 -20.930 3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.617 -19.145 2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.841 -19.973 1.661 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.059 -22.153 2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.805 -21.304 3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.254 -19.963 2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.213 -20.584 0.587 1.00 0.00 H new ATOM 984 N SER A 66 5.757 -18.883 2.203 1.00 0.00 N ATOM 985 CA SER A 66 6.830 -17.987 1.792 1.00 0.00 C ATOM 986 C SER A 66 6.388 -17.082 0.647 1.00 0.00 C ATOM 987 O SER A 66 6.458 -15.858 0.752 1.00 0.00 O ATOM 988 CB SER A 66 8.060 -18.797 1.376 1.00 0.00 C ATOM 989 OG SER A 66 8.246 -19.915 2.226 1.00 0.00 O ATOM 0 H SER A 66 5.350 -19.430 1.444 1.00 0.00 H new ATOM 0 HA SER A 66 7.085 -17.355 2.642 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.946 -19.135 0.346 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.945 -18.162 1.407 1.00 0.00 H new ATOM 0 HG SER A 66 9.037 -20.417 1.938 1.00 0.00 H new ATOM 995 N ILE A 67 5.936 -17.688 -0.448 1.00 0.00 N ATOM 996 CA ILE A 67 5.486 -16.924 -1.608 1.00 0.00 C ATOM 997 C ILE A 67 4.091 -16.352 -1.377 1.00 0.00 C ATOM 998 O ILE A 67 3.103 -16.841 -1.928 1.00 0.00 O ATOM 999 CB ILE A 67 5.480 -17.775 -2.892 1.00 0.00 C ATOM 1000 CG1 ILE A 67 6.746 -18.632 -2.969 1.00 0.00 C ATOM 1001 CG2 ILE A 67 5.367 -16.878 -4.117 1.00 0.00 C ATOM 1002 CD1 ILE A 67 6.482 -20.115 -2.824 1.00 0.00 C ATOM 0 H ILE A 67 5.872 -18.700 -0.556 1.00 0.00 H new ATOM 0 HA ILE A 67 6.197 -16.108 -1.739 1.00 0.00 H new ATOM 0 HB ILE A 67 4.616 -18.439 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.240 -18.451 -3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.437 -18.316 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.364 -17.491 -5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.441 -16.305 -4.065 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.215 -16.194 -4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.424 -20.660 -2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.016 -20.309 -1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.816 -20.446 -3.621 1.00 0.00 H new ATOM 1014 N ASN A 68 4.024 -15.311 -0.555 1.00 0.00 N ATOM 1015 CA ASN A 68 2.765 -14.650 -0.239 1.00 0.00 C ATOM 1016 C ASN A 68 2.946 -13.139 -0.271 1.00 0.00 C ATOM 1017 O ASN A 68 2.038 -12.380 0.072 1.00 0.00 O ATOM 1018 CB ASN A 68 2.275 -15.088 1.141 1.00 0.00 C ATOM 1019 CG ASN A 68 3.419 -15.394 2.087 1.00 0.00 C ATOM 1020 OD1 ASN A 68 3.823 -16.548 2.237 1.00 0.00 O ATOM 1021 ND2 ASN A 68 3.949 -14.361 2.731 1.00 0.00 N ATOM 0 H ASN A 68 4.836 -14.904 -0.092 1.00 0.00 H new ATOM 0 HA ASN A 68 2.022 -14.933 -0.985 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.652 -14.302 1.569 1.00 0.00 H new ATOM 0 HB3 ASN A 68 1.646 -15.972 1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.722 -14.507 3.380 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.583 -13.422 2.577 1.00 0.00 H new ATOM 1028 N ASN A 69 4.139 -12.715 -0.671 1.00 0.00 N ATOM 1029 CA ASN A 69 4.483 -11.302 -0.723 1.00 0.00 C ATOM 1030 C ASN A 69 3.783 -10.585 -1.868 1.00 0.00 C ATOM 1031 O ASN A 69 3.899 -10.977 -3.030 1.00 0.00 O ATOM 1032 CB ASN A 69 5.997 -11.137 -0.862 1.00 0.00 C ATOM 1033 CG ASN A 69 6.771 -11.923 0.181 1.00 0.00 C ATOM 1034 OD1 ASN A 69 6.192 -12.659 0.980 1.00 0.00 O ATOM 1035 ND2 ASN A 69 8.089 -11.771 0.176 1.00 0.00 N ATOM 0 H ASN A 69 4.890 -13.338 -0.967 1.00 0.00 H new ATOM 0 HA ASN A 69 4.144 -10.850 0.209 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.304 -11.461 -1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.252 -10.081 -0.778 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.663 -12.275 0.852 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.528 -11.151 -0.504 1.00 0.00 H new ATOM 1042 N ILE A 70 3.084 -9.504 -1.532 1.00 0.00 N ATOM 1043 CA ILE A 70 