USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 726 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 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 174:sc= 0.869 (180deg=0.835) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 112:sc= -0.176! USER MOD Single : A 9 SER OG : rot 180:sc= -1.03 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -15.6! C(o=-16!,f=-20!) USER MOD Single : A 21 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.018) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 74:sc= 0.871 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.224 USER MOD Single : A 56 SER OG : rot 180:sc= 0.051 USER MOD Single : A 57 THR OG1 : rot 180:sc= -4.8! USER MOD Single : A 58 THR OG1 : rot 171:sc= -5.85! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -2.82! C(o=-2.8!,f=-5.2!) USER MOD Single : A 73 TYR OH : rot 32:sc= -2.02! USER MOD Single : A 74 LYS NZ :NH3+ 149:sc= -0.0885 (180deg=-1.08) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -8.03! C(o=-8!,f=-5.5!) USER MOD Single : A 93 GLN : amide:sc= -0.214 K(o=-0.21,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 21.080 1.592 1.008 1.00 0.00 N ATOM 2 CA LEU A 1 20.095 1.554 2.125 1.00 0.00 C ATOM 3 C LEU A 1 19.032 0.494 1.832 1.00 0.00 C ATOM 4 O LEU A 1 18.539 0.383 0.726 1.00 0.00 O ATOM 5 CB LEU A 1 19.426 2.920 2.263 1.00 0.00 C ATOM 6 CG LEU A 1 18.230 2.808 3.209 1.00 0.00 C ATOM 7 CD1 LEU A 1 18.675 2.168 4.525 1.00 0.00 C ATOM 8 CD2 LEU A 1 17.672 4.203 3.486 1.00 0.00 C ATOM 0 H1 LEU A 1 21.743 2.379 1.157 1.00 0.00 H new ATOM 0 H2 LEU A 1 21.607 0.696 0.979 1.00 0.00 H new ATOM 0 H3 LEU A 1 20.578 1.727 0.107 1.00 0.00 H new ATOM 0 HA LEU A 1 20.610 1.306 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 1 20.140 3.649 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 1 19.099 3.277 1.286 1.00 0.00 H new ATOM 0 HG LEU A 1 17.459 2.190 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 1 17.821 2.089 5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 1 19.076 1.173 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 1 19.446 2.785 4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 1 16.819 4.126 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 1 18.444 4.819 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 1 17.354 4.660 2.549 1.00 0.00 H new ATOM 22 N LYS A 2 18.678 -0.288 2.814 1.00 0.00 N ATOM 23 CA LYS A 2 17.653 -1.346 2.596 1.00 0.00 C ATOM 24 C LYS A 2 16.370 -0.992 3.350 1.00 0.00 C ATOM 25 O LYS A 2 16.415 -0.476 4.449 1.00 0.00 O ATOM 26 CB LYS A 2 18.195 -2.679 3.109 1.00 0.00 C ATOM 27 CG LYS A 2 18.880 -2.464 4.460 1.00 0.00 C ATOM 28 CD LYS A 2 20.379 -2.242 4.241 1.00 0.00 C ATOM 29 CE LYS A 2 20.993 -1.622 5.498 1.00 0.00 C ATOM 30 NZ LYS A 2 22.356 -2.184 5.714 1.00 0.00 N ATOM 0 H LYS A 2 19.056 -0.239 3.760 1.00 0.00 H new ATOM 0 HA LYS A 2 17.430 -1.422 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.383 -3.399 3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 2 18.903 -3.096 2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 2 18.444 -1.604 4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 2 18.720 -3.329 5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.868 -3.189 4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.539 -1.587 3.384 1.00 0.00 H new ATOM 0 HE2 LYS A 2 21.047 -0.538 5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.362 -1.827 6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.774 -1.763 6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.292 -3.215 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 22.955 -1.967 4.892 1.00 0.00 H new ATOM 44 N PRO A 3 15.264 -1.321 2.741 1.00 0.00 N ATOM 45 CA PRO A 3 14.022 -0.538 2.851 1.00 0.00 C ATOM 46 C PRO A 3 13.290 -0.853 4.159 1.00 0.00 C ATOM 47 O PRO A 3 12.381 -1.658 4.192 1.00 0.00 O ATOM 48 CB PRO A 3 13.200 -1.004 1.647 1.00 0.00 C ATOM 49 CG PRO A 3 13.748 -2.395 1.255 1.00 0.00 C ATOM 50 CD PRO A 3 15.154 -2.510 1.874 1.00 0.00 C ATOM 0 HA PRO A 3 14.199 0.538 2.859 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.141 -1.061 1.899 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.293 -0.302 0.818 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.096 -3.186 1.626 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.793 -2.501 0.171 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.264 -3.432 2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.928 -2.517 1.107 1.00 0.00 H new ATOM 58 N LYS A 4 13.669 -0.220 5.236 1.00 0.00 N ATOM 59 CA LYS A 4 12.980 -0.483 6.529 1.00 0.00 C ATOM 60 C LYS A 4 11.505 -0.102 6.391 1.00 0.00 C ATOM 61 O LYS A 4 11.119 1.025 6.628 1.00 0.00 O ATOM 62 CB LYS A 4 13.629 0.354 7.634 1.00 0.00 C ATOM 63 CG LYS A 4 13.835 -0.514 8.877 1.00 0.00 C ATOM 64 CD LYS A 4 13.951 0.382 10.111 1.00 0.00 C ATOM 65 CE LYS A 4 14.531 -0.424 11.274 1.00 0.00 C ATOM 66 NZ LYS A 4 13.578 -0.400 12.419 1.00 0.00 N ATOM 0 H LYS A 4 14.423 0.465 5.275 1.00 0.00 H new ATOM 0 HA LYS A 4 13.064 -1.539 6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.585 0.750 7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.998 1.209 7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.000 -1.205 8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.736 -1.118 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.590 1.238 9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.971 0.776 10.381 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.715 -1.452 10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.491 -0.006 11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.972 -0.948 13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.424 0.583 12.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.672 -0.818 12.126 1.00 0.00 H new ATOM 80 N ILE A 5 10.681 -1.034 5.996 1.00 0.00 N ATOM 81 CA ILE A 5 9.231 -0.738 5.825 1.00 0.00 C ATOM 82 C ILE A 5 8.554 -0.697 7.200 1.00 0.00 C ATOM 83 O ILE A 5 8.430 -1.700 7.875 1.00 0.00 O ATOM 84 CB ILE A 5 8.618 -1.815 4.900 1.00 0.00 C ATOM 85 CG1 ILE A 5 8.057 -1.163 3.631 1.00 0.00 C ATOM 86 CG2 ILE A 5 7.502 -2.599 5.592 1.00 0.00 C ATOM 87 CD1 ILE A 5 6.702 -0.533 3.931 1.00 0.00 C ATOM 0 H ILE A 5 10.952 -1.994 5.783 1.00 0.00 H new ATOM 0 HA ILE A 5 9.079 0.237 5.361 1.00 0.00 H new ATOM 0 HB ILE A 5 9.417 -2.511 4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.748 -0.404 3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.955 -1.909 2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.101 -3.344 4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.901 -3.097 6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.707 -1.915 5.890 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.307 -0.071 3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.011 -1.302 4.276 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.817 0.225 4.705 1.00 0.00 H new ATOM 99 N LEU A 6 8.126 0.466 7.620 1.00 0.00 N ATOM 100 CA LEU A 6 7.471 0.582 8.953 1.00 0.00 C ATOM 101 C LEU A 6 5.949 0.516 8.797 1.00 0.00 C ATOM 102 O LEU A 6 5.341 -0.506 9.045 1.00 0.00 O ATOM 103 CB LEU A 6 7.861 1.914 9.595 1.00 0.00 C ATOM 104 CG LEU A 6 8.842 1.659 10.741 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.237 1.396 10.171 1.00 0.00 C ATOM 106 CD2 LEU A 6 8.888 2.887 11.653 1.00 0.00 C ATOM 0 H LEU A 6 8.203 1.338 7.097 1.00 0.00 H new ATOM 0 HA LEU A 6 7.800 -0.242 9.587 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.316 2.569 8.852 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.973 2.424 9.969 1.00 0.00 H new ATOM 0 HG LEU A 6 8.515 0.791 11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.936 1.214 10.988 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.205 0.523 9.520 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.566 2.263 9.599 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.586 2.707 12.470 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.216 3.754 11.080 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.894 3.076 12.060 1.00 0.00 H new ATOM 118 N THR A 7 5.333 1.590 8.374 1.00 0.00 N ATOM 119 CA THR A 7 3.854 1.586 8.194 1.00 0.00 C ATOM 120 C THR A 7 3.183 0.882 9.383 1.00 0.00 C ATOM 121 O THR A 7 3.820 0.555 10.365 1.00 0.00 O ATOM 122 CB THR A 7 3.502 0.875 6.879 1.00 0.00 C ATOM 123 OG1 THR A 7 2.523 -0.126 7.118 1.00 0.00 O ATOM 124 CG2 THR A 7 4.751 0.230 6.267 1.00 0.00 C ATOM 0 H THR A 7 5.794 2.471 8.145 1.00 0.00 H new ATOM 0 HA THR A 7 3.489 2.612 8.151 1.00 0.00 H new ATOM 0 HB THR A 7 3.107 1.614 6.182 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.678 0.135 6.695 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.483 -0.269 5.336 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.496 1.000 6.065 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.163 -0.499 6.965 1.00 0.00 H new ATOM 132 N ALA A 8 1.897 0.655 9.312 1.00 0.00 N ATOM 133 CA ALA A 8 1.199 -0.023 10.442 1.00 0.00 C ATOM 134 C ALA A 8 0.958 -1.484 10.079 1.00 0.00 C ATOM 135 O ALA A 8 1.027 -2.367 10.910 1.00 0.00 O ATOM 136 CB ALA A 8 -0.140 0.668 10.711 1.00 0.00 C ATOM 0 H ALA A 8 1.303 0.909 8.523 1.00 0.00 H new ATOM 0 HA ALA A 8 1.816 0.034 11.338 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.647 0.170 11.537 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.035 1.712 10.969 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.763 0.615 9.818 1.00 0.00 H new ATOM 142 N SER A 9 0.690 -1.734 8.836 1.00 0.00 N ATOM 143 CA SER A 9 0.451 -3.131 8.371 1.00 0.00 C ATOM 144 C SER A 9 -0.653 -3.785 9.201 1.00 0.00 C ATOM 145 O SER A 9 -0.504 -4.024 10.382 1.00 0.00 O ATOM 146 CB SER A 9 1.741 -3.938 8.512 1.00 0.00 C ATOM 147 OG SER A 9 2.087 -4.493 7.251 1.00 0.00 O ATOM 0 H SER A 9 0.624 -1.023 8.107 1.00 0.00 H new ATOM 0 HA SER A 9 0.140 -3.110 7.327 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.546 -3.298 8.874 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.609 -4.731 9.248 1.00 0.00 H new ATOM 0 HG SER A 9 2.915 -5.010 7.337 1.00 0.00 H new ATOM 153 N ARG A 10 -1.761 -4.083 8.583 1.00 0.00 N ATOM 154 CA ARG A 10 -2.876 -4.724 9.323 1.00 0.00 C ATOM 155 C ARG A 10 -4.120 -4.759 8.441 1.00 0.00 C ATOM 156 O ARG A 10 -4.374 -5.713 7.731 1.00 0.00 O ATOM 157 CB ARG A 10 -3.165 -3.915 10.585 1.00 0.00 C ATOM 158 CG ARG A 10 -2.615 -4.656 11.806 1.00 0.00 C ATOM 159 CD ARG A 10 -1.893 -3.667 12.723 1.00 0.00 C ATOM 160 NE ARG A 10 -2.726 -3.411 13.931 1.00 0.00 N ATOM 161 CZ ARG A 10 -2.935 -2.187 14.332 1.00 0.00 C ATOM 162 NH1 ARG A 10 -2.066 -1.596 15.105 1.00 0.00 N ATOM 163 NH2 ARG A 10 -4.014 -1.554 13.959 1.00 0.00 N ATOM 0 H ARG A 10 -1.940 -3.909 7.594 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.601 -5.743 9.595 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.708 -2.928 10.509 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.239 -3.762 10.693 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.428 -5.142 12.346 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.929 -5.441 11.489 