USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 727 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 Single : A 1 GLY N :NH3+ -126:sc= 0.0839 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 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 GLN :FLIP amide:sc= -5.22! C(o=-7.1!,f=-5.2!) USER MOD Single : A 18 HIS : no HE2:sc= -5.84! C(o=-5.8!,f=-8.2!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 28 SER OG : rot 180:sc= -0.689 USER MOD Single : A 30 THR OG1 : rot -15:sc= 0.786 USER MOD Single : A 32 SER OG : rot 180:sc= -0.111 USER MOD Single : A 33 CYS SG : rot -34:sc= 0.433 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc=-0.00258 X(o=-0.0026,f=0) USER MOD Single : A 40 THR OG1 : rot -174:sc= -0.579 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -151:sc= 0.277 (180deg=0.0201) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 160:sc= -0.672 USER MOD Single : A 54 SER OG : rot 180:sc= 0.035 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -117:sc= 0 (180deg=-1.01) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.115 USER MOD Single : A 65 THR OG1 : rot 10:sc= 0.185 USER MOD Single : A 71 GLN : amide:sc= -0.0796 K(o=-0.08,f=-1.5!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.4) USER MOD Single : A 81 TYR OH : rot -36:sc= 1.29 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= -0.639 USER MOD Single : A 88 GLN : amide:sc= -0.83 K(o=-0.83,f=-3.1!) USER MOD Single : A 89 GLN : amide:sc= -0.0913 K(o=-0.091,f=-2.2) USER MOD Single : A 91 SER OG : rot 93:sc= 0.0387 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.688 33.664 9.117 1.00 0.00 N ATOM 2 CA GLY A 1 -3.165 32.851 8.034 1.00 0.00 C ATOM 3 C GLY A 1 -4.228 31.971 7.405 1.00 0.00 C ATOM 4 O GLY A 1 -5.418 32.142 7.666 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.463 34.664 8.941 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.720 33.546 9.172 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.257 33.365 10.015 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.736 33.500 7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.356 32.225 8.411 1.00 0.00 H new ATOM 8 N SER A 2 -3.797 31.029 6.573 1.00 0.00 N ATOM 9 CA SER A 2 -4.720 30.123 5.900 1.00 0.00 C ATOM 10 C SER A 2 -4.710 28.747 6.561 1.00 0.00 C ATOM 11 O SER A 2 -3.655 28.230 6.926 1.00 0.00 O ATOM 12 CB SER A 2 -4.353 29.992 4.421 1.00 0.00 C ATOM 13 OG SER A 2 -4.678 31.174 3.709 1.00 0.00 O ATOM 0 H SER A 2 -2.814 30.873 6.349 1.00 0.00 H new ATOM 0 HA SER A 2 -5.724 30.540 5.983 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.287 29.787 4.324 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.882 29.144 3.985 1.00 0.00 H new ATOM 0 HG SER A 2 -4.432 31.066 2.766 1.00 0.00 H new ATOM 19 N SER A 3 -5.894 28.161 6.712 1.00 0.00 N ATOM 20 CA SER A 3 -6.023 26.848 7.332 1.00 0.00 C ATOM 21 C SER A 3 -4.996 25.875 6.762 1.00 0.00 C ATOM 22 O SER A 3 -5.113 25.428 5.622 1.00 0.00 O ATOM 23 CB SER A 3 -7.435 26.298 7.121 1.00 0.00 C ATOM 24 OG SER A 3 -8.367 26.949 7.967 1.00 0.00 O ATOM 0 H SER A 3 -6.777 28.575 6.413 1.00 0.00 H new ATOM 0 HA SER A 3 -5.839 26.958 8.401 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.729 26.431 6.080 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.445 25.226 7.320 1.00 0.00 H new ATOM 0 HG SER A 3 -9.262 26.581 7.812 1.00 0.00 H new ATOM 30 N GLY A 4 -3.988 25.550 7.566 1.00 0.00 N ATOM 31 CA GLY A 4 -2.954 24.632 7.126 1.00 0.00 C ATOM 32 C GLY A 4 -1.897 25.312 6.278 1.00 0.00 C ATOM 33 O GLY A 4 -1.641 24.902 5.146 1.00 0.00 O ATOM 0 H GLY A 4 -3.869 25.906 8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.480 24.179 7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.410 23.824 6.554 1.00 0.00 H new ATOM 37 N SER A 5 -1.283 26.357 6.826 1.00 0.00 N ATOM 38 CA SER A 5 -0.252 27.099 6.110 1.00 0.00 C ATOM 39 C SER A 5 1.099 26.401 6.226 1.00 0.00 C ATOM 40 O SER A 5 2.131 27.048 6.405 1.00 0.00 O ATOM 41 CB SER A 5 -0.151 28.525 6.654 1.00 0.00 C ATOM 42 OG SER A 5 0.274 29.426 5.646 1.00 0.00 O ATOM 0 H SER A 5 -1.482 26.708 7.763 1.00 0.00 H new ATOM 0 HA SER A 5 -0.531 27.138 5.057 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.120 28.839 7.042 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.550 28.551 7.488 1.00 0.00 H new ATOM 0 HG SER A 5 0.329 30.331 6.018 1.00 0.00 H new ATOM 48 N SER A 6 1.085 25.076 6.122 1.00 0.00 N ATOM 49 CA SER A 6 2.308 24.288 6.219 1.00 0.00 C ATOM 50 C SER A 6 2.248 23.075 5.296 1.00 0.00 C ATOM 51 O SER A 6 1.235 22.380 5.231 1.00 0.00 O ATOM 52 CB SER A 6 2.535 23.834 7.662 1.00 0.00 C ATOM 53 OG SER A 6 3.651 22.967 7.755 1.00 0.00 O ATOM 0 H SER A 6 0.240 24.525 5.971 1.00 0.00 H new ATOM 0 HA SER A 6 3.142 24.918 5.909 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.693 24.704 8.300 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.644 23.326 8.031 1.00 0.00 H new ATOM 0 HG SER A 6 3.775 22.693 8.688 1.00 0.00 H new ATOM 59 N GLY A 7 3.341 22.827 4.582 1.00 0.00 N ATOM 60 CA GLY A 7 3.393 21.698 3.671 1.00 0.00 C ATOM 61 C GLY A 7 4.743 21.010 3.677 1.00 0.00 C ATOM 62 O GLY A 7 5.682 21.462 3.021 1.00 0.00 O ATOM 0 H GLY A 7 4.192 23.388 4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.621 20.979 3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.167 22.040 2.661 1.00 0.00 H new ATOM 66 N LYS A 8 4.844 19.914 4.421 1.00 0.00 N ATOM 67 CA LYS A 8 6.089 19.161 4.511 1.00 0.00 C ATOM 68 C LYS A 8 6.124 18.040 3.476 1.00 0.00 C ATOM 69 O LYS A 8 5.141 17.799 2.775 1.00 0.00 O ATOM 70 CB LYS A 8 6.256 18.577 5.916 1.00 0.00 C ATOM 71 CG LYS A 8 5.307 17.430 6.215 1.00 0.00 C ATOM 72 CD LYS A 8 5.471 16.927 7.639 1.00 0.00 C ATOM 73 CE LYS A 8 6.611 15.926 7.748 1.00 0.00 C ATOM 74 NZ LYS A 8 6.910 15.578 9.165 1.00 0.00 N ATOM 0 H LYS A 8 4.077 19.527 4.971 1.00 0.00 H new ATOM 0 HA LYS A 8 6.913 19.845 4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.282 18.229 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.099 19.368 6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.279 17.757 6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.490 16.614 5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.660 17.770 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.543 16.461 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.353 15.021 7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.504 16.340 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.692 14.894 9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.181 16.438 9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.066 15.159 9.605 1.00 0.00 H new ATOM 88 N VAL A 9 7.260 17.357 3.388 1.00 0.00 N ATOM 89 CA VAL A 9 7.421 16.260 2.441 1.00 0.00 C ATOM 90 C VAL A 9 7.884 14.990 3.146 1.00 0.00 C ATOM 91 O VAL A 9 8.852 15.006 3.907 1.00 0.00 O ATOM 92 CB VAL A 9 8.432 16.617 1.335 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.634 15.438 0.395 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.969 17.847 0.569 1.00 0.00 C ATOM 0 H VAL A 9 8.083 17.544 3.961 1.00 0.00 H new ATOM 0 HA VAL A 9 6.445 16.086 1.988 1.00 0.00 H new ATOM 0 HB VAL A 9 9.390 16.846 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.351 15.709 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.013 14.585 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.683 15.174 -0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.694 18.086 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.000 17.648 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.881 18.690 1.254 1.00 0.00 H new ATOM 104 N VAL A 10 7.187 13.888 2.886 1.00 0.00 N ATOM 105 CA VAL A 10 7.527 12.607 3.494 1.00 0.00 C ATOM 106 C VAL A 10 8.178 11.673 2.480 1.00 0.00 C ATOM 107 O VAL A 10 9.047 10.872 2.826 1.00 0.00 O ATOM 108 CB VAL A 10 6.282 11.918 4.084 1.00 0.00 C ATOM 109 CG1 VAL A 10 6.682 10.691 4.889 1.00 0.00 C ATOM 110 CG2 VAL A 10 5.491 12.893 4.943 1.00 0.00 C ATOM 0 H VAL A 10 6.384 13.857 2.258 1.00 0.00 H new ATOM 0 HA VAL A 10 8.233 12.816 4.298 1.00 0.00 H new ATOM 0 HB VAL A 10 5.645 11.592 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.790 10.217 5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.203 9.985 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.340 10.990 5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.615 12.390 5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.118 13.250 5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.172 13.739 4.334 1.00 0.00 H new ATOM 120 N PHE A 11 7.753 11.782 1.225 1.00 0.00 N ATOM 121 CA PHE A 11 8.294 10.947 0.160 1.00 0.00 C ATOM 122 C PHE A 11 9.007 11.796 -0.888 1.00 0.00 C ATOM 123 O PHE A 11 8.846 13.016 -0.928 1.00 0.00 O ATOM 124 CB PHE A 11 7.176 10.136 -0.500 1.00 0.00 C ATOM 125 CG PHE A 11 6.450 9.230 0.453 1.00 0.00 C ATOM 126 CD1 PHE A 11 5.390 9.705 1.209 1.00 0.00 C ATOM 127 CD2 PHE A 11 6.827 7.905 0.593 1.00 0.00 C ATOM 128 CE1 PHE A 11 4.721 8.874 2.087 1.00 0.00 C ATOM 129 CE2 PHE A 11 6.161 7.069 1.470 1.00 0.00 C ATOM 130 CZ PHE A 11 5.106 7.554 2.217 1.00 0.00 C ATOM 0 H PHE A 11 7.036 12.441 0.921 1.00 0.00 H new ATOM 0 HA PHE A 11 9.018 10.263 0.602 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.460 10.821 -0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.600 9.537 -1.306 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.084 10.736 1.111 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.651 7.520 0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.897 9.257 2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.466 6.038 1.571 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.583 6.903 2.901 1.00 0.00 H new ATOM 140 N ALA A 12 9.797 11.142 -1.733 1.00 0.00 N ATOM 141 CA ALA A 12 10.535 11.836 -2.782 1.00 0.00 C ATOM 142 C ALA A 12 9.617 12.753 -3.584 1.00 0.00 C ATOM 143 O ALA A 12 8.394 12.694 -3.452 1.00 0.00 O ATOM 144 CB ALA A 12 11.215 10.833 -3.701 1.00 0.00 C ATOM 0 H ALA A 12 9.943 10.133 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 12 11.298 12.453 -2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.762 11.365 -4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.908 10.222 -3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.463 10.192 -4.160 1.00 0.00 H new ATOM 150 N LYS A 13 10.214 13.600 -4.415 1.00 0.00 N ATOM 151 CA LYS A 13 9.451 14.530 -5.239 1.00 0.00 C ATOM 152 C LYS A 13 9.002 13.865 -6.536 1.00 0.00 C ATOM 153 O LYS A 13 8.005 14.265 -7.136 1.00 0.00 O ATOM 154 CB LYS A 13 10.289 15.771 -5.554 1.00 0.00 C ATOM 155 CG LYS A 13 11.709 15.452 -5.989 1.00 0.00 C ATOM 156 CD LYS A 13 12.665 15.442 -4.808 1.00 0.00 C ATOM 157 CE LYS A 13 13.282 16.813 -4.579 1.00 0.00 C ATOM 158 NZ LYS A 13 13.932 16.912 -3.242 1.00 0.00 N ATOM 0 H LYS A 13 11.225 13.662 -4.536 1.00 0.00 H new ATOM 0 HA LYS A 13 8.565 14.830 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.796 16.341 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.323 16.410 -4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.730 14.481 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.041 16.189 -6.721 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.133 15.127 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.454 14.711 -4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.019 