2.439 -8.673 -2.537 1.00 0.00 C ATOM 1044 C ILE A 70 3.462 -8.237 -3.595 1.00 0.00 C ATOM 1045 O ILE A 70 3.208 -8.352 -4.798 1.00 0.00 O ATOM 1046 CB ILE A 70 1.780 -7.427 -1.904 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.814 -7.834 -0.784 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.057 -6.606 -2.958 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.284 -8.780 -1.224 1.00 0.00 C ATOM 0 H ILE A 70 2.952 -9.186 -0.572 1.00 0.00 H new ATOM 0 HA ILE A 70 1.656 -9.268 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 70 2.568 -6.811 -1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.383 -8.304 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.359 -6.935 -0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.601 -5.734 -2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.769 -6.280 -3.717 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.282 -7.214 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.922 -9.018 -0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.881 -8.307 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.160 -9.697 -1.612 1.00 0.00 H new ATOM 1061 N PRO A 71 4.664 -7.779 -3.169 1.00 0.00 N ATOM 1062 CA PRO A 71 5.720 -7.382 -4.101 1.00 0.00 C ATOM 1063 C PRO A 71 6.203 -8.556 -4.940 1.00 0.00 C ATOM 1064 O PRO A 71 6.749 -8.361 -6.022 1.00 0.00 O ATOM 1065 CB PRO A 71 6.845 -6.877 -3.196 1.00 0.00 C ATOM 1066 CG PRO A 71 6.588 -7.521 -1.883 1.00 0.00 C ATOM 1067 CD PRO A 71 5.095 -7.617 -1.767 1.00 0.00 C ATOM 0 HA PRO A 71 5.372 -6.633 -4.813 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.824 -7.154 -3.588 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.830 -5.790 -3.114 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.049 -8.507 -1.833 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.008 -6.931 -1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.791 -8.463 -1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.667 -6.723 -1.314 1.00 0.00 H new ATOM 1075 N LEU A 72 6.009 -9.778 -4.438 1.00 0.00 N ATOM 1076 CA LEU A 72 6.406 -10.966 -5.187 1.00 0.00 C ATOM 1077 C LEU A 72 5.584 -11.072 -6.457 1.00 0.00 C ATOM 1078 O LEU A 72 6.051 -11.582 -7.472 1.00 0.00 O ATOM 1079 CB LEU A 72 6.227 -12.229 -4.356 1.00 0.00 C ATOM 1080 CG LEU A 72 7.525 -12.851 -3.827 1.00 0.00 C ATOM 1081 CD1 LEU A 72 8.376 -11.810 -3.113 1.00 0.00 C ATOM 1082 CD2 LEU A 72 7.217 -14.016 -2.901 1.00 0.00 C ATOM 0 H LEU A 72 5.586 -9.967 -3.529 1.00 0.00 H new ATOM 0 HA LEU A 72 7.462 -10.869 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.581 -11.999 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.707 -12.972 -4.961 1.00 0.00 H new ATOM 0 HG LEU A 72 8.094 -13.226 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.291 -12.277 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.630 -11.009 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.818 -11.398 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.149 -14.446 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.624 -13.663 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.657 -14.776 -3.446 1.00 0.00 H new ATOM 1094 N ASP A 73 4.353 -10.590 -6.389 1.00 0.00 N ATOM 1095 CA ASP A 73 3.475 -10.585 -7.549 1.00 0.00 C ATOM 1096 C ASP A 73 4.045 -9.661 -8.617 1.00 0.00 C ATOM 1097 O ASP A 73 4.134 -10.025 -9.790 1.00 0.00 O ATOM 1098 CB ASP A 73 2.068 -10.131 -7.156 1.00 0.00 C ATOM 1099 CG ASP A 73 1.097 -11.290 -7.042 1.00 0.00 C ATOM 1100 OD1 ASP A 73 1.494 -12.348 -6.510 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.062 -11.138 -7.484 1.00 0.00 O ATOM 0 H ASP A 73 3.939 -10.197 -5.543 1.00 0.00 H new ATOM 0 HA ASP A 73 3.410 -11.598 -7.946 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.112 -9.603 -6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.698 -9.422 -7.897 1.00 0.00 H new ATOM 1106 N ALA A 74 4.455 -8.470 -8.189 1.00 0.00 N ATOM 1107 CA ALA A 74 5.051 -7.490 -9.093 1.00 0.00 C ATOM 1108 