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.923 -4.068 13.016 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.706 -2.733 12.193 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.133 -4.193 14.445 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.223 -2.091 15.396 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.230 -0.639 15.418 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.693 -2.016 13.354 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.178 -0.597 14.272 1.00 0.00 H new ATOM 177 N LYS A 11 -4.892 -3.721 8.483 1.00 0.00 N ATOM 178 CA LYS A 11 -6.130 -3.676 7.655 1.00 0.00 C ATOM 179 C LYS A 11 -6.618 -2.233 7.525 1.00 0.00 C ATOM 180 O LYS A 11 -5.926 -1.298 7.875 1.00 0.00 O ATOM 181 CB LYS A 11 -7.218 -4.525 8.318 1.00 0.00 C ATOM 182 CG LYS A 11 -7.302 -4.178 9.806 1.00 0.00 C ATOM 183 CD LYS A 11 -8.662 -4.613 10.355 1.00 0.00 C ATOM 184 CE LYS A 11 -8.682 -6.133 10.527 1.00 0.00 C ATOM 185 NZ LYS A 11 -9.833 -6.703 9.771 1.00 0.00 N ATOM 0 H LYS A 11 -4.724 -2.894 9.056 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.911 -4.070 6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.179 -4.344 7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.994 -5.584 8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.501 -4.676 10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.166 -3.106 9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.852 -4.126 11.311 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.456 -4.303 9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.748 -6.563 10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.764 -6.389 11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.847 -7.736 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.721 -6.301 10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.735 -6.470 8.762 1.00 0.00 H new ATOM 199 N ILE A 12 -7.806 -2.050 7.018 1.00 0.00 N ATOM 200 CA ILE A 12 -8.349 -0.676 6.851 1.00 0.00 C ATOM 201 C ILE A 12 -9.876 -0.735 6.801 1.00 0.00 C ATOM 202 O ILE A 12 -10.454 -1.640 6.232 1.00 0.00 O ATOM 203 CB ILE A 12 -7.831 -0.082 5.540 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.336 0.220 5.669 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.589 1.210 5.235 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.115 1.220 6.805 1.00 0.00 C ATOM 0 H ILE A 12 -8.426 -2.799 6.711 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.031 -0.056 7.690 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.986 -0.796 4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.784 -0.699 5.866 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.954 0.627 4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.222 1.635 4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.653 0.994 5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.433 1.923 6.045 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.051 1.436 6.898 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.655 2.142 6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.482 0.796 7.740 1.00 0.00 H new ATOM 218 N LYS A 13 -10.534 0.228 7.382 1.00 0.00 N ATOM 219 CA LYS A 13 -12.022 0.233 7.357 1.00 0.00 C ATOM 220 C LYS A 13 -12.499 1.376 6.461 1.00 0.00 C ATOM 221 O LYS A 13 -12.851 2.440 6.932 1.00 0.00 O ATOM 222 CB LYS A 13 -12.555 0.438 8.777 1.00 0.00 C ATOM 223 CG LYS A 13 -11.857 1.641 9.415 1.00 0.00 C ATOM 224 CD LYS A 13 -12.763 2.248 10.488 1.00 0.00 C ATOM 225 CE LYS A 13 -11.955 3.221 11.348 1.00 0.00 C ATOM 226 NZ LYS A 13 -12.306 4.621 10.976 1.00 0.00 N ATOM 0 H LYS A 13 -10.105 1.012 7.873 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.389 -0.717 6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.633 0.600 8.753 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.381 -0.456 9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.909 1.333 9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.627 2.387 8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.600 2.768 10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.185 1.460 11.111 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.165 3.050 12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.888 3.051 11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.757 5.283 11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.085 4.779 9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.322 4.778 11.136 1.00 0.00 H new ATOM 240 N ILE A 14 -12.511 1.172 5.171 1.00 0.00 N ATOM 241 CA ILE A 14 -12.962 2.258 4.258 1.00 0.00 C ATOM 242 C ILE A 14 -14.469 2.128 4.025 1.00 0.00 C ATOM 243 O ILE A 14 -15.050 1.081 4.229 1.00 0.00 O ATOM 244 CB ILE A 14 -12.204 2.151 2.928 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.752 1.744 3.210 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.230 3.504 2.215 1.00 0.00 C ATOM 247 CD1 ILE A 14 -9.882 2.001 1.975 1.00 0.00 C ATOM 0 H ILE A 14 -12.229 0.305 4.713 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.755 3.231 4.704 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.677 1.402 2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.367 2.308 4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.708 0.689 3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.692 3.428 1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.263 3.794 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -11.754 4.256 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.854 1.708 2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.260 1.417 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.913 3.061 1.722 1.00 0.00 H new ATOM 259 N LYS A 15 -15.113 3.184 3.613 1.00 0.00 N ATOM 260 CA LYS A 15 -16.583 3.112 3.379 1.00 0.00 C ATOM 261 C LYS A 15 -16.851 2.961 1.881 1.00 0.00 C ATOM 262 O LYS A 15 -15.975 3.153 1.062 1.00 0.00 O ATOM 263 CB LYS A 15 -17.242 4.393 3.892 1.00 0.00 C ATOM 264 CG LYS A 15 -18.227 4.052 5.011 1.00 0.00 C ATOM 265 CD LYS A 15 -17.455 3.752 6.298 1.00 0.00 C ATOM 266 CE LYS A 15 -17.595 4.929 7.264 1.00 0.00 C ATOM 267 NZ LYS A 15 -18.924 4.866 7.935 1.00 0.00 N ATOM 0 H LYS A 15 -14.687 4.092 3.428 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.997 2.255 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.482 5.082 4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.762 4.898 3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.913 4.884 5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.831 3.190 4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.837 2.842 6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.403 3.577 6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.799 4.900 8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.493 5.870 6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.019 5.666 8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.677 4.914 7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.004 3.973 8.463 1.00 0.00 H new ATOM 281 N ALA A 16 -18.055 2.616 1.515 1.00 0.00 N ATOM 282 CA ALA A 16 -18.370 2.452 0.069 1.00 0.00 C ATOM 283 C ALA A 16 -18.456 3.831 -0.593 1.00 0.00 C ATOM 284 O ALA A 16 -18.792 4.808 0.040 1.00 0.00 O ATOM 285 CB ALA A 16 -19.708 1.725 -0.083 1.00 0.00 C ATOM 0 H ALA A 16 -18.832 2.441 2.153 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.585 1.868 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.939 1.605 -1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.645 0.744 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.495 2.307 0.396 1.00 0.00 H new ATOM 291 N GLY A 17 -18.153 3.917 -1.862 1.00 0.00 N ATOM 292 CA GLY A 17 -18.213 5.233 -2.560 1.00 0.00 C ATOM 293 C GLY A 17 -17.533 6.299 -1.700 1.00 0.00 C ATOM 294 O GLY A 17 -17.883 7.461 -1.744 1.00 0.00 O ATOM 0 H GLY A 17 -17.866 3.131 -2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.720 5.165 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.250 5.510 -2.748 1.00 0.00 H new ATOM 298 N PHE A 18 -16.571 5.911 -0.905 1.00 0.00 N ATOM 299 CA PHE A 18 -15.882 6.909 -0.029 1.00 0.00 C ATOM 300 C PHE A 18 -14.452 7.157 -0.513 1.00 0.00 C ATOM 301 O PHE A 18 -14.013 6.613 -1.508 1.00 0.00 O ATOM 302 CB PHE A 18 -15.841 6.389 1.408 1.00 0.00 C ATOM 303 CG PHE A 18 -17.060 6.882 2.143 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.266 7.022 1.457 1.00 0.00 C ATOM 305 CD2 PHE A 18 -16.985 7.197 3.505 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.407 7.478 2.129 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.124 7.653 4.179 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.335 7.793 3.491 1.00 0.00 C ATOM 0 H PHE A 18 -16.233 4.952 -0.823 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.437 7.846 -0.071 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.813 5.299 1.413 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.935 6.733 1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.320 6.778 0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.050 7.088 4.035 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.341 7.586 1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.068 7.897 5.230 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.214 8.144 4.011 1.00 0.00 H new ATOM 318 N THR A 19 -13.726 7.985 0.194 1.00 0.00 N ATOM 319 CA THR A 19 -12.325 8.288 -0.207 1.00 0.00 C ATOM 320 C THR A 19 -11.366 7.915 0.928 1.00 0.00 C ATOM 321 O THR A 19 -11.570 8.277 2.070 1.00 0.00 O ATOM 322 CB THR A 19 -12.200 9.783 -0.510 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.489 10.528 0.665 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.186 10.162 -1.615 1.00 0.00 C ATOM 0 H THR A 19 -14.047 8.465 1.035 1.00 0.00 H new ATOM 0 HA THR A 19 -12.070 7.709 -1.095 1.00 0.00 H new ATOM 0 HB THR A 19 -11.185 10.006 -0.840 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.408 11.486 0.473 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.098 11.227 -1.832 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.962 9.589 -2.515 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.202 9.941 -1.288 1.00 0.00 H new ATOM 332 N HIS A 20 -10.323 7.192 0.622 1.00 0.00 N ATOM 333 CA HIS A 20 -9.349 6.792 1.683 1.00 0.00 C ATOM 334 C HIS A 20 -7.974 7.389 1.376 1.00 0.00 C ATOM 335 O HIS A 20 -7.665 7.714 0.246 1.00 0.00 O ATOM 336 CB HIS A 20 -9.226 5.270 1.707 1.00 0.00 C ATOM 337 CG HIS A 20 -9.140 4.773 3.118 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.213 4.830 3.990 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.118 4.178 3.813 1.00 0.00 C ATOM 340 CE1 HIS A 20 -9.820 4.280 5.150 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.549 3.869 5.099 1.00 0.00 N ATOM 0 H HIS A 20 -10.101 6.860 -0.317 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.702 7.157 2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.086 4.822 1.209 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.340 4.962 1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.131 3.980 3.422 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.454 4.182 6.019 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.011 