17.014 -5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.510 17.578 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.341 17.861 -3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.224 16.745 -2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.686 16.199 -3.169 1.00 0.00 H new ATOM 172 N GLU A 14 9.744 12.847 -6.962 1.00 0.00 N ATOM 173 CA GLU A 14 9.421 12.127 -8.188 1.00 0.00 C ATOM 174 C GLU A 14 8.593 10.882 -7.885 1.00 0.00 C ATOM 175 O GLU A 14 8.697 9.871 -8.579 1.00 0.00 O ATOM 176 CB GLU A 14 10.701 11.734 -8.928 1.00 0.00 C ATOM 177 CG GLU A 14 11.515 12.923 -9.409 1.00 0.00 C ATOM 178 CD GLU A 14 12.852 12.515 -9.997 1.00 0.00 C ATOM 179 OE1 GLU A 14 12.857 11.802 -11.022 1.00 0.00 O ATOM 180 OE2 GLU A 14 13.894 12.910 -9.432 1.00 0.00 O ATOM 0 H GLU A 14 10.572 12.503 -6.476 1.00 0.00 H new ATOM 0 HA GLU A 14 8.832 12.789 -8.823 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.319 11.124 -8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.439 11.113 -9.785 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.944 13.470 -10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.682 13.605 -8.576 1.00 0.00 H new ATOM 187 N GLN A 15 7.771 10.964 -6.843 1.00 0.00 N ATOM 188 CA GLN A 15 6.926 9.843 -6.447 1.00 0.00 C ATOM 189 C GLN A 15 5.588 9.885 -7.178 1.00 0.00 C ATOM 190 O GLN A 15 4.969 10.938 -7.329 1.00 0.00 O ATOM 191 CB GLN A 15 6.696 9.860 -4.935 1.00 0.00 C ATOM 192 CG GLN A 15 7.959 9.616 -4.125 1.00 0.00 C ATOM 193 CD GLN A 15 8.183 8.147 -3.821 1.00 0.00 C ATOM 194 OE1 GLN A 15 9.275 7.845 -3.130 1.00 0.00 O flip ATOM 195 NE2 GLN A 15 7.382 7.293 -4.205 1.00 0.00 N flip ATOM 0 H GLN A 15 7.672 11.794 -6.258 1.00 0.00 H new ATOM 0 HA GLN A 15 7.438 8.920 -6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.273 10.823 -4.651 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.958 9.100 -4.680 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.818 10.005 -4.672 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.899 10.172 -3.189 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.555 7.570 -4.734 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.546 6.309 -3.994 1.00 0.00 H new ATOM 204 N PRO A 16 5.130 8.713 -7.643 1.00 0.00 N ATOM 205 CA PRO A 16 3.861 8.590 -8.366 1.00 0.00 C ATOM 206 C PRO A 16 2.655 8.814 -7.461 1.00 0.00 C ATOM 207 O PRO A 16 2.802 9.161 -6.289 1.00 0.00 O ATOM 208 CB PRO A 16 3.884 7.149 -8.880 1.00 0.00 C ATOM 209 CG PRO A 16 4.776 6.423 -7.933 1.00 0.00 C ATOM 210 CD PRO A 16 5.816 7.418 -7.499 1.00 0.00 C ATOM 0 HA PRO A 16 3.767 9.336 -9.155 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.883 6.717 -8.892 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.265 7.099 -9.900 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.214 6.047 -7.078 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.238 5.561 -8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.134 7.244 -6.471 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.708 7.364 -8.123 1.00 0.00 H new ATOM 218 N ALA A 17 1.462 8.613 -8.011 1.00 0.00 N ATOM 219 CA ALA A 17 0.230 8.791 -7.252 1.00 0.00 C ATOM 220 C ALA A 17 -0.528 7.475 -7.121 1.00 0.00 C ATOM 221 O ALA A 17 -1.231 7.247 -6.135 1.00 0.00 O ATOM 222 CB ALA A 17 -0.648 9.845 -7.911 1.00 0.00 C ATOM 0 H ALA A 17 1.322 8.327 -8.980 1.00 0.00 H new ATOM 0 HA ALA A 17 0.495 9.129 -6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.565 9.968 -7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.112 10.794 -7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.897 9.530 -8.924 1.00 0.00 H new ATOM 228 N HIS A 18 -0.382 6.610 -8.120 1.00 0.00 N ATOM 229 CA HIS A 18 -1.054 5.315 -8.115 1.00 0.00 C ATOM 230 C HIS A 18 -0.204 4.260 -8.817 1.00 0.00 C ATOM 231 O HIS A 18 -0.107 4.244 -10.044 1.00 0.00 O ATOM 232 CB HIS A 18 -2.419 5.423 -8.794 1.00 0.00 C ATOM 233 CG HIS A 18 -3.289 4.222 -8.585 1.00 0.00 C ATOM 234 ND1 HIS A 18 -3.633 3.356 -9.602 1.00 0.00 N ATOM 235 CD2 HIS A 18 -3.883 3.743 -7.468 1.00 0.00 C ATOM 236 CE1 HIS A 18 -4.404 2.398 -9.119 1.00 0.00 C ATOM 237 NE2 HIS A 18 -4.570 2.609 -7.826 1.00 0.00 N ATOM 0 H HIS A 18 0.195 6.782 -8.943 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.196 5.010 -7.078 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.935 6.305 -8.416 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.273 5.574 -9.864 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -3.338 3.442 -10.575 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.827 4.173 -6.479 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.827 1.581 -9.685 1.00 0.00 H new ATOM 246 N ARG A 19 0.408 3.381 -8.031 1.00 0.00 N ATOM 247 CA ARG A 19 1.250 2.324 -8.577 1.00 0.00 C ATOM 248 C ARG A 19 0.505 0.992 -8.600 1.00 0.00 C ATOM 249 O ARG A 19 0.497 0.258 -7.613 1.00 0.00 O ATOM 250 CB ARG A 19 2.533 2.188 -7.755 1.00 0.00 C ATOM 251 CG ARG A 19 3.649 3.116 -8.209 1.00 0.00 C ATOM 252 CD ARG A 19 5.019 2.523 -7.920 1.00 0.00 C ATOM 253 NE ARG A 19 6.034 3.009 -8.850 1.00 0.00 N ATOM 254 CZ ARG A 19 7.244 2.473 -8.964 1.00 0.00 C ATOM 255 NH1 ARG A 19 7.587 1.438 -8.211 1.00 0.00 N ATOM 256 NH2 ARG A 19 8.112 2.972 -9.834 1.00 0.00 N ATOM 0 H ARG A 19 0.336 3.380 -7.014 1.00 0.00 H new ATOM 0 HA ARG A 19 1.509 2.594 -9.601 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.307 2.391 -6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.883 1.157 -7.812 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.552 3.307 -9.278 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.553 4.077 -7.703 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.313 2.771 -6.900 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.963 1.436 -7.980 1.00 0.00 H new ATOM 0 HE ARG A 19 5.801 3.804 -9.445 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.921 1.051 -7.542 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.517 1.028 -8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.851 3.768 -10.416 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.041 2.560 -9.921 1.00 0.00 H new ATOM 270 N GLU A 20 -0.119 0.689 -9.734 1.00 0.00 N ATOM 271 CA GLU A 20 -0.868 -0.553 -9.884 1.00 0.00 C ATOM 272 C GLU A 20 0.076 -1.737 -10.075 1.00 0.00 C ATOM 273 O GLU A 20 0.741 -1.856 -11.104 1.00 0.00 O ATOM 274 CB GLU A 20 -1.828 -0.456 -11.072 1.00 0.00 C ATOM 275 CG GLU A 20 -2.957 0.538 -10.861 1.00 0.00 C ATOM 276 CD GLU A 20 -3.431 1.166 -12.158 1.00 0.00 C ATOM 277 OE1 GLU A 20 -3.824 0.412 -13.072 1.00 0.00 O ATOM 278 OE2 GLU A 20 -3.409 2.411 -12.257 1.00 0.00 O ATOM 0 H GLU A 20 -0.121 1.286 -10.561 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.444 -0.712 -8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.265 -0.171 -11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.253 -1.441 -11.266 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.794 0.034 -10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.623 1.323 -10.182 1.00 0.00 H new ATOM 285 N VAL A 21 0.129 -2.611 -9.075 1.00 0.00 N ATOM 286 CA VAL A 21 0.990 -3.786 -9.131 1.00 0.00 C ATOM 287 C VAL A 21 0.176 -5.053 -9.367 1.00 0.00 C ATOM 288 O VAL A 21 -0.851 -5.271 -8.724 1.00 0.00 O ATOM 289 CB VAL A 21 1.806 -3.947 -7.834 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.692 -5.181 -7.910 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.635 -2.700 -7.569 1.00 0.00 C ATOM 0 H VAL A 21 -0.415 -2.527 -8.216 1.00 0.00 H new ATOM 0 HA VAL A 21 1.675 -3.637 -9.966 1.00 0.00 H new ATOM 0 HB VAL A 21 1.113 -4.078 -7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.261 -5.278 -6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.072 -6.066 -8.049 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.380 -5.084 -8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.205 -2.831 -6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.320 -2.535 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.975 -1.839 -7.467 1.00 0.00 H new ATOM 301 N GLN A 22 0.641 -5.885 -10.293 1.00 0.00 N ATOM 302 CA GLN A 22 -0.045 -7.131 -10.613 1.00 0.00 C ATOM 303 C GLN A 22 0.714 -8.330 -10.054 1.00 0.00 C ATOM 304 O GLN A 22 1.932 -8.282 -9.884 1.00 0.00 O ATOM 305 CB GLN A 22 -0.204 -7.275 -12.128 1.00 0.00 C ATOM 306 CG GLN A 22 -1.113 -8.423 -12.538 1.00 0.00 C ATOM 307 CD GLN A 22 -1.162 -8.620 -14.040 1.00 0.00 C ATOM 308 OE1 GLN A 22 -0.240 -8.234 -14.759 1.00 0.00 O ATOM 309 NE2 GLN A 22 -2.241 -9.225 -14.523 1.00 0.00 N ATOM 0 H GLN A 22 1.489 -5.719 -10.834 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.032 -7.102 -10.151 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.602 -6.345 -12.533 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.779 -7.423 -12.576 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.767 -9.342 -12.066 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.120 -8.234 -12.167 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.981 -9.529 -13.891 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.329 -9.386 -15.526 1.00 0.00 H new ATOM 318 N ALA A 23 -0.014 -9.405 -9.770 1.00 0.00 N ATOM 319 CA ALA A 23 0.590 -10.617 -9.231 1.00 0.00 C ATOM 320 C ALA A 23 -0.282 -11.836 -9.509 1.00 0.00 C ATOM 321 O ALA A 23 -1.374 -11.715 -10.063 1.00 0.00 O ATOM 322 CB ALA A 23 0.831 -10.467 -7.736 1.00 0.00 C ATOM 0 H ALA A 23 -1.024 -9.461 -9.904 1.00 0.00 H new ATOM 0 HA ALA A 23 1.548 -10.768 -9.729 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.282 -11.380 -7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.501 -9.626 -7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.118 -10.288 -7.231 1.00 0.00 H new ATOM 328 N GLU A 24 0.207 -13.010 -9.120 1.00 0.00 N ATOM 329 CA GLU A 24 -0.529 -14.251 -9.330 1.00 0.00 C ATOM 330 C GLU A 24 -0.960 -14.859 -7.999 1.00 0.00 C ATOM 331 O GLU A 24 -0.308 -14.662 -6.974 1.00 0.00 O ATOM 332 CB GLU A 24 0.328 -15.253 -10.107 1.00 0.00 C ATOM 333 CG GLU A 24 0.571 -14.853 -11.553 1.00 0.00 C ATOM 334 CD GLU A 24 0.844 -16.045 -12.450 1.00 0.00 C ATOM 335 OE1 GLU A 24 -0.006 -16.958 -12.499 1.00 0.00 O ATOM 336 OE2 GLU A 24 1.908 -16.063 -13.103 1.00 0.00 O ATOM 0 H GLU A 24 1.109 -13.127 -8.658 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.422 -14.020 -9.911 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.288 -15.365 -9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.158 -16.228 -10.085 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.298 -14.313 -11.928 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.417 -14.167 -11.599 1.00 0.00 H new ATOM 343 N ALA A 25 -2.064 -15.599 -8.023 1.00 0.00 N ATOM 344 CA ALA A 25 -2.582 -16.237 -6.819 1.00 0.00 C ATOM 345 C ALA A 25 -1.539 -17.155 -6.192 1.00 0.00 C ATOM 346 O ALA A 25 -1.131 -18.148 -6.793 1.00 0.00 O ATOM 347 CB ALA A 25 -3.850 -17.015 -7.139 1.00 0.00 C ATOM 0 H ALA A 25 -2.617 -15.771 -8.863 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.820 -15.456 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.226 -17.487 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.604 -16.335 -7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.629 -17.782 -7.881 1.00 0.00 H new ATOM 353 N GLY A 26 -1.110 -16.816 -4.980 1.00 0.00 N ATOM 354 CA GLY A 26 -0.117 -17.620 -4.292 1.00 0.00 