C ALA A 74 6.461 -7.899 -9.504 1.00 0.00 C ATOM 1109 O ALA A 74 6.934 -7.534 -10.579 1.00 0.00 O ATOM 1110 CB ALA A 74 5.070 -6.117 -8.441 1.00 0.00 C ATOM 0 H ALA A 74 4.385 -8.160 -7.220 1.00 0.00 H new ATOM 0 HA ALA A 74 4.439 -7.448 -9.994 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.517 -5.396 -9.125 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.050 -5.811 -8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.657 -6.158 -7.523 1.00 0.00 H new ATOM 1116 N ARG A 75 7.147 -8.614 -8.618 1.00 0.00 N ATOM 1117 CA ARG A 75 8.507 -9.070 -8.884 1.00 0.00 C ATOM 1118 C ARG A 75 8.506 -10.202 -9.903 1.00 0.00 C ATOM 1119 O ARG A 75 9.216 -10.151 -10.908 1.00 0.00 O ATOM 1120 CB ARG A 75 9.169 -9.536 -7.585 1.00 0.00 C ATOM 1121 CG ARG A 75 10.533 -10.176 -7.789 1.00 0.00 C ATOM 1122 CD ARG A 75 10.605 -11.553 -7.148 1.00 0.00 C ATOM 1123 NE ARG A 75 11.007 -12.580 -8.104 1.00 0.00 N ATOM 1124 CZ ARG A 75 10.524 -13.820 -8.101 1.00 0.00 C ATOM 1125 NH1 ARG A 75 9.625 -14.183 -7.196 1.00 0.00 N ATOM 1126 NH2 ARG A 75 10.940 -14.697 -9.003 1.00 0.00 N ATOM 0 H ARG A 75 6.782 -8.891 -7.707 1.00 0.00 H new ATOM 0 HA ARG A 75 9.075 -8.235 -9.295 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.275 -8.683 -6.915 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.512 -10.251 -7.089 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.741 -10.259 -8.856 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.304 -9.535 -7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.314 -11.531 -6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.632 -11.809 -6.728 1.00 0.00 H new ATOM 0 HE ARG A 75 11.697 -12.334 -8.814 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.302 -13.511 -6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.257 -15.134 -7.196 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.631 -14.422 -9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.569 -15.647 -9.000 1.00 0.00 H new ATOM 1140 N ASN A 76 7.704 -11.223 -9.623 1.00 0.00 N ATOM 1141 CA ASN A 76 7.588 -12.380 -10.499 1.00 0.00 C ATOM 1142 C ASN A 76 7.327 -11.945 -11.938 1.00 0.00 C ATOM 1143 O ASN A 76 8.031 -12.362 -12.858 1.00 0.00 O ATOM 1144 CB ASN A 76 6.463 -13.294 -10.007 1.00 0.00 C ATOM 1145 CG ASN A 76 6.756 -14.760 -10.259 1.00 0.00 C ATOM 1146 OD1 ASN A 76 7.914 -15.180 -10.271 1.00 0.00 O ATOM 1147 ND2 ASN A 76 5.707 -15.548 -10.464 1.00 0.00 N ATOM 0 H ASN A 76 7.120 -11.271 -8.788 1.00 0.00 H new ATOM 0 HA ASN A 76 8.529 -12.930 -10.476 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.311 -13.135 -8.939 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.533 -13.021 -10.506 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.844 -16.543 -10.640 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.765 -15.158 -10.445 1.00 0.00 H new ATOM 1154 N HIS A 77 6.324 -11.093 -12.124 1.00 0.00 N ATOM 1155 CA HIS A 77 5.997 -10.579 -13.449 1.00 0.00 C ATOM 1156 C HIS A 77 7.054 -9.580 -13.907 1.00 0.00 C ATOM 1157 O HIS A 77 7.676 -9.757 -14.954 1.00 0.00 O ATOM 1158 CB HIS A 77 4.616 -9.919 -13.444 1.00 0.00 C ATOM 1159 CG HIS A 77 3.652 -10.552 -14.398 1.00 0.00 C ATOM 1160 ND1 HIS A 77 3.286 -11.873 -14.276 1.00 0.00 N ATOM 1161 CD2 HIS A 77 3.017 -10.014 -15.467 1.00 0.00 C ATOM 1162 CE1 HIS A 77 2.440 -12.107 -15.263 1.00 0.00 C ATOM 1163 NE2 HIS A 77 2.247 -11.010 -16.010 1.00 0.00 N ATOM 0 H HIS A 77 5.725 -10.745 -11.376 1.00 0.00 H new ATOM 0 HA HIS A 77 5.980 -11.416 -14.147 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.203 -9.966 -12.437 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.725 -8.864 -13.695 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.101 -8.998 -15.823 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.965 -13.060 -15.445 1.00 0.00 H new ATOM 0 HE2 HIS A 77 1.642 -10.932 -16.827 1.00 0.00 H new ATOM 1171 N GLY A 78 7.263 -8.540 -13.106 1.00 0.00 N ATOM 1172 CA GLY A 78 8.265 -7.541 -13.433 