3.425 5.843 1.00 0.00 H new ATOM 349 N ASN A 21 -7.140 7.517 2.373 1.00 0.00 N ATOM 350 CA ASN A 21 -5.775 8.074 2.140 1.00 0.00 C ATOM 351 C ASN A 21 -4.744 7.106 2.722 1.00 0.00 C ATOM 352 O ASN A 21 -4.275 7.270 3.830 1.00 0.00 O ATOM 353 CB ASN A 21 -5.629 9.445 2.816 1.00 0.00 C ATOM 354 CG ASN A 21 -7.006 10.009 3.178 1.00 0.00 C ATOM 355 OD1 ASN A 21 -7.531 10.856 2.482 1.00 0.00 O ATOM 356 ND2 ASN A 21 -7.615 9.572 4.246 1.00 0.00 N ATOM 0 H ASN A 21 -7.344 7.260 3.339 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.616 8.198 1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.019 9.352 3.715 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.110 10.134 2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.532 9.941 4.497 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.174 8.861 4.830 1.00 0.00 H new ATOM 363 N LEU A 22 -4.400 6.090 1.981 1.00 0.00 N ATOM 364 CA LEU A 22 -3.413 5.091 2.477 1.00 0.00 C ATOM 365 C LEU A 22 -2.026 5.725 2.583 1.00 0.00 C ATOM 366 O LEU A 22 -1.545 6.352 1.659 1.00 0.00 O ATOM 367 CB LEU A 22 -3.366 3.930 1.491 1.00 0.00 C ATOM 368 CG LEU A 22 -2.386 2.866 1.977 1.00 0.00 C ATOM 369 CD1 LEU A 22 -2.880 1.501 1.509 1.00 0.00 C ATOM 370 CD2 LEU A 22 -0.995 3.130 1.390 1.00 0.00 C ATOM 0 H LEU A 22 -4.763 5.908 1.046 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.712 4.740 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.360 3.496 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.065 4.290 0.507 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.323 2.893 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.190 0.728 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.870 1.311 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.933 1.487 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.301 2.367 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.048 3.099 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.646 4.112 1.709 1.00 0.00 H new ATOM 382 N GLU A 23 -1.376 5.556 3.702 1.00 0.00 N ATOM 383 CA GLU A 23 -0.017 6.139 3.873 1.00 0.00 C ATOM 384 C GLU A 23 0.959 5.044 4.315 1.00 0.00 C ATOM 385 O GLU A 23 0.583 4.084 4.959 1.00 0.00 O ATOM 386 CB GLU A 23 -0.065 7.239 4.935 1.00 0.00 C ATOM 387 CG GLU A 23 1.189 8.108 4.829 1.00 0.00 C ATOM 388 CD GLU A 23 1.081 9.281 5.806 1.00 0.00 C ATOM 389 OE1 GLU A 23 0.059 9.947 5.790 1.00 0.00 O ATOM 390 OE2 GLU A 23 2.022 9.493 6.553 1.00 0.00 O ATOM 0 H GLU A 23 -1.729 5.038 4.506 1.00 0.00 H new ATOM 0 HA GLU A 23 0.318 6.562 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.957 7.851 4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.130 6.797 5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.076 7.515 5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.303 8.479 3.810 1.00 0.00 H new ATOM 397 N VAL A 24 2.210 5.185 3.975 1.00 0.00 N ATOM 398 CA VAL A 24 3.221 4.162 4.371 1.00 0.00 C ATOM 399 C VAL A 24 4.603 4.813 4.377 1.00 0.00 C ATOM 400 O VAL A 24 4.864 5.734 3.628 1.00 0.00 O ATOM 401 CB VAL A 24 3.201 3.007 3.368 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.443 2.135 3.562 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.947 2.164 3.596 1.00 0.00 C ATOM 0 H VAL A 24 2.579 5.969 3.437 1.00 0.00 H new ATOM 0 HA VAL A 24 2.990 3.776 5.364 1.00 0.00 H new ATOM 0 HB VAL A 24 3.196 3.406 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.426 1.313 2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.338 2.736 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.451 1.733 4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.928 1.339 2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.955 1.766 4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.061 2.784 3.457 1.00 0.00 H new ATOM 413 N ASP A 25 5.492 4.356 5.216 1.00 0.00 N ATOM 414 CA ASP A 25 6.843 4.979 5.253 1.00 0.00 C ATOM 415 C ASP A 25 7.924 3.924 5.464 1.00 0.00 C ATOM 416 O ASP A 25 7.964 3.248 6.476 1.00 0.00 O ATOM 417 CB ASP A 25 6.900 5.999 6.391 1.00 0.00 C ATOM 418 CG ASP A 25 5.557 6.724 6.494 1.00 0.00 C ATOM 419 OD1 ASP A 25 5.059 7.156 5.468 1.00 0.00 O ATOM 420 OD2 ASP A 25 5.049 6.836 7.598 1.00 0.00 O ATOM 0 H ASP A 25 5.343 3.587 5.870 1.00 0.00 H new ATOM 0 HA ASP A 25 7.023 5.473 4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.128 5.498 7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.700 6.717 6.210 1.00 0.00 H new ATOM 425 N PHE A 26 8.817 3.782 4.519 1.00 0.00 N ATOM 426 CA PHE A 26 9.896 2.781 4.691 1.00 0.00 C ATOM 427 C PHE A 26 11.267 3.457 4.562 1.00 0.00 C ATOM 428 O PHE A 26 11.365 4.633 4.276 1.00 0.00 O ATOM 429 CB PHE A 26 9.724 1.655 3.670 1.00 0.00 C ATOM 430 CG PHE A 26 9.604 2.176 2.258 1.00 0.00 C ATOM 431 CD1 PHE A 26 8.386 2.709 1.808 1.00 0.00 C ATOM 432 CD2 PHE A 26 10.696 2.090 1.385 1.00 0.00 C ATOM 433 CE1 PHE A 26 8.265 3.159 0.490 1.00 0.00 C ATOM 434 CE2 PHE A 26 10.570 2.537 0.064 1.00 0.00 C ATOM 435 CZ PHE A 26 9.355 3.072 -0.382 1.00 0.00 C ATOM 0 H PHE A 26 8.842 4.312 3.648 1.00 0.00 H new ATOM 0 HA PHE A 26 9.835 2.344 5.688 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.575 0.977 3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.835 1.075 3.918 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.543 2.771 2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.633 1.680 1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.329 3.574 0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.410 2.469 -0.611 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.260 3.418 -1.401 1.00 0.00 H new ATOM 445 N ILE A 27 12.328 2.739 4.809 1.00 0.00 N ATOM 446 CA ILE A 27 13.680 3.367 4.727 1.00 0.00 C ATOM 447 C ILE A 27 14.540 2.616 3.712 1.00 0.00 C ATOM 448 O ILE A 27 15.391 1.823 4.061 1.00 0.00 O ATOM 449 CB ILE A 27 14.338 3.334 6.110 1.00 0.00 C ATOM 450 CG1 ILE A 27 13.768 4.473 6.953 1.00 0.00 C ATOM 451 CG2 ILE A 27 15.853 3.518 5.982 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.251 4.323 7.054 1.00 0.00 C ATOM 0 H ILE A 27 12.320 1.751 5.063 1.00 0.00 H new ATOM 0 HA ILE A 27 13.584 4.403 4.402 1.00 0.00 H new ATOM 0 HB ILE A 27 14.136 2.372 6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.212 4.460 7.948 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.020 5.434 6.504 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.308 3.492 6.972 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.267 2.715 5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.064 4.478 5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.844 5.136 7.656 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.815 4.357 6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.010 3.369 7.523 1.00 0.00 H new ATOM 464 N GLY A 28 14.323 2.868 2.456 1.00 0.00 N ATOM 465 CA GLY A 28 15.122 2.178 1.402 1.00 0.00 C ATOM 466 C GLY A 28 15.861 3.214 0.551 1.00 0.00 C ATOM 467 O GLY A 28 15.426 4.340 0.409 1.00 0.00 O ATOM 0 H GLY A 28 13.624 3.525 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.836 1.496 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.467 1.576 0.772 1.00 0.00 H new ATOM 471 N ALA A 29 16.975 2.842 -0.020 1.00 0.00 N ATOM 472 CA ALA A 29 17.740 3.804 -0.864 1.00 0.00 C ATOM 473 C ALA A 29 18.956 3.090 -1.469 1.00 0.00 C ATOM 474 O ALA A 29 19.205 1.941 -1.163 1.00 0.00 O ATOM 475 CB ALA A 29 18.192 4.981 -0.003 1.00 0.00 C ATOM 0 H ALA A 29 17.388 1.913 0.062 1.00 0.00 H new ATOM 0 HA ALA A 29 17.109 4.176 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.752 5.687 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.319 5.480 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.828 4.618 0.804 1.00 0.00 H new ATOM 481 N PRO A 30 19.664 3.780 -2.333 1.00 0.00 N ATOM 482 CA PRO A 30 19.365 5.178 -2.708 1.00 0.00 C ATOM 483 C PRO A 30 18.109 5.266 -3.578 1.00 0.00 C ATOM 484 O PRO A 30 17.726 6.331 -4.020 1.00 0.00 O ATOM 485 CB PRO A 30 20.611 5.619 -3.483 1.00 0.00 C ATOM 486 CG PRO A 30 21.295 4.326 -3.979 1.00 0.00 C ATOM 487 CD PRO A 30 20.826 3.201 -3.038 1.00 0.00 C ATOM 0 HA PRO A 30 19.160 5.810 -1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.340 6.261 -4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.282 6.194 -2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.018 4.111 -5.011 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.380 4.426 -3.955 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.549 2.306 -3.595 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.612 2.912 -2.340 1.00 0.00 H new ATOM 495 N ASP A 31 17.455 4.165 -3.820 1.00 0.00 N ATOM 496 CA ASP A 31 16.221 4.211 -4.649 1.00 0.00 C ATOM 497 C ASP A 31 15.490 2.867 -4.564 1.00 0.00 C ATOM 498 O ASP A 31 15.713 1.989 -5.374 1.00 0.00 O ATOM 499 CB ASP A 31 16.591 4.502 -6.104 1.00 0.00 C ATOM 500 CG ASP A 31 15.782 5.698 -6.607 1.00 0.00 C ATOM 501 OD1 ASP A 31 15.358 6.490 -5.782 1.00 0.00 O ATOM 502 OD2 ASP A 31 15.601 5.802 -7.809 1.00 0.00 O ATOM 0 H ASP A 31 17.720 3.240 -3.481 1.00 0.00 H new ATOM 0 HA ASP A 31 15.567 5.000 -4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.658 4.711 -6.184 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.390 3.628 -6.723 1.00 0.00 H new ATOM 507 N PRO A 32 14.635 2.750 -3.578 1.00 0.00 N ATOM 508 CA PRO A 32 13.846 1.526 -3.347 1.00 0.00 C ATOM 509 C PRO A 32 12.646 1.474 -4.300 1.00 0.00 C ATOM 510 O PRO A 32 12.271 2.465 -4.894 1.00 0.00 O ATOM 511 CB PRO A 32 13.377 1.673 -1.897 1.00 0.00 C ATOM 512 CG PRO A 32 13.429 3.185 -1.572 1.00 0.00 C ATOM 513 CD PRO A 32 14.379 3.827 -2.601 1.00 0.00 C ATOM 0 HA PRO A 32 14.414 0.612 -3.520 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.366 1.284 -1.774 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.020 1.108 -1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.435 3.628 -1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.789 3.350 -0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.923 4.696 -3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.302 4.168 -2.132 1.00 0.00 H new ATOM 521 N THR A 33 12.037 0.327 -4.443 1.00 0.00 N ATOM 522 CA THR A 33 10.859 0.218 -5.349 1.00 0.00 C ATOM 523 C THR A 33 9.657 -0.297 -4.554 1.00 0.00 C ATOM 524 O THR A 33 9.656 -1.409 -4.064 1.00 0.00 O ATOM 525 CB THR A 33 11.174 -0.758 -6.485 1.00 0.00 C ATOM 526 OG1 THR A 33 12.161 -0.189 -7.335 1.00 0.00 O ATOM 527 CG2 THR A 33 9.903 -1.035 -7.289 1.00 0.00 C ATOM 0 H THR A 33 12.305 -0.537 -3.972 1.00 0.00 H new ATOM 0 HA THR A 33 10.630 1.198 -5.768 1.00 0.00 H new ATOM 0 HB THR A 33 11.548 -1.693 -6.069 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.366 -0.813 -8.062 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.128 -1.730 -8.098 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.147 -1.471 -6.636 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.526 -0.102 -7.707 1.00 0.00 H new ATOM 535 N ALA A 34 8.636 0.504 -4.415 1.00 0.00 N ATOM 536 CA ALA A 34 7.441 0.058 -3.644 1.00 0.00 C ATOM 537 C ALA A 34 6.291 -0.255 -4.601 1.00 0.00 C ATOM 538 O ALA A 