C ATOM 355 C GLY A 26 1.276 -17.033 -4.394 1.00 0.00 C ATOM 356 O GLY A 26 2.165 -17.387 -3.620 1.00 0.00 O ATOM 0 H GLY A 26 -1.433 -15.999 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.393 -17.712 -3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.115 -18.626 -4.711 1.00 0.00 H new ATOM 360 N ALA A 27 1.469 -16.134 -5.354 1.00 0.00 N ATOM 361 CA ALA A 27 2.764 -15.497 -5.554 1.00 0.00 C ATOM 362 C ALA A 27 3.070 -14.510 -4.433 1.00 0.00 C ATOM 363 O ALA A 27 2.248 -14.293 -3.543 1.00 0.00 O ATOM 364 CB ALA A 27 2.804 -14.794 -6.904 1.00 0.00 C ATOM 0 H ALA A 27 0.745 -15.831 -6.005 1.00 0.00 H new ATOM 0 HA ALA A 27 3.529 -16.273 -5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.777 -14.322 -7.040 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.639 -15.522 -7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.024 -14.033 -6.941 1.00 0.00 H new ATOM 370 N SER A 28 4.257 -13.914 -4.482 1.00 0.00 N ATOM 371 CA SER A 28 4.673 -12.953 -3.467 1.00 0.00 C ATOM 372 C SER A 28 4.892 -11.574 -4.082 1.00 0.00 C ATOM 373 O SER A 28 5.942 -11.300 -4.662 1.00 0.00 O ATOM 374 CB SER A 28 5.956 -13.427 -2.781 1.00 0.00 C ATOM 375 OG SER A 28 5.679 -14.432 -1.821 1.00 0.00 O ATOM 0 H SER A 28 4.948 -14.080 -5.214 1.00 0.00 H new ATOM 0 HA SER A 28 3.878 -12.879 -2.725 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.650 -13.814 -3.527 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.447 -12.583 -2.297 1.00 0.00 H new ATOM 0 HG SER A 28 6.515 -14.720 -1.398 1.00 0.00 H new ATOM 381 N ALA A 29 3.891 -10.710 -3.951 1.00 0.00 N ATOM 382 CA ALA A 29 3.973 -9.358 -4.491 1.00 0.00 C ATOM 383 C ALA A 29 5.016 -8.532 -3.746 1.00 0.00 C ATOM 384 O ALA A 29 5.620 -8.999 -2.780 1.00 0.00 O ATOM 385 CB ALA A 29 2.613 -8.680 -4.425 1.00 0.00 C ATOM 0 H ALA A 29 3.014 -10.922 -3.476 1.00 0.00 H new ATOM 0 HA ALA A 29 4.281 -9.428 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.689 -7.671 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.892 -9.253 -5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.282 -8.629 -3.388 1.00 0.00 H new ATOM 391 N THR A 30 5.224 -7.300 -4.202 1.00 0.00 N ATOM 392 CA THR A 30 6.195 -6.409 -3.580 1.00 0.00 C ATOM 393 C THR A 30 5.944 -4.959 -3.977 1.00 0.00 C ATOM 394 O THR A 30 6.112 -4.585 -5.139 1.00 0.00 O ATOM 395 CB THR A 30 7.636 -6.793 -3.964 1.00 0.00 C ATOM 396 OG1 THR A 30 7.917 -8.131 -3.539 1.00 0.00 O ATOM 397 CG2 THR A 30 8.637 -5.835 -3.335 1.00 0.00 C ATOM 0 H THR A 30 4.733 -6.897 -5.000 1.00 0.00 H new ATOM 0 HA THR A 30 6.074 -6.513 -2.502 1.00 0.00 H new ATOM 0 HB THR A 30 7.728 -6.730 -5.048 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.236 -8.420 -2.896 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.648 -6.126 -3.620 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.439 -4.821 -3.684 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.542 -5.870 -2.250 1.00 0.00 H new ATOM 405 N LEU A 31 5.542 -4.146 -3.007 1.00 0.00 N ATOM 406 CA LEU A 31 5.269 -2.735 -3.255 1.00 0.00 C ATOM 407 C LEU A 31 6.392 -1.858 -2.711 1.00 0.00 C ATOM 408 O LEU A 31 6.418 -1.532 -1.524 1.00 0.00 O ATOM 409 CB LEU A 31 3.937 -2.333 -2.617 1.00 0.00 C ATOM 410 CG LEU A 31 2.778 -3.311 -2.810 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.566 -2.867 -2.007 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.426 -3.437 -4.285 1.00 0.00 C ATOM 0 H LEU A 31 5.398 -4.440 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 31 5.208 -2.587 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.096 -2.196 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.641 -1.365 -3.022 1.00 0.00 H new ATOM 0 HG LEU A 31 3.090 -4.290 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.751 -3.575 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.824 -2.830 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.252 -1.877 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.599 -4.137 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.134 -2.462 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.293 -3.803 -4.836 1.00 0.00 H new ATOM 424 N SER A 32 7.316 -1.478 -3.586 1.00 0.00 N ATOM 425 CA SER A 32 8.443 -0.640 -3.193 1.00 0.00 C ATOM 426 C SER A 32 8.121 0.837 -3.401 1.00 0.00 C ATOM 427 O SER A 32 7.241 1.186 -4.189 1.00 0.00 O ATOM 428 CB SER A 32 9.691 -1.019 -3.992 1.00 0.00 C ATOM 429 OG SER A 32 10.711 -0.047 -3.837 1.00 0.00 O ATOM 0 H SER A 32 7.307 -1.737 -4.573 1.00 0.00 H new ATOM 0 HA SER A 32 8.635 -0.806 -2.133 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.057 -1.991 -3.661 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.435 -1.117 -5.047 1.00 0.00 H new ATOM 0 HG SER A 32 11.498 -0.313 -4.356 1.00 0.00 H new ATOM 435 N CYS A 33 8.839 1.698 -2.690 1.00 0.00 N ATOM 436 CA CYS A 33 8.630 3.138 -2.795 1.00 0.00 C ATOM 437 C CYS A 33 9.711 3.901 -2.036 1.00 0.00 C ATOM 438 O CYS A 33 10.013 3.588 -0.885 1.00 0.00 O ATOM 439 CB CYS A 33 7.249 3.515 -2.256 1.00 0.00 C ATOM 440 SG CYS A 33 6.938 2.952 -0.566 1.00 0.00 S ATOM 0 H CYS A 33 9.571 1.425 -2.034 1.00 0.00 H new ATOM 0 HA CYS A 33 8.688 3.413 -3.848 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.140 4.599 -2.292 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.487 3.096 -2.913 1.00 0.00 H new ATOM 0 HG CYS A 33 7.535 1.814 -0.371 1.00 0.00 H new ATOM 446 N GLU A 34 10.291 4.902 -2.691 1.00 0.00 N ATOM 447 CA GLU A 34 11.341 5.708 -2.078 1.00 0.00 C ATOM 448 C GLU A 34 10.768 6.609 -0.987 1.00 0.00 C ATOM 449 O GLU A 34 9.555 6.794 -0.893 1.00 0.00 O ATOM 450 CB GLU A 34 12.047 6.558 -3.137 1.00 0.00 C ATOM 451 CG GLU A 34 12.915 5.749 -4.086 1.00 0.00 C ATOM 452 CD GLU A 34 13.634 6.616 -5.101 1.00 0.00 C ATOM 453 OE1 GLU A 34 12.948 7.302 -5.887 1.00 0.00 O ATOM 454 OE2 GLU A 34 14.882 6.608 -5.109 1.00 0.00 O ATOM 0 H GLU A 34 10.052 5.174 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 34 12.065 5.031 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.298 7.099 -3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.666 7.304 -2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.649 5.186 -3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.294 5.022 -4.610 1.00 0.00 H new ATOM 461 N VAL A 35 11.651 7.165 -0.163 1.00 0.00 N ATOM 462 CA VAL A 35 11.235 8.046 0.921 1.00 0.00 C ATOM 463 C VAL A 35 12.190 9.226 1.068 1.00 0.00 C ATOM 464 O VAL A 35 13.394 9.093 0.855 1.00 0.00 O ATOM 465 CB VAL A 35 11.160 7.291 2.261 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.915 6.419 2.314 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.415 6.456 2.472 1.00 0.00 C ATOM 0 H VAL A 35 12.659 7.021 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 35 10.242 8.415 0.665 1.00 0.00 H new ATOM 0 HB VAL A 35 11.097 8.022 3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.879 5.893 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.028 7.044 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.944 5.694 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.346 5.929 3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.511 5.732 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.288 7.108 2.481 1.00 0.00 H new ATOM 477 N ALA A 36 11.643 10.381 1.433 1.00 0.00 N ATOM 478 CA ALA A 36 12.446 11.584 1.611 1.00 0.00 C ATOM 479 C ALA A 36 13.451 11.411 2.745 1.00 0.00 C ATOM 480 O ALA A 36 14.436 12.143 2.830 1.00 0.00 O ATOM 481 CB ALA A 36 11.548 12.783 1.877 1.00 0.00 C ATOM 0 H ALA A 36 10.647 10.509 1.611 1.00 0.00 H new ATOM 0 HA ALA A 36 13.003 11.758 0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.161 13.675 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.874 12.927 1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.965 12.607 2.781 1.00 0.00 H new ATOM 487 N GLN A 37 13.194 10.438 3.613 1.00 0.00 N ATOM 488 CA GLN A 37 14.076 10.171 4.743 1.00 0.00 C ATOM 489 C GLN A 37 13.972 8.714 5.182 1.00 0.00 C ATOM 490 O GLN A 37 12.889 8.130 5.177 1.00 0.00 O ATOM 491 CB GLN A 37 13.734 11.094 5.914 1.00 0.00 C ATOM 492 CG GLN A 37 13.856 12.572 5.579 1.00 0.00 C ATOM 493 CD GLN A 37 13.927 13.447 6.815 1.00 0.00 C ATOM 494 OE1 GLN A 37 14.931 14.118 7.057 1.00 0.00 O ATOM 495 NE2 GLN A 37 12.860 13.444 7.605 1.00 0.00 N ATOM 0 H GLN A 37 12.383 9.822 3.556 1.00 0.00 H new ATOM 0 HA GLN A 37 15.101 10.364 4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.716 10.887 6.243 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.393 10.864 6.751 1.00 0.00 H new ATOM 0 HG2 GLN A 37 14.749 12.731 4.974 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.002 12.875 4.973 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.050 12.873 7.366 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.850 14.013 8.451 1.00 0.00 H new ATOM 504 N ALA A 38 15.106 8.133 5.561 1.00 0.00 N ATOM 505 CA ALA A 38 15.141 6.744 6.004 1.00 0.00 C ATOM 506 C ALA A 38 14.499 6.590 7.378 1.00 0.00 C ATOM 507 O ALA A 38 13.436 5.985 7.512 1.00 0.00 O ATOM 508 CB ALA A 38 16.575 6.235 6.029 1.00 0.00 C ATOM 0 H ALA A 38 16.012 8.602 5.570 1.00 0.00 H new ATOM 0 HA ALA A 38 14.567 6.147 5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.587 5.197 6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.002 6.300 5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.165 6.843 6.715 1.00 0.00 H new ATOM 514 N GLN A 39 15.151 7.142 8.397 1.00 0.00 N ATOM 515 CA GLN A 39 14.643 7.064 9.761 1.00 0.00 C ATOM 516 C GLN A 39 13.119 7.110 9.778 1.00 0.00 C ATOM 517 O GLN A 39 12.471 6.356 10.505 1.00 0.00 O ATOM 518 CB GLN A 39 15.209 8.207 10.605 1.00 0.00 C ATOM 519 CG GLN A 39 15.373 7.855 12.075 1.00 0.00 C ATOM 520 CD GLN A 39 15.788 9.045 12.917 1.00 0.00 C ATOM 521 OE1 GLN A 39 16.835 9.650 12.685 1.00 0.00 O ATOM 522 NE2 GLN A 39 14.967 9.387 13.903 1.00 0.00 N ATOM 0 H GLN A 39 16.032 7.648 8.303 1.00 0.00 H new ATOM 0 HA GLN A 39 14.964 6.114 10.187 1.00 0.00 H new ATOM 0 HB2 GLN A 39 16.177 8.501 10.200 1.00 0.00 H new ATOM 0 HB3 GLN A 39 14.551 9.072 10.518 1.00 0.00 H new ATOM 0 HG2 GLN A 39 14.433 7.455 12.456 1.00 0.00 H new ATOM 0 HG3 GLN A 39 16.119 7.066 12.175 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.109 8.857 14.059 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.194 10.179 14.504 1.00 0.00 H new ATOM 531 N THR A 40 12.550 8.001 8.971 1.00 0.00 N ATOM 532 CA THR A 40 11.102 8.147 8.894 1.00 0.00 C ATOM 533 C THR A 40 10.411 6.788 8.890 1.00 0.00 C ATOM 534 O THR A 40 10.813 5.881 8.162 1.00 0.00 O ATOM 535 CB THR A 40 10.682 8.928 7.634 1.00 0.00 C ATOM 536 OG1 THR A 40 11.066 10.302 7.758 1.00 0.00 O ATOM 537 CG2 THR A 40 9.180 8.833 7.415 1.00 0.00 C ATOM 0 H THR A 40 13.070 8.632 8.362 1.00 0.00 H new ATOM 0 HA THR A 40 10.794 8.705 9.778 1.00 0.00 H new ATOM 0 HB THR A 40 11.187 8.487 6.775 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.714 10.810 6.998 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.907 9.392 6.520 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.896 7.788 7.291 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.660 9.251 8.277 1.00 0.00 H new ATOM 545 N GLU A 41 9.371 6.656 9.707 1.00 0.00 N ATOM 546 CA GLU A 41 8.625 5.406 9.797 1.00 0.00 C ATOM 547 C GLU A 41 7.388 5.446 8.904 1.00 0.00 C ATOM 548 O GLU A 41 6.780 6.499 