1.00 0.00 C ATOM 1173 C GLY A 78 7.805 -6.125 -13.145 1.00 0.00 C ATOM 1174 O GLY A 78 6.973 -5.576 -13.868 1.00 0.00 O ATOM 0 H GLY A 78 6.757 -8.371 -12.237 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.173 -7.745 -12.865 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.524 -7.626 -14.488 1.00 0.00 H new ATOM 1178 N TYR A 79 8.363 -5.527 -12.095 1.00 0.00 N ATOM 1179 CA TYR A 79 8.025 -4.157 -11.723 1.00 0.00 C ATOM 1180 C TYR A 79 9.286 -3.298 -11.614 1.00 0.00 C ATOM 1181 O TYR A 79 10.165 -3.365 -12.473 1.00 0.00 O ATOM 1182 CB TYR A 79 7.247 -4.136 -10.402 1.00 0.00 C ATOM 1183 CG TYR A 79 6.115 -3.136 -10.387 1.00 0.00 C ATOM 1184 CD1 TYR A 79 6.358 -1.787 -10.159 1.00 0.00 C ATOM 1185 CD2 TYR A 79 4.806 -3.538 -10.608 1.00 0.00 C ATOM 1186 CE1 TYR A 79 5.327 -0.869 -10.147 1.00 0.00 C ATOM 1187 CE2 TYR A 79 3.768 -2.626 -10.594 1.00 0.00 C ATOM 1188 CZ TYR A 79 4.035 -1.293 -10.365 1.00 0.00 C ATOM 1189 OH TYR A 79 3.005 -0.383 -10.354 1.00 0.00 O ATOM 0 H TYR A 79 9.051 -5.971 -11.487 1.00 0.00 H new ATOM 0 HA TYR A 79 7.392 -3.738 -12.505 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.845 -5.131 -10.210 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.935 -3.907 -9.588 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.370 -1.451 -9.988 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.595 -4.581 -10.794 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.533 0.176 -9.968 1.00 0.00 H new ATOM 0 HE2 TYR A 79 2.753 -2.956 -10.762 1.00 0.00 H new ATOM 0 HH TYR A 79 2.678 -0.248 -11.268 1.00 0.00 H new ATOM 1199 N THR A 80 9.369 -2.487 -10.560 1.00 0.00 N ATOM 1200 CA THR A 80 10.521 -1.617 -10.354 1.00 0.00 C ATOM 1201 C THR A 80 11.352 -2.084 -9.163 1.00 0.00 C ATOM 1202 O THR A 80 12.392 -2.720 -9.331 1.00 0.00 O ATOM 1203 CB THR A 80 10.061 -0.174 -10.140 1.00 0.00 C ATOM 1204 OG1 THR A 80 8.993 0.147 -11.016 1.00 0.00 O ATOM 1205 CG2 THR A 80 11.158 0.844 -10.359 1.00 0.00 C ATOM 0 H THR A 80 8.652 -2.416 -9.838 1.00 0.00 H new ATOM 0 HA THR A 80 11.146 -1.664 -11.246 1.00 0.00 H new ATOM 0 HB THR A 80 9.746 -0.123 -9.098 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.711 1.073 -10.863 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.763 1.846 -10.191 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.975 0.654 -9.663 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.527 0.766 -11.382 1.00 0.00 H new ATOM 1213 N VAL A 81 10.885 -1.765 -7.958 1.00 0.00 N ATOM 1214 CA VAL A 81 11.591 -2.148 -6.741 1.00 0.00 C ATOM 1215 C VAL A 81 10.714 -3.009 -5.838 1.00 0.00 C ATOM 1216 O VAL A 81 9.645 -2.582 -5.404 1.00 0.00 O ATOM 1217 CB VAL A 81 12.065 -0.913 -5.953 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.112 -1.307 -4.922 1.00 0.00 C ATOM 1219 CG2 VAL A 81 12.609 0.149 -6.895 1.00 0.00 C ATOM 0 H VAL A 81 10.023 -1.244 -7.800 1.00 0.00 H new ATOM 0 HA VAL A 81 12.460 -2.727 -7.053 1.00 0.00 H new ATOM 0 HB VAL A 81 11.208 -0.492 -5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.435 -0.421 -4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.684 -2.028 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.969 -1.755 -5.426 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.938 1.013 -6.318 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.452 -0.257 -7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.827 0.454 -7.590 1.00 0.00 H new ATOM 1229 N LEU A 82 11.184 -4.218 -5.547 1.00 0.00 N ATOM 1230 CA LEU A 82 10.458 -5.150 -4.692 1.00 0.00 C ATOM 1231 C LEU A 82 11.323 -5.580 -3.509 1.00 0.00 C ATOM 1232 O LEU A 82 12.257 -6.366 -3.667 1.00 0.00 O ATOM 1233 CB LEU A 82 10.031 -6.391 -5.488 1.00 0.00 C ATOM 1234 CG LEU A 82 9.101 -6.138 -6.682 1.00 0.00 C ATOM 1235 CD1 LEU A 82 7.963 -5.204 -6.299 1.00 0.00 C ATOM 1236 CD2 LEU A 82 9.882 -5.578 -7.862 1.00 0.00 C ATOM 0 H LEU A 82 12.073 -4.577 -5.895 1.00 0.00 H new ATOM 0 HA LEU A 82 9.570 -4.640 