34 5.691 0.629 -5.180 1.00 0.00 O ATOM 539 CB ALA A 34 7.012 1.164 -2.678 1.00 0.00 C ATOM 0 H ALA A 34 8.578 1.446 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 34 7.695 -0.840 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.138 0.836 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.828 1.381 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.764 2.063 -3.242 1.00 0.00 H new ATOM 545 N THR A 35 5.973 -1.510 -4.766 1.00 0.00 N ATOM 546 CA THR A 35 4.857 -1.886 -5.677 1.00 0.00 C ATOM 547 C THR A 35 3.572 -2.031 -4.858 1.00 0.00 C ATOM 548 O THR A 35 3.546 -2.697 -3.841 1.00 0.00 O ATOM 549 CB THR A 35 5.180 -3.217 -6.360 1.00 0.00 C ATOM 550 OG1 THR A 35 6.427 -3.111 -7.034 1.00 0.00 O ATOM 551 CG2 THR A 35 4.081 -3.557 -7.368 1.00 0.00 C ATOM 0 H THR A 35 6.440 -2.292 -4.308 1.00 0.00 H new ATOM 0 HA THR A 35 4.726 -1.115 -6.436 1.00 0.00 H new ATOM 0 HB THR A 35 5.237 -4.006 -5.610 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.636 -3.963 -7.471 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.313 -4.505 -7.853 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.125 -3.639 -6.850 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.021 -2.770 -8.120 1.00 0.00 H new ATOM 559 N TRP A 36 2.509 -1.409 -5.289 1.00 0.00 N ATOM 560 CA TRP A 36 1.231 -1.508 -4.530 1.00 0.00 C ATOM 561 C TRP A 36 0.386 -2.664 -5.090 1.00 0.00 C ATOM 562 O TRP A 36 -0.275 -2.557 -6.121 1.00 0.00 O ATOM 563 CB TRP A 36 0.478 -0.181 -4.633 1.00 0.00 C ATOM 564 CG TRP A 36 0.945 0.724 -3.531 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.715 1.828 -3.693 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.700 0.610 -2.099 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.941 2.401 -2.456 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.339 1.688 -1.443 1.00 0.00 C ATOM 569 CE3 TRP A 36 -0.009 -0.311 -1.315 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.275 1.845 -0.058 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.073 -0.158 0.080 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.566 0.917 0.705 1.00 0.00 C ATOM 0 H TRP A 36 2.470 -0.837 -6.133 1.00 0.00 H new ATOM 0 HA TRP A 36 1.437 -1.712 -3.479 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.658 0.281 -5.604 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.596 -0.349 -4.554 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.091 2.199 -4.635 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.488 3.250 -2.311 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.509 -1.144 -1.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.770 2.678 0.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.620 -0.876 0.674 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.511 1.029 1.778 1.00 0.00 H new ATOM 583 N THR A 37 0.412 -3.783 -4.422 1.00 0.00 N ATOM 584 CA THR A 37 -0.370 -4.942 -4.914 1.00 0.00 C ATOM 585 C THR A 37 -1.621 -5.132 -4.067 1.00 0.00 C ATOM 586 O THR A 37 -1.846 -4.442 -3.092 1.00 0.00 O ATOM 587 CB THR A 37 0.476 -6.217 -4.864 1.00 0.00 C ATOM 588 OG1 THR A 37 1.641 -5.981 -4.087 1.00 0.00 O ATOM 589 CG2 THR A 37 0.879 -6.628 -6.281 1.00 0.00 C ATOM 0 H THR A 37 0.938 -3.941 -3.563 1.00 0.00 H new ATOM 0 HA THR A 37 -0.660 -4.745 -5.946 1.00 0.00 H new ATOM 0 HB THR A 37 -0.107 -7.019 -4.412 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.400 -5.947 -3.138 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.481 -7.536 -6.239 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.016 -6.813 -6.875 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.460 -5.828 -6.740 1.00 0.00 H new ATOM 597 N VAL A 38 -2.448 -6.056 -4.455 1.00 0.00 N ATOM 598 CA VAL A 38 -3.705 -6.286 -3.709 1.00 0.00 C ATOM 599 C VAL A 38 -3.845 -7.776 -3.356 1.00 0.00 C ATOM 600 O VAL A 38 -4.709 -8.474 -3.843 1.00 0.00 O ATOM 601 CB VAL A 38 -4.853 -5.809 -4.597 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.139 -6.827 -5.697 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.095 -5.589 -3.752 1.00 0.00 C ATOM 0 H VAL A 38 -2.305 -6.664 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.713 -5.735 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.567 -4.868 -5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.960 -6.470 -6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.248 -6.958 -6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.414 -7.781 -5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.912 -5.249 -4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.377 -6.525 -3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.889 -4.836 -2.992 1.00 0.00 H new ATOM 613 N GLY A 39 -2.995 -8.263 -2.496 1.00 0.00 N ATOM 614 CA GLY A 39 -3.067 -9.697 -2.100 1.00 0.00 C ATOM 615 C GLY A 39 -1.654 -10.281 -2.061 1.00 0.00 C ATOM 616 O GLY A 39 -0.677 -9.560 -2.005 1.00 0.00 O ATOM 0 H GLY A 39 -2.251 -7.728 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.540 -9.793 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.683 -10.251 -2.808 1.00 0.00 H new ATOM 620 N ASP A 40 -1.535 -11.579 -2.092 1.00 0.00 N ATOM 621 CA ASP A 40 -0.182 -12.201 -2.059 1.00 0.00 C ATOM 622 C ASP A 40 0.015 -13.064 -3.308 1.00 0.00 C ATOM 623 O ASP A 40 1.123 -13.418 -3.660 1.00 0.00 O ATOM 624 CB ASP A 40 -0.052 -13.074 -0.808 1.00 0.00 C ATOM 625 CG ASP A 40 0.308 -12.195 0.392 1.00 0.00 C ATOM 626 OD1 ASP A 40 0.915 -11.158 0.181 1.00 0.00 O ATOM 627 OD2 ASP A 40 -0.029 -12.575 1.501 1.00 0.00 O ATOM 0 H ASP A 40 -2.315 -12.235 -2.139 1.00 0.00 H new ATOM 0 HA ASP A 40 0.577 -11.419 -2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.988 -13.600 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.715 -13.833 -0.959 1.00 0.00 H new ATOM 632 N SER A 41 -1.051 -13.408 -3.978 1.00 0.00 N ATOM 633 CA SER A 41 -0.927 -14.247 -5.194 1.00 0.00 C ATOM 634 C SER A 41 -0.318 -13.423 -6.331 1.00 0.00 C ATOM 635 O SER A 41 0.139 -13.958 -7.322 1.00 0.00 O ATOM 636 CB SER A 41 -2.311 -14.747 -5.612 1.00 0.00 C ATOM 637 OG SER A 41 -2.228 -15.335 -6.903 1.00 0.00 O ATOM 0 H SER A 41 -2.004 -13.141 -3.731 1.00 0.00 H new ATOM 0 HA SER A 41 -0.281 -15.098 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.680 -15.476 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.021 -13.920 -5.621 1.00 0.00 H new ATOM 0 HG SER A 41 -3.113 -15.658 -7.173 1.00 0.00 H new ATOM 643 N GLY A 42 -0.311 -12.125 -6.199 1.00 0.00 N ATOM 644 CA GLY A 42 0.264 -11.270 -7.275 1.00 0.00 C ATOM 645 C GLY A 42 -0.758 -10.207 -7.680 1.00 0.00 C ATOM 646 O GLY A 42 -0.458 -9.296 -8.427 1.00 0.00 O ATOM 0 H GLY A 42 -0.679 -11.620 -5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.181 -10.795 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.530 -11.881 -8.137 1.00 0.00 H new ATOM 650 N ALA A 43 -1.963 -10.312 -7.189 1.00 0.00 N ATOM 651 CA ALA A 43 -3.000 -9.307 -7.540 1.00 0.00 C ATOM 652 C ALA A 43 -2.410 -7.911 -7.348 1.00 0.00 C ATOM 653 O ALA A 43 -1.379 -7.752 -6.728 1.00 0.00 O ATOM 654 CB ALA A 43 -4.216 -9.491 -6.626 1.00 0.00 C ATOM 0 H ALA A 43 -2.272 -11.052 -6.559 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.314 -9.434 -8.576 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.978 -8.755 -6.882 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.622 -10.494 -6.758 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.914 -9.355 -5.587 1.00 0.00 H new ATOM 660 N ALA A 44 -3.039 -6.895 -7.872 1.00 0.00 N ATOM 661 CA ALA A 44 -2.477 -5.525 -7.701 1.00 0.00 C ATOM 662 C ALA A 44 -3.604 -4.510 -7.520 1.00 0.00 C ATOM 663 O ALA A 44 -4.759 -4.810 -7.747 1.00 0.00 O ATOM 664 CB ALA A 44 -1.652 -5.154 -8.935 1.00 0.00 C ATOM 0 H ALA A 44 -3.907 -6.952 -8.405 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.842 -5.512 -6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.241 -4.152 -8.810 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.837 -5.868 -9.056 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.289 -5.177 -9.819 1.00 0.00 H new ATOM 670 N LEU A 45 -3.285 -3.299 -7.130 1.00 0.00 N ATOM 671 CA LEU A 45 -4.378 -2.285 -6.967 1.00 0.00 C ATOM 672 C LEU A 45 -3.904 -0.920 -7.464 1.00 0.00 C ATOM 673 O LEU A 45 -2.743 -0.577 -7.367 1.00 0.00 O ATOM 674 CB LEU A 45 -4.854 -2.209 -5.504 1.00 0.00 C ATOM 675 CG LEU A 45 -3.805 -1.576 -4.593 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.452 -2.181 -4.877 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.760 -0.063 -4.815 1.00 0.00 C ATOM 0 H LEU A 45 -2.341 -2.973 -6.922 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.231 -2.596 -7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.776 -1.630 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.087 -3.212 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.072 -1.770 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.706 -1.727 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.488 -3.255 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.183 -1.999 -5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.009 0.379 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.504 0.145 -5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.736 0.367 -4.589 1.00 0.00 H new ATOM 689 N ALA A 46 -4.800 -0.145 -8.018 1.00 0.00 N ATOM 690 CA ALA A 46 -4.408 1.190 -8.546 1.00 0.00 C ATOM 691 C ALA A 46 -5.519 1.755 -9.445 1.00 0.00 C ATOM 692 O ALA A 46 -5.972 2.863 -9.234 1.00 0.00 O ATOM 693 CB ALA A 46 -3.119 1.055 -9.360 1.00 0.00 C ATOM 0 H ALA A 46 -5.786 -0.382 -8.126 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.250 1.869 -7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.830 2.032 -9.748 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.325 0.668 -8.722 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.284 0.369 -10.191 1.00 0.00 H new ATOM 699 N PRO A 47 -5.928 0.986 -10.428 1.00 0.00 N ATOM 700 CA PRO A 47 -6.977 1.416 -11.373 1.00 0.00 C ATOM 701 C PRO A 47 -8.341 1.461 -10.682 1.00 0.00 C ATOM 702 O PRO A 47 -9.294 2.005 -11.204 1.00 0.00 O ATOM 703 CB PRO A 47 -6.922 0.366 -12.486 1.00 0.00 C ATOM 704 CG PRO A 47 -6.240 -0.878 -11.877 1.00 0.00 C ATOM 705 CD PRO A 47 -5.409 -0.377 -10.680 1.00 0.00 C ATOM 0 HA PRO A 47 -6.823 2.423 -11.761 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.923 0.125 -12.842 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.360 0.737 -13.343 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.982 -1.609 -11.556 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.604 -1.371 -12.612 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.536 -1.020 -9.809 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.344 -0.362 -10.912 1.00 0.00 H new ATOM 713 N GLU A 48 -8.432 0.926 -9.499 1.00 0.00 N ATOM 714 CA GLU A 48 -9.721 0.973 -8.757 1.00 0.00 C ATOM 715 C GLU A 48 -9.609 2.065 -7.694 1.00 0.00 C ATOM 716 O GLU A 48 -10.358 2.104 -6.737 1.00 0.00 O ATOM 717 CB GLU A 48 -9.981 -0.379 -8.088 1.00 0.00 C ATOM 718 CG GLU A 48 -11.361 -0.370 -7.429 1.00 0.00 C ATOM 719 CD GLU A 48 -12.395 0.188 -8.409 1.00 0.00 C ATOM 720 OE1 