8.713 1.00 0.00 O ATOM 549 CB GLU A 41 8.214 5.134 11.245 1.00 0.00 C ATOM 550 CG GLU A 41 7.054 5.993 11.720 1.00 0.00 C ATOM 551 CD GLU A 41 6.562 5.597 13.099 1.00 0.00 C ATOM 552 OE1 GLU A 41 7.340 5.726 14.067 1.00 0.00 O ATOM 553 OE2 GLU A 41 5.397 5.160 13.209 1.00 0.00 O ATOM 0 H GLU A 41 9.026 7.398 10.316 1.00 0.00 H new ATOM 0 HA GLU A 41 9.274 4.600 9.454 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.942 4.083 11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.072 5.305 11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.363 7.038 11.735 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.232 5.913 11.008 1.00 0.00 H new ATOM 560 N VAL A 42 7.021 4.290 8.360 1.00 0.00 N ATOM 561 CA VAL A 42 5.857 4.191 7.488 1.00 0.00 C ATOM 562 C VAL A 42 4.881 3.134 7.992 1.00 0.00 C ATOM 563 O VAL A 42 5.214 2.329 8.862 1.00 0.00 O ATOM 564 CB VAL A 42 6.265 3.849 6.042 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.500 4.639 5.636 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.506 2.354 5.896 1.00 0.00 C ATOM 0 H VAL A 42 7.513 3.409 8.508 1.00 0.00 H new ATOM 0 HA VAL A 42 5.370 5.166 7.499 1.00 0.00 H new ATOM 0 HB VAL A 42 5.449 4.128 5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.774 4.385 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.287 5.706 5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.325 4.393 6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.793 2.130 4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.305 2.047 6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.593 1.812 6.144 1.00 0.00 H new ATOM 576 N THR A 43 3.672 3.140 7.439 1.00 0.00 N ATOM 577 CA THR A 43 2.646 2.183 7.832 1.00 0.00 C ATOM 578 C THR A 43 1.641 1.961 6.708 1.00 0.00 C ATOM 579 O THR A 43 0.839 2.842 6.397 1.00 0.00 O ATOM 580 CB THR A 43 1.895 2.650 9.093 1.00 0.00 C ATOM 581 OG1 THR A 43 2.828 3.103 10.080 1.00 0.00 O ATOM 582 CG2 THR A 43 1.047 1.525 9.667 1.00 0.00 C ATOM 0 H THR A 43 3.380 3.798 6.717 1.00 0.00 H new ATOM 0 HA THR A 43 3.156 1.245 8.049 1.00 0.00 H new ATOM 0 HB THR A 43 1.237 3.472 8.812 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.342 3.399 10.878 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.527 1.879 10.557 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.317 1.204 8.924 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.689 0.685 9.932 1.00 0.00 H new ATOM 590 N TRP A 44 1.688 0.780 6.103 1.00 0.00 N ATOM 591 CA TRP A 44 0.780 0.442 5.013 1.00 0.00 C ATOM 592 C TRP A 44 -0.650 0.296 5.521 1.00 0.00 C ATOM 593 O TRP A 44 -0.874 -0.105 6.663 1.00 0.00 O ATOM 594 CB TRP A 44 1.227 -0.852 4.331 1.00 0.00 C ATOM 595 CG TRP A 44 2.610 -0.774 3.758 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.784 -0.999 4.417 1.00 0.00 C ATOM 597 CD2 TRP A 44 2.961 -0.447 2.409 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.845 -0.831 3.560 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.366 -0.494 2.321 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.226 -0.122 1.266 1.00 0.00 C ATOM 601 CZ2 TRP A 44 5.047 -0.226 1.137 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.903 0.144 0.091 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.302 0.090 0.033 1.00 0.00 C ATOM 0 H TRP A 44 2.345 0.040 6.349 1.00 0.00 H new ATOM 0 HA TRP A 44 0.806 1.254 4.287 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.186 -1.668 5.053 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.524 -1.096 3.534 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.867 -1.269 5.459 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.829 -0.939 3.806 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.147 -0.079 1.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.125 -0.266 1.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.344 0.398 -0.798 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.802 0.302 -0.901 1.00 0.00 H new ATOM 614 N TYR A 45 -1.613 0.623 4.667 1.00 0.00 N ATOM 615 CA TYR A 45 -3.022 0.529 5.031 1.00 0.00 C ATOM 616 C TYR A 45 -3.842 -0.064 3.890 1.00 0.00 C ATOM 617 O TYR A 45 -3.816 0.436 2.765 1.00 0.00 O ATOM 618 CB TYR A 45 -3.567 1.910 5.401 1.00 0.00 C ATOM 619 CG TYR A 45 -3.086 2.411 6.745 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.651 1.943 7.925 1.00 0.00 C ATOM 621 CD2 TYR A 45 -2.069 3.353 6.833 1.00 0.00 C ATOM 622 CE1 TYR A 45 -3.215 2.398 9.155 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.626 3.812 8.059 1.00 0.00 C ATOM 624 CZ TYR A 45 -2.202 3.332 9.216 1.00 0.00 C ATOM 625 OH TYR A 45 -1.765 3.789 10.438 1.00 0.00 O ATOM 0 H TYR A 45 -1.444 0.956 3.718 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.105 -0.131 5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.276 2.624 4.631 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.656 1.872 5.405 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.444 1.211 7.880 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.617 3.733 5.929 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.665 2.024 10.063 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.833 4.543 8.110 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.046 4.442 10.305 1.00 0.00 H new ATOM 635 N LYS A 46 -4.569 -1.135 4.188 1.00 0.00 N ATOM 636 CA LYS A 46 -5.400 -1.799 3.190 1.00 0.00 C ATOM 637 C LYS A 46 -6.873 -1.461 3.396 1.00 0.00 C ATOM 638 O LYS A 46 -7.423 -1.676 4.476 1.00 0.00 O ATOM 639 CB LYS A 46 -5.199 -3.315 3.255 1.00 0.00 C ATOM 640 CG LYS A 46 -5.685 -4.047 2.016 1.00 0.00 C ATOM 641 CD LYS A 46 -5.535 -5.552 2.163 1.00 0.00 C ATOM 642 CE LYS A 46 -6.459 -6.299 1.213 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.798 -6.540 1.816 1.00 0.00 N ATOM 0 H LYS A 46 -4.600 -1.562 5.114 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.098 -1.441 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.140 -3.527 3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.724 -3.706 4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.731 -3.801 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.121 -3.707 1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.501 -5.837 1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.756 -5.842 3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.573 -5.726 0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.006 -7.253 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.208 -7.408 1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.701 -6.646 2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.422 -5.735 1.608 1.00 0.00 H new ATOM 657 N ASP A 47 -7.505 -0.933 2.354 1.00 0.00 N ATOM 658 CA ASP A 47 -8.916 -0.568 2.420 1.00 0.00 C ATOM 659 C ASP A 47 -9.231 0.147 3.730 1.00 0.00 C ATOM 660 O ASP A 47 -10.264 -0.101 4.352 1.00 0.00 O ATOM 661 CB ASP A 47 -9.793 -1.813 2.280 1.00 0.00 C ATOM 662 CG ASP A 47 -11.272 -1.493 2.378 1.00 0.00 C ATOM 663 OD1 ASP A 47 -11.807 -0.868 1.439 1.00 0.00 O ATOM 664 OD2 ASP A 47 -11.894 -1.867 3.395 1.00 0.00 O ATOM 0 H ASP A 47 -7.063 -0.748 1.453 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.130 0.112 1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.590 -2.291 1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.527 -2.530 3.056 1.00 0.00 H new ATOM 669 N GLY A 48 -8.333 1.035 4.145 1.00 0.00 N ATOM 670 CA GLY A 48 -8.533 1.772 5.379 1.00 0.00 C ATOM 671 C GLY A 48 -8.335 0.907 6.609 1.00 0.00 C ATOM 672 O GLY A 48 -9.061 1.040 7.594 1.00 0.00 O ATOM 0 H GLY A 48 -7.470 1.257 3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.839 2.612 5.414 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.540 2.190 5.390 1.00 0.00 H new ATOM 676 N LYS A 49 -7.350 0.018 6.552 1.00 0.00 N ATOM 677 CA LYS A 49 -7.058 -0.873 7.668 1.00 0.00 C ATOM 678 C LYS A 49 -5.555 -0.963 7.914 1.00 0.00 C ATOM 679 O LYS A 49 -4.773 -1.152 6.981 1.00 0.00 O ATOM 680 CB LYS A 49 -7.625 -2.268 7.397 1.00 0.00 C ATOM 681 CG LYS A 49 -9.119 -2.274 7.122 1.00 0.00 C ATOM 682 CD LYS A 49 -9.923 -2.184 8.409 1.00 0.00 C ATOM 683 CE LYS A 49 -11.350 -1.729 8.143 1.00 0.00 C ATOM 684 NZ LYS A 49 -12.201 -1.833 9.361 1.00 0.00 N ATOM 0 H LYS A 49 -6.740 -0.105 5.744 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.531 -0.463 8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.105 -2.703 6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.419 -2.908 8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.374 -1.436 6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.388 -3.185 6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.936 -3.157 8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.439 -1.487 9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.343 -0.697 7.792 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.782 -2.334 7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.166 -1.514 9.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.229 -2.822 9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.804 -1.236 10.114 1.00 0.00 H new ATOM 698 N LYS A 50 -5.156 -0.829 9.174 1.00 0.00 N ATOM 699 CA LYS A 50 -3.747 -0.898 9.543 1.00 0.00 C ATOM 700 C LYS A 50 -3.160 -2.262 9.196 1.00 0.00 C ATOM 701 O LYS A 50 -3.568 -3.284 9.750 1.00 0.00 O ATOM 702 CB LYS A 50 -3.577 -0.623 11.039 1.00 0.00 C ATOM 703 CG LYS A 50 -2.171 -0.193 11.422 1.00 0.00 C ATOM 704 CD LYS A 50 -2.015 -0.076 12.929 1.00 0.00 C ATOM 705 CE LYS A 50 -0.556 -0.169 13.347 1.00 0.00 C ATOM 706 NZ LYS A 50 -0.388 0.002 14.817 1.00 0.00 N ATOM 0 H LYS A 50 -5.789 -0.672 9.958 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.211 -0.137 8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.280 0.154 11.339 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.838 -1.522 11.597 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.451 -0.914 11.036 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.943 0.766 10.956 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.431 0.873 13.266 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.586 -0.866 13.417 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.153 -1.136 13.045 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.021 0.594 12.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.620 -0.068 15.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.749 0.935 15.