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.929 -6.891 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.535 -7.082 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 82 8.667 -7.093 -6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.319 -5.042 -7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.382 -5.650 -5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.372 -4.250 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.204 -5.406 -8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.350 -4.637 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.652 -6.290 -8.160 1.00 0.00 H new ATOM 1248 N ASP A 83 11.008 -5.061 -2.325 1.00 0.00 N ATOM 1249 CA ASP A 83 11.761 -5.394 -1.120 1.00 0.00 C ATOM 1250 C ASP A 83 10.823 -5.805 0.010 1.00 0.00 C ATOM 1251 O ASP A 83 9.767 -5.206 0.199 1.00 0.00 O ATOM 1252 CB ASP A 83 12.616 -4.204 -0.683 1.00 0.00 C ATOM 1253 CG ASP A 83 13.745 -3.917 -1.652 1.00 0.00 C ATOM 1254 OD1 ASP A 83 14.542 -4.841 -1.924 1.00 0.00 O ATOM 1255 OD2 ASP A 83 13.832 -2.771 -2.140 1.00 0.00 O ATOM 0 H ASP A 83 10.238 -4.409 -2.175 1.00 0.00 H new ATOM 0 HA ASP A 83 12.414 -6.236 -1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.985 -3.320 -0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.031 -4.402 0.306 1.00 0.00 H new ATOM 1260 N ILE A 84 11.214 -6.835 0.757 1.00 0.00 N ATOM 1261 CA ILE A 84 10.399 -7.327 1.863 1.00 0.00 C ATOM 1262 C ILE A 84 11.200 -7.404 3.159 1.00 0.00 C ATOM 1263 O ILE A 84 12.429 -7.321 3.151 1.00 0.00 O ATOM 1264 CB ILE A 84 9.803 -8.718 1.557 1.00 0.00 C ATOM 1265 CG1 ILE A 84 10.867 -9.815 1.703 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.190 -8.742 0.165 1.00 0.00 C ATOM 1267 CD1 ILE A 84 11.949 -9.772 0.644 1.00 0.00 C ATOM 0 H ILE A 84 12.087 -7.343 0.617 1.00 0.00 H new ATOM 0 HA ILE A 84 9.586 -6.611 1.987 1.00 0.00 H new ATOM 0 HB ILE A 84 9.014 -8.917 2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.331 -9.727 2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.377 -10.788 1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.775 -9.730 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.397 -7.997 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.958 -8.516 -0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.661 -10.579 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 84 11.499 -9.892 -0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.467 -8.814 0.692 1.00 0.00 H new ATOM 1279 N GLN A 85 10.490 -7.567 4.272 1.00 0.00 N ATOM 1280 CA GLN A 85 11.121 -7.667 5.582 1.00 0.00 C ATOM 1281 C GLN A 85 10.236 -8.446 6.549 1.00 0.00 C ATOM 1282 O GLN A 85 9.012 -8.325 6.517 1.00 0.00 O ATOM 1283 CB GLN A 85 11.404 -6.271 6.142 1.00 0.00 C ATOM 1284 CG GLN A 85 12.470 -6.253 7.225 1.00 0.00 C ATOM 1285 CD GLN A 85 12.770 -4.854 7.725 1.00 0.00 C ATOM 1286 OE1 GLN A 85 12.960 -3.929 6.936 1.00 0.00 O ATOM 1287 NE2 GLN A 85 12.812 -4.692 9.042 1.00 0.00 N ATOM 0 H GLN A 85 9.472 -7.633 4.291 1.00 0.00 H new ATOM 0 HA GLN A 85 12.064 -8.202 5.467 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.716 -5.618 5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.480 -5.857 6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.144 -6.871 8.061 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.385 -6.700 6.836 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.648 -5.487 9.659 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.008 -3.772 9.437 1.00 0.00 H new ATOM 1296 N GLN A 86 10.861 -9.246 7.408 1.00 0.00 N ATOM 1297 CA GLN A 86 10.122 -10.043 8.383 1.00 0.00 C ATOM 1298 C GLN A 86 10.599 -9.746 9.800 1.00 0.00 C ATOM 1299 O GLN A 86 11.747 -9.353 10.008 1.00 0.00 O ATOM 1300 CB GLN A 86 10.277 -11.538 8.084 1.00 0.00 C ATOM 1301 CG GLN A 86 10.934 -11.834 6.746 1.00 0.00 C ATOM 1302 CD GLN A 86 12.410 -12.156 6.880 1.00 0.00 C ATOM 1303 OE1 GLN A 86 12.792 -13.317 7.031 1.00 0.00 O ATOM 1304 NE2 GLN A 86 13.248 -11.127 6.827 1.00 0.00 N ATOM 0 