USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 914 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 9 LYS NZ :NH3+ 174:sc= 0.369 (180deg=0) USER MOD Set 1.2: A 114 SER OG : rot -140:sc= 0.216 USER MOD Set 2.1: A 25 HIS : no HE2:sc= 1.08 K(o=1.4,f=-3!) USER MOD Set 2.2: A 44 SER OG : rot -54:sc= 0.276 USER MOD Single : A 1 ARG N :NH3+ -127:sc= 0.195 (180deg=-0.0892) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -93:sc= 0.0327 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 17:sc= 0.558 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -3.3! K(o=-3.3!,f=-0.075) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1 K(o=-1,f=-0.059) USER MOD Single : A 21 GLN : amide:sc= -0.0158 X(o=-0.016,f=-0.039) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -100:sc= -0.015 USER MOD Single : A 53 THR OG1 : rot 5:sc= 0.192 USER MOD Single : A 55 GLN : amide:sc= 0.758 K(o=0.76,f=-0.098) USER MOD Single : A 56 LYS NZ :NH3+ -155:sc= 0.906 (180deg=0.487) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= 1.24 K(o=1.4,f=-4.6!) USER MOD Single : A 60 THR OG1 : rot -147:sc= 1.17 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc=-0.00278 X(o=-0.0028,f=-0.077) USER MOD Single : A 71 MET CE :methyl -171:sc= 0 (180deg=-0.0367) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -21:sc= 0.115 USER MOD Single : A 74 ASN : amide:sc= 0.389 K(o=0.39,f=-0.13) USER MOD Single : A 77 HIS : no HD1:sc= -0.012 X(o=-0.012,f=-0.012) USER MOD Single : A 79 LYS NZ :NH3+ -130:sc= 0.213 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.934 K(o=0.93,f=-0.67) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00652) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -2.71! X(o=-2.7!,f=-2.8) USER MOD Single : A 107 THR OG1 : rot -123:sc= 0.85 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc=-0.00994 X(o=-0.0099,f=-0.38) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 16.925 -7.071 17.617 1.00 0.00 N ATOM 2 CA ARG A 1 17.672 -6.872 16.340 1.00 0.00 C ATOM 3 C ARG A 1 17.389 -8.041 15.378 1.00 0.00 C ATOM 4 O ARG A 1 18.150 -9.011 15.377 1.00 0.00 O ATOM 5 CB ARG A 1 19.191 -6.673 16.589 1.00 0.00 C ATOM 6 CG ARG A 1 19.525 -5.544 17.582 1.00 0.00 C ATOM 7 CD ARG A 1 21.039 -5.303 17.672 1.00 0.00 C ATOM 8 NE ARG A 1 21.381 -4.495 18.859 1.00 0.00 N ATOM 9 CZ ARG A 1 21.641 -4.927 20.080 1.00 0.00 C ATOM 10 NH1 ARG A 1 21.650 -6.195 20.383 1.00 0.00 N ATOM 11 NH2 ARG A 1 21.893 -4.085 21.039 1.00 0.00 N ATOM 0 H1 ARG A 1 16.364 -6.221 17.827 1.00 0.00 H new ATOM 0 H2 ARG A 1 16.291 -7.890 17.524 1.00 0.00 H new ATOM 0 H3 ARG A 1 17.599 -7.240 18.391 1.00 0.00 H new ATOM 0 HA ARG A 1 17.318 -5.954 15.870 1.00 0.00 H new ATOM 0 HB2 ARG A 1 19.612 -7.607 16.962 1.00 0.00 H new ATOM 0 HB3 ARG A 1 19.679 -6.461 15.638 1.00 0.00 H new ATOM 0 HG2 ARG A 1 19.027 -4.626 17.271 1.00 0.00 H new ATOM 0 HG3 ARG A 1 19.137 -5.799 18.568 1.00 0.00 H new ATOM 0 HD2 ARG A 1 21.560 -6.259 17.717 1.00 0.00 H new ATOM 0 HD3 ARG A 1 21.383 -4.795 16.771 1.00 0.00 H new ATOM 0 HE ARG A 1 21.421 -3.485 18.720 1.00 0.00 H new ATOM 0 HH11 ARG A 1 21.452 -6.892 19.665 1.00 0.00 H new ATOM 0 HH12 ARG A 1 21.855 -6.490 21.338 1.00 0.00 H new ATOM 0 HH21 ARG A 1 21.891 -3.082 20.851 1.00 0.00 H new ATOM 0 HH22 ARG A 1 22.093 -4.427 21.979 1.00 0.00 H new ATOM 27 N PRO A 2 16.275 -8.024 14.608 1.00 0.00 N ATOM 28 CA PRO A 2 15.840 -9.204 13.846 1.00 0.00 C ATOM 29 C PRO A 2 16.732 -9.490 12.625 1.00 0.00 C ATOM 30 O PRO A 2 17.233 -10.604 12.465 1.00 0.00 O ATOM 31 CB PRO A 2 14.384 -8.928 13.452 1.00 0.00 C ATOM 32 CG PRO A 2 14.285 -7.403 13.430 1.00 0.00 C ATOM 33 CD PRO A 2 15.283 -6.952 14.498 1.00 0.00 C ATOM 0 HA PRO A 2 15.924 -10.108 14.450 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.147 -9.357 12.478 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.688 -9.362 14.170 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.540 -7.001 12.450 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.274 -7.065 13.660 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.756 -6.011 14.216 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.783 -6.785 15.452 1.00 0.00 H new ATOM 41 N CYS A 3 16.943 -8.474 11.785 1.00 0.00 N ATOM 42 CA CYS A 3 17.807 -8.469 10.601 1.00 0.00 C ATOM 43 C CYS A 3 18.527 -7.113 10.478 1.00 0.00 C ATOM 44 O CYS A 3 18.170 -6.146 11.158 1.00 0.00 O ATOM 45 CB CYS A 3 16.953 -8.749 9.352 1.00 0.00 C ATOM 46 SG CYS A 3 16.132 -10.370 9.312 1.00 0.00 S ATOM 0 H CYS A 3 16.485 -7.573 11.923 1.00 0.00 H new ATOM 0 HA CYS A 3 18.565 -9.247 10.695 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.191 -7.973 9.273 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.589 -8.662 8.471 1.00 0.00 H new ATOM 51 N LYS A 4 19.528 -7.027 9.594 1.00 0.00 N ATOM 52 CA LYS A 4 20.221 -5.779 9.228 1.00 0.00 C ATOM 53 C LYS A 4 19.484 -5.089 8.071 1.00 0.00 C ATOM 54 O LYS A 4 19.096 -5.748 7.104 1.00 0.00 O ATOM 55 CB LYS A 4 21.667 -6.106 8.814 1.00 0.00 C ATOM 56 CG LYS A 4 22.534 -6.750 9.915 1.00 0.00 C ATOM 57 CD LYS A 4 23.031 -5.777 10.997 1.00 0.00 C ATOM 58 CE LYS A 4 24.134 -4.855 10.454 1.00 0.00 C ATOM 59 NZ LYS A 4 24.748 -4.038 11.533 1.00 0.00 N ATOM 0 H LYS A 4 19.890 -7.842 9.099 1.00 0.00 H new ATOM 0 HA LYS A 4 20.233 -5.104 10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.640 -6.777 7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.151 -5.187 8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.958 -7.541 10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.398 -7.223 9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.197 -5.176 11.359 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.412 -6.340 11.849 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.904 -5.455 9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.716 -4.197 9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 25.488 -3.429 11.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 24.018 -3.447 11.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 25.169 -4.666 12.247 1.00 0.00 H new ATOM 73 N TYR A 5 19.334 -3.766 8.147 1.00 0.00 N ATOM 74 CA TYR A 5 18.694 -2.935 7.115 1.00 0.00 C ATOM 75 C TYR A 5 19.468 -1.633 6.852 1.00 0.00 C ATOM 76 O TYR A 5 20.257 -1.171 7.682 1.00 0.00 O ATOM 77 CB TYR A 5 17.251 -2.581 7.519 1.00 0.00 C ATOM 78 CG TYR A 5 16.311 -3.729 7.841 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.297 -4.268 9.142 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.388 -4.197 6.883 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.352 -5.247 9.499 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.419 -5.151 7.248 1.00 0.00 C ATOM 83 CZ TYR A 5 14.407 -5.687 8.552 1.00 0.00 C ATOM 84 OH TYR A 5 13.495 -6.638 8.883 1.00 0.00 O ATOM 0 H TYR A 5 19.661 -3.225 8.947 1.00 0.00 H new ATOM 0 HA TYR A 5 18.693 -3.526 6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.296 -1.929 8.391 1.00 0.00 H new ATOM 0 HB3 TYR A 5 16.808 -2.001 6.710 1.00 0.00 H new ATOM 0 HD1 TYR A 5 17.017 -3.927 9.871 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.424 -3.824 5.870 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.351 -5.660 10.497 1.00 0.00 H new ATOM 0 HE2 TYR A 5 13.683 -5.473 6.527 1.00 0.00 H new ATOM 0 HH TYR A 5 13.842 -7.522 8.641 1.00 0.00 H new ATOM 94 N LYS A 6 19.202 -1.027 5.693 1.00 0.00 N ATOM 95 CA LYS A 6 19.764 0.236 5.190 1.00 0.00 C ATOM 96 C LYS A 6 18.838 1.419 5.488 1.00 0.00 C ATOM 97 O LYS A 6 17.618 1.253 5.577 1.00 0.00 O ATOM 98 CB LYS A 6 19.942 0.114 3.668 1.00 0.00 C ATOM 99 CG LYS A 6 20.848 -1.058 3.238 1.00 0.00 C ATOM 100 CD LYS A 6 20.441 -1.637 1.879 1.00 0.00 C ATOM 101 CE LYS A 6 20.560 -0.604 0.748 1.00 0.00 C ATOM 102 NZ LYS A 6 20.271 -1.206 -0.581 1.00 0.00 N ATOM 0 H LYS A 6 18.541 -1.433 5.031 1.00 0.00 H new ATOM 0 HA LYS A 6 20.717 0.417 5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.962 -0.008 3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 6 20.361 1.044 3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 6 21.882 -0.717 3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.806 -1.843 3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.069 -2.498 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.414 -1.998 1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.869 0.219 0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.565 -0.182 0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.361 -0.478 -1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.946 -1.975 -0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.303 -1.586 -0.587 1.00 0.00 H new ATOM 116 N LEU A 7 19.409 2.620 5.559 1.00 0.00 N ATOM 117 CA LEU A 7 18.681 3.881 5.739 1.00 0.00 C ATOM 118 C LEU A 7 18.082 4.379 4.407 1.00 0.00 C ATOM 119 O LEU A 7 18.803 4.532 3.418 1.00 0.00 O ATOM 120 CB LEU A 7 19.644 4.933 6.322 1.00 0.00 C ATOM 121 CG LEU A 7 18.902 6.194 6.817 1.00 0.00 C ATOM 122 CD1 LEU A 7 18.508 6.066 8.288 1.00 0.00 C ATOM 123 CD2 LEU A 7 19.769 7.434 6.644 1.00 0.00 C ATOM 0 H LEU A 7 20.418 2.750 5.491 1.00 0.00 H new ATOM 0 HA LEU A 7 17.851 3.716 6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.201 4.494 7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.372 5.217 5.562 1.00 0.00 H new ATOM 0 HG LEU A 7 17.999 6.292 6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.988 6.970 8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.851 5.206 8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 7 19.404 5.931 8.894 1.00 0.00 H new ATOM 0 HD21 LEU A 7 19.226 8.310 6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 7 20.688 7.319 7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.014 7.562 5.590 1.00 0.00 H new ATOM 135 N LYS A 8 16.777 4.679 4.397 1.00 0.00 N ATOM 136 CA LYS A 8 16.061 5.337 3.287 1.00 0.00 C ATOM 137 C LYS A 8 14.914 6.234 3.791 1.00 0.00 C ATOM 138 O LYS A 8 13.811 5.769 4.070 1.00 0.00 O ATOM 139 CB LYS A 8 15.596 4.259 2.286 1.00 0.00 C ATOM 140 CG LYS A 8 14.835 4.802 1.063 1.00 0.00 C ATOM 141 CD LYS A 8 15.668 5.740 0.180 1.00 0.00 C ATOM 142 CE LYS A 8 14.829 6.160 -1.032 1.00 0.00 C ATOM 143 NZ LYS A 8 15.578 7.070 -1.937 1.00 0.00 N ATOM 0 H LYS A 8 16.167 4.465 5.186 1.00 0.00 H new ATOM 0 HA LYS A 8 16.737 6.016 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.468 3.706 1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.956 3.549 2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.490 3.962 0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.948 5.334 1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.975 6.618 0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.579 5.239 -0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.520 5.273 -1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.920 6.655 -0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.976 7.330 -2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.851 7.929 -1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.432 6.589 -2.284 1.00 0.00 H new ATOM 157 N LYS A 9 15.176 7.538 3.918 1.00 0.00 N ATOM 158 CA LYS A 9 14.181 8.578 4.254 1.00 0.00 C ATOM 159 C LYS A 9 13.728 9.338 3.001 1.00 0.00 C ATOM 160 O LYS A 9 14.502 9.496 2.054 1.00 0.00 O ATOM 161 CB LYS A 9 14.783 9.538 5.299 1.00 0.00 C ATOM 162 CG LYS A 9 15.179 8.847 6.619 1.00 0.00 C ATOM 163 CD LYS A 9 13.965 8.403 7.453 1.00 0.00 C ATOM 164 CE LYS A 9 14.417 7.536 8.636 1.00 0.00 C ATOM 165 NZ LYS A 9 14.066 6.099 8.452 1.00 0.00 N ATOM 0 H LYS A 9 16.114 7.918 3.787 1.00 0.00 H new ATOM 0 HA LYS A 9 13.296 8.101 4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.663 10.019 4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 9 14.061 10.326 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.797 7.977 6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.790 9.529 7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.428 9.278 7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.271 7.842 6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.496 7.631 8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.956 7.906 9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.479 5.539 9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.032 5.990 8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.442 5.764 7.542 1.00 0.00 H new ATOM 179 N SER A 10 12.482 9.811 2.988 1.00 0.00 N ATOM 180 CA SER A 10 11.879 10.651 1.934 1.00 0.00 C ATOM 181 C SER A 10 10.707 11.479 2.487 1.00 0.00 C ATOM 182 O SER A 10 10.232 11.229 3.596 1.00 0.00 O ATOM 183 CB SER A 10 11.389 9.766 0.774 1.00 0.00 C ATOM 184 OG SER A 10 12.480 9.277 0.009 1.00 0.00 O ATOM 0 H SER A 10 11.828 9.614 3.745 1.00 0.00 H new ATOM 0 HA SER A 10 12.643 11.339 1.571 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.814 8.929 1.169 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.719 10.339 0.133 1.00 0.00 H new ATOM 0 HG SER A 10 13.310 9.382 0.519 1.00 0.00 H new ATOM 190 N THR A 11 10.202 12.452 1.717 1.00 0.00 N ATOM 191 CA THR A 11 9.012 13.247 2.081 1.00 0.00 C ATOM 192 C THR A 11 8.139 13.515 0.853 1.00 0.00 C ATOM 193 O THR A 11 8.518 14.311 -0.006 1.00 0.00 O ATOM 194 CB THR A 11 9.370 14.579 2.767 1.00 0.00 C ATOM 195 OG1 THR A 11 10.349 14.427 3.775 1.00 0.00 O ATOM 196 CG2 THR A 11 8.129 15.143 3.455 1.00 0.00 C ATOM 0 H THR A 11 10.607 12.714 0.818 1.00 0.00 H new ATOM 0 HA THR A 11 8.454 12.649 2.801 1.00 0.00 H new ATOM 0 HB THR A 11 9.753 15.235 1.985 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.542 15.299 4.178 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.379 16.086 3.941 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.348 15.313 2.714 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.773 14.433 4.201 1.00 0.00 H new ATOM 204 N ASN A 12 7.000 12.822 0.730 1.00 0.00 N ATOM 205 CA ASN A 12 6.143 12.817 -0.472 1.00 0.00 C ATOM 206 C ASN A 12 4.776 12.124 -0.257 1.00 0.00 C ATOM 207 O ASN A 12 4.559 11.479 0.766 1.00 0.00 O ATOM 208 CB ASN A 12 6.918 12.159 -1.639 1.00 0.00 C ATOM 209 CG ASN A 12 7.542 10.805 -1.334 1.00 0.00 C ATOM 210 OD1 ASN A 12 8.652 10.506 -1.745 1.00 0.00 O ATOM 211 ND2 ASN A 12 6.872 9.927 -0.627 