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.918 -0.741 15.316 1.00 0.00 H new ATOM 720 N LEU A 51 -2.200 -2.271 8.278 1.00 0.00 N ATOM 721 CA LEU A 51 -1.555 -3.510 7.859 1.00 0.00 C ATOM 722 C LEU A 51 -0.467 -3.920 8.847 1.00 0.00 C ATOM 723 O LEU A 51 0.190 -3.071 9.449 1.00 0.00 O ATOM 724 CB LEU A 51 -0.955 -3.348 6.461 1.00 0.00 C ATOM 725 CG LEU A 51 -1.932 -3.474 5.292 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.351 -2.839 4.038 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.279 -4.934 5.041 1.00 0.00 C ATOM 0 H LEU A 51 -1.851 -1.435 7.810 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.312 -4.294 7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.476 -2.371 6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.171 -4.095 6.335 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.848 -2.943 5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.061 -2.939 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.156 -1.783 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.419 -3.340 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.975 -5.004 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.371 -5.488 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.740 -5.357 5.934 1.00 0.00 H new ATOM 739 N SER A 52 -0.281 -5.226 9.006 1.00 0.00 N ATOM 740 CA SER A 52 0.726 -5.749 9.922 1.00 0.00 C ATOM 741 C SER A 52 1.658 -6.723 9.207 1.00 0.00 C ATOM 742 O SER A 52 1.248 -7.427 8.284 1.00 0.00 O ATOM 743 CB SER A 52 0.055 -6.445 11.108 1.00 0.00 C ATOM 744 OG SER A 52 0.977 -6.658 12.163 1.00 0.00 O ATOM 0 H SER A 52 -0.814 -5.942 8.512 1.00 0.00 H new ATOM 0 HA SER A 52 1.318 -4.910 10.289 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.778 -5.839 11.465 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.361 -7.400 10.786 1.00 0.00 H new ATOM 0 HG SER A 52 0.523 -7.102 12.909 1.00 0.00 H new ATOM 750 N SER A 53 2.914 -6.756 9.640 1.00 0.00 N ATOM 751 CA SER A 53 3.906 -7.639 9.040 1.00 0.00 C ATOM 752 C SER A 53 3.744 -9.067 9.552 1.00 0.00 C ATOM 753 O SER A 53 4.535 -9.540 10.368 1.00 0.00 O ATOM 754 CB SER A 53 5.319 -7.135 9.342 1.00 0.00 C ATOM 755 OG SER A 53 5.447 -5.759 9.029 1.00 0.00 O ATOM 0 H SER A 53 3.268 -6.181 10.404 1.00 0.00 H new ATOM 0 HA SER A 53 3.750 -7.638 7.961 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.548 -7.294 10.396 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.045 -7.711 8.768 1.00 0.00 H new ATOM 0 HG SER A 53 6.215 -5.384 9.509 1.00 0.00 H new ATOM 761 N SER A 54 2.711 -9.749 9.068 1.00 0.00 N ATOM 762 CA SER A 54 2.440 -11.122 9.479 1.00 0.00 C ATOM 763 C SER A 54 3.196 -12.111 8.598 1.00 0.00 C ATOM 764 O SER A 54 3.738 -11.744 7.556 1.00 0.00 O ATOM 765 CB SER A 54 0.939 -11.409 9.416 1.00 0.00 C ATOM 766 OG SER A 54 0.356 -10.825 8.264 1.00 0.00 O ATOM 0 H SER A 54 2.048 -9.373 8.390 1.00 0.00 H new ATOM 0 HA SER A 54 2.782 -11.242 10.507 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.772 -12.486 9.406 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.453 -11.019 10.311 1.00 0.00 H new ATOM 0 HG SER A 54 -0.603 -11.024 8.246 1.00 0.00 H new ATOM 772 N SER A 55 3.228 -13.370 9.025 1.00 0.00 N ATOM 773 CA SER A 55 3.920 -14.413 8.278 1.00 0.00 C ATOM 774 C SER A 55 3.748 -14.211 6.776 1.00 0.00 C ATOM 775 O SER A 55 4.654 -14.494 5.991 1.00 0.00 O ATOM 776 CB SER A 55 3.396 -15.793 8.682 1.00 0.00 C ATOM 777 OG SER A 55 4.302 -16.814 8.303 1.00 0.00 O ATOM 0 H SER A 55 2.783 -13.692 9.884 1.00 0.00 H new ATOM 0 HA SER A 55 4.982 -14.352 8.516 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.239 -15.824 9.760 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.428 -15.969 8.213 1.00 0.00 H new ATOM 0 HG SER A 55 3.945 -17.685 8.574 1.00 0.00 H new ATOM 783 N LYS A 56 2.579 -13.720 6.381 1.00 0.00 N ATOM 784 CA LYS A 56 2.285 -13.478 4.974 1.00 0.00 C ATOM 785 C LYS A 56 2.868 -12.143 4.519 1.00 0.00 C ATOM 786 O LYS A 56 3.713 -12.096 3.625 1.00 0.00 O ATOM 787 CB LYS A 56 0.774 -13.494 4.737 1.00 0.00 C ATOM 788 CG LYS A 56 0.204 -14.887 4.535 1.00 0.00 C ATOM 789 CD LYS A 56 -1.315 -14.879 4.570 1.00 0.00 C ATOM 790 CE LYS A 56 -1.902 -14.617 3.192 1.00 0.00 C ATOM 791 NZ LYS A 56 -2.096 -13.162 2.940 1.00 0.00 N ATOM 0 H LYS A 56 1.818 -13.481 7.017 1.00 0.00 H new ATOM 0 HA LYS A 56 2.746 -14.274 4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.277 -13.027 5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.546 -12.887 3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.545 -15.285 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.583 -15.552 5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.677 -15.837 4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.660 -14.114 5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.242 -15.033 2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.858 -15.132 3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.109 -12.964 2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.738 -12.618 3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.577 -12.886 2.082 1.00 0.00 H new ATOM 805 N VAL A 57 2.412 -11.061 5.140 1.00 0.00 N ATOM 806 CA VAL A 57 2.890 -9.726 4.800 1.00 0.00 C ATOM 807 C VAL A 57 4.124 -9.360 5.617 1.00 0.00 C ATOM 808 O VAL A 57 4.131 -9.489 6.841 1.00 0.00 O ATOM 809 CB VAL A 57 1.799 -8.663 5.033 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.219 -7.328 4.438 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.473 -9.124 4.448 1.00 0.00 C ATOM 0 H VAL A 57 1.712 -11.082 5.882 1.00 0.00 H new ATOM 0 HA VAL A 57 3.150 -9.743 3.742 1.00 0.00 H new ATOM 0 HB VAL A 57 1.669 -8.530 6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.436 -6.590 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.144 -6.995 4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.378 -7.442 3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.286 -8.361 4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.585 -9.287 3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.168 -10.055 4.926 1.00 0.00 H new ATOM 821 N ARG A 58 5.166 -8.902 4.931 1.00 0.00 N ATOM 822 CA ARG A 58 6.407 -8.517 5.593 1.00 0.00 C ATOM 823 C ARG A 58 6.837 -7.116 5.169 1.00 0.00 C ATOM 824 O ARG A 58 7.165 -6.881 4.006 1.00 0.00 O ATOM 825 CB ARG A 58 7.514 -9.522 5.271 1.00 0.00 C ATOM 826 CG ARG A 58 8.898 -9.061 5.699 1.00 0.00 C ATOM 827 CD ARG A 58 9.990 -9.785 4.927 1.00 0.00 C ATOM 828 NE ARG A 58 10.403 -11.019 5.590 1.00 0.00 N ATOM 829 CZ ARG A 58 11.055 -11.049 6.746 1.00 0.00 C ATOM 830 NH1 ARG A 58 11.366 -9.918 7.365 1.00 0.00 N ATOM 831 NH2 ARG A 58 11.397 -12.211 7.287 1.00 0.00 N ATOM 0 H ARG A 58 5.176 -8.788 3.917 1.00 0.00 H new ATOM 0 HA ARG A 58 6.230 -8.514 6.669 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.288 -10.469 5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.519 -9.712 4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.990 -7.987 5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.028 -9.238 6.767 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.633 -10.015 3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.852 -9.127 4.816 1.00 0.00 H new ATOM 0 HE ARG A 58 10.178 -11.906 5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.104 -9.022 6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.867 -9.944 8.253 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.159 -13.083 6.815 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.898 -12.232 8.175 1.00 0.00 H new ATOM 845 N VAL A 59 6.834 -6.188 6.121 1.00 0.00 N ATOM 846 CA VAL A 59 7.224 -4.810 5.846 1.00 0.00 C ATOM 847 C VAL A 59 8.730 -4.625 5.998 1.00 0.00 C ATOM 848 O VAL A 59 9.258 -4.644 7.109 1.00 0.00 O ATOM 849 CB VAL A 59 6.500 -3.825 6.783 1.00 0.00 C ATOM 850 CG1 VAL A 59 6.906 -2.393 6.468 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.993 -3.997 6.674 1.00 0.00 C ATOM 0 H VAL A 59 6.566 -6.365 7.089 1.00 0.00 H new ATOM 0 HA VAL A 59 6.937 -4.598 4.816 1.00 0.00 H new ATOM 0 HB VAL A 59 6.794 -4.043 7.810 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.385 -1.711 7.140 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.982 -2.282 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.642 -2.159 5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.497 -3.293 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.678 -3.806 5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.722 -5.015 6.953 1.00 0.00 H new ATOM 861 N GLU A 60 9.415 -4.447 4.872 1.00 0.00 N ATOM 862 CA GLU A 60 10.861 -4.259 4.880 1.00 0.00 C ATOM 863 C GLU A 60 11.218 -2.783 4.732 1.00 0.00 C ATOM 864 O GLU A 60 10.614 -2.064 3.937 1.00 0.00 O ATOM 865 CB GLU A 60 11.509 -5.068 3.755 1.00 0.00 C ATOM 866 CG GLU A 60 11.731 -6.529 4.106 1.00 0.00 C ATOM 867 CD GLU A 60 12.632 -6.709 5.312 1.00 0.00 C ATOM 868 OE1 GLU A 60 13.830 -6.370 5.215 1.00 0.00 O ATOM 869 OE2 GLU A 60 12.139 -7.190 6.354 1.00 0.00 O ATOM 0 H GLU A 60 8.992 -4.429 3.944 1.00 0.00 H new ATOM 0 HA GLU A 60 11.243 -4.613 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.880 -5.008 2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.467 -4.615 3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.769 -7.002 4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.169 -7.042 3.250 1.00 0.00 H new ATOM 876 N ALA A 61 12.205 -2.338 5.503 1.00 0.00 N ATOM 877 CA ALA A 61 12.645 -0.949 5.457 1.00 0.00 C ATOM 878 C ALA A 61 14.142 -0.856 5.185 1.00 0.00 C ATOM 879 O ALA A 61 14.958 -0.975 6.099 1.00 0.00 O ATOM 880 CB ALA A 61 12.298 -0.242 6.759 1.00 0.00 C ATOM 0 H ALA A 61 12.715 -2.920 6.167 1.00 0.00 H new ATOM 0 HA ALA A 61 12.122 -0.455 4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.632 0.794 6.711 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.219 -0.268 6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.794 -0.745 7.589 1.00 0.00 H new ATOM 886 N VAL A 62 14.498 -0.644 3.922 1.00 0.00 N ATOM 887 CA VAL A 62 15.898 -0.534 3.529 1.00 0.00 C ATOM 888 C VAL A 62 16.251 0.899 3.147 1.00 0.00 C ATOM 889 O VAL A 62 15.429 1.806 3.272 1.00 0.00 O ATOM 890 CB VAL A 62 16.223 -1.465 2.346 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.175 -2.921 2.783 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.264 -1.214 1.192 1.00 0.00 C ATOM 0 H VAL A 62 13.836 -0.545 3.153 1.00 0.00 H new ATOM 0 HA VAL A 62 16.494 -0.833 4.391 1.00 0.00 H new ATOM 0 HB VAL A 62 17.234 -1.247 2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.407 -3.564 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 62 16.906 -3.088 3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.178 -3.157 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.508 -1.880 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.242 -1.403 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.354 -0.179 0.863 1.00 0.00 H new ATOM 902 N GLY A 63 17.480 1.095 2.680 1.00 0.00 N ATOM 903 CA GLY A 63 17.921 2.420 2.286 1.00 0.00 C ATOM 904 C GLY A 63 16.811 3.236 1.654 1.00 0.00 C ATOM 905 O GLY A 63 16.471 3.035 0.488 1.00 0.00 O ATOM 0 H GLY A 63 18.178 0.360 2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.303 2.947 3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.748 2.330 1.582 1.00 0.00 H new ATOM 909 N CYS A 64 16.245 4.158 2.425 1.00 0.00 N ATOM 910 CA CYS A 64 15.164 5.006 1.934 1.00 0.00 C ATOM 911 C CYS A 64 14.283 4.248 0.947 1.00 0.00 C ATOM 912 O CYS A 64 13.946 4.759 -0.122 1.00 0.00 O ATOM 913 CB CYS A 64 15.734 6.260 1.269 1.00 0.00 C ATOM 914 SG CYS A 64 16.625 7.355 2.399 1.00 0.00 S ATOM 0 H CYS A 64 16.516 4.337 3.392 1.00 0.00 H new ATOM 0 HA CYS A 64 14.552 5.301 2.786 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.407 5.959 0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 64 14.918 6.817 0.809 1.00 0.00 H new ATOM 0 HG CYS A 64 17.071 8.385 1.743 1.00 0.00 H new ATOM 920 N THR A 65 13.914 3.024 1.310 1.00 0.00 N ATOM 921 CA THR A 65 13.075 2.193 0.456 1.00 0.00 C ATOM 922 C THR A 65 12.161 1.298 1.286 1.00 0.00 C ATOM 923 O THR A 65 12.630 0.463 2.059 1.00 0.00 O ATOM 924 CB THR A 65 13.924 1.313 -0.481 1.00 0.00 C ATOM 925 OG1 THR A 65 14.416 2.095 -1.575 1.00 0.00 O ATOM 926 CG2 THR A 65 13.108 0.145 -1.013 1.00 0.00 C ATOM 0 H THR A 