H GLN A 86 11.874 -9.360 7.449 1.00 0.00 H new ATOM 0 HA GLN A 86 9.068 -9.774 8.307 1.00 0.00 H new ATOM 0 HB2 GLN A 86 10.867 -11.998 8.877 1.00 0.00 H new ATOM 0 HB3 GLN A 86 9.293 -12.007 8.106 1.00 0.00 H new ATOM 0 HG2 GLN A 86 10.424 -12.673 6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 86 10.812 -10.974 6.087 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.887 -10.181 6.701 1.00 0.00 H new ATOM 0 HE22 GLN A 86 14.252 -11.282 6.913 1.00 0.00 H new ATOM 1313 N ASP A 87 9.710 -9.933 10.772 1.00 0.00 N ATOM 1314 CA ASP A 87 10.044 -9.680 12.168 1.00 0.00 C ATOM 1315 C ASP A 87 9.851 -10.936 13.011 1.00 0.00 C ATOM 1316 O ASP A 87 10.814 -11.631 13.338 1.00 0.00 O ATOM 1317 CB ASP A 87 9.183 -8.543 12.719 1.00 0.00 C ATOM 1318 CG ASP A 87 9.573 -8.152 14.131 1.00 0.00 C ATOM 1319 OD1 ASP A 87 10.465 -7.292 14.283 1.00 0.00 O ATOM 1320 OD2 ASP A 87 8.986 -8.705 15.084 1.00 0.00 O ATOM 0 H ASP A 87 8.756 -10.258 10.618 1.00 0.00 H new ATOM 0 HA ASP A 87 11.094 -9.390 12.219 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.273 -7.674 12.067 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.136 -8.845 12.705 1.00 0.00 H new ATOM 1325 N GLY A 88 8.600 -11.223 13.356 1.00 0.00 N ATOM 1326 CA GLY A 88 8.303 -12.395 14.157 1.00 0.00 C ATOM 1327 C GLY A 88 7.103 -13.165 13.638 1.00 0.00 C ATOM 1328 O GLY A 88 7.224 -13.930 12.680 1.00 0.00 O ATOM 0 H GLY A 88 7.787 -10.665 13.095 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.173 -13.051 14.171 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.117 -12.090 15.187 1.00 0.00 H new ATOM 1332 N PRO A 89 5.920 -12.982 14.250 1.00 0.00 N ATOM 1333 CA PRO A 89 4.703 -13.681 13.838 1.00 0.00 C ATOM 1334 C PRO A 89 4.037 -13.034 12.628 1.00 0.00 C ATOM 1335 O PRO A 89 2.943 -13.433 12.226 1.00 0.00 O ATOM 1336 CB PRO A 89 3.808 -13.556 15.068 1.00 0.00 C ATOM 1337 CG PRO A 89 4.208 -12.262 15.688 1.00 0.00 C ATOM 1338 CD PRO A 89 5.679 -12.095 15.407 1.00 0.00 C ATOM 0 HA PRO A 89 4.902 -14.708 13.531 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.753 -13.556 14.793 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.958 -14.389 15.755 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.635 -11.436 15.267 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.015 -12.269 16.761 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.927 -11.059 15.175 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.286 -12.384 16.265 1.00 0.00 H new ATOM 1346 N THR A 90 4.693 -12.027 12.056 1.00 0.00 N ATOM 1347 CA THR A 90 4.153 -11.327 10.895 1.00 0.00 C ATOM 1348 C THR A 90 5.256 -10.984 9.900 1.00 0.00 C ATOM 1349 O THR A 90 6.437 -11.205 10.166 1.00 0.00 O ATOM 1350 CB THR A 90 3.435 -10.046 11.332 1.00 0.00 C ATOM 1351 OG1 THR A 90 4.360 -9.107 11.851 1.00 0.00 O ATOM 1352 CG2 THR A 90 2.373 -10.276 12.385 1.00 0.00 C ATOM 0 H THR A 90 5.596 -11.679 12.377 1.00 0.00 H new ATOM 0 HA THR A 90 3.440 -11.991 10.406 1.00 0.00 H new ATOM 0 HB THR A 90 2.949 -9.669 10.432 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.884 -8.295 12.123 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.907 -9.326 12.646 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.616 -10.956 11.996 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.830 -10.712 13.273 1.00 0.00 H new ATOM 1360 N ILE A 91 4.859 -10.437 8.755 1.00 0.00 N ATOM 1361 CA ILE A 91 5.810 -10.050 7.720 1.00 0.00 C ATOM 1362 C ILE A 91 5.286 -8.858 6.919 1.00 0.00 C ATOM 1363 O ILE A 91 4.115 -8.817 6.541 1.00 0.00 O ATOM 1364 CB ILE A 91 6.117 -11.224 6.767 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.201 -10.819 5.764 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.856 -11.683 6.045 1.00 0.00 C ATOM 1367 CD1 ILE A 91 7.792 -11.985 5.000 1.00 0.00 C ATOM 0 H ILE A 91 3.884 -10.252 8.521 1.00 0.00 H new ATOM 0 HA ILE A 91 6.735 -9.764 8.221 1.00 0.00 H new ATOM 0 HB ILE A 91 6.486 -12.062 7.359 