GLU A 48 -12.856 -0.569 -9.247 1.00 0.00 O ATOM 721 OE2 GLU A 48 -12.707 1.363 -8.305 1.00 0.00 O ATOM 0 H GLU A 48 -7.668 0.457 -9.012 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.546 1.188 -9.437 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.925 -1.178 -8.827 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.212 -0.581 -7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.638 -1.381 -7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.339 0.237 -6.524 1.00 0.00 H new ATOM 728 N LEU A 49 -8.659 2.948 -7.858 1.00 0.00 N ATOM 729 CA LEU A 49 -8.456 4.037 -6.877 1.00 0.00 C ATOM 730 C LEU A 49 -7.271 4.880 -7.340 1.00 0.00 C ATOM 731 O LEU A 49 -6.887 4.849 -8.492 1.00 0.00 O ATOM 732 CB LEU A 49 -8.154 3.419 -5.515 1.00 0.00 C ATOM 733 CG LEU A 49 -7.004 2.426 -5.662 1.00 0.00 C ATOM 734 CD1 LEU A 49 -6.076 2.534 -4.455 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.572 1.011 -5.743 1.00 0.00 C ATOM 0 H LEU A 49 -8.009 2.955 -8.644 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.345 4.662 -6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.890 4.197 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.039 2.915 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.442 2.649 -6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.256 1.824 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.675 3.546 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.634 2.309 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.755 0.297 -5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.132 0.791 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.235 0.934 -6.605 1.00 0.00 H new ATOM 747 N LEU A 50 -6.681 5.620 -6.458 1.00 0.00 N ATOM 748 CA LEU A 50 -5.506 6.446 -6.849 1.00 0.00 C ATOM 749 C LEU A 50 -4.281 5.890 -6.123 1.00 0.00 C ATOM 750 O LEU A 50 -4.410 5.105 -5.206 1.00 0.00 O ATOM 751 CB LEU A 50 -5.742 7.900 -6.441 1.00 0.00 C ATOM 752 CG LEU A 50 -6.276 8.700 -7.625 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.629 10.115 -7.156 1.00 0.00 C ATOM 754 CD2 LEU A 50 -5.203 8.773 -8.712 1.00 0.00 C ATOM 0 H LEU A 50 -6.958 5.693 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.353 6.411 -7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.451 7.943 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.811 8.341 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.166 8.216 -8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.011 10.692 -7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.390 10.061 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.737 10.600 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.582 9.344 -9.560 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.314 9.262 -8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.947 7.765 -9.039 1.00 0.00 H new ATOM 766 N VAL A 51 -3.095 6.264 -6.518 1.00 0.00 N ATOM 767 CA VAL A 51 -1.897 5.715 -5.821 1.00 0.00 C ATOM 768 C VAL A 51 -0.702 6.653 -5.984 1.00 0.00 C ATOM 769 O VAL A 51 -0.478 7.221 -7.035 1.00 0.00 O ATOM 770 CB VAL A 51 -1.549 4.348 -6.411 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.305 3.793 -5.715 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.722 3.391 -6.193 1.00 0.00 C ATOM 0 H VAL A 51 -2.904 6.915 -7.280 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.125 5.618 -4.760 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.352 4.451 -7.478 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.057 2.818 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.531 4.476 -5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.501 3.688 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.478 2.415 -6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.915 3.289 -5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.610 3.786 -6.686 1.00 0.00 H new ATOM 782 N ASP A 52 0.077 6.804 -4.946 1.00 0.00 N ATOM 783 CA ASP A 52 1.272 7.685 -5.024 1.00 0.00 C ATOM 784 C ASP A 52 2.405 7.039 -4.226 1.00 0.00 C ATOM 785 O ASP A 52 2.181 6.192 -3.384 1.00 0.00 O ATOM 786 CB ASP A 52 0.939 9.056 -4.431 1.00 0.00 C ATOM 787 CG ASP A 52 1.064 10.126 -5.518 1.00 0.00 C ATOM 788 OD1 ASP A 52 0.982 9.771 -6.683 1.00 0.00 O ATOM 789 OD2 ASP A 52 1.241 11.281 -5.168 1.00 0.00 O ATOM 0 H ASP A 52 -0.067 6.351 -4.043 1.00 0.00 H new ATOM 0 HA ASP A 52 1.575 7.814 -6.063 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.072 9.052 -4.024 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.614 9.281 -3.605 1.00 0.00 H new ATOM 794 N ALA A 53 3.622 7.414 -4.479 1.00 0.00 N ATOM 795 CA ALA A 53 4.737 6.795 -3.720 1.00 0.00 C ATOM 796 C ALA A 53 5.978 7.682 -3.805 1.00 0.00 C ATOM 797 O ALA A 53 6.210 8.353 -4.791 1.00 0.00 O ATOM 798 CB ALA A 53 5.030 5.414 -4.301 1.00 0.00 C ATOM 0 H ALA A 53 3.892 8.114 -5.170 1.00 0.00 H new ATOM 0 HA ALA A 53 4.457 6.692 -2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.848 4.953 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.140 4.789 -4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.311 5.512 -5.350 1.00 0.00 H new ATOM 804 N LYS A 54 6.770 7.699 -2.769 1.00 0.00 N ATOM 805 CA LYS A 54 7.990 8.557 -2.780 1.00 0.00 C ATOM 806 C LYS A 54 9.236 7.722 -2.462 1.00 0.00 C ATOM 807 O LYS A 54 9.148 6.611 -1.978 1.00 0.00 O ATOM 808 CB LYS A 54 7.842 9.667 -1.739 1.00 0.00 C ATOM 809 CG LYS A 54 6.634 10.540 -2.088 1.00 0.00 C ATOM 810 CD LYS A 54 5.693 10.615 -0.885 1.00 0.00 C ATOM 811 CE LYS A 54 4.750 11.808 -1.047 1.00 0.00 C ATOM 812 NZ LYS A 54 3.536 11.599 -0.207 1.00 0.00 N ATOM 0 H LYS A 54 6.627 7.158 -1.917 1.00 0.00 H new ATOM 0 HA LYS A 54 8.103 8.993 -3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.716 9.234 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.746 10.275 -1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.964 11.540 -2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.109 10.125 -2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.118 9.693 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.269 10.716 0.035 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.256 12.728 -0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.466 11.922 -2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.894 12.410 -0.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.051 10.730 -0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.815 11.511 0.791 1.00 0.00 H new ATOM 826 N SER A 55 10.390 8.274 -2.751 1.00 0.00 N ATOM 827 CA SER A 55 11.700 7.582 -2.513 1.00 0.00 C ATOM 828 C SER A 55 11.574 6.390 -1.551 1.00 0.00 C ATOM 829 O SER A 55 11.236 5.295 -1.954 1.00 0.00 O ATOM 830 CB SER A 55 12.697 8.589 -1.939 1.00 0.00 C ATOM 831 OG SER A 55 13.875 7.903 -1.534 1.00 0.00 O ATOM 0 H SER A 55 10.482 9.206 -3.155 1.00 0.00 H new ATOM 0 HA SER A 55 12.044 7.191 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.940 9.344 -2.687 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.256 9.112 -1.090 1.00 0.00 H new ATOM 0 HG SER A 55 14.518 8.545 -1.167 1.00 0.00 H new ATOM 837 N SER A 56 11.882 6.581 -0.294 1.00 0.00 N ATOM 838 CA SER A 56 11.823 5.443 0.672 1.00 0.00 C ATOM 839 C SER A 56 10.450 5.349 1.343 1.00 0.00 C ATOM 840 O SER A 56 10.276 4.636 2.305 1.00 0.00 O ATOM 841 CB SER A 56 12.888 5.655 1.747 1.00 0.00 C ATOM 842 OG SER A 56 12.922 7.029 2.111 1.00 0.00 O ATOM 0 H SER A 56 12.171 7.474 0.105 1.00 0.00 H new ATOM 0 HA SER A 56 12.000 4.517 0.125 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.667 5.041 2.620 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.864 5.341 1.375 1.00 0.00 H new ATOM 0 HG SER A 56 13.603 7.168 2.802 1.00 0.00 H new ATOM 848 N THR A 57 9.471 6.044 0.858 1.00 0.00 N ATOM 849 CA THR A 57 8.131 5.957 1.505 1.00 0.00 C ATOM 850 C THR A 57 7.073 5.871 0.420 1.00 0.00 C ATOM 851 O THR A 57 7.385 5.750 -0.744 1.00 0.00 O ATOM 852 CB THR A 57 7.890 7.215 2.341 1.00 0.00 C ATOM 853 OG1 THR A 57 6.724 7.055 3.134 1.00 0.00 O ATOM 854 CG2 THR A 57 7.694 8.397 1.405 1.00 0.00 C ATOM 0 H THR A 57 9.532 6.664 0.051 1.00 0.00 H new ATOM 0 HA THR A 57 8.084 5.078 2.148 1.00 0.00 H new ATOM 0 HB THR A 57 8.747 7.385 2.993 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.577 7.864 3.667 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.521 9.300 1.991 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.586 8.527 0.792 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.834 8.212 0.761 1.00 0.00 H new ATOM 862 N THR A 58 5.826 5.953 0.779 1.00 0.00 N ATOM 863 CA THR A 58 4.780 5.903 -0.263 1.00 0.00 C ATOM 864 C THR A 58 3.394 5.993 0.367 1.00 0.00 C ATOM 865 O THR A 58 3.207 5.735 1.539 1.00 0.00 O ATOM 866 CB THR A 58 4.888 4.592 -1.041 1.00 0.00 C ATOM 867 OG1 THR A 58 3.985 4.621 -2.133 1.00 0.00 O ATOM 868 CG2 THR A 58 4.533 3.425 -0.124 1.00 0.00 C ATOM 0 H THR A 58 5.492 6.051 1.738 1.00 0.00 H new ATOM 0 HA THR A 58 4.924 6.748 -0.936 1.00 0.00 H new ATOM 0 HB THR A 58 5.907 4.469 -1.409 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.151 3.851 -2.716 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.610 2.490 -0.679 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.222 3.404 0.721 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.514 3.547 0.242 1.00 0.00 H new ATOM 876 N SER A 59 2.420 6.340 -0.421 1.00 0.00 N ATOM 877 CA SER A 59 1.030 6.434 0.090 1.00 0.00 C ATOM 878 C SER A 59 0.095 6.366 -1.100 1.00 0.00 C ATOM 879 O SER A 59 0.390 6.870 -2.164 1.00 0.00 O ATOM 880 CB SER A 59 0.831 7.750 0.843 1.00 0.00 C ATOM 881 OG SER A 59 1.285 8.827 0.034 1.00 0.00 O ATOM 0 H SER A 59 2.530 6.565 -1.410 1.00 0.00 H new ATOM 0 HA SER A 59 0.824 5.617 0.782 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.222 7.885 1.091 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.380 7.730 1.784 1.00 0.00 H new ATOM 0 HG SER A 59 1.157 9.672 0.513 1.00 0.00 H new ATOM 887 N ILE A 60 -1.015 5.720 -0.960 1.00 0.00 N ATOM 888 CA ILE A 60 -1.905 5.609 -2.129 1.00 0.00 C ATOM 889 C ILE A 60 -3.320 6.062 -1.773 1.00 0.00 C ATOM 890 O ILE A 60 -3.671 6.225 -0.621 1.00 0.00 O ATOM 891 CB ILE A 60 -1.828 4.170 -2.648 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.662 3.229 -1.780 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.361 3.718 -2.589 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.549 1.806 -2.333 1.00 0.00 C ATOM 0 H ILE A 60 -1.340 5.272 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.587 6.273 -2.933 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.215 4.138 -3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.312 3.260 -0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.704 3.548 -1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.281 2.694 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.247 4.374 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.007 3.765 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.142 1.129 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.919 1.784 -3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.506 1.491 -2.317 1.00 0.00 