1.00 0.00 N ATOM 0 H ASN A 12 6.636 12.233 1.479 1.00 0.00 H new ATOM 0 HA ASN A 12 5.907 13.854 -0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.238 12.044 -2.483 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.708 12.840 -1.956 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.280 9.013 -0.429 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.943 10.158 -0.275 1.00 0.00 H new ATOM 218 N LYS A 13 3.884 12.225 -1.252 1.00 0.00 N ATOM 219 CA LYS A 13 2.614 11.480 -1.425 1.00 0.00 C ATOM 220 C LYS A 13 2.779 9.954 -1.537 1.00 0.00 C ATOM 221 O LYS A 13 3.893 9.436 -1.640 1.00 0.00 O ATOM 222 CB LYS A 13 1.850 12.038 -2.649 1.00 0.00 C ATOM 223 CG LYS A 13 2.688 12.360 -3.897 1.00 0.00 C ATOM 224 CD LYS A 13 2.889 13.877 -4.047 1.00 0.00 C ATOM 225 CE LYS A 13 3.998 14.251 -5.045 1.00 0.00 C ATOM 226 NZ LYS A 13 3.750 13.739 -6.421 1.00 0.00 N ATOM 0 H LYS A 13 4.037 12.878 -2.020 1.00 0.00 H new ATOM 0 HA LYS A 13 2.040 11.637 -0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.084 11.315 -2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.333 12.947 -2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.657 11.866 -3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.193 11.965 -4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.952 14.330 -4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.129 14.302 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.094 15.336 -5.081 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.949 13.858 -4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.532 14.025 -7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.686 12.701 -6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.858 14.133 -6.783 1.00 0.00 H new ATOM 240 N PHE A 14 1.657 9.238 -1.574 1.00 0.00 N ATOM 241 CA PHE A 14 1.546 7.779 -1.710 1.00 0.00 C ATOM 242 C PHE A 14 0.330 7.378 -2.563 1.00 0.00 C ATOM 243 O PHE A 14 -0.724 8.018 -2.525 1.00 0.00 O ATOM 244 CB PHE A 14 1.489 7.130 -0.313 1.00 0.00 C ATOM 245 CG PHE A 14 0.537 7.795 0.670 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.849 7.543 0.615 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.040 8.693 1.631 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.728 8.223 1.479 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.161 9.357 2.504 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.224 9.153 2.406 1.00 0.00 C ATOM 0 H PHE A 14 0.742 9.684 -1.506 1.00 0.00 H new ATOM 0 HA PHE A 14 2.430 7.413 -2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.198 6.086 -0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.491 7.137 0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.238 6.826 -0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.103 8.872 1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.790 8.031 1.430 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.553 10.028 3.254 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.900 9.708 3.040 1.00 0.00 H new ATOM 260 N CYS A 15 0.472 6.318 -3.362 1.00 0.00 N ATOM 261 CA CYS A 15 -0.595 5.754 -4.192 1.00 0.00 C ATOM 262 C CYS A 15 -1.166 4.476 -3.564 1.00 0.00 C ATOM 263 O CYS A 15 -0.431 3.631 -3.042 1.00 0.00 O ATOM 264 CB CYS A 15 -0.080 5.489 -5.613 1.00 0.00 C ATOM 265 SG CYS A 15 -1.391 5.056 -6.796 1.00 0.00 S ATOM 0 H CYS A 15 1.355 5.815 -3.452 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.405 6.481 -4.250 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.443 6.376 -5.972 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.650 4.680 -5.581 1.00 0.00 H new ATOM 270 N VAL A 16 -2.486 4.324 -3.649 1.00 0.00 N ATOM 271 CA VAL A 16 -3.276 3.233 -3.035 1.00 0.00 C ATOM 272 C VAL A 16 -4.498 2.859 -3.897 1.00 0.00 C ATOM 273 O VAL A 16 -4.736 3.485 -4.930 1.00 0.00 O ATOM 274 CB VAL A 16 -3.731 3.617 -1.607 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.606 3.678 -0.579 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.468 4.955 -1.561 1.00 0.00 C ATOM 0 H VAL A 16 -3.069 4.981 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.626 2.360 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.403 2.801 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.016 3.954 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.126 2.702 -0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.871 4.422 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.763 5.173 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.811 5.745 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.356 4.903 -2.191 1.00 0.00 H new ATOM 286 N THR A 17 -5.307 1.884 -3.462 1.00 0.00 N ATOM 287 CA THR A 17 -6.570 1.474 -4.122 1.00 0.00 C ATOM 288 C THR A 17 -7.754 1.513 -3.148 1.00 0.00 C ATOM 289 O THR A 17 -7.747 0.780 -2.159 1.00 0.00 O ATOM 290 CB THR A 17 -6.456 0.057 -4.713 1.00 0.00 C ATOM 291 OG1 THR A 17 -5.234 -0.118 -5.396 1.00 0.00 O ATOM 292 CG2 THR A 17 -7.562 -0.255 -5.711 1.00 0.00 C ATOM 0 H THR A 17 -5.104 1.341 -2.623 1.00 0.00 H new ATOM 0 HA THR A 17 -6.748 2.188 -4.926 1.00 0.00 H new ATOM 0 HB THR A 17 -6.530 -0.613 -3.856 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.189 -1.027 -5.759 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.431 -1.267 -6.095 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.530 -0.177 -5.217 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.518 0.455 -6.537 1.00 0.00 H new ATOM 300 N CYS A 18 -8.770 2.353 -3.405 1.00 0.00 N ATOM 301 CA CYS A 18 -10.019 2.378 -2.634 1.00 0.00 C ATOM 302 C CYS A 18 -11.026 1.356 -3.164 1.00 0.00 C ATOM 303 O CYS A 18 -11.321 1.305 -4.357 1.00 0.00 O ATOM 304 CB CYS A 18 -10.655 3.777 -2.607 1.00 0.00 C ATOM 305 SG CYS A 18 -10.185 4.789 -1.185 1.00 0.00 S ATOM 0 H CYS A 18 -8.745 3.038 -4.160 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.754 2.109 -1.612 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.379 4.305 -3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.740 3.669 -2.617 1.00 0.00 H new ATOM 310 N GLU A 19 -11.595 0.575 -2.250 1.00 0.00 N ATOM 311 CA GLU A 19 -12.655 -0.397 -2.501 1.00 0.00 C ATOM 312 C GLU A 19 -13.718 -0.250 -1.404 1.00 0.00 C ATOM 313 O GLU A 19 -13.433 -0.451 -0.225 1.00 0.00 O ATOM 314 CB GLU A 19 -12.061 -1.815 -2.551 1.00 0.00 C ATOM 315 CG GLU A 19 -13.074 -2.817 -3.119 1.00 0.00 C ATOM 316 CD GLU A 19 -12.592 -4.272 -2.952 1.00 0.00 C ATOM 317 OE1 GLU A 19 -11.810 -4.764 -3.800 1.00 0.00 O ATOM 318 OE2 GLU A 19 -13.019 -4.942 -1.980 1.00 0.00 O ATOM 0 H GLU A 19 -11.317 0.604 -1.269 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.129 -0.216 -3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.161 -1.814 -3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.762 -2.123 -1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.032 -2.691 -2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.240 -2.608 -4.176 1.00 0.00 H new ATOM 325 N ASN A 20 -14.937 0.147 -1.788 1.00 0.00 N ATOM 326 CA ASN A 20 -16.026 0.516 -0.869 1.00 0.00 C ATOM 327 C ASN A 20 -15.618 1.651 0.106 1.00 0.00 C ATOM 328 O ASN A 20 -15.743 1.540 1.327 1.00 0.00 O ATOM 329 CB ASN A 20 -16.617 -0.740 -0.187 1.00 0.00 C ATOM 330 CG ASN A 20 -17.405 -1.638 -1.127 1.00 0.00 C ATOM 331 OD1 ASN A 20 -18.622 -1.722 -1.062 1.00 0.00 O ATOM 332 ND2 ASN A 20 -16.755 -2.335 -2.033 1.00 0.00 N ATOM 0 H ASN A 20 -15.202 0.223 -2.770 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.839 0.949 -1.452 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.805 -1.317 0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -17.267 -0.426 0.630 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -17.267 -2.940 -2.675 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.739 -2.270 -2.094 1.00 0.00 H new ATOM 339 N GLN A 21 -15.172 2.777 -0.468 1.00 0.00 N ATOM 340 CA GLN A 21 -14.917 4.077 0.181 1.00 0.00 C ATOM 341 C GLN A 21 -13.771 4.075 1.212 1.00 0.00 C ATOM 342 O GLN A 21 -13.747 4.903 2.127 1.00 0.00 O ATOM 343 CB GLN A 21 -16.214 4.672 0.768 1.00 0.00 C ATOM 344 CG GLN A 21 -17.384 4.744 -0.222 1.00 0.00 C ATOM 345 CD GLN A 21 -18.396 3.621 -0.034 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.980 3.419 1.023 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.677 2.866 -1.068 1.00 0.00 N ATOM 0 H GLN A 21 -14.965 2.809 -1.466 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.563 4.729 -0.618 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.517 4.074 1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -16.004 5.676 1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.889 5.703 -0.109 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.994 4.707 -1.239 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -18.200 3.020 -1.956 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -19.372 2.125 -0.984 1.00 0.00 H new ATOM 356 N ALA A 22 -12.820 3.148 1.083 1.00 0.00 N ATOM 357 CA ALA A 22 -11.724 2.961 2.014 1.00 0.00 C ATOM 358 C ALA A 22 -10.542 2.284 1.291 1.00 0.00 C ATOM 359 O ALA A 22 -10.747 1.308 0.559 1.00 0.00 O ATOM 360 CB ALA A 22 -12.241 2.122 3.187 1.00 0.00 C ATOM 0 H ALA A 22 -12.797 2.492 0.303 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.361 3.914 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.436 1.965 3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.064 2.645 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.591 1.158 2.818 1.00 0.00 H new ATOM 366 N PRO A 23 -9.316 2.810 1.428 1.00 0.00 N ATOM 367 CA PRO A 23 -8.125 2.278 0.780 1.00 0.00 C ATOM 368 C PRO A 23 -7.612 1.010 1.471 1.00 0.00 C ATOM 369 O PRO A 23 -6.985 1.068 2.527 1.00 0.00 O ATOM 370 CB PRO A 23 -7.136 3.436 0.777 1.00 0.00 C ATOM 371 CG PRO A 23 -7.489 4.194 2.051 1.00 0.00 C ATOM 372 CD PRO A 23 -9.003 4.054 2.112 1.00 0.00 C ATOM 0 HA PRO A 23 -8.315 1.938 -0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.104 3.085 0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.250 4.061 -0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.006 3.761 2.927 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.180 5.238 2.000 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.352 4.031 3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.493 4.899 1.629 1.00 0.00 H new ATOM 380 N VAL A 24 -7.887 -0.156 0.882 1.00 0.00 N ATOM 381 CA VAL A 24 -7.483 -1.456 1.430 1.00 0.00 C ATOM 382 C VAL A 24 -6.111 -1.904 0.923 1.00 0.00 C ATOM 383 O VAL A 24 -5.584 -2.852 1.477 1.00 0.00 O ATOM 384 CB VAL A 24 -8.559 -2.548 1.194 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.932 -2.110 1.723 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.756 -2.908 -0.282 1.00 0.00 C ATOM 0 H VAL A 24 -8.401 -0.227 0.004 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.392 -1.316 2.507 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.180 -3.417 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.661 -2.900 1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.865 -1.918 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.246 -1.201 1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.523 -3.677 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.067 -2.021 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.818 -3.282 -0.694 1.00 0.00 H new ATOM 396 N HIS A 25 -5.502 -1.246 -0.079 1.00 0.00 N ATOM 397 CA HIS A 25 -4.370 -1.785 -0.865 1.00 0.00 C ATOM 398 C HIS A 25 -3.317 -0.710 -1.117 1.00 0.00 C ATOM 399 O HIS A 25 -3.664 0.389 -1.552 1.00 0.00 O ATOM 400 CB HIS A 25 -4.894 -2.301 -2.222 1.00 0.00 C ATOM 401 CG HIS A 25 -4.084 -3.391 -2.893 1.00 0.00 C ATOM 402 ND1 HIS A 25 -2.802 -3.283 -3.410 1.00 0.00 N ATOM 403 CD2 HIS A 25 -4.551 -4.639 -3.197 1.00 0.00 C ATOM 404 CE1 HIS A 25 -2.494 -4.456 -3.997 1.00 0.00 C ATOM 405 NE2 HIS A 25 -3.542 -5.298 -3.879 1.00 0.00 N ATOM 0 H HIS A 25 -5.784 -0.311 -0.373 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.913 -2.596 -0.298 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.909 -2.672 -2.076 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.959 -1.455 -2.906 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -2.199 -2.462 -3.356 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.525 -5.037 -2.951 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.558 -4.686 -4.484 1.00 0.00 H new ATOM 414 N PHE A 26 -2.038 -1.017 -0.905 1.00 0.00 N ATOM 415 CA PHE A 26 -0.931 -0.128 -1.284 1.00 0.00 C ATOM 416 C PHE A 26 -0.585 -0.316 -2.772 1.00 0.00 C ATOM 417 O PHE A 26 -0.691 -1.431 -3.288 1.00 0.00 O ATOM 418 CB PHE A 26 0.270 -0.408 -0.356 1.00 0.00 C ATOM 419 CG PHE A 26 1.468 0.525 -0.483 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.295 1.925 -0.509 1.00 0.00 C ATOM 421 CD2 PHE A 26 2.776 -0.004 -0.520 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.407 2.775 -0.637 1.00 0.00 C ATOM 423 CE2 PHE A 26 3.886 0.848 -0.653 1.00 0.00 C ATOM 424 CZ PHE A 26 3.701 2.238 -0.726 1.00 0.00 C ATOM 0 H PHE A 26 -1.736 -1.887 -0.466 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.218 0.916 -1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.082 -0.371 0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.612 -1.427 -0.540 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.303 2.346 -0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.925 -1.071 -0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.265 3.845 -0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.882 0.433 -0.699 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.552 2.892 -0.850 1.00 0.00 H new ATOM 434 N VAL A 27 -0.196 0.755 -3.469 1.00 0.00 N ATOM 435 CA VAL A 27 0.256 0.702 -4.879 1.00 0.00 C ATOM 436 C VAL A 27 1.722 1.125 -5.019 1.00 0.00 C ATOM 437 O VAL A 27 2.508 0.405 -5.638 1.00 0.00 O ATOM 438 CB VAL A 27 -0.647 1.549 -5.800 1.00 0.00 C ATOM 439 CG1 VAL A 27 -0.166 1.548 -7.257 1.00 0.00 C ATOM 440 CG2 VAL A 27 -2.093 1.055 -5.811 1.00 0.00 C ATOM 0 H VAL A 27 -0.183 1.696 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 27 0.176 -0.337 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.592 2.555 -5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.836 2.159 -7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.843 1.958 -7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.162 0.527 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.687 1.684 -6.474 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.123 0.025 -6.165 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.502 1.104 -4.802 1.00 0.00 H new ATOM 450 N GLY A 28 2.101 2.285 -4.476 1.00 0.00 N ATOM 451 CA GLY A 28 3.451 2.839 -4.609 1.00 0.00 C ATOM 452 C GLY A 28 3.629 4.164 -3.868 1.00 0.00 C ATOM 453 O GLY A 28 2.716 4.642 -3.195 1.00 0.00 O ATOM 0 H GLY A 28 1.473 2.872 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.173 2.117 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.674 2.987 -5.666 1.00 0.00 H new ATOM 457 N VAL A 29 4.811 4.767 -3.983 1.00 0.00 N ATOM 458 CA VAL A 29 5.203 5.982 -3.249 1.00 0.00 C ATOM 459 C VAL A 29 5.653 7.095 -4.204 1.00 0.00 C ATOM 460 O VAL A 29 6.395 6.846 -5.154 1.00 0.00 O ATOM 461 CB VAL A 29 6.250 5.625 -2.176 1.00 0.00 C ATOM 462 CG1 VAL A 29 7.623 5.222 -2.726 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.441 6.784 -1.210 1.00 0.00 C ATOM 0 H VAL A 29 5.544 4.421 -4.602 1.00 0.00 H new ATOM 0 HA VAL A 29 4.336 6.388 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 29 5.840 4.749 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.293 4.989 -1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.516 4.345 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.038 6.045 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.184 6.514 -0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.782 7.662 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.494 7.008 -0.719 1.00 0.00 H new ATOM 473 N GLY A 30 5.157 8.322 -3.994 1.00 0.00 N ATOM 474 CA GLY A 30 5.440 9.494 -4.841 1.00 0.00 C ATOM 475 C GLY A 30 4.799 9.474 -6.241 1.00 0.00 C ATOM 476 O GLY A 30 4.889 10.463 -6.970 1.00 0.00 O ATOM 0 H GLY A 30 4.534 8.534 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.100 10.388 -4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.520 9.584 -4.957 1.00 0.00 H new ATOM 480 N SER A 31 4.166 8.359 -6.616 1.00 0.00 N ATOM 481 CA SER A 31 3.675 7.964 -7.942 1.00 0.00 C ATOM 482 C SER A 31 2.873 6.653 -7.816 1.00 0.00 C ATOM 483 O SER A 31 2.911 6.000 -6.768 1.00 0.00 O ATOM 484 CB SER A 31 4.863 7.764 -8.895 1.00 0.00 C ATOM 485 OG SER A 31 4.405 7.623 -10.230 1.00 0.00 O ATOM 0 H SER A 31 3.963 7.634 -5.927 1.00 0.00 H new ATOM 0 HA SER A 31 3.029 8.746 -8.342 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.542 8.614 -8.824 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.428 6.879 -8.602 1.00 0.00 H new ATOM 0 HG SER A 31 5.172 7.498 -10.827 1.00 0.00 H new ATOM 491 N CYS A 32 2.158 6.246 -8.866 1.00 0.00 N ATOM 492 CA CYS A 32 1.457 4.968 -8.974 1.00 0.00 C ATOM 493 C CYS A 32 2.235 3.996 -9.879 1.00 0.00 C ATOM 494 O CYS A 32 2.653 4.340 -10.988 1.00 0.00 O ATOM 495 CB CYS A 32 0.044 5.211 -9.515 1.00 0.00 C ATOM 496 SG CYS A 32 -1.043 6.199 -8.450 1.00 0.00 S ATOM 0 H CYS A 32 2.048 6.824 -9.699 1.00 0.00 H new ATOM 0 HA CYS A 32 1.385 4.511 -7.987 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.125 5.708 -10.482 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.430 4.245 -9.691 1.00 0.00 H new ATOM 501 N GLY A 33 2.409 2.763 -9.402 1.00 0.00 N ATOM 502 CA GLY A 33 3.117 1.668 -10.076 1.00 0.00 C ATOM 503 C GLY A 33 2.316 1.056 -11.230 1.00 0.00 C ATOM 504 O GLY A 33 1.614 0.059 -11.044 1.00 0.00 O ATOM 0 H GLY A 33 2.043 2.485 -8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.068 2.039 -10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.347 0.890 -9.348 1.00 0.00 H new ATOM 508 N SER A 34 2.408 1.659 -12.420 1.00 0.00 N ATOM 509 CA SER A 34 1.761 1.189 -13.657 1.00 0.00 C ATOM 510 C SER A 34 2.247 -0.209 -14.099 1.00 0.00 C ATOM 511 O SER A 34 3.274 -0.711 -13.632 1.00 0.00 O ATOM 512 CB SER A 34 1.998 2.218 -14.773 1.00 0.00 C ATOM 513 OG SER A 34 1.102 2.013 -15.855 1.00 0.00 O ATOM 0 H SER A 34 2.950 2.512 -12.557 1.00 0.00 H new ATOM 0 HA SER A 34 0.695 1.091 -13.454 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.870 3.225 -14.377 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.026 2.144 -15.129 1.00 0.00 H new ATOM 0 HG SER A 34 1.272 2.681 -16.551 1.00 0.00 H new ATOM 519 N GLY A 35 1.508 -0.857 -15.003 1.00 0.00 N ATOM 520 CA GLY A 35 1.785 -2.193 -15.553 1.00 0.00 C ATOM 521 C GLY A 35 1.431 -3.363 -14.619 1.00 0.00 C ATOM 522 O GLY A 35 0.849 -4.352 -15.069 1.00 0.00 O ATOM 0 H GLY A 35 0.659 -0.447 -15.392 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.230 -2.309 -16.484 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.844 -2.255 -15.804 1.00 0.00 H new ATOM 526 N GLY A 36 1.756 -3.252 -13.326 1.00 0.00 N ATOM 527 CA GLY A 36 1.472 -4.245 -12.281 1.00 0.00 C ATOM 528 C GLY A 36 2.690 -5.113 -11.943 1.00 0.00 C ATOM 529 O GLY A 36 2.886 -6.178 -12.535 1.00 0.00 O ATOM 0 H GLY A 36 2.245 -2.434 -12.963 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.135 -3.732 -11.380 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.653 -4.886 -12.608 1.00 0.00 H new ATOM 533 N SER A 37 3.516 -4.655 -10.997 1.00 0.00 N ATOM 534 CA SER A 37 4.739 -5.331 -10.527 1.00 0.00 C ATOM 535 C SER A 37 4.476 -6.756 -10.009 1.00 0.00 C ATOM 536 O SER A 37 3.551 -6.984 -9.226 1.00 0.00 O ATOM 537 CB SER A 37 5.397 -4.503 -9.414 1.00 0.00 C ATOM 538 OG SER A 37 5.671 -3.186 -9.871 1.00 0.00 O ATOM 0 H SER A 37 3.349 -3.771 -10.517 1.00 0.00 H new ATOM 0 HA SER A 37 5.402 -5.414 -11.388 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.740 -4.464 -8.545 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.322 -4.983 -9.093 1.00 0.00 H new ATOM 0 HG SER A 37 6.089 -2.670 -9.150 1.00 0.00 H new ATOM 544 N GLY A 38 5.317 -7.718 -10.406 1.00 0.00 N ATOM 545 CA GLY A 38 5.185 -9.159 -10.119 1.00 0.00 C ATOM 546 C GLY A 38 5.599 -9.598 -8.705 1.00 0.00 C ATOM 547 O GLY A 38 6.182 -10.671 -8.534 1.00 0.00 O ATOM 0 H GLY A 38 6.147 -7.508 -10.961 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.147 -9.449 -10.280 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.786 -9.711 -10.841 1.00 0.00 H new ATOM 551 N ILE A 39 5.337 -8.768 -7.694 1.00 0.00 N ATOM 552 CA ILE A 39 5.667 -9.004 -6.279 1.00 0.00 C ATOM 553 C ILE A 39 4.791 -10.138 -5.717 1.00 0.00 C ATOM 554 O ILE A 39 3.594 -10.222 -6.007 1.00 0.00 O ATOM 555 CB ILE A 39 5.493 -7.701 -5.458 1.00 0.00 C ATOM 556 CG1 ILE A 39 6.349 -6.548 -6.046 1.00 0.00 C ATOM 557 CG2 ILE A 39 5.861 -7.922 -3.976 1.00 0.00 C ATOM 558 CD1 ILE A 39 6.018 -5.163 -5.474 1.00 0.00 C ATOM 0 H ILE A 39 4.869 -7.874 -7.840 1.00 0.00 H new ATOM 0 HA ILE A 39 6.711 -9.309 -6.202 1.00 0.00 H new ATOM 0 HB ILE A 39 4.442 -7.420 -5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.402 -6.762 -5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.212 -6.524 -7.127 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.729 -6.991 -3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.214 -8.689 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.900 -8.242 -3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.661 -4.415 -5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.975 -4.924 -5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.183 -5.165 -4.397 1.00 0.00 H new ATOM 570 N PHE A 40 5.393 -10.994 -4.889 1.00 0.00 N ATOM 571 CA PHE A 40 4.763 -12.178 -4.283 1.00 0.00 C ATOM 572 C PHE A 40 5.069 -12.360 -2.780 1.00 0.00 C ATOM 573 O PHE A 40 4.552 -13.286 -2.150 1.00 0.00 O ATOM 574 CB PHE A 40 5.170 -13.417 -5.098 1.00 0.00 C ATOM 575 CG PHE A 40 6.634 -13.812 -4.968 1.00 0.00 C ATOM 576 CD1 PHE A 40 7.600 -13.252 -5.826 1.00 0.00 C ATOM 577 CD2 PHE A 40 7.032 -14.734 -3.980 1.00 0.00 C ATOM 578 CE1 PHE A 40 8.956 -13.605 -5.690 1.00 0.00 C ATOM 579 CE2 PHE A 40 8.386 -15.086 -3.844 1.00 0.00 C ATOM 580 CZ PHE A 40 9.349 -14.520 -4.697 1.00 0.00 C ATOM 0 H PHE A 40 6.367 -10.881 -4.609 1.00 0.00 H new ATOM 0 HA PHE A 40 3.683 -12.034 -4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.552 -14.259 -4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.950 -13.232 -6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.300 -12.550 -6.590 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.294 -15.172 -3.325 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.695 -13.173 -6.349 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.686 -15.792 -3.084 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.390 -14.788 -4.590 1.00 0.00 H new ATOM 590 N LEU A 41 5.894 -11.483 -2.191 1.00 0.00 N ATOM 591 CA LEU A 41 6.334 -11.542 -0.790 1.00 0.00 C ATOM 592 C LEU A 41 5.198 -11.228 0.207 1.00 0.00 C ATOM 593 O LEU A 41 5.263 -11.633 1.369 1.00 0.00 O ATOM 594 CB LEU A 41 7.517 -10.569 -0.580 1.00 0.00 C ATOM 595 CG LEU A 41 8.893 -10.969 -1.160 1.00 0.00 C ATOM 596 CD1 LEU A 41 9.394 -12.303 -0.603 1.00 0.00 C ATOM 597 CD2 LEU A 41 8.942 -11.029 -2.689 1.00 0.00 C ATOM 0 H LEU A 41 6.286 -10.687 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 41 6.651 -12.565 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.239 -9.607 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.638 -10.416 0.492 1.00 0.00 H new ATOM 0 HG LEU A 41 9.550 -10.161 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.364 -12.539 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.493 -12.231 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.682 -13.091 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.943 -11.317 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.221 -11.763 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.697 -10.049 -3.100 1.00 0.00 H new ATOM 609 N GLU A 42 4.144 -10.548 -0.250 1.00 0.00 N ATOM 610 CA GLU A 42 2.900 -10.266 0.477 1.00 0.00 C ATOM 611 C GLU A 42 1.665 -10.405 -0.429 1.00 0.00 C ATOM 612 O GLU A 42 1.749 -10.314 -1.657 1.00 0.00 O ATOM 613 CB GLU A 42 2.944 -8.838 1.062 1.00 0.00 C ATOM 614 CG GLU A 42 3.438 -8.825 2.508 1.00 0.00 C ATOM 615 CD GLU A 42 3.493 -7.389 3.057 1.00 0.00 C ATOM 616 OE1 GLU A 42 4.536 -6.711 2.893 1.00 0.00 O ATOM 617 OE2 GLU A 42 2.488 -6.935 3.658 1.00 0.00 O ATOM 0 H GLU A 42 4.133 -10.156 -1.192 1.00 0.00 H new ATOM 0 HA GLU A 42 2.817 -10.998 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.598 -8.216 0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.948 -8.397 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.777 -9.430 3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.428 -9.277 2.562 1.00 0.00 H new ATOM 624 N THR A 43 0.494 -10.549 0.200 1.00 0.00 N ATOM 625 CA THR A 43 -0.832 -10.451 -0.451 1.00 0.00 C ATOM 626 C THR A 43 -1.202 -8.994 -0.788 1.00 0.00 C ATOM 627 O THR A 43 -2.044 -8.748 -1.652 1.00 0.00 O ATOM 628 CB THR A 43 -1.897 -11.087 0.468 1.00 0.00 C ATOM 629 OG1 THR A 43 -1.593 -12.453 0.669 1.00 0.00 O ATOM 630 CG2 THR A 43 -3.327 -11.060 -0.077 1.00 0.00 C ATOM 0 H THR A 43 0.432 -10.742 1.200 1.00 0.00 H new ATOM 0 HA THR A 43 -0.792 -10.992 -1.396 1.00 0.00 H new ATOM 0 HB THR A 43 -1.864 -10.485 1.376 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.268 -12.856 1.254 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.999 -11.530 0.641 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.635 -10.027 -0.240 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.367 -11.604 -1.021 1.00 0.00 H new ATOM 638 N SER A 44 -0.560 -8.015 -0.132 1.00 0.00 N ATOM 639 CA SER A 44 -0.798 -6.566 -0.271 1.00 0.00 C ATOM 640 C SER A 44 -2.268 -6.154 -0.045 1.00 0.00 C ATOM 641 O SER A 44 -2.733 -5.162 -0.606 1.00 0.00 O ATOM 642 CB SER A 44 -0.214 -6.077 -1.607 1.00 0.00 C ATOM 643 OG SER A 44 -0.124 -4.663 -1.635 1.00 0.00 O ATOM 0 H SER A 44 0.176 -8.220 0.544 1.00 0.00 H new ATOM 0 HA SER A 44 -0.270 -6.056 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.775 -6.511 -1.756 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.841 -6.421 -2.430 1.00 0.00 H new ATOM 0 HG SER A 44 -0.999 -4.275 -1.426 1.00 0.00 H new ATOM 649 N LEU A 45 -2.983 -6.904 0.807 1.00 0.00 N ATOM 650 CA LEU A 45 -4.393 -6.731 1.185 1.00 0.00 C ATOM 651 C LEU A 45 -5.333 -6.710 -0.044 1.00 0.00 C ATOM 652 O LEU A 45 -5.846 -5.674 -0.471 1.00 0.00 O ATOM 653 CB LEU A 45 -4.529 -5.514 2.118 1.00 0.00 C ATOM 654 CG LEU A 45 -3.879 -5.661 3.509 1.00 0.00 C ATOM 655 CD1 LEU A 45 -2.363 -5.421 3.500 1.00 0.00 C ATOM 656 CD2 LEU A 45 -4.472 -4.622 4.455 1.00 0.00 C ATOM 0 H LEU A 45 -2.562 -7.702 1.283 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.727 -7.601 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.090 -4.648 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.589 -5.300 2.254 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.074 -6.686 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.970 -5.540 4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.884 -6.142 2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.157 -4.411 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.015 -4.723 5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.278 -3.623 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.548 -4.777 4.537 1.00 0.00 H new ATOM 668 N SER A 46 -5.557 -7.906 -0.605 1.00 0.00 N ATOM 669 CA SER A 46 -6.349 -8.160 -1.822 1.00 0.00 C ATOM 670 C SER A 46 -7.602 -9.021 -1.577 1.00 0.00 C ATOM 671 O SER A 46 -8.666 -8.732 -2.130 1.00 0.00 O ATOM 672 CB SER A 46 -5.437 -8.816 -2.868 1.00 0.00 C ATOM 673 OG SER A 46 -6.088 -8.964 -4.118 1.00 0.00 O ATOM 0 H SER A 46 -5.175 -8.764 -0.207 1.00 0.00 H new ATOM 0 HA SER A 46 -6.723 -7.201 -2.179 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.538 -8.212 -2.996 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.116 -9.793 -2.508 1.00 0.00 H new ATOM 0 HG SER A 46 -5.476 -9.383 -4.758 1.00 0.00 H new ATOM 679 N ALA A 47 -7.510 -10.045 -0.718 1.00 0.00 N ATOM 680 CA ALA A 47 -8.610 -10.939 -0.337 1.00 0.00 C ATOM 681 C ALA A 47 -8.608 -11.204 1.180 1.00 0.00 C ATOM 682 O ALA A 47 -7.553 -11.447 1.773 1.00 0.00 O ATOM 683 CB ALA A 47 -8.482 -12.243 -1.141 1.00 0.00 C ATOM 0 H ALA A 47 -6.634 -10.282 -0.252 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.565 -10.468 -0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.293 -12.919 -0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.537 -12.020 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.525 -12.716 -0.918 1.00 0.00 H new ATOM 689 N GLY A 48 -9.783 -11.136 1.817 1.00 0.00 N ATOM 690 CA GLY A 48 -9.963 -11.346 3.263 1.00 0.00 C ATOM 691 C GLY A 48 -9.327 -10.280 4.174 1.00 0.00 C ATOM 692 O GLY A 48 -9.226 -10.498 5.384 1.00 0.00 O ATOM 0 H GLY A 48 -10.656 -10.929 1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.031 -11.389 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.546 -12.318 3.526 1.00 0.00 H new ATOM 696 N SER A 49 -8.884 -9.146 3.620 1.00 0.00 N ATOM 697 CA SER A 49 -8.231 -8.032 4.316 1.00 0.00 C ATOM 698 C SER A 49 -9.176 -6.837 4.492 1.00 0.00 C ATOM 699 O SER A 49 -10.343 -6.881 4.088 1.00 0.00 O ATOM 700 CB SER A 49 -6.992 -7.620 3.522 1.00 0.00 C ATOM 701 OG SER A 49 -7.335 -7.350 2.172 1.00 0.00 O ATOM 0 H SER A 49 -8.977 -8.971 2.619 1.00 0.00 H new ATOM 0 HA SER A 49 -7.946 -8.361 5.315 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.541 -6.736 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.246 -8.414 3.562 1.00 0.00 H new ATOM 0 HG SER A 49 -7.106 -8.123 1.615 1.00 0.00 H new ATOM 707 N ASP A 50 -8.691 -5.756 5.108 1.00 0.00 N ATOM 708 CA ASP A 50 -9.449 -4.521 5.287 1.00 0.00 C ATOM 709 C ASP A 50 -8.528 -3.296 5.411 1.00 0.00 C ATOM 710 O ASP A 50 -7.393 -3.366 5.880 1.00 0.00 O ATOM 711 CB ASP A 50 -10.338 -4.643 6.543 1.00 0.00 C ATOM 712 CG ASP A 50 -11.721 -4.008 6.337 1.00 0.00 C ATOM 713 OD1 ASP A 50 -11.774 -2.822 5.941 1.00 0.00 O ATOM 714 OD2 ASP A 50 -12.748 -4.687 6.581 1.00 0.00 O ATOM 0 H ASP A 50 -7.750 -5.716 5.500 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.070 -4.374 4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.458 -5.695 6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.841 -4.163 7.386 1.00 0.00 H new ATOM 719 N TRP A 51 -9.079 -2.133 5.094 1.00 0.00 N ATOM 720 CA TRP A 51 -8.569 -0.808 5.461 1.00 0.00 C ATOM 721 C TRP A 51 -8.261 -0.710 6.969 1.00 0.00 C ATOM 722 O TRP A 51 -7.268 -0.102 7.377 1.00 0.00 O ATOM 723 CB TRP A 51 -9.600 0.250 5.040 1.00 0.00 C ATOM 724 CG TRP A 51 -9.660 1.463 5.917 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.644 1.724 6.808 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.681 2.533 6.069 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.346 2.889 7.489 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.154 3.438 7.062 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.427 2.815 5.492 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.444 4.589 7.431 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.699 3.962 5.857 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.208 4.856 6.815 1.00 0.00 C ATOM 0 H TRP A 51 -9.938 -2.079 4.546 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.628 -0.634 4.940 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.376 0.568 4.022 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.586 -0.214 5.020 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.524 1.117 6.963 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -10.935 3.293 8.217 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.017 2.139 4.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.840 5.261 8.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.741 4.157 5.398 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.652 5.744 7.077 1.00 0.00 H new ATOM 743 N LEU A 52 -9.090 -1.343 7.805 1.00 0.00 N ATOM 744 CA LEU A 52 -8.966 -1.373 9.266 1.00 0.00 C ATOM 745 C LEU A 52 -7.623 -1.965 9.746 1.00 0.00 C ATOM 746 O LEU A 52 -7.132 -1.580 10.809 1.00 0.00 O ATOM 747 CB LEU A 52 -10.179 -2.144 9.836 1.00 0.00 C ATOM 748 CG LEU A 52 -10.903 -1.509 11.040 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.986 -1.262 12.236 1.00 0.00 C ATOM 750 CD2 LEU A 52 -11.588 -0.189 10.674 1.00 0.00 C ATOM 0 H LEU A 52 -9.897 -1.869 7.470 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.967 -0.350 9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.905 -2.276 9.034 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.843 -3.139 10.128 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.653 -2.246 11.325 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.559 -0.814 13.048 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.562 -2.209 12.571 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.181 -0.587 11.944 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.084 0.220 11.554 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.842 0.521 10.315 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.326 -0.367 9.891 1.00 0.00 H new ATOM 762 N THR A 53 -7.002 -2.848 8.953 1.00 0.00 N ATOM 763 CA THR A 53 -5.668 -3.432 9.189 1.00 0.00 C ATOM 764 C THR A 53 -4.574 -2.882 8.262 1.00 0.00 C ATOM 765 O THR A 53 -3.405 -2.901 8.646 1.00 0.00 O ATOM 766 CB THR A 53 -5.710 -4.964 9.096 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.252 -5.397 7.867 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.555 -5.581 10.213 1.00 0.00 C ATOM 0 H THR A 53 -7.430 -3.191 8.093 1.00 0.00 H new ATOM 0 HA THR A 53 -5.399 -3.132 10.202 1.00 0.00 H new ATOM 0 HB THR A 53 -4.675 -5.292 9.188 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.423 -4.621 7.293 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.558 -6.666 10.110 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.133 -5.310 11.181 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.577 -5.207 10.145 1.00 0.00 H new ATOM 776 N PHE A 54 -4.920 -2.293 7.108 1.00 0.00 N ATOM 777 CA PHE A 54 -4.014 -1.569 6.194 1.00 0.00 C ATOM 778 C PHE A 54 -3.179 -0.504 6.915 1.00 0.00 C ATOM 779 O PHE A 54 -1.980 -0.365 6.671 1.00 0.00 O ATOM 780 CB PHE A 54 -4.853 -0.910 5.087 1.00 0.00 C ATOM 781 CG PHE A 54 -4.107 0.051 4.185 1.00 0.00 C ATOM 782 CD1 PHE A 54 -3.438 -0.421 3.044 1.00 0.00 C ATOM 783 CD2 PHE A 54 -4.095 1.428 4.485 1.00 0.00 C ATOM 784 CE1 PHE A 54 -2.753 0.484 2.217 1.00 0.00 C ATOM 785 CE2 PHE A 54 -3.408 2.329 3.655 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.726 1.853 2.526 1.00 0.00 C ATOM 0 H PHE A 54 -5.882 -2.307 6.768 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.313 -2.290 5.773 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.289 -1.696 4.470 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.680 -0.375 5.553 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.450 -1.474 2.804 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.617 1.792 5.358 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.243 0.124 1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.405 3.384 3.885 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.181 2.539 1.895 1.00 0.00 H new ATOM 796 N GLN A 55 -3.820 0.216 7.839 1.00 0.00 N ATOM 797 CA GLN A 55 -3.184 1.182 8.732 1.00 0.00 C ATOM 798 C GLN A 55 -2.088 0.505 9.563 1.00 0.00 C ATOM 799 O GLN A 55 -0.906 0.786 9.379 1.00 0.00 O ATOM 800 CB GLN A 55 -4.252 1.819 9.631 1.00 0.00 C ATOM 801 CG GLN A 55 -5.230 2.692 8.837 1.00 0.00 C ATOM 802 CD GLN A 55 -6.547 2.826 9.585 1.00 0.00 C ATOM 803 OE1 GLN A 55 -6.731 3.665 10.456 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.495 1.964 9.299 1.00 0.00 N ATOM 0 H GLN A 55 -4.826 0.139 7.989 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.709 1.966 8.143 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.805 1.034 10.148 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.766 2.424 10.397 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.796 3.678 8.672 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.405 2.253 7.855 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.345 1.263 8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.382 1.995 9.802 1.00 0.00 H new ATOM 813 N LYS A 56 -2.463 -0.435 10.442 1.00 0.00 N ATOM 814 CA LYS A 56 -1.500 -1.120 11.341 1.00 0.00 C ATOM 815 C LYS A 56 -0.401 -1.915 10.613 1.00 0.00 C ATOM 816 O LYS A 56 0.667 -2.143 11.187 1.00 0.00 O ATOM 817 CB LYS A 56 -2.220 -2.014 12.364 1.00 0.00 C ATOM 818 CG LYS A 56 -3.137 -1.221 13.314 1.00 0.00 C ATOM 819 CD LYS A 56 -4.614 -1.394 12.950 1.00 0.00 C ATOM 820 CE LYS A 56 -5.490 -0.465 13.795 1.00 0.00 C ATOM 821 NZ LYS A 56 -6.925 -0.784 13.597 1.00 0.00 N ATOM 0 H LYS A 56 -3.428 -0.745 10.556 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.989 -0.312 11.865 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.813 -2.759 11.834 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.478 -2.555 12.951 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.973 -1.553 14.339 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.874 -0.164 13.276 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.761 -1.178 11.892 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.914 -2.430 13.109 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.230 -0.569 14.848 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.301 0.573 13.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.500 0.058 13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.083 -1.077 12.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.200 -1.557 14.236 1.00 0.00 H new ATOM 835 N LYS A 57 -0.632 -2.298 9.351 1.00 0.00 N ATOM 836 CA LYS A 57 0.333 -2.952 8.453 1.00 0.00 C ATOM 837 C LYS A 57 1.556 -2.084 8.125 1.00 0.00 C ATOM 838 O LYS A 57 2.669 -2.600 8.188 1.00 0.00 O ATOM 839 CB LYS A 57 -0.398 -3.413 7.177 1.00 0.00 C ATOM 840 CG LYS A 57 -0.876 -4.874 7.253 1.00 0.00 C ATOM 841 CD LYS A 57 0.166 -5.836 6.654 1.00 0.00 C ATOM 842 CE LYS A 57 -0.359 -7.269 6.482 1.00 0.00 C ATOM 843 NZ LYS A 57 -0.511 -7.982 7.778 1.00 0.00 N ATOM 0 H LYS A 57 -1.538 -2.154 8.906 1.00 0.00 H new ATOM 0 HA LYS A 57 0.739 -3.817 8.978 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.256 -2.764 7.002 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.268 -3.298 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.067 -5.143 8.292 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.820 -4.978 6.718 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.487 -5.455 5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.046 -5.854 7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.322 -7.240 5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.324 -7.828 5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.868 -8.944 7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.412 -8.035 8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.183 -7.466 8.381 1.00 0.00 H new ATOM 857 N HIS A 58 1.394 -0.807 7.742 1.00 0.00 N ATOM 858 CA HIS A 58 2.532 0.043 7.318 1.00 0.00 C ATOM 859 C HIS A 58 2.337 1.564 7.498 1.00 0.00 C ATOM 860 O HIS A 58 3.002 2.365 6.844 1.00 0.00 O ATOM 861 CB HIS A 58 2.900 -0.319 5.868 1.00 0.00 C ATOM 862 CG HIS A 58 1.904 0.206 4.869 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.102 1.324 4.087 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.619 -0.231 4.695 1.00 0.00 C ATOM 865 CE1 HIS A 58 0.939 1.571 3.451 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.025 0.644 3.806 1.00 0.00 N ATOM 0 H HIS A 58 0.490 -0.336 7.715 1.00 0.00 H new ATOM 0 HA HIS A 58 3.356 -0.179 7.996 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.887 0.082 5.637 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.966 -1.403 5.774 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.160 -1.090 5.161 1.00 0.00 H new ATOM 0 HE1 HIS A 58 0.766 2.385 2.763 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.939 0.597 3.475 1.00 0.00 H new ATOM 875 N ILE A 59 1.429 1.995 8.366 1.00 0.00 N ATOM 876 CA ILE A 59 1.131 3.411 8.658 1.00 0.00 C ATOM 877 C ILE A 59 1.184 3.640 10.171 1.00 0.00 C ATOM 878 O ILE A 59 0.858 2.751 10.961 1.00 0.00 O ATOM 879 CB ILE A 59 -0.231 3.845 8.049 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.296 3.444 6.554 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.471 5.357 8.229 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.368 4.143 5.714 1.00 0.00 C ATOM 0 H ILE A 59 0.854 1.352 8.911 1.00 0.00 H new ATOM 0 HA ILE A 59 1.888 4.038 8.187 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.027 3.326 8.584 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.676 3.643 6.103 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.461 2.368 6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.432 5.627 7.792 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.474 5.601 9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.323 5.913 7.731 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.318 3.783 4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.353 3.925 6.127 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.198 5.220 5.730 1.00 0.00 H new ATOM 894 N THR A 60 1.604 4.836 10.585 1.00 0.00 N ATOM 895 CA THR A 60 1.633 5.224 12.006 1.00 0.00 C ATOM 896 C THR A 60 1.304 6.701 12.243 1.00 0.00 C ATOM 897 O THR A 60 1.538 7.556 11.389 1.00 0.00 O ATOM 898 CB THR A 60 2.987 4.842 12.628 1.00 0.00 C ATOM 899 OG1 THR A 60 2.956 5.136 14.005 1.00 0.00 O ATOM 900 CG2 THR A 60 4.188 5.560 12.009 1.00 0.00 C ATOM 0 H THR A 60 1.934 5.565 9.952 1.00 0.00 H new ATOM 0 HA THR A 60 0.839 4.668 12.504 1.00 0.00 H new ATOM 0 HB THR A 60 3.122 3.778 12.434 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.851 5.401 14.303 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.102 5.234 12.505 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.246 5.322 10.947 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.072 6.637 12.134 1.00 0.00 H new ATOM 908 N ASN A 61 0.800 7.008 13.444 1.00 0.00 N ATOM 909 CA ASN A 61 0.642 8.354 13.993 1.00 0.00 C ATOM 910 C ASN A 61 1.918 8.856 14.715 1.00 0.00 C ATOM 911 O ASN A 61 1.926 9.964 15.252 1.00 0.00 O ATOM 912 CB ASN A 61 -0.572 8.331 14.939 1.00 0.00 C ATOM 913 CG ASN A 61 -1.891 8.170 14.196 1.00 0.00 C ATOM 914 OD1 ASN A 61 -2.365 9.070 13.518 1.00 0.00 O ATOM 915 ND2 ASN A 61 -2.540 7.032 14.311 1.00 0.00 N ATOM 0 H ASN A 61 0.476 6.287 14.089 1.00 0.00 H new ATOM 0 HA ASN A 61 0.477 9.060 13.179 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.458 7.513 