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.779 -10.108 5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.000 -10.302 6.296 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.099 -12.511 5.379 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.117 -12.010 6.776 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.449 -10.857 5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.552 -11.620 4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.245 -12.687 5.700 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.005 -12.489 4.439 1.00 0.00 H new ATOM 1379 N ARG A 92 6.155 -7.880 6.679 1.00 0.00 N ATOM 1380 CA ARG A 92 5.769 -6.675 5.954 1.00 0.00 C ATOM 1381 C ARG A 92 6.659 -6.455 4.735 1.00 0.00 C ATOM 1382 O ARG A 92 7.886 -6.477 4.836 1.00 0.00 O ATOM 1383 CB ARG A 92 5.843 -5.462 6.891 1.00 0.00 C ATOM 1384 CG ARG A 92 6.149 -4.145 6.189 1.00 0.00 C ATOM 1385 CD ARG A 92 7.027 -3.249 7.046 1.00 0.00 C ATOM 1386 NE ARG A 92 7.113 -1.892 6.512 1.00 0.00 N ATOM 1387 CZ ARG A 92 6.225 -0.936 6.779 1.00 0.00 C ATOM 1388 NH1 ARG A 92 5.191 -1.188 7.569 1.00 0.00 N ATOM 1389 NH2 ARG A 92 6.374 0.273 6.253 1.00 0.00 N ATOM 0 H ARG A 92 7.131 -7.899 6.976 1.00 0.00 H new ATOM 0 HA ARG A 92 4.745 -6.799 5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.894 -5.367 7.419 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.609 -5.646 7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.647 -4.344 5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 92 5.217 -3.629 5.958 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.629 -3.215 8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.027 -3.677 7.111 1.00 0.00 H new ATOM 0 HE ARG A 92 7.897 -1.664 5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.073 -2.116 7.975 1.00 0.00 H new ATOM 0 HH12 ARG A 92 4.513 -0.453 7.771 1.00 0.00 H new ATOM 0 HH21 ARG A 92 7.168 0.470 5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 92 5.694 1.005 6.457 1.00 0.00 H new ATOM 1403 N TYR A 93 6.030 -6.212 3.586 1.00 0.00 N ATOM 1404 CA TYR A 93 6.761 -5.956 2.352 1.00 0.00 C ATOM 1405 C TYR A 93 6.345 -4.618 1.746 1.00 0.00 C ATOM 1406 O TYR A 93 5.295 -4.074 2.084 1.00 0.00 O ATOM 1407 CB TYR A 93 6.524 -7.073 1.337 1.00 0.00 C ATOM 1408 CG TYR A 93 5.691 -8.226 1.848 1.00 0.00 C ATOM 1409 CD1 TYR A 93 6.286 -9.319 2.463 1.00 0.00 C ATOM 1410 CD2 TYR A 93 4.314 -8.240 1.677 1.00 0.00 C ATOM 1411 CE1 TYR A 93 5.527 -10.382 2.914 1.00 0.00 C ATOM 1412 CE2 TYR A 93 3.548 -9.298 2.128 1.00 0.00 C ATOM 1413 CZ TYR A 93 4.160 -10.366 2.747 1.00 0.00 C ATOM 1414 OH TYR A 93 3.402 -11.423 3.197 1.00 0.00 O ATOM 0 H TYR A 93 5.015 -6.188 3.487 1.00 0.00 H new ATOM 0 HA TYR A 93 7.823 -5.921 2.597 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.035 -6.650 0.460 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.490 -7.458 1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.358 -9.339 2.591 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.832 -7.409 1.183 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.004 -11.223 3.396 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.476 -9.288 1.996 1.00 0.00 H new ATOM 0 HH TYR A 93 2.457 -11.254 3.002 1.00 0.00 H new ATOM 1424 N LEU A 94 7.183 -4.087 0.860 1.00 0.00 N ATOM 1425 CA LEU A 94 6.900 -2.809 0.211 1.00 0.00 C ATOM 1426 C LEU A 94 7.610 -2.695 -1.136 1.00 0.00 C ATOM 1427 O LEU A 94 8.724 -3.190 -1.306 1.00 0.00 O ATOM 1428 CB LEU A 94 7.328 -1.653 1.117 1.00 0.00 C ATOM 1429 CG LEU A 94 8.673 -1.846 1.820 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.524 -0.592 1.699 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.461 -2.211 3.282 1.00 0.00 C ATOM 0 H LEU A 94 8.061 -4.520 0.575 1.00 0.00 H new ATOM 0 HA LEU A 94 5.826 -2.758 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.374 -0.742 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.558 -1.500 1.874 1.00 0.00 H new ATOM 0 HG LEU A 94 9.202 -2.666 