H new ATOM 906 N PHE A 61 -4.090 6.371 -2.776 1.00 0.00 N ATOM 907 CA PHE A 61 -5.446 6.942 -2.549 1.00 0.00 C ATOM 908 C PHE A 61 -6.594 5.976 -2.851 1.00 0.00 C ATOM 909 O PHE A 61 -6.460 5.028 -3.598 1.00 0.00 O ATOM 910 CB PHE A 61 -5.568 8.115 -3.499 1.00 0.00 C ATOM 911 CG PHE A 61 -5.253 9.384 -2.785 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.069 9.496 -2.059 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.141 10.451 -2.861 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.768 10.685 -1.403 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.851 11.642 -2.208 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.660 11.767 -1.473 1.00 0.00 C ATOM 0 H PHE A 61 -3.835 6.251 -3.756 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.533 7.201 -1.494 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.889 7.984 -4.341 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.577 8.159 -3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.386 8.661 -2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.055 10.354 -3.427 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.850 10.776 -0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.540 12.471 -2.265 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.432 12.692 -0.964 1.00 0.00 H new ATOM 926 N PHE A 62 -7.746 6.273 -2.287 1.00 0.00 N ATOM 927 CA PHE A 62 -8.973 5.454 -2.527 1.00 0.00 C ATOM 928 C PHE A 62 -10.195 6.381 -2.585 1.00 0.00 C ATOM 929 O PHE A 62 -11.192 6.091 -1.958 1.00 0.00 O ATOM 930 CB PHE A 62 -9.240 4.495 -1.367 1.00 0.00 C ATOM 931 CG PHE A 62 -8.113 3.519 -1.150 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.829 3.972 -0.835 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.372 2.147 -1.239 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.801 3.049 -0.613 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.346 1.226 -1.019 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.059 1.676 -0.707 1.00 0.00 C ATOM 0 H PHE A 62 -7.885 7.065 -1.659 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.815 4.903 -3.454 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.398 5.070 -0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.160 3.944 -1.561 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.631 5.031 -0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.366 1.800 -1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.808 3.396 -0.369 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.546 0.167 -1.090 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.264 0.964 -0.539 1.00 0.00 H new ATOM 946 N PRO A 63 -10.103 7.457 -3.323 1.00 0.00 N ATOM 947 CA PRO A 63 -11.221 8.411 -3.457 1.00 0.00 C ATOM 948 C PRO A 63 -12.401 7.732 -4.146 1.00 0.00 C ATOM 949 O PRO A 63 -13.509 8.229 -4.155 1.00 0.00 O ATOM 950 CB PRO A 63 -10.630 9.548 -4.297 1.00 0.00 C ATOM 951 CG PRO A 63 -9.417 8.937 -5.024 1.00 0.00 C ATOM 952 CD PRO A 63 -8.909 7.820 -4.100 1.00 0.00 C ATOM 0 HA PRO A 63 -11.608 8.777 -2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.362 9.931 -5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.329 10.385 -3.667 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.701 8.542 -5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.644 9.686 -5.197 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.525 6.972 -4.667 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.100 8.166 -3.457 1.00 0.00 H new ATOM 960 N SER A 64 -12.163 6.583 -4.701 1.00 0.00 N ATOM 961 CA SER A 64 -13.254 5.829 -5.374 1.00 0.00 C ATOM 962 C SER A 64 -13.374 4.448 -4.724 1.00 0.00 C ATOM 963 O SER A 64 -13.435 3.441 -5.402 1.00 0.00 O ATOM 964 CB SER A 64 -12.924 5.666 -6.859 1.00 0.00 C ATOM 965 OG SER A 64 -14.062 6.016 -7.635 1.00 0.00 O ATOM 0 H SER A 64 -11.251 6.127 -4.719 1.00 0.00 H new ATOM 0 HA SER A 64 -14.195 6.371 -5.273 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.078 6.299 -7.127 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.630 4.637 -7.067 1.00 0.00 H new ATOM 0 HG SER A 64 -13.853 5.914 -8.587 1.00 0.00 H new ATOM 971 N ALA A 65 -13.398 4.382 -3.414 1.00 0.00 N ATOM 972 CA ALA A 65 -13.502 3.054 -2.749 1.00 0.00 C ATOM 973 C ALA A 65 -14.964 2.637 -2.642 1.00 0.00 C ATOM 974 O ALA A 65 -15.835 3.438 -2.349 1.00 0.00 O ATOM 975 CB ALA A 65 -12.903 3.113 -1.348 1.00 0.00 C ATOM 0 H ALA A 65 -13.350 5.184 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.953 2.328 -3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.987 2.135 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.852 3.396 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.441 3.851 -0.753 1.00 0.00 H new ATOM 981 N LYS A 66 -15.222 1.378 -2.865 1.00 0.00 N ATOM 982 CA LYS A 66 -16.614 0.852 -2.783 1.00 0.00 C ATOM 983 C LYS A 66 -16.579 -0.579 -2.247 1.00 0.00 C ATOM 984 O LYS A 66 -15.526 -1.155 -2.066 1.00 0.00 O ATOM 985 CB LYS A 66 -17.245 0.858 -4.177 1.00 0.00 C ATOM 986 CG LYS A 66 -17.702 2.275 -4.529 1.00 0.00 C ATOM 987 CD LYS A 66 -17.997 2.358 -6.027 1.00 0.00 C ATOM 988 CE LYS A 66 -19.496 2.579 -6.241 1.00 0.00 C ATOM 989 NZ LYS A 66 -20.064 1.429 -7.000 1.00 0.00 N ATOM 0 H LYS A 66 -14.517 0.681 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.204 1.480 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.525 0.504 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.093 0.174 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.593 2.534 -3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.930 2.995 -4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.431 3.174 -6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.680 1.440 -6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.001 2.679 -5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.663 3.507 -6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.083 1.579 -7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.590 1.354 -7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.916 0.551 -6.462 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.717 -1.158 -1.984 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.732 -2.550 -1.454 1.00 0.00 C ATOM 1005 C ARG A 67 -16.789 -3.427 -2.285 1.00 0.00 C ATOM 1006 O ARG A 67 -16.067 -4.251 -1.758 1.00 0.00 O ATOM 1007 CB ARG A 67 -19.166 -3.108 -1.490 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.534 -3.597 -2.897 1.00 0.00 C ATOM 1009 CD ARG A 67 -19.835 -2.399 -3.802 1.00 0.00 C ATOM 1010 NE ARG A 67 -21.197 -2.548 -4.386 1.00 0.00 N ATOM 1011 CZ ARG A 67 -21.392 -3.360 -5.389 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -20.489 -4.252 -5.690 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -22.489 -3.278 -6.091 1.00 0.00 N ATOM 0 H ARG A 67 -18.634 -0.730 -2.112 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.388 -2.550 -0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.257 -3.930 -0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.868 -2.336 -1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.715 -4.182 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -20.402 -4.254 -2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -19.772 -1.473 -3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -19.092 -2.334 -4.597 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.978 -2.015 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -19.631 -4.315 -5.142 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -20.641 -4.887 -6.474 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -23.194 -2.579 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -22.641 -3.913 -6.875 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.786 -3.257 -3.579 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.897 -4.080 -4.437 1.00 0.00 C ATOM 1029 C ALA A 68 -14.434 -3.812 -4.077 1.00 0.00 C ATOM 1030 O ALA A 68 -13.618 -4.712 -4.044 1.00 0.00 O ATOM 1031 CB ALA A 68 -16.133 -3.722 -5.906 1.00 0.00 C ATOM 0 H ALA A 68 -17.364 -2.580 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.119 -5.135 -4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.481 -4.326 -6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -17.173 -3.919 -6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.914 -2.666 -6.063 1.00 0.00 H new ATOM 1037 N ASP A 69 -14.096 -2.581 -3.811 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.686 -2.254 -3.458 1.00 0.00 C ATOM 1039 C ASP A 69 -12.233 -3.114 -2.275 1.00 0.00 C ATOM 1040 O ASP A 69 -11.054 -3.264 -2.023 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.587 -0.774 -3.081 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.116 -0.369 -2.975 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -10.437 -0.406 -3.988 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -10.693 -0.028 -1.883 1.00 0.00 O ATOM 0 H ASP A 69 -14.736 -1.787 -3.823 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.044 -2.458 -4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.090 -0.163 -3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.093 -0.595 -2.132 1.00 0.00 H new ATOM 1049 N SER A 70 -13.156 -3.682 -1.546 1.00 0.00 N ATOM 1050 CA SER A 70 -12.763 -4.529 -0.383 1.00 0.00 C ATOM 1051 C SER A 70 -11.770 -5.601 -0.843 1.00 0.00 C ATOM 1052 O SER A 70 -12.145 -6.587 -1.446 1.00 0.00 O ATOM 1053 CB SER A 70 -14.007 -5.204 0.197 1.00 0.00 C ATOM 1054 OG SER A 70 -13.610 -6.304 1.005 1.00 0.00 O ATOM 0 H SER A 70 -14.160 -3.597 -1.704 1.00 0.00 H new ATOM 0 HA SER A 70 -12.297 -3.905 0.380 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.579 -4.490 0.790 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.658 -5.545 -0.608 1.00 0.00 H new ATOM 0 HG SER A 70 -14.405 -6.738 1.380 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.505 -5.417 -0.567 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.497 -6.430 -0.995 1.00 0.00 C ATOM 1062 C GLY A 71 -8.288 -6.403 -0.052 1.00 0.00 C ATOM 1063 O GLY A 71 -8.270 -5.698 0.941 1.00 0.00 O ATOM 0 H GLY A 71 -10.128 -4.612 -0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.946 -7.423 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.176 -6.226 -2.016 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.271 -7.166 -0.361 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.063 -7.188 0.506 1.00 0.00 C ATOM 1069 C ASN A 72 -4.964 -6.361 -0.155 1.00 0.00 C ATOM 1070 O ASN A 72 -4.234 -6.841 -0.996 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.585 -8.632 0.678 1.00 0.00 C ATOM 1072 CG ASN A 72 -4.887 -8.783 2.031 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -5.324 -9.544 2.872 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -3.812 -8.085 2.279 1.00 0.00 N ATOM 0 H ASN A 72 -7.228 -7.774 -1.179 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.301 -6.770 1.484 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.431 -9.316 0.616 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.900 -8.898 -0.128 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.339 -8.178 3.178 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.445 -7.446 