15.650 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.595 9.255 15.517 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.434 6.904 13.836 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.150 6.277 14.875 1.00 0.00 H new ATOM 922 N THR A 62 2.989 8.052 14.755 1.00 0.00 N ATOM 923 CA THR A 62 4.308 8.379 15.324 1.00 0.00 C ATOM 924 C THR A 62 5.389 7.408 14.821 1.00 0.00 C ATOM 925 O THR A 62 5.386 6.218 15.155 1.00 0.00 O ATOM 926 CB THR A 62 4.259 8.429 16.868 1.00 0.00 C ATOM 927 OG1 THR A 62 5.543 8.720 17.377 1.00 0.00 O ATOM 928 CG2 THR A 62 3.733 7.170 17.569 1.00 0.00 C ATOM 0 H THR A 62 2.960 7.107 14.372 1.00 0.00 H new ATOM 0 HA THR A 62 4.580 9.376 14.977 1.00 0.00 H new ATOM 0 HB THR A 62 3.534 9.213 17.088 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.507 8.752 18.356 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.745 7.323 18.648 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.712 6.971 17.242 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.367 6.321 17.316 1.00 0.00 H new ATOM 936 N ARG A 63 6.317 7.874 13.970 1.00 0.00 N ATOM 937 CA ARG A 63 7.504 7.093 13.575 1.00 0.00 C ATOM 938 C ARG A 63 8.438 6.898 14.778 1.00 0.00 C ATOM 939 O ARG A 63 9.177 7.805 15.160 1.00 0.00 O ATOM 940 CB ARG A 63 8.229 7.736 12.379 1.00 0.00 C ATOM 941 CG ARG A 63 9.456 6.905 11.967 1.00 0.00 C ATOM 942 CD ARG A 63 10.199 7.558 10.804 1.00 0.00 C ATOM 943 NE ARG A 63 10.845 8.831 11.189 1.00 0.00 N ATOM 944 CZ ARG A 63 11.999 9.001 11.814 1.00 0.00 C ATOM 945 NH1 ARG A 63 12.750 8.001 12.179 1.00 0.00 N ATOM 946 NH2 ARG A 63 12.428 10.199 12.084 1.00 0.00 N ATOM 0 H ARG A 63 6.268 8.797 13.538 1.00 0.00 H new ATOM 0 HA ARG A 63 7.174 6.108 13.245 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.543 7.821 11.536 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.541 8.747 12.639 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.129 6.798 12.818 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.140 5.901 11.683 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.956 6.869 10.428 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.500 7.741 9.988 1.00 0.00 H new ATOM 0 HE ARG A 63 10.339 9.682 10.943 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.455 7.044 11.985 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.633 8.175 12.659 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.874 11.012 11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.318 10.325 12.566 1.00 0.00 H new ATOM 960 N ASP A 64 8.428 5.690 15.334 1.00 0.00 N ATOM 961 CA ASP A 64 9.302 5.238 16.429 1.00 0.00 C ATOM 962 C ASP A 64 10.269 4.111 15.994 1.00 0.00 C ATOM 963 O ASP A 64 10.994 3.541 16.813 1.00 0.00 O ATOM 964 CB ASP A 64 8.406 4.832 17.613 1.00 0.00 C ATOM 965 CG ASP A 64 9.181 4.630 18.928 1.00 0.00 C ATOM 966 OD1 ASP A 64 9.915 5.556 19.353 1.00 0.00 O ATOM 967 OD2 ASP A 64 9.011 3.568 19.577 1.00 0.00 O ATOM 0 H ASP A 64 7.784 4.962 15.025 1.00 0.00 H new ATOM 0 HA ASP A 64 9.958 6.054 16.734 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.646 5.598 17.763 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.883 3.909 17.363 1.00 0.00 H new ATOM 972 N VAL A 65 10.285 3.774 14.699 1.00 0.00 N ATOM 973 CA VAL A 65 11.048 2.643 14.147 1.00 0.00 C ATOM 974 C VAL A 65 12.519 3.017 13.917 1.00 0.00 C ATOM 975 O VAL A 65 12.831 4.101 13.424 1.00 0.00 O ATOM 976 CB VAL A 65 10.387 2.132 12.851 1.00 0.00 C ATOM 977 CG1 VAL A 65 11.202 0.992 12.231 1.00 0.00 C ATOM 978 CG2 VAL A 65 8.977 1.599 13.140 1.00 0.00 C ATOM 0 H VAL A 65 9.760 4.287 13.991 1.00 0.00 H new ATOM 0 HA VAL A 65 11.035 1.834 14.878 1.00 0.00 H new ATOM 0 HB VAL A 65 10.341 2.973 12.160 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.714 0.650 11.318 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.205 1.348 11.995 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.268 0.165 12.938 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.526 1.243 12.214 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.038 0.777 13.854 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.365 2.398 13.558 1.00 0.00 H new ATOM 988 N ASP A 66 13.417 2.078 14.235 1.00 0.00 N ATOM 989 CA ASP A 66 14.880 2.180 14.071 1.00 0.00 C ATOM 990 C ASP A 66 15.471 0.997 13.264 1.00 0.00 C ATOM 991 O ASP A 66 16.687 0.843 13.160 1.00 0.00 O ATOM 992 CB ASP A 66 15.511 2.304 15.468 1.00 0.00 C ATOM 993 CG ASP A 66 16.972 2.795 15.445 1.00 0.00 C ATOM 994 OD1 ASP A 66 17.265 3.820 14.783 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.821 2.195 16.150 1.00 0.00 O ATOM 0 H ASP A 66 13.135 1.182 14.633 1.00 0.00 H new ATOM 0 HA ASP A 66 15.115 3.067 13.483 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.915 2.992 16.067 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.471 1.334 15.963 1.00 0.00 H new ATOM 1000 N CYS A 67 14.600 0.153 12.690 1.00 0.00 N ATOM 1001 CA CYS A 67 14.912 -1.053 11.907 1.00 0.00 C ATOM 1002 C CYS A 67 15.848 -2.041 12.643 1.00 0.00 C ATOM 1003 O CYS A 67 16.753 -2.638 12.064 1.00 0.00 O ATOM 1004 CB CYS A 67 15.342 -0.639 10.491 1.00 0.00 C ATOM 1005 SG CYS A 67 14.179 0.535 9.732 1.00 0.00 S ATOM 0 H CYS A 67 13.594 0.304 12.765 1.00 0.00 H new ATOM 0 HA CYS A 67 14.011 -1.656 11.791 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.334 -0.189 10.532 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.420 -1.527 9.863 1.00 0.00 H new ATOM 1010 N ASP A 68 15.595 -2.210 13.947 1.00 0.00 N ATOM 1011 CA ASP A 68 16.290 -3.096 14.893 1.00 0.00 C ATOM 1012 C ASP A 68 15.392 -3.540 16.070 1.00 0.00 C ATOM 1013 O ASP A 68 15.596 -4.628 16.610 1.00 0.00 O ATOM 1014 CB ASP A 68 17.549 -2.394 15.441 1.00 0.00 C ATOM 1015 CG ASP A 68 18.822 -2.752 14.651 1.00 0.00 C ATOM 1016 OD1 ASP A 68 19.127 -3.963 14.535 1.00 0.00 O ATOM 1017 OD2 ASP A 68 19.555 -1.832 14.217 1.00 0.00 O ATOM 0 H ASP A 68 14.843 -1.693 14.403 1.00 0.00 H new ATOM 0 HA ASP A 68 16.567 -3.994 14.341 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.400 -1.315 15.411 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.686 -2.668 16.487 1.00 0.00 H new ATOM 1022 N ASN A 69 14.372 -2.754 16.448 1.00 0.00 N ATOM 1023 CA ASN A 69 13.419 -3.075 17.524 1.00 0.00 C ATOM 1024 C ASN A 69 12.079 -3.642 17.019 1.00 0.00 C ATOM 1025 O ASN A 69 11.255 -4.081 17.820 1.00 0.00 O ATOM 1026 CB ASN A 69 13.217 -1.869 18.451 1.00 0.00 C ATOM 1027 CG ASN A 69 12.523 -0.707 17.778 1.00 0.00 C ATOM 1028 OD1 ASN A 69 11.313 -0.651 17.624 1.00 0.00 O ATOM 1029 ND2 ASN A 69 13.294 0.253 17.338 1.00 0.00 N ATOM 0 H ASN A 69 14.182 -1.856 16.004 1.00 0.00 H new ATOM 0 HA ASN A 69 13.869 -3.883 18.101 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.633 -2.179 19.318 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.187 -1.538 18.822 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.886 1.057 16.862 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.304 0.198 17.471 1.00 0.00 H new ATOM 1036 N ILE A 70 11.866 -3.690 15.696 1.00 0.00 N ATOM 1037 CA ILE A 70 10.630 -4.186 15.058 1.00 0.00 C ATOM 1038 C ILE A 70 10.350 -5.676 15.305 1.00 0.00 C ATOM 1039 O ILE A 70 9.256 -6.158 15.029 1.00 0.00 O ATOM 1040 CB ILE A 70 10.616 -3.847 13.554 1.00 0.00 C ATOM 1041 CG1 ILE A 70 11.687 -4.623 12.750 1.00 0.00 C ATOM 1042 CG2 ILE A 70 10.739 -2.320 13.410 1.00 0.00 C ATOM 1043 CD1 ILE A 70 11.919 -4.078 11.339 1.00 0.00 C ATOM 0 H ILE A 70 12.563 -3.378 15.020 1.00 0.00 H new ATOM 0 HA ILE A 70 9.809 -3.659 15.545 1.00 0.00 H new ATOM 0 HB ILE A 70 9.673 -4.174 13.116 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.629 -4.597 13.298 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.388 -5.669 12.680 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.732 -2.052 12.353 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.900 -1.838 13.912 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.673 -1.986 13.862 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.683 -4.674 10.840 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.990 -4.130 10.772 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.250 -3.041 11.399 1.00 0.00 H new ATOM 1055 N MET A 71 11.305 -6.392 15.904 1.00 0.00 N ATOM 1056 CA MET A 71 11.085 -7.710 16.522 1.00 0.00 C ATOM 1057 C MET A 71 9.967 -7.688 17.593 1.00 0.00 C ATOM 1058 O MET A 71 9.238 -8.668 17.750 1.00 0.00 O ATOM 1059 CB MET A 71 12.425 -8.214 17.084 1.00 0.00 C ATOM 1060 CG MET A 71 12.389 -9.653 17.622 1.00 0.00 C ATOM 1061 SD MET A 71 11.924 -9.853 19.368 1.00 0.00 S ATOM 1062 CE MET A 71 13.415 -9.218 20.188 1.00 0.00 C ATOM 0 H MET A 71 12.270 -6.070 15.976 1.00 0.00 H new ATOM 0 HA MET A 71 10.729 -8.404 15.761 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.180 -8.151 16.300 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.742 -7.547 17.886 1.00 0.00 H new ATOM 0 HG2 MET A 71 11.690 -10.227 17.014 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.374 -10.096 17.478 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.356 -9.419 21.258 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.295 -9.710 19.774 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.490 -8.143 20.025 1.00 0.00 H new ATOM 1072 N SER A 72 9.787 -6.556 18.286 1.00 0.00 N ATOM 1073 CA SER A 72 8.756 -6.336 19.316 1.00 0.00 C ATOM 1074 C SER A 72 7.414 -5.802 18.779 1.00 0.00 C ATOM 1075 O SER A 72 6.438 -5.757 19.533 1.00 0.00 O ATOM 1076 CB SER A 72 9.283 -5.356 20.374 1.00 0.00 C ATOM 1077 OG SER A 72 10.461 -5.860 20.988 1.00 0.00 O ATOM 0 H SER A 72 10.376 -5.736 18.141 1.00 0.00 H new ATOM 0 HA SER A 72 8.554 -7.320 19.738 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.493 -4.392 19.910 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.518 -5.185 21.131 1.00 0.00 H new ATOM 0 HG SER A 72 10.781 -5.219 21.657 1.00 0.00 H new ATOM 1083 N THR A 73 7.329 -5.406 17.502 1.00 0.00 N ATOM 1084 CA THR A 73 6.096 -4.924 16.836 1.00 0.00 C ATOM 1085 C THR A 73 5.538 -5.979 15.868 1.00 0.00 C ATOM 1086 O THR A 73 6.107 -7.062 15.722 1.00 0.00 O ATOM 1087 CB THR A 73 6.322 -3.584 16.112 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.192 -3.747 15.018 1.00 0.00 O ATOM 1089 CG2 THR A 73 6.916 -2.502 17.016 1.00 0.00 C ATOM 0 H THR A 73 8.137 -5.410 16.879 1.00 0.00 H new ATOM 0 HA THR A 73 5.356 -4.754 17.618 1.00 0.00 H new ATOM 0 HB THR A 73 5.333 -3.263 15.786 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.720 -4.564 15.139 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.050 -1.584 16.444 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.241 -2.314 17.851 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.881 -2.836 17.398 1.00 0.00 H new ATOM 1097 N ASN A 74 4.410 -5.705 15.195 1.00 0.00 N ATOM 1098 CA ASN A 74 3.814 -6.650 14.232 1.00 0.00 C ATOM 1099 C ASN A 74 4.684 -6.906 12.976 1.00 0.00 C ATOM 1100 O ASN A 74 4.491 -7.897 12.272 1.00 0.00 O ATOM 1101 CB ASN A 74 2.372 -6.218 13.899 1.00 0.00 C ATOM 1102 CG ASN A 74 2.231 -5.132 12.841 1.00 0.00 C ATOM 1103 OD1 ASN A 74 2.310 -5.385 11.650 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.971 -3.903 13.228 1.00 0.00 N ATOM 0 H ASN A 74 3.889 -4.834 15.299 1.00 0.00 H new ATOM 0 HA ASN A 74 3.775 -7.626 14.715 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.818 -7.096 13.567 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.897 -5.869 14.816 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.837 -3.168 12.534 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.904 -3.685 14.222 1.00 0.00 H new ATOM 1111 N LEU A 75 5.680 -6.050 12.727 1.00 0.00 N ATOM 1112 CA LEU A 75 6.621 -6.081 11.604 1.00 0.00 C ATOM 1113 C LEU A 75 7.788 -7.084 11.766 1.00 0.00 C ATOM 1114 O LEU A 75 8.688 -7.107 10.923 1.00 0.00 O ATOM 1115 CB LEU A 75 7.158 -4.648 11.406 1.00 0.00 C ATOM 1116 CG LEU A 75 6.167 -3.560 10.946 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.242 -4.033 9.833 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.336 -2.941 12.070 1.00 0.00 C ATOM 0 H LEU A 75 5.862 -5.262 13.349 1.00 0.00 H new ATOM 0 HA LEU A 75 6.078 -6.437 10.728 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.597 -4.323 12.349 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.967 -4.692 10.677 1.00 0.00 H new ATOM 0 HG LEU A 75 6.818 -2.777 10.558 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.568 -3.224 9.552 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.835 -4.328 8.968 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.660 -4.886 10.182 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.667 -2.187 11.655 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.748 -3.718 12.558 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.999 -2.476 12.799 1.00 0.00 H new ATOM 1130 N PHE A 76 7.779 -7.933 12.799 1.00 0.00 N ATOM 1131 CA PHE A 76 8.852 -8.858 13.198 1.00 0.00 C ATOM 1132 C PHE A 76 9.180 -9.953 12.176 1.00 0.00 C ATOM 1133 O PHE A 76 10.162 -10.680 12.335 1.00 0.00 O ATOM 1134 CB PHE A 76 8.483 -9.516 14.534 1.00 0.00 C ATOM 1135 CG PHE A 76 7.401 -10.583 14.469 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.039 -10.225 14.446 1.00 0.00 C ATOM 1137 CD2 PHE A 76 7.756 -11.945 14.437 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.042 -11.215 14.392 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.761 -12.938 14.386 1.00 0.00 C ATOM 1140 CZ PHE A 76 5.404 -12.573 14.364 1.00 0.00 C ATOM 0 H PHE A 76 6.972 -7.999 13.420 1.00 0.00 H new ATOM 0 HA PHE A 76 9.751 -8.246 13.278 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.382 -9.962 14.958 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.158 -8.737 15.224 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.758 -9.182 14.470 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.798 -12.229 14.452 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.000 -10.933 14.372 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.040 -13.981 14.364 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.640 -13.335 14.326 1.00 0.00 H new ATOM 1150 N HIS A 77 8.370 -10.067 11.121 1.00 0.00 N ATOM 1151 CA HIS A 77 8.432 -11.108 10.089 1.00 0.00 C