65 14.183 2.586 2.191 1.00 0.00 H new ATOM 0 HA THR A 65 12.468 2.870 -0.145 1.00 0.00 H new ATOM 0 HB THR A 65 14.764 0.918 0.090 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.235 3.043 -1.407 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.729 -0.462 -1.672 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.759 -0.465 -0.180 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.250 0.524 -1.569 1.00 0.00 H new ATOM 934 N ARG A 66 10.855 1.477 1.119 1.00 0.00 N ATOM 935 CA ARG A 66 9.876 0.686 1.854 1.00 0.00 C ATOM 936 C ARG A 66 9.160 -0.292 0.926 1.00 0.00 C ATOM 937 O ARG A 66 8.290 0.099 0.148 1.00 0.00 O ATOM 938 CB ARG A 66 8.855 1.600 2.533 1.00 0.00 C ATOM 939 CG ARG A 66 9.483 2.648 3.438 1.00 0.00 C ATOM 940 CD ARG A 66 10.096 2.016 4.678 1.00 0.00 C ATOM 941 NE ARG A 66 10.907 2.968 5.433 1.00 0.00 N ATOM 942 CZ ARG A 66 12.170 3.254 5.139 1.00 0.00 C ATOM 943 NH1 ARG A 66 12.764 2.664 4.111 1.00 0.00 N ATOM 944 NH2 ARG A 66 12.842 4.132 5.874 1.00 0.00 N ATOM 0 H ARG A 66 10.451 2.163 0.481 1.00 0.00 H new ATOM 0 HA ARG A 66 10.407 0.116 2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.263 2.101 1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.168 0.990 3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.251 3.193 2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.727 3.375 3.734 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.303 1.628 5.317 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.713 1.167 4.385 1.00 0.00 H new ATOM 0 HE ARG A 66 10.479 3.439 6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.251 1.989 3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.734 2.885 3.887 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.388 4.588 6.666 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.812 4.351 5.647 1.00 0.00 H new ATOM 958 N ARG A 67 9.534 -1.564 1.013 1.00 0.00 N ATOM 959 CA ARG A 67 8.930 -2.597 0.181 1.00 0.00 C ATOM 960 C ARG A 67 8.042 -3.517 1.014 1.00 0.00 C ATOM 961 O ARG A 67 8.424 -3.946 2.103 1.00 0.00 O ATOM 962 CB ARG A 67 10.015 -3.416 -0.521 1.00 0.00 C ATOM 963 CG ARG A 67 10.819 -4.296 0.421 1.00 0.00 C ATOM 964 CD ARG A 67 12.129 -4.740 -0.211 1.00 0.00 C ATOM 965 NE ARG A 67 12.758 -5.825 0.536 1.00 0.00 N ATOM 966 CZ ARG A 67 12.447 -7.106 0.374 1.00 0.00 C ATOM 967 NH1 ARG A 67 11.521 -7.461 -0.506 1.00 0.00 N ATOM 968 NH2 ARG A 67 13.065 -8.036 1.092 1.00 0.00 N ATOM 0 H ARG A 67 10.253 -1.904 1.652 1.00 0.00 H new ATOM 0 HA ARG A 67 8.311 -2.107 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.550 -4.043 -1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.693 -2.737 -1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.025 -3.751 1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.230 -5.172 0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.945 -5.064 -1.235 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.812 -3.892 -0.263 1.00 0.00 H new ATOM 0 HE ARG A 67 13.476 -5.586 1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.045 -6.749 -1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.284 -8.446 -0.628 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.779 -7.767 1.769 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.826 -9.020 0.967 1.00 0.00 H new ATOM 982 N LEU A 68 6.857 -3.816 0.495 1.00 0.00 N ATOM 983 CA LEU A 68 5.914 -4.685 1.190 1.00 0.00 C ATOM 984 C LEU A 68 5.739 -6.005 0.446 1.00 0.00 C ATOM 985 O LEU A 68 5.064 -6.066 -0.581 1.00 0.00 O ATOM 986 CB LEU A 68 4.561 -3.987 1.339 1.00 0.00 C ATOM 987 CG LEU A 68 3.582 -4.624 2.325 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.769 -4.039 3.717 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.148 -4.432 1.853 1.00 0.00 C ATOM 0 H LEU A 68 6.526 -3.469 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 68 6.317 -4.898 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.738 -2.957 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.085 -3.948 0.359 1.00 0.00 H new ATOM 0 HG LEU A 68 3.788 -5.693 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.063 -4.505 4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.787 -4.229 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.591 -2.964 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.465 -4.892 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.930 -3.367 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.021 -4.900 0.877 1.00 0.00 H new ATOM 1001 N VAL A 69 6.350 -7.061 0.974 1.00 0.00 N ATOM 1002 CA VAL A 69 6.260 -8.381 0.362 1.00 0.00 C ATOM 1003 C VAL A 69 5.022 -9.128 0.846 1.00 0.00 C ATOM 1004 O VAL A 69 4.950 -9.548 2.001 1.00 0.00 O ATOM 1005 CB VAL A 69 7.509 -9.228 0.667 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.388 -10.606 0.034 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.765 -8.519 0.184 1.00 0.00 C ATOM 0 H VAL A 69 6.913 -7.028 1.824 1.00 0.00 H new ATOM 0 HA VAL A 69 6.190 -8.226 -0.715 1.00 0.00 H new ATOM 0 HB VAL A 69 7.584 -9.356 1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.280 -11.190 0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.510 -11.114 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.287 -10.503 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.638 -9.132 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.701 -8.358 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.857 -7.558 0.690 1.00 0.00 H new ATOM 1017 N VAL A 70 4.048 -9.289 -0.044 1.00 0.00 N ATOM 1018 CA VAL A 70 2.813 -9.987 0.291 1.00 0.00 C ATOM 1019 C VAL A 70 2.875 -11.449 -0.134 1.00 0.00 C ATOM 1020 O VAL A 70 2.551 -11.788 -1.272 1.00 0.00 O ATOM 1021 CB VAL A 70 1.594 -9.321 -0.374 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.339 -10.146 -0.136 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.414 -7.902 0.144 1.00 0.00 C ATOM 0 H VAL A 70 4.091 -8.945 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 70 2.702 -9.932 1.374 1.00 0.00 H new ATOM 0 HB VAL A 70 1.770 -9.272 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.512 -9.660 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.472 -11.142 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.156 -10.229 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.548 -7.446 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.260 -7.925 1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.305 -7.316 -0.083 1.00 0.00 H new ATOM 1033 N GLN A 71 3.292 -12.311 0.787 1.00 0.00 N ATOM 1034 CA GLN A 71 3.396 -13.738 0.507 1.00 0.00 C ATOM 1035 C GLN A 71 2.016 -14.356 0.309 1.00 0.00 C ATOM 1036 O GLN A 71 1.100 -14.115 1.094 1.00 0.00 O ATOM 1037 CB GLN A 71 4.129 -14.451 1.645 1.00 0.00 C ATOM 1038 CG GLN A 71 5.559 -13.974 1.841 1.00 0.00 C ATOM 1039 CD GLN A 71 6.418 -14.989 2.567 1.00 0.00 C ATOM 1040 OE1 GLN A 71 6.211 -16.197 2.444 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.391 -14.504 3.331 1.00 0.00 N ATOM 0 H GLN A 71 3.563 -12.046 1.734 1.00 0.00 H new ATOM 0 HA GLN A 71 3.965 -13.861 -0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.575 -14.303 2.572 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.136 -15.523 1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.002 -13.758 0.869 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.553 -13.040 2.403 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.527 -13.496 3.404 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.002 -15.140 3.844 1.00 0.00 H new ATOM 1050 N GLN A 72 1.875 -15.153 -0.746 1.00 0.00 N ATOM 1051 CA GLN A 72 0.606 -15.804 -1.047 1.00 0.00 C ATOM 1052 C GLN A 72 -0.478 -14.773 -1.342 1.00 0.00 C ATOM 1053 O GLN A 72 -1.542 -14.782 -0.724 1.00 0.00 O ATOM 1054 CB GLN A 72 0.175 -16.693 0.121 1.00 0.00 C ATOM 1055 CG GLN A 72 0.734 -18.106 0.049 1.00 0.00 C ATOM 1056 CD GLN A 72 0.147 -19.020 1.106 1.00 0.00 C ATOM 1057 OE1 GLN A 72 -0.937 -19.576 0.930 1.00 0.00 O ATOM 1058 NE2 GLN A 72 0.863 -19.181 2.213 1.00 0.00 N ATOM 0 H GLN A 72 2.624 -15.363 -1.406 1.00 0.00 H new ATOM 0 HA GLN A 72 0.745 -16.422 -1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.495 -16.232 1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.914 -16.743 0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.533 -18.522 -0.938 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.817 -18.071 0.166 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.757 -18.701 2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.519 -19.785 2.959 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.200 -13.885 -2.292 1.00 0.00 N ATOM 1068 CA ALA A 73 -1.152 -12.849 -2.670 1.00 0.00 C ATOM 1069 C ALA A 73 -2.442 -13.458 -3.210 1.00 0.00 C ATOM 1070 O ALA A 73 -2.478 -13.966 -4.330 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.535 -11.916 -3.702 1.00 0.00 C ATOM 0 H ALA A 73 0.677 -13.863 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.398 -12.274 -1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.257 -11.147 -3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.354 -11.446 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.259 -12.486 -4.589 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.499 -13.405 -2.405 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.775 -13.957 -2.820 1.00 0.00 C ATOM 1079 C GLY A 74 -5.847 -12.895 -2.961 1.00 0.00 C ATOM 1080 O GLY A 74 -5.664 -11.758 -2.526 1.00 0.00 O ATOM 0 H GLY A 74 -3.494 -12.990 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.652 -14.473 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.099 -14.702 -2.093 1.00 0.00 H new ATOM 1084 N GLN A 75 -6.968 -13.265 -3.572 1.00 0.00 N ATOM 1085 CA GLN A 75 -8.072 -12.334 -3.771 1.00 0.00 C ATOM 1086 C GLN A 75 -8.189 -11.368 -2.596 1.00 0.00 C ATOM 1087 O GLN A 75 -8.324 -10.159 -2.785 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.386 -13.098 -3.950 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.478 -13.847 -5.269 1.00 0.00 C ATOM 1090 CD GLN A 75 -9.056 -13.000 -6.453 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -9.343 -11.804 -6.509 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -8.370 -13.616 -7.408 1.00 0.00 N ATOM 0 H GLN A 75 -7.135 -14.202 -3.938 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.869 -11.757 -4.673 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.499 -13.807 -3.130 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.217 -12.396 -3.881 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.850 -14.737 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.503 -14.188 -5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.154 -14.609 -7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.059 -13.096 -8.229 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.136 -11.910 -1.384 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.233 -11.096 -0.179 1.00 0.00 C ATOM 1103 C ALA A 76 -7.148 -10.024 -0.151 1.00 0.00 C ATOM 1104 O ALA A 76 -7.429 -8.851 0.092 1.00 0.00 O ATOM 1105 CB ALA A 76 -8.142 -11.974 1.060 1.00 0.00 C ATOM 0 H ALA A 76 -8.026 -12.909 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.201 -10.596 -0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.216 -11.353 1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.957 -12.698 1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.188 -12.501 1.063 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.909 -10.436 -0.399 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.783 -9.511 -0.400 1.00 0.00 C ATOM 1113 C GLU A 77 -4.960 -8.440 -1.473 1.00 0.00 C ATOM 1114 O GLU A 77 -4.647 -7.270 -1.254 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.473 -10.267 -0.630 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.944 -10.961 0.614 1.00 0.00 C ATOM 1117 CD GLU A 77 -3.099 -10.116 1.864 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -4.206 -10.109 2.441 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -2.113 -9.462 2.264 1.00 0.00 O ATOM 0 H GLU A 77 -5.660 -11.404 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.746 -9.023 0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.625 -11.010 -1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.720 -9.569 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.471 -11.905 0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.891 -11.202 0.471 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.463 -8.850 -2.632 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.683 -7.926 -3.739 1.00 0.00 C ATOM 1128 C ALA A 78 -6.636 -6.806 -3.337 1.00 0.00 C ATOM 1129 O ALA A 78 -7.723 -7.058 -2.818 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.223 -8.673 -4.949 1.00 0.00 C ATOM 0 H ALA A 78 -5.726 -9.815 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.726 -7.476 -4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.383 -7.972 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.505 -9.433 -5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.168 -9.150 -4.690 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.221 -5.566 -3.580 1.00 0.00 N ATOM 1137 CA GLY A 79 -7.049 -4.425 -3.236 1.00 0.00 C ATOM 1138 C GLY A 79 -6.329 -3.106 -3.429 1.00 0.00 C ATOM 1139 O GLY A 79 -5.903 -2.780 -4.536 1.00 0.00 O ATOM 0 H GLY A 79 -5.326 -5.332 -4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.950 -4.436 -3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.369 -4.512 -2.198 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.193 -2.344 -2.348 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.521 -1.052 -2.405 1.00 0.00 C ATOM 1145 C GLU A 80 -4.682 -0.819 -1.151 1.00 0.00 C ATOM 1146 O GLU A 80 -5.216 -0.696 -0.048 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.544 0.074 -2.563 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.933 0.344 -4.007 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.888 1.514 -4.145 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -7.466 2.658 -3.877 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -9.057 1.286 -4.521 1.00 0.00 O ATOM 0 H GLU A 80 -6.539 -2.599 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.858 -1.055 -3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.440 -0.178 -1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.137 0.987 -2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.034 0.543 -4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.395 -0.549 -4.428 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.367 -0.759 -1.328 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.455 -0.544 -0.212 1.00 0.00 C ATOM 1160 C TYR A 81 -1.987 0.908 -0.163 1.00 0.00 C ATOM 1161 O TYR A 81 -1.635 1.494 -1.186 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.248 -1.477 -0.325 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.595 -2.938 -0.154 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.392 -3.597 -1.082 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -1.126 -3.661 0.936 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.712 -4.932 -0.930 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.439 -4.997 1.096 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.233 -5.628 0.161 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.549 -6.958 0.317 1.00 0.00 O ATOM 0 H TYR A 81 -2.909 -0.856 -2.234 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.992 -0.765 0.711 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.779 -1.335 -1.299 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.511 -1.197 0.427 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.768 -3.056 -1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.506 -3.170 1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.333 -5.428 -1.661 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.064 -5.544 1.948 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.465 -7.115 0.005 1.00 0.00 H new ATOM 1179 N SER A 82 -1.984 1.482 1.036 1.00 0.00 N ATOM 1180 CA SER A 82 -1.563 2.865 1.221 1.00 0.00 C ATOM 1181 C SER A 82 -0.437 2.958 2.247 1.00 0.00 C ATOM 1182 O SER A 82 -0.631 2.660 3.426 1.00 0.00 O ATOM 1183 CB SER A 82 -2.747 3.726 1.666 1.00 0.00 C ATOM 1184 OG SER A 82 -3.852 3.563 0.795 1.00 0.00 O ATOM 0 H SER A 82 -2.269 1.010 1.894 1.00 0.00 H new ATOM 0 HA SER A 82 -1.192 3.237 0.266 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.037 3.454 2.681 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.450 4.774 1.689 1.00 0.00 H new ATOM 0 HG SER A 82 -4.596 4.122 1.102 1.00 0.00 H new ATOM 1190 N CYS A 83 0.738 3.374 1.789 1.00 0.00 N ATOM 1191 CA CYS A 83 1.897 3.506 2.666 1.00 0.00 C ATOM 1192 C CYS A 83 1.946 4.894 3.296 1.00 0.00 C ATOM 1193 O CYS A 83 2.405 5.851 2.674 1.00 0.00 O ATOM 1194 CB CYS A 83 3.185 3.240 1.886 1.00 0.00 C ATOM 1195 SG CYS A 83 4.692 3.401 2.873 1.00 0.00 S ATOM 0 H CYS A 83 0.914 3.626 0.816 1.00 0.00 H new ATOM 0 HA CYS A 83 1.805 2.768 3.463 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.143 2.234 1.468 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.238 3.932 1.046 1.00 0.00 H new ATOM 0 HG CYS A 83 5.728 3.155 2.127 1.00 0.00 H new ATOM 1201 N GLU A 84 1.470 4.994 4.533 1.00 0.00 N ATOM 1202 CA GLU A 84 1.458 6.266 5.245 1.00 0.00 C ATOM 1203 C GLU A 84 2.735 6.444 6.062 1.00 0.00 C ATOM 1204 O GLU A 84 3.114 5.568 6.839 1.00 0.00 O ATOM 1205 CB GLU A 84 0.237 6.351 6.163 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.272 7.767 6.370 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.016 7.934 7.681 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -0.354 7.957 8.740 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -2.260 8.042 7.648 1.00 0.00 O ATOM 0 H GLU A 84 1.088 4.210 5.062 1.00 0.00 H new ATOM 0 HA GLU A 84 1.405 7.066 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.565 5.743 5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.491 5.920 7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.570 8.459 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.932 8.036 5.545 1.00 0.00 H new ATOM 1216 N ALA A 85 3.393 7.584 5.880 1.00 0.00 N ATOM 1217 CA ALA A 85 4.626 7.878 6.600 1.00 0.00 C ATOM 1218 C ALA A 85 4.502 9.174 7.394 1.00 0.00 C ATOM 1219 O ALA A 85 5.489 9.692 7.913 1.00 0.00 O ATOM 1220 CB ALA A 85 5.796 7.960 5.631 1.00 0.00 C ATOM 0 H ALA A 85 3.093 8.319 5.240 1.00 0.00 H new ATOM 0 HA ALA A 85 4.809 7.067 7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.710 8.180 6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.906 7.008 5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.611 8.751 4.904 1.00 0.00 H new ATOM 1226 N GLY A 86 3.281 9.693 7.484 1.00 0.00 N ATOM 1227 CA GLY A 86 3.051 10.925 8.215 1.00 0.00 C ATOM 1228 C GLY A 86 2.417 12.001 7.355 1.00 0.00 C ATOM 1229 O GLY A 86 3.114 12.757 6.681 1.00 0.00 O ATOM 0 H GLY A 86 2.447 9.282 7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.407 10.721 9.070 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.998 11.292 8.610 1.00 0.00 H new ATOM 1233 N GLY A 87 1.089 12.068 7.377 1.00 0.00 N ATOM 1234 CA GLY A 87 0.383 13.060 6.588 1.00 0.00 C ATOM 1235 C GLY A 87 0.268 12.666 5.129 1.00 0.00 C ATOM 1236 O GLY A 87 -0.777 12.859 4.509 1.00 0.00 O ATOM 0 H GLY A 87 0.490 11.453 7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.615 13.205 7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.902 14.016 6.663 1.00 0.00 H new ATOM 1240 N GLN A 88 1.345 12.114 4.580 1.00 0.00 N ATOM 1241 CA GLN A 88 1.360 11.694 3.184 1.00 0.00 C ATOM 1242 C GLN A 88 1.343 10.173 3.072 1.00 0.00 C ATOM 1243 O GLN A 88 1.859 9.472 3.943 1.00 0.00 O ATOM 1244 CB GLN A 88 2.593 12.255 2.474 1.00 0.00 C ATOM 1245 CG GLN A 88 2.440 13.705 2.041 1.00 0.00 C ATOM 1246 CD GLN A 88 3.772 14.401 1.849 1.00 0.00 C ATOM 1247 OE1 GLN A 88 4.092 15.361 2.550 1.00 0.00 O ATOM 1248 NE2 GLN A 88 4.560 13.919 0.894 1.00 0.00 N ATOM 0 H GLN A 88 2.218 11.947 5.080 1.00 0.00 H new ATOM 0 HA GLN A 88 0.463 12.085 2.704 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.453 12.172 3.138 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.807 11.643 1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.876 13.744 1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.858 14.244 2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.256 13.121 0.336 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.469 14.347 0.719 1.00 0.00 H new ATOM 1257 N GLN A 89 0.747 9.670 1.996 1.00 0.00 N ATOM 1258 CA GLN A 89 0.662 8.232 1.772 1.00 0.00 C ATOM 1259 C GLN A 89 0.351 7.925 0.311 1.00 0.00 C ATOM 1260 O GLN A 89 -0.621 8.435 -0.248 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.409 7.616 2.674 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.824 8.045 2.318 1.00 0.00 C ATOM 1263 CD GLN A 89 -2.863 7.467 3.258 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -2.533 6.732 4.190 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -4.127 7.796 3.018 1.00 0.00 N ATOM 0 H GLN A 89 0.316 10.237 1.266 1.00 0.00 H new ATOM 0 HA GLN A 89 1.630 7.794 2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.342 6.530 2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.204 7.892 3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.886 9.133 2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.049 7.733 1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.355 8.408 2.234 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.870 7.437 3.617 1.00 0.00 H new ATOM 1274 N LEU A 90 1.182 7.090 -0.303 1.00 0.00 N ATOM 1275 CA LEU A 90 0.996 6.716 -1.701 1.00 0.00 C ATOM 1276 C LEU A 90 -0.008 5.574 -1.830 1.00 0.00 C ATOM 1277 O LEU A 90 -0.318 4.894 -0.852 1.00 0.00 O ATOM 1278 CB LEU A 90 2.333 6.308 -2.322 1.00 0.00 C ATOM 1279 CG LEU A 90 3.497 7.274 -2.104 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.825 6.539 -2.192 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.446 8.409 -3.117 1.00 0.00 C ATOM 0 H LEU A 90 1.991 6.659 0.145 1.00 0.00 H new ATOM 0 HA LEU A 90 0.604 7.582 -2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.615 5.335 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.189 6.181 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 90 3.407 7.701 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.642 7.243 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.863 5.763 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.924 6.083 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.282 9.087 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.510 8.000 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.509 8.954 -3.006 1.00 0.00 H new ATOM 1293 