1.574 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.844 -5.119 0.212 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.796 -4.261 -0.400 1.00 0.00 C ATOM 1083 C TYR A 73 -2.427 -4.669 0.144 1.00 0.00 C ATOM 1084 O TYR A 73 -2.038 -4.284 1.226 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.089 -2.796 -0.065 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.140 -2.285 -1.020 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.286 -3.051 -1.269 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -4.961 -1.063 -1.675 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.252 -2.593 -2.170 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -5.927 -0.608 -2.583 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.072 -1.373 -2.828 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.024 -0.926 -3.722 1.00 0.00 O ATOM 0 H TYR A 73 -5.428 -4.660 0.911 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.795 -4.385 -1.483 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.437 -2.705 0.964 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.180 -2.200 -0.148 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.423 -3.996 -0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.079 -0.470 -1.482 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.138 -3.182 -2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.787 0.333 -3.094 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.910 -1.236 -3.439 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.697 -5.454 -0.601 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.356 -5.898 -0.127 1.00 0.00 C ATOM 1104 C LYS A 74 0.729 -5.093 -0.837 1.00 0.00 C ATOM 1105 O LYS A 74 0.885 -5.169 -2.038 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.172 -7.386 -0.438 1.00 0.00 C ATOM 1107 CG LYS A 74 1.197 -7.848 0.066 1.00 0.00 C ATOM 1108 CD LYS A 74 1.249 -7.727 1.590 1.00 0.00 C ATOM 1109 CE LYS A 74 2.073 -8.880 2.167 1.00 0.00 C ATOM 1110 NZ LYS A 74 3.311 -9.061 1.357 1.00 0.00 N ATOM 0 H LYS A 74 -1.972 -5.807 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.281 -5.738 0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.962 -7.968 0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.253 -7.557 -1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.377 -8.881 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.985 -7.244 -0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.691 -6.772 1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.240 -7.746 2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.332 -8.672 3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.486 -9.798 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.076 -9.414 1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.131 -9.746 0.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.591 -8.149 0.943 1.00 0.00 H new ATOM 1124 N LEU A 75 1.479 -4.319 -0.104 1.00 0.00 N ATOM 1125 CA LEU A 75 2.551 -3.503 -0.738 1.00 0.00 C ATOM 1126 C LEU A 75 3.907 -4.177 -0.513 1.00 0.00 C ATOM 1127 O LEU A 75 4.147 -4.789 0.507 1.00 0.00 O ATOM 1128 CB LEU A 75 2.542 -2.105 -0.107 1.00 0.00 C ATOM 1129 CG LEU A 75 3.851 -1.370 -0.400 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.569 -0.102 -1.203 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.516 -0.991 0.923 1.00 0.00 C ATOM 0 H LEU A 75 1.396 -4.216 0.907 1.00 0.00 H new ATOM 0 HA LEU A 75 2.377 -3.419 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.702 -1.530 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.399 -2.188 0.970 1.00 0.00 H new ATOM 0 HG LEU A 75 4.509 -2.020 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.506 0.415 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.088 -0.367 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.911 0.552 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.450 -0.466 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.850 -0.342 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.722 -1.894 1.498 1.00 0.00 H new ATOM 1143 N LYS A 76 4.798 -4.066 -1.461 1.00 0.00 N ATOM 1144 CA LYS A 76 6.140 -4.691 -1.302 1.00 0.00 C ATOM 1145 C LYS A 76 7.215 -3.680 -1.712 1.00 0.00 C ATOM 1146 O LYS A 76 7.385 -3.381 -2.877 1.00 0.00 O ATOM 1147 CB LYS A 76 6.233 -5.932 -2.193 1.00 0.00 C ATOM 1148 CG LYS A 76 4.959 -6.766 -2.038 1.00 0.00 C ATOM 1149 CD LYS A 76 4.764 -7.638 -3.279 1.00 0.00 C ATOM 1150 CE LYS A 76 5.072 -9.096 -2.933 1.00 0.00 C ATOM 1151 NZ LYS A 76 4.097 -9.987 -3.623 1.00 0.00 N ATOM 0 H LYS A 76 4.653 -3.568 -2.340 1.00 0.00 H new ATOM 0 HA LYS A 76 6.291 -4.983 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.363 -5.637 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.105 -6.526 -1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.028 -7.392 -1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.098 -6.112 -1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.740 -7.548 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.418 -7.298 -4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.088 -9.346 -3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.017 -9.245 -1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.306 -10.978 -3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.133 -9.753 -3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.171 -9.852 -4.652 1.00 0.00 H new ATOM 1165 N VAL A 77 7.940 -3.146 -0.765 1.00 0.00 N ATOM 1166 CA VAL A 77 8.996 -2.151 -1.113 1.00 0.00 C ATOM 1167 C VAL A 77 10.372 -2.773 -0.886 1.00 0.00 C ATOM 1168 O VAL A 77 10.679 -3.258 0.182 1.00 0.00 O ATOM 1169 CB VAL A 77 8.821 -0.884 -0.259 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.345 -0.708 0.069 1.00 0.00 C ATOM 1171 CG2 VAL A 77 9.607 -0.990 1.051 1.00 0.00 C ATOM 0 H VAL A 77 7.848 -3.354 0.229 1.00 0.00 H new ATOM 0 HA VAL A 77 8.907 -1.871 -2.163 1.00 0.00 H new ATOM 0 HB VAL A 77 9.197 -0.031 -0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.211 0.188 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.776 -0.610 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.989 -1.577 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.465 -0.081 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.249 -1.847 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.667 -1.118 0.830 1.00 0.00 H new ATOM 1181 N LYS A 78 11.194 -2.766 -1.892 1.00 0.00 N ATOM 1182 CA LYS A 78 12.552 -3.369 -1.753 1.00 0.00 C ATOM 1183 C LYS A 78 13.625 -2.360 -2.165 1.00 0.00 C ATOM 1184 O LYS A 78 13.365 -1.185 -2.324 1.00 0.00 O ATOM 1185 CB LYS A 78 12.649 -4.601 -2.653 1.00 0.00 C ATOM 1186 CG LYS A 78 12.392 -4.194 -4.105 1.00 0.00 C ATOM 1187 CD LYS A 78 12.851 -5.316 -5.039 1.00 0.00 C ATOM 1188 CE LYS A 78 11.798 -6.425 -5.063 1.00 0.00 C ATOM 1189 NZ LYS A 78 12.351 -7.619 -5.762 1.00 0.00 N ATOM 0 H LYS A 78 10.988 -2.369 -2.809 1.00 0.00 H new ATOM 0 HA LYS A 78 12.711 -3.651 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.636 -5.055 -2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.922 -5.351 -2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.331 -3.993 -4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.927 -3.273 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.006 -4.925 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.807 -5.716 -4.702 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.508 -6.688 -4.046 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.899 -6.077 -5.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.636 -8.374 -5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.607 -7.363 -6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.197 -7.955 -5.259 1.00 0.00 H new ATOM 1203 N ASN A 79 14.835 -2.820 -2.337 1.00 0.00 N ATOM 1204 CA ASN A 79 15.940 -1.904 -2.739 1.00 0.00 C ATOM 1205 C ASN A 79 17.238 -2.703 -2.892 1.00 0.00 C ATOM 1206 O ASN A 79 17.801 -3.180 -1.927 1.00 0.00 O ATOM 1207 CB ASN A 79 16.131 -0.830 -1.668 1.00 0.00 C ATOM 1208 CG ASN A 79 17.389 -0.018 -1.982 1.00 0.00 C ATOM 1209 OD1 ASN A 79 18.460 -0.322 -1.497 1.00 0.00 O ATOM 1210 ND2 ASN A 79 17.302 1.009 -2.781 1.00 0.00 N ATOM 0 H ASN A 79 15.106 -3.796 -2.216 1.00 0.00 H new ATOM 0 HA ASN A 79 15.688 -1.431 -3.688 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.261 -0.175 -1.635 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.219 -1.293 -0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.134 1.558 -2.999 1.00 0.00 H new ATOM 0 HD22 ASN A 79 16.402 1.264 -3.188 1.00 0.00 H new ATOM 1217 N GLU A 80 17.718 -2.847 -4.097 1.00 0.00 N ATOM 1218 CA GLU A 80 18.981 -3.609 -4.314 1.00 0.00 C ATOM 1219 C GLU A 80 18.831 -5.030 -3.760 1.00 0.00 C ATOM 1220 O GLU A 80 18.317 -5.910 -4.422 1.00 0.00 O ATOM 1221 CB GLU A 80 20.133 -2.895 -3.606 1.00 0.00 C ATOM 1222 CG GLU A 80 21.410 -3.727 -3.739 1.00 0.00 C ATOM 1223 CD GLU A 80 21.693 -3.994 -5.218 1.00 0.00 C ATOM 1224 OE1 GLU A 80 22.183 -3.093 -5.879 1.00 0.00 O ATOM 1225 OE2 GLU A 80 21.416 -5.095 -5.665 1.00 0.00 O ATOM 0 H GLU A 80 17.289 -2.469 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 80 19.192 -3.665 -5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.284 -1.907 -4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 80 19.891 -2.747 -2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.249 -3.199 -3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.300 -4.670 -3.203 1.00 0.00 H new ATOM 1232 N LEU A 81 19.278 -5.268 -2.555 1.00 0.00 N ATOM 1233 CA LEU A 81 19.158 -6.637 -1.976 1.00 0.00 C ATOM 1234 C LEU A 81 18.251 -6.596 -0.748 1.00 0.00 C ATOM 1235 O LEU A 81 17.760 -7.608 -0.288 1.00 0.00 O ATOM 1236 CB LEU A 81 20.543 -7.149 -1.575 1.00 0.00 C ATOM 1237 CG LEU A 81 21.259 -7.705 -2.806 1.00 0.00 C ATOM 1238 CD1 LEU A 81 22.619 -7.021 -2.958 1.00 0.00 C ATOM 1239 CD2 LEU A 81 21.463 -9.212 -2.639 1.00 0.00 C ATOM 0 H LEU A 81 19.719 -4.576 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 81 18.728 -7.307 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.128 -6.341 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.449 -7.924 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 81 20.656 -7.515 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 81 23.130 -7.417 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.475 -5.947 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 81 23.223 -7.211 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 81 21.973 -9.609 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 81 22.066 -9.401 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 81 20.495 -9.700 -2.530 1.00 0.00 H new ATOM 1251 N GLY A 82 18.021 -5.432 -0.220 1.00 0.00 N ATOM 1252 CA GLY A 82 17.139 -5.315 0.976 1.00 0.00 C ATOM 1253 C GLY A 82 15.681 -5.276 0.521 1.00 0.00 C ATOM 1254 O GLY A 82 15.288 -4.429 -0.255 1.00 0.00 O ATOM 0 H GLY A 82 18.405 -4.552 -0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.301 -6.159 1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.382 -4.412 1.536 1.00 0.00 H new ATOM 1258 N GLU A 83 14.875 -6.190 0.986 