ATOM 1152 C HIS A 77 9.754 -11.145 9.282 1.00 0.00 C ATOM 1153 O HIS A 77 9.983 -12.083 8.519 1.00 0.00 O ATOM 1154 CB HIS A 77 7.204 -10.917 9.177 1.00 0.00 C ATOM 1155 CG HIS A 77 6.932 -12.085 8.265 1.00 0.00 C ATOM 1156 ND1 HIS A 77 6.410 -13.305 8.654 1.00 0.00 N ATOM 1157 CD2 HIS A 77 7.168 -12.126 6.919 1.00 0.00 C ATOM 1158 CE1 HIS A 77 6.340 -14.083 7.556 1.00 0.00 C ATOM 1159 NE2 HIS A 77 6.790 -13.388 6.489 1.00 0.00 N ATOM 0 H HIS A 77 7.614 -9.403 10.954 1.00 0.00 H new ATOM 0 HA HIS A 77 8.415 -12.081 10.581 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.326 -10.742 9.799 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.349 -10.022 8.572 1.00 0.00 H new ATOM 0 HD2 HIS A 77 7.570 -11.330 6.310 1.00 0.00 H new ATOM 0 HE1 HIS A 77 5.981 -15.101 7.533 1.00 0.00 H new ATOM 0 HE2 HIS A 77 6.843 -13.733 5.531 1.00 0.00 H new ATOM 1168 N CYS A 78 10.610 -10.124 9.428 1.00 0.00 N ATOM 1169 CA CYS A 78 11.762 -9.802 8.565 1.00 0.00 C ATOM 1170 C CYS A 78 11.475 -10.014 7.058 1.00 0.00 C ATOM 1171 O CYS A 78 12.095 -10.822 6.359 1.00 0.00 O ATOM 1172 CB CYS A 78 13.058 -10.454 9.081 1.00 0.00 C ATOM 1173 SG CYS A 78 14.539 -10.079 8.084 1.00 0.00 S ATOM 0 H CYS A 78 10.514 -9.460 10.196 1.00 0.00 H new ATOM 0 HA CYS A 78 11.934 -8.728 8.638 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.232 -10.126 10.106 1.00 0.00 H new ATOM 0 HB3 CYS A 78 12.919 -11.535 9.111 1.00 0.00 H new ATOM 1178 N LYS A 79 10.506 -9.241 6.553 1.00 0.00 N ATOM 1179 CA LYS A 79 10.316 -8.967 5.117 1.00 0.00 C ATOM 1180 C LYS A 79 11.445 -8.085 4.550 1.00 0.00 C ATOM 1181 O LYS A 79 12.125 -7.381 5.296 1.00 0.00 O ATOM 1182 CB LYS A 79 8.903 -8.401 4.855 1.00 0.00 C ATOM 1183 CG LYS A 79 8.357 -7.370 5.860 1.00 0.00 C ATOM 1184 CD LYS A 79 9.110 -6.028 5.892 1.00 0.00 C ATOM 1185 CE LYS A 79 10.000 -5.790 7.125 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.207 -5.580 8.368 1.00 0.00 N ATOM 0 H LYS A 79 9.815 -8.776 7.142 1.00 0.00 H new ATOM 0 HA LYS A 79 10.383 -9.908 4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.902 -7.942 3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.206 -9.238 4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.310 -7.176 5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.384 -7.808 6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.732 -5.960 5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.379 -5.221 5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.663 -6.644 7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.633 -4.920 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.542 -4.723 8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.202 -5.469 8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.322 -6.401 8.996 1.00 0.00 H new ATOM 1200 N ASP A 80 11.621 -8.104 3.230 1.00 0.00 N ATOM 1201 CA ASP A 80 12.749 -7.480 2.509 1.00 0.00 C ATOM 1202 C ASP A 80 12.794 -5.945 2.595 1.00 0.00 C ATOM 1203 O ASP A 80 13.876 -5.355 2.591 1.00 0.00 O ATOM 1204 CB ASP A 80 12.703 -7.902 1.033 1.00 0.00 C ATOM 1205 CG ASP A 80 12.967 -9.405 0.852 1.00 0.00 C ATOM 1206 OD1 ASP A 80 12.013 -10.205 0.999 1.00 0.00 O ATOM 1207 OD2 ASP A 80 14.127 -9.786 0.565 1.00 0.00 O ATOM 0 H ASP A 80 10.964 -8.568 2.603 1.00 0.00 H new ATOM 0 HA ASP A 80 13.653 -7.836 3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.727 -7.653 0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.444 -7.334 0.471 1.00 0.00 H new ATOM 1212 N LYS A 81 11.629 -5.296 2.691 1.00 0.00 N ATOM 1213 CA LYS A 81 11.468 -3.870 3.012 1.00 0.00 C ATOM 1214 C LYS A 81 10.058 -3.563 3.507 1.00 0.00 C ATOM 1215 O LYS A 81 9.113 -4.272 3.163 1.00 0.00 O ATOM 1216 CB LYS A 81 11.816 -2.971 1.801 1.00 0.00 C ATOM 1217 CG LYS A 81 11.160 -3.407 0.483 1.00 0.00 C ATOM 1218 CD LYS A 81 11.254 -2.342 -0.624 1.00 0.00 C ATOM 1219 CE LYS A 81 10.344 -1.119 -0.409 1.00 0.00 C ATOM 1220 NZ LYS A 81 8.927 -1.393 -0.770 1.00 0.00 N ATOM 0 H LYS A 81 10.736 -5.766 2.542 1.00 0.00 H new ATOM 0 HA LYS A 81 12.169 -3.647 3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.513 -1.948 2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.898 -2.961 1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.634 -4.325 0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.111 -3.639 0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.287 -2.002 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.002 -2.804 -1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.396 -0.810 0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.713 -0.286 -1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.356 -0.539 -0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.870 -1.662 -1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.563 -2.170 -0.182 1.00 0.00 H new ATOM 1234 N ASN A 82 9.909 -2.477 4.264 1.00 0.00 N ATOM 1235 CA ASN A 82 8.608 -1.900 4.618 1.00 0.00 C ATOM 1236 C ASN A 82 8.584 -0.405 4.287 1.00 0.00 C ATOM 1237 O ASN A 82 9.620 0.256 4.373 1.00 0.00 O ATOM 1238 CB ASN A 82 8.314 -2.156 6.111 1.00 0.00 C ATOM 1239 CG ASN A 82 6.823 -2.277 6.397 1.00 0.00 C ATOM 1240 OD1 ASN A 82 6.077 -2.924 5.682 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.337 -1.694 7.464 1.00 0.00 N ATOM 0 H ASN A 82 10.699 -1.964 4.656 1.00 0.00 H new ATOM 0 HA ASN A 82 7.825 -2.380 4.031 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.817 -3.070 6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.730 -1.342 6.705 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.346 -1.784 7.688 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.949 -1.150 8.071 1.00 0.00 H new ATOM 1248 N THR A 83 7.408 0.126 3.943 1.00 0.00 N ATOM 1249 CA THR A 83 7.211 1.545 3.610 1.00 0.00 C ATOM 1250 C THR A 83 6.294 2.197 4.646 1.00 0.00 C ATOM 1251 O THR A 83 5.067 2.147 4.514 1.00 0.00 O ATOM 1252 CB THR A 83 6.622 1.708 2.197 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.363 0.965 1.247 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.638 3.178 1.793 1.00 0.00 C ATOM 0 H THR A 83 6.551 -0.424 3.886 1.00 0.00 H new ATOM 0 HA THR A 83 8.182 2.040 3.626 1.00 0.00 H new ATOM 0 HB THR A 83 5.598 1.335 2.217 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.968 1.084 0.358 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.220 3.285 0.792 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.042 3.756 2.499 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.664 3.546 1.799 1.00 0.00 H new ATOM 1262 N PHE A 84 6.877 2.776 5.700 1.00 0.00 N ATOM 1263 CA PHE A 84 6.115 3.442 6.760 1.00 0.00 C ATOM 1264 C PHE A 84 5.696 4.852 6.340 1.00 0.00 C ATOM 1265 O PHE A 84 6.524 5.674 5.943 1.00 0.00 O ATOM 1266 CB PHE A 84 6.875 3.510 8.085 1.00 0.00 C ATOM 1267 CG PHE A 84 7.241 2.180 8.700 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.241 1.340 9.224 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.596 1.811 8.792 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.603 0.148 9.877 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.945 0.575 9.366 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.954 -0.243 9.939 1.00 0.00 C ATOM 0 H PHE A 84 7.887 2.796 5.842 1.00 0.00 H new ATOM 0 HA PHE A 84 5.227 2.830 6.917 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.790 4.081 7.929 1.00 0.00 H new ATOM 0 HB3 PHE A 84 6.270 4.066 8.801 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.200 1.609 9.125 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.365 2.474 8.423 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.842 -0.469 10.332 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.976 0.253 9.367 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.229 -1.168 10.425 1.00 0.00 H new ATOM 1282 N ILE A 85 4.402 5.132 6.477 1.00 0.00 N ATOM 1283 CA ILE A 85 3.769 6.426 6.215 1.00 0.00 C ATOM 1284 C ILE A 85 3.438 7.058 7.571 1.00 0.00 C ATOM 1285 O ILE A 85 2.606 6.531 8.313 1.00 0.00 O ATOM 1286 CB ILE A 85 2.506 6.221 5.346 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.838 5.558 3.988 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.760 7.545 5.105 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.583 5.101 3.238 1.00 0.00 C ATOM 0 H ILE A 85 3.732 4.429 6.789 1.00 0.00 H new ATOM 0 HA ILE A 85 4.431 7.092 5.661 1.00 0.00 H new ATOM 0 HB ILE A 85 1.856 5.550 5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.391 6.263 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.490 4.701 4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.879 7.360 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.453 7.969 6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.419 8.246 4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.871 4.643 2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.042 4.374 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.942 5.961 3.044 1.00 0.00 H new ATOM 1301 N TYR A 86 4.086 8.170 7.923 1.00 0.00 N ATOM 1302 CA TYR A 86 3.678 8.987 9.067 1.00 0.00 C ATOM 1303 C TYR A 86 2.561 9.963 8.647 1.00 0.00 C ATOM 1304 O TYR A 86 2.825 11.085 8.208 1.00 0.00 O ATOM 1305 CB TYR A 86 4.906 9.670 9.688 1.00 0.00 C ATOM 1306 CG TYR A 86 4.671 10.594 10.877 1.00 0.00 C ATOM 1307 CD1 TYR A 86 3.497 10.526 11.657 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.658 11.548 11.199 1.00 0.00 C ATOM 1309 CE1 TYR A 86 3.294 11.436 12.710 1.00 0.00 C ATOM 1310 CE2 TYR A 86 5.463 12.452 12.261 1.00 0.00 C ATOM 1311 CZ TYR A 86 4.272 12.403 13.017 1.00 0.00 C ATOM 1312 OH TYR A 86 4.059 13.281 14.036 1.00 0.00 O ATOM 0 H TYR A 86 4.903 8.528 7.427 1.00 0.00 H new ATOM 0 HA TYR A 86 3.252 8.361 9.851 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.602 8.891 10.000 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.401 10.247 8.907 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.752 9.773 11.445 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.572 11.586 10.626 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.382 11.393 13.287 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.224 13.182 12.497 1.00 0.00 H new ATOM 0 HH TYR A 86 4.830 13.881 14.118 1.00 0.00 H new ATOM 1322 N SER A 87 1.303 9.518 8.756 1.00 0.00 N ATOM 1323 CA SER A 87 0.104 10.354 8.578 1.00 0.00 C ATOM 1324 C SER A 87 -1.083 9.886 9.439 1.00 0.00 C ATOM 1325 O SER A 87 -1.097 8.763 9.953 1.00 0.00 O ATOM 1326 CB SER A 87 -0.295 10.402 7.094 1.00 0.00 C ATOM 1327 OG SER A 87 -0.826 9.166 6.654 1.00 0.00 O ATOM 0 H SER A 87 1.083 8.546 8.975 1.00 0.00 H new ATOM 0 HA SER A 87 0.362 11.357 8.918 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.032 11.190 6.941 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.576 10.659 6.491 1.00 0.00 H new ATOM 0 HG SER A 87 -1.070 9.233 5.707 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.096 10.751 9.592 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.394 10.424 10.217 1.00 0.00 C ATOM 1335 C ARG A 88 -4.273 9.614 9.248 1.00 0.00 C ATOM 1336 O ARG A 88 -4.048 9.683 8.041 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.089 11.729 10.650 1.00 0.00 C ATOM 1338 CG ARG A 88 -3.269 12.485 11.709 1.00 0.00 C ATOM 1339 CD ARG A 88 -4.088 13.589 12.388 1.00 0.00 C ATOM 1340 NE ARG A 88 -5.058 13.031 13.356 1.00 0.00 N ATOM 1341 CZ ARG A 88 -6.050 13.665 13.955 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -6.303 14.925 13.736 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -6.810 13.041 14.810 1.00 0.00 N ATOM 0 H ARG A 88 -2.038 11.720 9.279 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.230 9.805 11.099 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.237 12.368 9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.077 11.500 11.050 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.913 11.782 12.462 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.388 12.923 11.241 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.417 14.278 12.901 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.619 14.166 11.631 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.948 12.044 13.587 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.726 15.455 13.083 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.078 15.381 14.217 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.640 12.057 15.020 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.574 13.536 15.269 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.319 8.906 9.715 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.208 8.154 8.825 1.00 0.00 C ATOM 1359 C PRO A 89 -7.093 9.027 7.918 1.00 0.00 C ATOM 1360 O PRO A 89 -7.544 8.552 6.878 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.050 7.268 9.749 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.039 8.009 11.085 1.00 0.00 C ATOM 1363 CD PRO A 89 -5.649 8.639 11.110 1.00 0.00 C ATOM 0 HA PRO A 89 -5.615 7.579 8.114 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.064 7.146 9.369 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.622 6.270 9.843 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.825 8.762 11.137 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.191 7.331 11.925 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -5.644 9.557 11.697 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.921 7.967 11.564 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.335 10.298 8.260 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.199 11.208 7.490 1.00 0.00 C ATOM 1373 C GLU A 90 -7.668 11.484 6.065 1.00 0.00 C ATOM 1374 O GLU A 90 -8.375 11.152 5.110 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.473 12.505 8.276 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.387 12.267 9.486 1.00 0.00 C ATOM 1377 CD GLU A 90 -9.678 13.589 10.223 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -10.660 14.286 9.868 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -8.929 13.938 11.168 1.00 0.00 O ATOM 0 H GLU A 90 -6.932 10.732 9.090 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.152 10.699 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.528 12.929 8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.933 13.239 7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.323 