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.477 -0.749 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.704 -0.375 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.002 0.247 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.428 -2.345 3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.912 -1.412 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.891 -3.138 3.347 1.00 0.00 H new ATOM 1443 N ILE A 95 6.968 -2.013 -2.083 1.00 0.00 N ATOM 1444 CA ILE A 95 7.555 -1.787 -3.401 1.00 0.00 C ATOM 1445 C ILE A 95 7.605 -0.291 -3.701 1.00 0.00 C ATOM 1446 O ILE A 95 6.844 0.486 -3.131 1.00 0.00 O ATOM 1447 CB ILE A 95 6.791 -2.540 -4.526 1.00 0.00 C ATOM 1448 CG1 ILE A 95 5.951 -1.579 -5.386 1.00 0.00 C ATOM 1449 CG2 ILE A 95 5.907 -3.627 -3.935 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.615 -1.206 -6.695 1.00 0.00 C ATOM 0 H ILE A 95 6.040 -1.607 -1.961 1.00 0.00 H new ATOM 0 HA ILE A 95 8.568 -2.188 -3.380 1.00 0.00 H new ATOM 0 HB ILE A 95 7.536 -3.002 -5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.986 -2.040 -5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.754 -0.671 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.380 -4.143 -4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.524 -4.340 -3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.183 -3.178 -3.256 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.968 -0.527 -7.250 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.568 -0.716 -6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.788 -2.106 -7.285 1.00 0.00 H new ATOM 1462 N GLN A 96 8.524 0.113 -4.571 1.00 0.00 N ATOM 1463 CA GLN A 96 8.666 1.523 -4.914 1.00 0.00 C ATOM 1464 C GLN A 96 9.276 1.698 -6.299 1.00 0.00 C ATOM 1465 O GLN A 96 9.459 0.730 -7.039 1.00 0.00 O ATOM 1466 CB GLN A 96 9.531 2.233 -3.872 1.00 0.00 C ATOM 1467 CG GLN A 96 10.979 1.766 -3.862 1.00 0.00 C ATOM 1468 CD GLN A 96 11.312 0.928 -2.644 1.00 0.00 C ATOM 1469 OE1 GLN A 96 11.915 1.415 -1.687 1.00 0.00 O ATOM 1470 NE2 GLN A 96 10.922 -0.341 -2.673 1.00 0.00 N ATOM 0 H GLN A 96 9.176 -0.509 -5.048 1.00 0.00 H new ATOM 0 HA GLN A 96 7.671 1.967 -4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.505 3.306 -4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.100 2.073 -2.884 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.176 1.185 -4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.637 2.634 -3.892 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.425 -0.703 -3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.120 -0.954 -1.882 1.00 0.00 H new ATOM 1479 N LYS A 97 9.625 2.937 -6.623 1.00 0.00 N ATOM 1480 CA LYS A 97 10.224 3.253 -7.914 1.00 0.00 C ATOM 1481 C LYS A 97 11.579 3.931 -7.732 1.00 0.00 C ATOM 1482 O LYS A 97 11.890 4.332 -6.590 1.00 0.00 O ATOM 1483 CB LYS A 97 9.294 4.162 -8.720 1.00 0.00 C ATOM 1484 CG LYS A 97 9.231 5.587 -8.192 1.00 0.00 C ATOM 1485 CD LYS A 97 9.971 6.552 -9.103 1.00 0.00 C ATOM 1486 CE LYS A 97 10.672 7.641 -8.309 1.00 0.00 C ATOM 1487 NZ LYS A 97 9.862 8.889 -8.241 1.00 0.00 N ATOM 1488 OXT LYS A 97 12.315 4.057 -8.733 1.00 0.00 O ATOM 0 H LYS A 97 9.503 3.741 -6.008 1.00 0.00 H new ATOM 0 HA LYS A 97 10.373 2.320 -8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.628 4.182 -9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.290 3.737 -8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.190 5.897 -8.101 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.663 5.625 -7.192 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.703 6.005 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.268 7.005 -9.802 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.871 7.282 -7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.637 7.859 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.376 9.607 -7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.693 9.246 -9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.951 8.687 -7.782 1.00 0.00 H new