1.00 0.00 N ATOM 1259 CA GLU A 83 13.447 -6.198 0.563 1.00 0.00 C ATOM 1260 C GLU A 83 12.542 -5.962 1.772 1.00 0.00 C ATOM 1261 O GLU A 83 12.899 -6.244 2.898 1.00 0.00 O ATOM 1262 CB GLU A 83 13.111 -7.550 -0.070 1.00 0.00 C ATOM 1263 CG GLU A 83 13.170 -8.644 0.997 1.00 0.00 C ATOM 1264 CD GLU A 83 12.644 -9.957 0.413 1.00 0.00 C ATOM 1265 OE1 GLU A 83 11.436 -10.108 0.341 1.00 0.00 O ATOM 1266 OE2 GLU A 83 13.459 -10.789 0.048 1.00 0.00 O ATOM 0 H GLU A 83 15.142 -6.928 1.637 1.00 0.00 H new ATOM 0 HA GLU A 83 13.285 -5.402 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.117 -7.517 -0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.814 -7.772 -0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.195 -8.773 1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.574 -8.355 1.863 1.00 0.00 H new ATOM 1273 N ASP A 84 11.371 -5.437 1.539 1.00 0.00 N ATOM 1274 CA ASP A 84 10.429 -5.167 2.652 1.00 0.00 C ATOM 1275 C ASP A 84 9.003 -5.146 2.096 1.00 0.00 C ATOM 1276 O ASP A 84 8.803 -5.053 0.902 1.00 0.00 O ATOM 1277 CB ASP A 84 10.765 -3.813 3.261 1.00 0.00 C ATOM 1278 CG ASP A 84 11.122 -3.996 4.738 1.00 0.00 C ATOM 1279 OD1 ASP A 84 10.222 -4.266 5.516 1.00 0.00 O ATOM 1280 OD2 ASP A 84 12.290 -3.862 5.065 1.00 0.00 O ATOM 0 H ASP A 84 11.026 -5.182 0.613 1.00 0.00 H new ATOM 0 HA ASP A 84 10.510 -5.940 3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.600 -3.359 2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.916 -3.136 3.161 1.00 0.00 H new ATOM 1285 N GLU A 85 8.008 -5.233 2.941 1.00 0.00 N ATOM 1286 CA GLU A 85 6.606 -5.226 2.433 1.00 0.00 C ATOM 1287 C GLU A 85 5.641 -4.855 3.560 1.00 0.00 C ATOM 1288 O GLU A 85 5.834 -5.218 4.704 1.00 0.00 O ATOM 1289 CB GLU A 85 6.238 -6.623 1.921 1.00 0.00 C ATOM 1290 CG GLU A 85 7.294 -7.120 0.931 1.00 0.00 C ATOM 1291 CD GLU A 85 6.852 -8.464 0.350 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.156 -9.187 1.043 1.00 0.00 O ATOM 1293 OE2 GLU A 85 7.217 -8.747 -0.779 1.00 0.00 O ATOM 0 H GLU A 85 8.106 -5.308 3.954 1.00 0.00 H new ATOM 0 HA GLU A 85 6.531 -4.496 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.160 -7.316 2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.261 -6.595 1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.430 -6.392 0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.256 -7.226 1.432 1.00 0.00 H new ATOM 1300 N ALA A 86 4.590 -4.153 3.239 1.00 0.00 N ATOM 1301 CA ALA A 86 3.594 -3.777 4.277 1.00 0.00 C ATOM 1302 C ALA A 86 2.236 -4.371 3.896 1.00 0.00 C ATOM 1303 O ALA A 86 1.647 -4.008 2.895 1.00 0.00 O ATOM 1304 CB ALA A 86 3.480 -2.254 4.358 1.00 0.00 C ATOM 0 H ALA A 86 4.378 -3.823 2.297 1.00 0.00 H new ATOM 0 HA ALA A 86 3.911 -4.162 5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.749 -1.984 5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.450 -1.830 4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.160 -1.861 3.393 1.00 0.00 H new ATOM 1310 N ILE A 87 1.739 -5.289 4.678 1.00 0.00 N ATOM 1311 CA ILE A 87 0.425 -5.911 4.355 1.00 0.00 C ATOM 1312 C ILE A 87 -0.706 -4.978 4.789 1.00 0.00 C ATOM 1313 O ILE A 87 -0.730 -4.487 5.900 1.00 0.00 O ATOM 1314 CB ILE A 87 0.296 -7.243 5.096 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.109 -7.810 4.882 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.533 -7.021 6.591 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -1.298 -9.051 5.756 1.00 0.00 C ATOM 0 H ILE A 87 2.186 -5.635 5.527 1.00 0.00 H new ATOM 0 HA ILE A 87 0.361 -6.082 3.280 1.00 0.00 H new ATOM 0 HB ILE A 87 1.035 -7.946 4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.858 -7.059 5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.253 -8.066 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.441 -7.970 7.119 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.533 -6.616 6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.206 -6.319 6.976 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.299 -9.455 5.603 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.558 -9.804 5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.172 -8.780 6.804 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.646 -4.732 3.918 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.780 -3.834 4.275 1.00 0.00 C ATOM 1331 C PHE A 88 -4.099 -4.486 3.859 1.00 0.00 C ATOM 1332 O PHE A 88 -4.495 -4.421 2.714 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.639 -2.500 3.534 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.399 -1.776 3.997 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -1.333 -1.257 5.294 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.317 -1.616 3.123 1.00 0.00 C ATOM 1337 CE1 PHE A 88 -0.184 -0.579 5.719 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.831 -0.938 3.547 1.00 0.00 C ATOM 1339 CZ PHE A 88 0.897 -0.420 4.845 1.00 0.00 C ATOM 0 H PHE A 88 -1.677 -5.115 2.973 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.770 -3.662 5.351 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.586 -2.676 2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.518 -1.881 3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.168 -1.379 5.968 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.369 -2.016 2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.132 -0.179 6.721 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.666 -0.815 2.873 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.783 0.103 5.173 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.801 -5.093 4.776 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.103 -5.715 4.408 1.00 0.00 C ATOM 1351 C GLU A 89 -7.139 -4.599 4.331 1.00 0.00 C ATOM 1352 O GLU A 89 -7.570 -4.082 5.337 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.513 -6.729 5.480 1.00 0.00 C ATOM 1354 CG GLU A 89 -6.577 -8.128 4.865 1.00 0.00 C ATOM 1355 CD GLU A 89 -7.275 -9.081 5.836 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -6.895 -9.096 6.996 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -8.177 -9.778 5.405 1.00 0.00 O ATOM 0 H GLU A 89 -4.532 -5.185 5.756 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.025 -6.234 3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.797 -6.714 6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.483 -6.460 5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.117 -8.096 3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.571 -8.487 4.646 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.520 -4.193 3.151 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.496 -3.075 3.045 1.00 0.00 C ATOM 1366 C VAL A 90 -9.913 -3.609 2.853 1.00 0.00 C ATOM 1367 O VAL A 90 -10.183 -4.391 1.963 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.115 -2.189 1.859 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -8.924 -0.892 1.908 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.622 -1.862 1.935 1.00 0.00 C ATOM 0 H VAL A 90 -7.201 -4.583 2.264 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.470 -2.495 3.968 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.329 -2.713 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.652 -0.261 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.988 -1.125 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.710 -0.365 2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.345 -1.230 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.412 -1.337 2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.045 -2.786 1.901 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.824 -3.174 3.679 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.232 -3.630 3.546 1.00 0.00 C ATOM 1382 C ILE A 91 -13.127 -2.412 3.323 1.00 0.00 C ATOM 1383 O ILE A 91 -12.722 -1.283 3.534 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.674 -4.354 4.816 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -11.968 -5.709 4.906 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.186 -4.569 4.762 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -11.786 -6.095 6.375 1.00 0.00 C ATOM 0 H ILE A 91 -10.651 -2.520 4.442 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.311 -4.316 2.702 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.416 -3.757 5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.552 -6.470 4.389 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.999 -5.659 4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.513 -5.086 5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.689 -3.604 4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.437 -5.171 3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.283 -7.060 6.438 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.184 -5.338 6.878 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -12.761 -6.162 6.857 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.337 -2.628 2.889 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.246 -1.480 2.639 1.00 0.00 C ATOM 1401 C VAL A 92 -16.605 -1.738 3.291 1.00 0.00 C ATOM 1402 O VAL A 92 -17.074 -2.857 3.353 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.419 -1.311 1.133 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.051 0.049 0.835 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.048 -1.395 0.463 1.00 0.00 C ATOM 0 H VAL A 92 -14.733 -3.548 2.698 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.820 -0.573 3.068 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.068 -2.098 0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.173 0.166 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.026 0.111 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.406 0.841 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.162 -1.275 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.405 -0.605 0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.598 -2.365 0.675 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.241 -0.708 3.779 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.571 -0.889 4.427 1.00 0.00 C ATOM 1417 C GLN A 93 -19.665 -0.349 3.504 1.00 0.00 C ATOM 1418 O GLN A 93 -20.760 -0.886 3.538 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.600 -0.128 5.754 1.00 0.00 C ATOM 1420 CG GLN A 93 -17.339 -0.450 6.557 1.00 0.00 C ATOM 1421 CD GLN A 93 -17.590 -1.681 7.431 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -18.723 -2.057 7.659 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -16.574 -2.328 7.932 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.390 0.594 2.780 1.00 0.00 O ATOM 0 H GLN A 93 -16.897 0.252 3.757 1.00 0.00 H new ATOM 0 HA GLN A 93 -18.744 -1.949 4.613 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -18.661 0.944 5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.487 -0.404 6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -16.503 -0.634 5.882 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -17.064 0.401 7.180 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -15.623 -2.012 7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -16.730 -3.150 8.515 1.00 0.00 H new TER 1433 GLN A 93