11.816 9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.916 11.561 10.170 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.433 12.001 5.867 1.00 0.00 N ATOM 1387 CA PRO A 91 -5.862 12.248 4.535 1.00 0.00 C ATOM 1388 C PRO A 91 -5.543 10.987 3.717 1.00 0.00 C ATOM 1389 O PRO A 91 -5.075 11.101 2.586 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.586 13.062 4.778 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.161 12.665 6.186 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.493 12.441 6.892 1.00 0.00 C ATOM 0 HA PRO A 91 -6.604 12.769 3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.815 12.824 4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.775 14.133 4.705 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.548 11.764 6.184 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.575 13.448 6.667 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.395 11.691 7.677 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.839 13.358 7.369 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.793 9.797 4.267 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.646 8.488 3.613 1.00 0.00 C ATOM 1402 C VAL A 92 -7.021 7.976 3.175 1.00 0.00 C ATOM 1403 O VAL A 92 -7.243 7.734 1.991 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.926 7.497 4.554 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.577 6.196 3.826 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.616 8.052 5.135 1.00 0.00 C ATOM 0 H VAL A 92 -6.120 9.712 5.229 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.028 8.588 2.721 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.632 7.321 5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.071 5.519 4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.491 5.727 3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.920 6.415 2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.162 7.306 5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.930 8.290 4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.826 8.955 5.709 1.00 0.00 H new ATOM 1416 N LYS A 93 -7.980 7.855 4.099 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.332 7.358 3.801 1.00 0.00 C ATOM 1418 C LYS A 93 -10.127 8.295 2.883 1.00 0.00 C ATOM 1419 O LYS A 93 -10.770 7.840 1.941 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.111 7.071 5.102 1.00 0.00 C ATOM 1421 CG LYS A 93 -10.974 5.803 4.951 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.291 5.790 5.741 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.127 5.672 7.259 1.00 0.00 C ATOM 1424 NZ LYS A 93 -11.915 6.974 7.942 1.00 0.00 N ATOM 0 H LYS A 93 -7.842 8.100 5.080 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.205 6.424 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.413 6.946 5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.746 7.922 5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.205 5.668 3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.379 4.943 5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.841 6.705 5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.901 4.958 5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.014 5.194 7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.282 5.018 7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.863 6.823 8.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.026 7.400 7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.707 7.612 7.726 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.068 9.604 3.144 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.864 10.625 2.455 1.00 0.00 C ATOM 1440 C ALA A 94 -10.373 10.969 1.036 1.00 0.00 C ATOM 1441 O ALA A 94 -11.023 11.755 0.340 1.00 0.00 O ATOM 1442 CB ALA A 94 -10.906 11.882 3.324 1.00 0.00 C ATOM 0 H ALA A 94 -9.451 9.993 3.857 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.861 10.207 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.495 12.651 2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.361 11.645 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.892 12.248 3.483 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.256 10.381 0.582 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.802 10.467 -0.817 1.00 0.00 C ATOM 1450 C ILE A 95 -9.924 10.028 -1.780 1.00 0.00 C ATOM 1451 O ILE A 95 -10.097 10.632 -2.842 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.513 9.639 -1.052 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.374 10.048 -0.093 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -7.003 9.807 -2.495 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.178 9.084 -0.102 1.00 0.00 C ATOM 0 H ILE A 95 -8.638 9.829 1.177 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.560 11.509 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.784 8.600 -0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.026 11.046 -0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.770 10.111 0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.098 9.215 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.768 9.467 -3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.782 10.858 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.420 9.438 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.510 8.090 0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.755 9.039 -1.105 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.730 9.032 -1.384 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.904 8.576 -2.129 1.00 0.00 C ATOM 1469 C CYS A 96 -13.237 8.949 -1.452 1.00 0.00 C ATOM 1470 O CYS A 96 -13.301 9.203 -0.246 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.777 7.068 -2.359 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.780 6.012 -0.890 1.00 0.00 S ATOM 0 H CYS A 96 -10.578 8.513 -0.519 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.928 9.094 -3.088 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.597 6.753 -3.005 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.852 6.885 -2.906 1.00 0.00 H new ATOM 1477 N LYS A 97 -14.317 8.960 -2.247 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.689 9.298 -1.833 1.00 0.00 C ATOM 1479 C LYS A 97 -16.714 8.613 -2.750 1.00 0.00 C ATOM 1480 O LYS A 97 -16.904 9.025 -3.895 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.854 10.835 -1.825 1.00 0.00 C ATOM 1482 CG LYS A 97 -17.097 11.320 -1.059 1.00 0.00 C ATOM 1483 CD LYS A 97 -16.894 11.288 0.464 1.00 0.00 C ATOM 1484 CE LYS A 97 -18.125 11.861 1.178 1.00 0.00 C ATOM 1485 NZ LYS A 97 -17.912 11.957 2.646 1.00 0.00 N ATOM 0 H LYS A 97 -14.257 8.724 -3.237 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.872 8.929 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.966 11.284 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.910 11.191 -2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.339 12.336 -1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.950 10.695 -1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.719 10.264 0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.009 11.865 0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.351 12.849 0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.990 11.229 0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.764 12.348 3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.721 11.010 3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.102 12.580 2.839 1.00 0.00 H new ATOM 1499 N GLY A 98 -17.321 7.521 -2.280 1.00 0.00 N ATOM 1500 CA GLY A 98 -18.314 6.736 -3.035 1.00 0.00 C ATOM 1501 C GLY A 98 -17.718 5.698 -3.999 1.00 0.00 C ATOM 1502 O GLY A 98 -18.463 5.064 -4.745 1.00 0.00 O ATOM 0 H GLY A 98 -17.137 7.147 -1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.964 6.222 -2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.941 7.422 -3.604 1.00 0.00 H new ATOM 1506 N ILE A 99 -16.392 5.509 -3.999 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.683 4.574 -4.886 1.00 0.00 C ATOM 1508 C ILE A 99 -15.905 3.118 -4.449 1.00 0.00 C ATOM 1509 O ILE A 99 -15.469 2.696 -3.377 1.00 0.00 O ATOM 1510 CB ILE A 99 -14.179 4.932 -5.001 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -14.031 6.353 -5.600 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -13.455 3.884 -5.870 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.591 6.816 -5.865 1.00 0.00 C ATOM 0 H ILE A 99 -15.768 6.012 -3.369 1.00 0.00 H new ATOM 0 HA ILE A 99 -16.105 4.674 -5.886 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.722 4.924 -4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.584 6.391 -6.538 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.503 7.064 -4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -12.399 4.142 -5.947 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -13.556 2.900 -5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.898 3.869 -6.866 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.604 7.822 -6.283 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -12.032 6.819 -4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -12.114 6.136 -6.571 1.00 0.00 H new ATOM 1525 N ILE A 100 -16.564 2.343 -5.313 1.00 0.00 N ATOM 1526 CA ILE A 100 -16.762 0.881 -5.213 1.00 0.00 C ATOM 1527 C ILE A 100 -15.927 0.137 -6.288 1.00 0.00 C ATOM 1528 O ILE A 100 -15.714 -1.071 -6.215 1.00 0.00 O ATOM 1529 CB ILE A 100 -18.279 0.532 -5.290 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -19.147 1.538 -4.490 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -18.542 -0.882 -4.747 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -20.647 1.223 -4.398 1.00 0.00 C ATOM 0 H ILE A 100 -17.000 2.732 -6.149 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.401 0.539 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 100 -18.557 0.586 -6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.749 1.603 -3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -19.032 2.523 -4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -19.607 -1.104 -4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.984 -1.608 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -18.221 -0.938 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -21.146 1.997 -3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -21.074 1.191 -5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -20.787 0.257 -3.913 1.00 0.00 H new ATOM 1544 N ALA A 101 -15.384 0.876 -7.262 1.00 0.00 N ATOM 1545 CA ALA A 101 -14.728 0.398 -8.487 1.00 0.00 C ATOM 1546 C ALA A 101 -13.312 -0.206 -8.314 1.00 0.00 C ATOM 1547 O ALA A 101 -12.665 -0.520 -9.315 1.00 0.00 O ATOM 1548 CB ALA A 101 -14.703 1.582 -9.468 1.00 0.00 C ATOM 0 H ALA A 101 -15.391 1.895 -7.213 1.00 0.00 H new ATOM 0 HA ALA A 101 -15.308 -0.448 -8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -14.223 1.275 -10.397 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.723 1.904 -9.676 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -14.145 2.408 -9.027 1.00 0.00 H new ATOM 1554 N SER A 102 -12.812 -0.369 -7.080 1.00 0.00 N ATOM 1555 CA SER A 102 -11.436 -0.798 -6.764 1.00 0.00 C ATOM 1556 C SER A 102 -10.365 0.056 -7.479 1.00 0.00 C ATOM 1557 O SER A 102 -9.618 -0.428 -8.336 1.00 0.00 O ATOM 1558 CB SER A 102 -11.284 -2.307 -7.016 1.00 0.00 C ATOM 1559 OG SER A 102 -10.041 -2.785 -6.531 1.00 0.00 O ATOM 0 H SER A 102 -13.372 -0.201 -6.244 1.00 0.00 H new ATOM 0 HA SER A 102 -11.259 -0.624 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.098 -2.844 -6.529 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.363 -2.510 -8.084 1.00 0.00 H new ATOM 0 HG SER A 102 -9.971 -3.747 -6.703 1.00 0.00 H new ATOM 1565 N LYS A 103 -10.294 1.351 -7.132 1.00 0.00 N ATOM 1566 CA LYS A 103 -9.361 2.357 -7.688 1.00 0.00 C ATOM 1567 C LYS A 103 -9.147 3.513 -6.704 1.00 0.00 C ATOM 1568 O LYS A 103 -9.975 3.733 -5.829 1.00 0.00 O ATOM 1569 CB LYS A 103 -9.950 2.853 -9.024 1.00 0.00 C ATOM 1570 CG LYS A 103 -8.970 3.695 -9.861 1.00 0.00 C ATOM 1571 CD LYS A 103 -9.457 3.928 -11.299 1.00 0.00 C ATOM 1572 CE LYS A 103 -9.368 2.650 -12.149 1.00 0.00 C ATOM 1573 NZ LYS A 103 -9.803 2.891 -13.550 1.00 0.00 N ATOM 0 H LYS A 103 -10.912 1.748 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.381 1.912 -7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -10.268 1.992 -9.612 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.841 3.446 -8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.819 4.658 -9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -8.001 3.196 -9.887 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.488 4.280 -11.280 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.860 4.714 -11.762 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.343 2.281 -12.145 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.989 1.873 -11.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.730 2.007 -14.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -10.790 3.220 -13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.195 3.615 -13.983 1.00 0.00 H new ATOM 1587 N ASN A 104 -8.052 4.263 -6.809 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.893 5.573 -6.172 1.00 0.00 C ATOM 1589 C ASN A 104 -7.079 6.545 -7.053 1.00 0.00 C ATOM 1590 O ASN A 104 -6.781 6.248 -8.212 1.00 0.00 O ATOM 1591 CB ASN A 104 -7.239 5.374 -4.792 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.804 6.280 -3.711 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -8.472 7.266 -3.971 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.533 5.968 -2.467 1.00 0.00 N ATOM 0 H ASN A 104 -7.235 3.975 -7.348 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.874 6.031 -6.045 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.366 4.336 -4.486 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.167 5.552 -4.879 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.882 6.552 -1.707 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.973 5.141 -2.259 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.689 7.691 -6.488 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.762 8.666 -7.079 1.00 0.00 C ATOM 1603 C VAL A 105 -4.610 8.910 -6.095 1.00 0.00 C ATOM 1604 O VAL A 105 -4.827 8.970 -4.885 1.00 0.00 O ATOM 1605 CB VAL A 105 -6.497 9.984 -7.420 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -5.605 10.943 -8.218 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -7.760 9.746 -8.263 1.00 0.00 C ATOM 0 H VAL A 105 -7.023 7.979 -5.568 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.359 8.272 -8.012 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.764 10.417 -6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -6.158 11.856 -8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.718 11.187 -7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.304 10.468 -9.152 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.240 10.701 -8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.486 9.260 -9.200 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.450 9.108 -7.712 1.00 0.00 H new ATOM 1617 N LEU A 106 -3.384 9.055 -6.604 1.00 0.00 N ATOM 1618 CA LEU A 106 -2.209 9.497 -5.841 1.00 0.00 C ATOM 1619 C LEU A 106 -2.490 10.794 -5.051 1.00 0.00 C ATOM 1620 O LEU A 106 -3.155 11.706 -5.550 1.00 0.00 O ATOM 1621 CB LEU A 106 -1.053 9.689 -6.848 1.00 0.00 C ATOM 1622 CG LEU A 106 0.286 10.179 -6.272 1.00 0.00 C ATOM 1623 CD1 LEU A 106 0.978 9.076 -5.486 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.185 10.643 -7.413 1.00 0.00 C ATOM 0 H LEU A 106 -3.173 8.864 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.945 8.747 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.880 8.739 -7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.378 10.400 -7.608 1.00 0.00 H new ATOM 0 HG LEU A 106 0.091 11.009 -5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.922 9.449 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.338 8.760 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.170 8.227 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.135 10.991 -7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.364 9.813 -8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.699 11.457 -7.951 1.00 0.00 H new ATOM 1636 N THR A 107 -1.955 10.895 -3.830 1.00 0.00 N ATOM 1637 CA THR A 107 -2.021 12.127 -3.010 1.00 0.00 C ATOM 1638 C THR A 107 -1.302 13.333 -3.646 1.00 0.00 C ATOM 1639 O THR A 107 -0.576 13.212 -4.633 1.00 0.00 O ATOM 1640 CB THR A 107 -1.478 11.916 -1.578 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.840 10.680 -1.395 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.602 11.977 -0.546 1.00 0.00 C ATOM 0 H THR A 107 -1.461 10.128 -3.374 1.00 0.00 H new ATOM 0 HA THR A 107 -3.085 12.356 -2.961 1.00 0.00 H new ATOM 0 HB THR A 107 -0.756 12.721 -1.441 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.277 10.191 -0.667 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.189 11.825 0.451 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.087 12.952 -0.593 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.334 11.197 -0.758 1.00 0.00 H new ATOM 1650 N THR A 108 -1.472 14.516 -3.046 1.00 0.00 N ATOM 1651 CA THR A 108 -0.875 15.792 -3.507 1.00 0.00 C ATOM 1652 C THR A 108 0.006 16.488 -2.454 1.00 0.00 C ATOM 1653 O THR A 108 0.868 17.294 -2.806 1.00 0.00 O ATOM 1654 CB THR A 108 -1.978 16.726 -4.043 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.433 17.804 -4.776 1.00 0.00 O ATOM 1656 CG2 THR A 108 -2.897 17.300 -2.959 1.00 0.00 C ATOM 0 H THR A 108 -2.040 14.624 -2.206 1.00 0.00 H new ATOM 0 HA THR A 108 -0.191 15.545 -4.319 1.00 0.00 H new ATOM 0 HB THR A 108 -2.581 16.087 -4.688 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.158 18.377 -5.103 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.644 17.946 -3.420 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.396 16.484 -2.435 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.305 17.879 -2.249 1.00 0.00 H new ATOM 1664 N SER A 109 -0.169 16.158 -1.170 1.00 0.00 N ATOM 1665 CA SER A 109 0.665 16.633 -0.053 1.00 0.00 C ATOM 1666 C SER A 109 1.932 15.779 0.111 1.00 0.00 C ATOM 1667 O SER A 109 2.070 14.719 -0.500 1.00 0.00 O ATOM 1668 CB SER A 109 -0.148 16.606 1.250 1.00 0.00 C ATOM 1669 OG SER A 109 -1.329 17.388 1.132 1.00 0.00 O ATOM 0 H SER A 109 -0.917 15.534 -0.867 1.00 0.00 H new ATOM 0 HA SER A 109 0.974 17.654 -0.277 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.412 15.578 1.496 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.462 16.984 2.071 1.00 0.00 H new ATOM 0 HG SER A 109 -1.830 17.353 1.974 1.00 0.00 H new ATOM 1675 N GLU A 110 2.865 16.222 0.957 1.00 0.00 N ATOM 1676 CA GLU A 110 4.147 15.552 1.209 1.00 0.00 C ATOM 1677 C GLU A 110 4.258 15.107 2.678 1.00 0.00 C ATOM 1678 O GLU A 110 4.418 15.928 3.583 1.00 0.00 O ATOM 1679 CB GLU A 110 5.322 16.441 0.768 1.00 0.00 C ATOM 1680 CG GLU A 110 5.155 16.975 -0.662 1.00 0.00 C ATOM 1681 CD GLU A 110 6.460 17.587 -1.211 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.961 18.585 -0.635 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.976 17.092 -2.242 1.00 0.00 O ATOM 0 H GLU A 110 2.749 17.078 1.500 1.00 0.00 H new ATOM 0 HA GLU A 110 4.192 14.646 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.416 17.281 1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.249 15.871 0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.833 16.164 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.368 17.729 -0.677 1.00 0.00 H new ATOM 1690 N PHE A 111 4.125 13.800 2.913 1.00 0.00 N ATOM 1691 CA PHE A 111 4.090 13.166 4.238 1.00 0.00 C ATOM 1692 C PHE A 111 5.466 12.586 4.588 1.00 0.00 C ATOM 1693 O PHE A 111 6.271 12.317 3.694 1.00 0.00 O ATOM 1694 CB PHE A 111 3.021 12.057 4.252 1.00 0.00 C ATOM 1695 CG PHE A 111 1.674 12.458 3.673 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.480 12.391 2.281 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.614 12.874 4.501 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.250 12.748 1.716 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.626 13.225 3.934 1.00 0.00 C ATOM 1700 CZ PHE A 111 -0.807 13.160 2.540 1.00 0.00 C ATOM 0 H PHE A 111 4.035 13.124 2.155 1.00 0.00 H new ATOM 0 HA PHE A 111 3.834 13.916 4.986 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.400 11.201 3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.874 11.727 5.280 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.287 12.061 1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.752 12.924 5.571 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.115 12.706 0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.439 13.544 4.569 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.759 13.427 2.105 1.00 0.00 H new ATOM 1710 N TYR A 112 5.739 12.361 5.876 1.00 0.00 N ATOM 1711 CA TYR A 112 7.004 11.774 6.330 1.00 0.00 C ATOM 1712 C TYR A 112 7.073 10.290 5.936 1.00 0.00 C ATOM 1713 O TYR A 112 6.366 9.449 6.500 1.00 0.00 O ATOM 1714 CB TYR A 112 7.192 11.992 7.840 1.00 0.00 C ATOM 1715 CG TYR A 112 8.256 13.016 8.190 1.00 0.00 C ATOM 1716 CD1 TYR A 112 8.004 14.388 8.002 1.00 0.00 C ATOM 1717 CD2 TYR A 112 9.497 12.590 8.704 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.992 15.337 8.331 1.00 0.00 C ATOM 1719 CE2 TYR A 112 10.486 13.536 9.037 1.00 0.00 C ATOM 1720 CZ TYR A 112 10.235 14.914 8.852 1.00 0.00 C ATOM 1721 OH TYR A 112 11.182 15.838 9.174 1.00 0.00 O ATOM 0 H TYR A 112 5.091 12.580 6.633 1.00 0.00 H new ATOM 0 HA TYR A 112 7.833 12.279 5.834 1.00 0.00 H new ATOM 0 HB2 TYR A 112 6.242 12.308 8.272 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.452 11.041 8.304 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.053 14.713 7.606 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.690 11.537 8.843 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.799 16.389 8.185 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.436 13.208 9.433 1.00 0.00 H new ATOM 0 HH TYR A 112 11.978 15.383 9.520 1.00 0.00 H new ATOM 1731 N LEU A 113 7.903 9.979 4.939 1.00 0.00 N ATOM 1732 CA LEU A 113 8.119 8.628 4.418 1.00 0.00 C ATOM 1733 C LEU A 113 9.386 7.986 5.005 1.00 0.00 C ATOM 1734 O LEU A 113 10.464 8.587 5.037 1.00 0.00 O ATOM 1735 CB LEU A 113 8.152 8.669 2.878 1.00 0.00 C ATOM 1736 CG LEU A 113 6.940 8.009 2.206 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.869 6.507 2.457 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.606 8.654 2.585 1.00 0.00 C ATOM 0 H LEU A 113 8.461 10.683 4.456 1.00 0.00 H new ATOM 0 HA LEU A 113 7.288 7.995 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.212 9.708 2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.060 8.175 2.532 1.00 0.00 H new ATOM 0 HG LEU A 113 7.102 8.176 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.992 6.096 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.767 6.030 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.797 6.320 3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.794 8.137 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.460 8.582 3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.612 9.703 2.289 1.00 0.00 H new ATOM 1750 N SER A 114 9.250 6.743 5.462 1.00 0.00 N ATOM 1751 CA SER A 114 10.289 5.998 6.177 1.00 0.00 C ATOM 1752 C SER A 114 10.360 4.565 5.646 1.00 0.00 C ATOM 1753 O SER A 114 9.601 3.685 6.051 1.00 0.00 O ATOM 1754 CB SER A 114 10.016 6.074 7.682 1.00 0.00 C ATOM 1755 OG SER A 114 11.038 5.437 8.438 1.00 0.00 O ATOM 0 H SER A 114 8.389 6.209 5.343 1.00 0.00 H new ATOM 0 HA SER A 114 11.271 6.440 6.005 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.938 7.118 7.985 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.056 5.606 7.901 1.00 0.00 H new ATOM 0 HG SER A 114 10.635 4.944 9.183 1.00 0.00 H new ATOM 1761 N ASP A 115 11.245 4.340 4.678 1.00 0.00 N ATOM 1762 CA ASP A 115 11.576 3.008 4.174 1.00 0.00 C ATOM 1763 C ASP A 115 12.728 2.392 4.993 1.00 0.00 C ATOM 1764 O ASP A 115 13.546 3.095 5.596 1.00 0.00 O ATOM 1765 CB ASP A 115 12.000 3.096 2.700 1.00 0.00 C ATOM 1766 CG ASP A 115 10.842 3.324 1.719 1.00 0.00 C ATOM 1767 OD1 ASP A 115 10.279 4.444 1.685 1.00 0.00 O ATOM 1768 OD2 ASP A 115 10.547 2.393 0.934 1.00 0.00 O ATOM 0 H ASP A 115 11.760 5.088 4.214 1.00 0.00 H new ATOM 0 HA ASP A 115 10.692 2.377 4.267 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.719 3.908 2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.515 2.175 2.427 1.00 0.00 H new ATOM 1773 N CYS A 116 12.843 1.066 4.937 1.00 0.00 N ATOM 1774 CA CYS A 116 14.052 0.326 5.311 1.00 0.00 C ATOM 1775 C CYS A 116 14.218 -0.877 4.382 1.00 0.00 C ATOM 1776 O CYS A 116 13.228 -1.528 4.061 1.00 0.00 O ATOM 1777 CB CYS A 116 13.965 -0.108 6.781 1.00 0.00 C ATOM 1778 SG CYS A 116 14.925 0.953 7.893 1.00 0.00 S ATOM 0 H CYS A 116 12.083 0.461 4.624 1.00 0.00 H new ATOM 0 HA CYS A 116 14.928 0.966 5.204 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.921 -0.102 7.094 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.319 -1.135 6.872 1.00 0.00 H new ATOM 1783 N ASN A 117 15.449 -1.177 3.957 1.00 0.00 N ATOM 1784 CA ASN A 117 15.759 -2.223 2.970 1.00 0.00 C ATOM 1785 C ASN A 117 16.765 -3.226 3.546 1.00 0.00 C ATOM 1786 O ASN A 117 17.817 -2.808 4.026 1.00 0.00 O ATOM 1787 CB ASN A 117 16.311 -1.563 1.693 1.00 0.00 C ATOM 1788 CG ASN A 117 15.261 -0.803 0.902 1.00 0.00 C ATOM 1789 OD1 ASN A 117 14.634 -1.334 0.000 1.00 0.00 O ATOM 1790 ND2 ASN A 117 15.051 0.462 1.186 1.00 0.00 N ATOM 0 H ASN A 117 16.279 -0.690 4.296 1.00 0.00 H new ATOM 0 HA ASN A 117 14.850 -2.772 2.724 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.115 -0.879 1.965 1.00 0.00 H new ATOM 0 HB3 ASN A 117 16.748 -2.332 1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.366 0.997 0.653 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.573 0.909 1.939 1.00 0.00 H new ATOM 1797 N VAL A 118 16.457 -4.527 3.531 1.00 0.00 N ATOM 1798 CA VAL A 118 17.336 -5.584 4.087 1.00 0.00 C ATOM 1799 C VAL A 118 18.728 -5.563 3.437 1.00 0.00 C ATOM 1800 O VAL A 118 18.865 -5.307 2.237 1.00 0.00 O ATOM 1801 CB VAL A 118 16.683 -6.977 3.935 1.00 0.00 C ATOM 1802 CG1 VAL A 118 17.630 -8.170 4.141 1.00 0.00 C ATOM 1803 CG2 VAL A 118 15.554 -7.159 4.951 1.00 0.00 C ATOM 0 H VAL A 118 15.590 -4.887 3.133 1.00 0.00 H new ATOM 0 HA VAL A 118 17.465 -5.377 5.149 1.00 0.00 H new ATOM 0 HB VAL A 118 16.337 -6.984 2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.076 -9.100 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.437 -8.125 3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.049 -8.132 5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.108 -8.146 4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.955 -7.066 5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.794 -6.395 4.791 1.00 0.00 H new ATOM 1813 N THR A 119 19.760 -5.882 4.223 1.00 0.00 N ATOM 1814 CA THR A 119 21.147 -6.050 3.752 1.00 0.00 C ATOM 1815 C THR A 119 21.801 -7.296 4.365 1.00 0.00 C ATOM 1816 O THR A 119 22.114 -7.345 5.557 1.00 0.00 O ATOM 1817 CB THR A 119 21.969 -4.759 3.929 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.304 -4.949 3.501 1.00 0.00 O ATOM 1819 CG2 THR A 119 22.005 -4.178 5.343 1.00 0.00 C ATOM 0 H THR A 119 19.658 -6.035 5.226 1.00 0.00 H new ATOM 0 HA THR A 119 21.123 -6.231 2.677 1.00 0.00 H new ATOM 0 HB THR A 119 21.439 -4.035 3.309 1.00 0.00 H new ATOM 0 HG1 THR A 119 23.807 -4.117 3.621 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.611 -3.272 5.349 1.00 0.00 H new ATOM 0 HG22 THR A 119 20.991 -3.938 5.664 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.438 -4.909 6.026 1.00 0.00 H new ATOM 1827 N SER A 120 21.947 -8.347 3.548 1.00 0.00 N ATOM 1828 CA SER A 120 22.531 -9.657 3.897 1.00 0.00 C ATOM 1829 C SER A 120 23.382 -10.218 2.751 1.00 0.00 C ATOM 1830 O SER A 120 24.597 -10.447 2.962 1.00 0.00 O ATOM 1831 CB SER A 120 21.410 -10.622 4.290 1.00 0.00 C ATOM 1832 OG SER A 120 21.976 -11.790 4.863 1.00 0.00 O ATOM 1833 OXT SER A 120 22.853 -10.373 1.624 1.00 0.00 O ATOM 0 H SER A 120 21.647 -8.309 2.574 1.00 0.00 H new ATOM 0 HA SER A 120 23.201 -9.530 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 120 20.736 -10.144 5.001 1.00 0.00 H new ATOM 0 HB3 SER A 120 20.816 -10.884 3.414 1.00 0.00 H new ATOM 0 HG SER A 120 21.260 -12.409 5.117 1.00 0.00 H new TER 1839 SER A 120