N SER A 91 -0.509 5.368 -3.043 1.00 0.00 N ATOM 1294 CA SER A 91 -1.478 4.310 -3.300 1.00 0.00 C ATOM 1295 C SER A 91 -0.863 3.204 -4.153 1.00 0.00 C ATOM 1296 O SER A 91 -0.024 3.464 -5.015 1.00 0.00 O ATOM 1297 CB SER A 91 -2.715 4.880 -3.998 1.00 0.00 C ATOM 1298 OG SER A 91 -2.934 6.229 -3.626 1.00 0.00 O ATOM 0 H SER A 91 -0.260 5.920 -3.864 1.00 0.00 H new ATOM 0 HA SER A 91 -1.775 3.883 -2.342 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.590 4.813 -5.079 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.589 4.282 -3.741 1.00 0.00 H new ATOM 0 HG SER A 91 -2.503 6.822 -4.276 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.286 1.969 -3.905 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.777 0.823 -4.648 1.00 0.00 C ATOM 1306 C PHE A 92 -1.882 -0.200 -4.895 1.00 0.00 C ATOM 1307 O PHE A 92 -2.352 -0.858 -3.968 1.00 0.00 O ATOM 1308 CB PHE A 92 0.379 0.168 -3.888 1.00 0.00 C ATOM 1309 CG PHE A 92 1.664 0.941 -3.970 1.00 0.00 C ATOM 1310 CD1 PHE A 92 1.898 2.014 -3.125 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.639 0.594 -4.891 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.080 2.727 -3.199 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.823 1.303 -4.969 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.044 2.370 -4.121 1.00 0.00 C ATOM 0 H PHE A 92 -1.980 1.736 -3.195 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.414 1.179 -5.612 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.098 0.056 -2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.541 -0.835 -4.283 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.149 2.296 -2.400 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.472 -0.240 -5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.249 3.563 -2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.574 1.023 -5.692 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.969 2.924 -4.179 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.292 -0.326 -6.153 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.343 -1.266 -6.523 1.00 0.00 C ATOM 1326 C ARG A 93 -2.762 -2.650 -6.801 1.00 0.00 C ATOM 1327 O ARG A 93 -2.118 -2.870 -7.827 1.00 0.00 O ATOM 1328 CB ARG A 93 -4.097 -0.762 -7.755 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.301 -1.614 -8.122 1.00 0.00 C ATOM 1330 CD ARG A 93 -6.488 -1.321 -7.217 1.00 0.00 C ATOM 1331 NE ARG A 93 -7.254 -0.166 -7.676 1.00 0.00 N ATOM 1332 CZ ARG A 93 -7.907 -0.129 -8.832 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -7.886 -1.178 -9.643 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.582 0.959 -9.180 1.00 0.00 N ATOM 0 H ARG A 93 -1.912 0.211 -6.933 1.00 0.00 H new ATOM 0 HA ARG A 93 -4.037 -1.343 -5.686 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.428 0.261 -7.575 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.412 -0.731 -8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.578 -1.427 -9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -5.038 -2.669 -8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.138 -2.195 -7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.134 -1.141 -6.202 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.290 0.658 -7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.368 -2.016 -9.380 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.388 -1.147 -10.530 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.600 1.768 -8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.083 0.986 -10.068 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.992 -3.578 -5.879 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.491 -4.941 -6.024 1.00 0.00 C ATOM 1350 C LEU A 94 -3.555 -5.851 -6.629 1.00 0.00 C ATOM 1351 O LEU A 94 -4.675 -5.932 -6.125 1.00 0.00 O ATOM 1352 CB LEU A 94 -2.048 -5.489 -4.666 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.819 -6.999 -4.594 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.731 -7.421 -5.568 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.460 -7.417 -3.176 1.00 0.00 C ATOM 0 H LEU A 94 -3.522 -3.412 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.634 -4.917 -6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.124 -4.987 -4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.801 -5.220 -3.925 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.744 -7.501 -4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.582 -8.499 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.029 -7.157 -6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.199 -6.910 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.301 -8.495 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.549 -6.906 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.273 -7.150 -2.501 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.196 -6.534 -7.711 1.00 0.00 N ATOM 1368 CA GLN A 95 -4.120 -7.440 -8.383 1.00 0.00 C ATOM 1369 C GLN A 95 -3.572 -8.863 -8.400 1.00 0.00 C ATOM 1370 O GLN A 95 -2.400 -9.084 -8.703 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.382 -6.965 -9.813 1.00 0.00 C ATOM 1372 CG GLN A 95 -5.343 -5.789 -9.898 1.00 0.00 C ATOM 1373 CD GLN A 95 -5.728 -5.451 -11.324 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -5.437 -6.205 -12.253 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -6.386 -4.312 -11.506 1.00 0.00 N ATOM 0 H GLN A 95 -2.273 -6.477 -8.141 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.059 -7.439 -7.829 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.435 -6.683 -10.273 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.784 -7.795 -10.395 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.243 -6.018 -9.328 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.885 -4.916 -9.433 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.607 -3.717 -10.707 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -6.671 -4.032 -12.445 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.429 -9.825 -8.072 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.031 -11.228 -8.050 1.00 0.00 C ATOM 1386 C VAL A 96 -4.640 -11.990 -9.222 1.00 0.00 C ATOM 1387 O VAL A 96 -5.831 -11.867 -9.503 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.450 -11.910 -6.734 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.194 -13.408 -6.804 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -3.716 -11.289 -5.556 1.00 0.00 C ATOM 0 H VAL A 96 -5.403 -9.659 -7.818 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.944 -11.250 -8.131 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.519 -11.755 -6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.496 -13.873 -5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.770 -13.838 -7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.132 -13.588 -6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.024 -11.783 -4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.641 -11.411 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.956 -10.227 -5.497 1.00 0.00 H new ATOM 1400 N ALA A 97 -3.813 -12.779 -9.901 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.271 -13.564 -11.041 1.00 0.00 C ATOM 1402 C ALA A 97 -4.711 -14.958 -10.606 1.00 0.00 C ATOM 1403 O ALA A 97 -3.915 -15.735 -10.082 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.174 -13.658 -12.091 1.00 0.00 C ATOM 0 H ALA A 97 -2.823 -12.891 -9.681 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.133 -13.059 -11.476 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.529 -14.247 -12.937 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.909 -12.657 -12.431 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.296 -14.138 -11.658 1.00 0.00 H new ATOM 1410 N GLY A 98 -5.985 -15.267 -10.827 1.00 0.00 N ATOM 1411 CA GLY A 98 -6.509 -16.567 -10.451 1.00 0.00 C ATOM 1412 C GLY A 98 -6.980 -16.608 -9.011 1.00 0.00 C ATOM 1413 O GLY A 98 -6.887 -15.613 -8.293 1.00 0.00 O ATOM 0 H GLY A 98 -6.664 -14.640 -11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.339 -16.825 -11.109 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.738 -17.323 -10.599 1.00 0.00 H new ATOM 1417 N GLN A 99 -7.489 -17.761 -8.589 1.00 0.00 N ATOM 1418 CA GLN A 99 -7.978 -17.926 -7.226 1.00 0.00 C ATOM 1419 C GLN A 99 -6.874 -18.442 -6.309 1.00 0.00 C ATOM 1420 O GLN A 99 -6.029 -19.235 -6.725 1.00 0.00 O ATOM 1421 CB GLN A 99 -9.168 -18.888 -7.202 1.00 0.00 C ATOM 1422 CG GLN A 99 -9.661 -19.211 -5.800 1.00 0.00 C ATOM 1423 CD GLN A 99 -10.857 -20.142 -5.802 1.00 0.00 C ATOM 1424 OE1 GLN A 99 -10.712 -21.358 -5.674 1.00 0.00 O ATOM 1425 NE2 GLN A 99 -12.049 -19.575 -5.949 1.00 0.00 N ATOM 0 H GLN A 99 -7.573 -18.594 -9.171 1.00 0.00 H new ATOM 0 HA GLN A 99 -8.300 -16.950 -6.862 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.987 -18.454 -7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.886 -19.815 -7.701 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -8.851 -19.667 -5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.927 -18.285 -5.290 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.123 -18.563 -6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.890 -20.152 -5.959 1.00 0.00 H new ATOM 1434 N CYS A 100 -6.886 -17.985 -5.062 1.00 0.00 N ATOM 1435 CA CYS A 100 -5.885 -18.400 -4.086 1.00 0.00 C ATOM 1436 C CYS A 100 -6.366 -19.609 -3.292 1.00 0.00 C ATOM 1437 O CYS A 100 -7.442 -19.584 -2.694 1.00 0.00 O ATOM 1438 CB CYS A 100 -5.561 -17.246 -3.135 1.00 0.00 C ATOM 1439 SG CYS A 100 -4.100 -17.524 -2.107 1.00 0.00 S ATOM 0 H CYS A 100 -7.578 -17.327 -4.703 1.00 0.00 H new ATOM 0 HA CYS A 100 -4.981 -18.681 -4.627 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -5.413 -16.338 -3.720 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -6.420 -17.071 -2.487 1.00 0.00 H new ATOM 0 HG CYS A 100 -3.907 -16.493 -1.339 1.00 0.00 H new ATOM 1445 N PHE A 101 -5.563 -20.668 -3.292 1.00 0.00 N ATOM 1446 CA PHE A 101 -5.909 -21.890 -2.574 1.00 0.00 C ATOM 1447 C PHE A 101 -6.007 -21.629 -1.073 1.00 0.00 C ATOM 1448 O PHE A 101 -5.461 -20.650 -0.565 1.00 0.00 O ATOM 1449 CB PHE A 101 -4.870 -22.979 -2.847 1.00 0.00 C ATOM 1450 CG PHE A 101 -5.029 -23.636 -4.188 1.00 0.00 C ATOM 1451 CD1 PHE A 101 -5.926 -24.678 -4.361 1.00 0.00 C ATOM 1452 CD2 PHE A 101 -4.282 -23.212 -5.276 1.00 0.00 C ATOM 1453 CE1 PHE A 101 -6.074 -25.285 -5.594 1.00 0.00 C ATOM 1454 CE2 PHE A 101 -4.426 -23.816 -6.511 1.00 0.00 C ATOM 1455 CZ PHE A 101 -5.324 -24.853 -6.670 1.00 0.00 C ATOM 0 H PHE A 101 -4.669 -20.705 -3.781 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.882 -22.229 -2.931 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.873 -22.544 -2.781 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -4.939 -23.739 -2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.516 -25.020 -3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.579 -22.400 -5.157 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -6.776 -26.097 -5.716 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.837 -23.477 -7.350 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.440 -25.325 -7.634 1.00 0.00 H new ATOM 1465 N GLY A 102 -6.707 -22.514 -0.369 1.00 0.00 N ATOM 1466 CA GLY A 102 -6.864 -22.362 1.065 1.00 0.00 C ATOM 1467 C GLY A 102 -7.210 -23.668 1.752 1.00 0.00 C ATOM 1468 O GLY A 102 -7.960 -23.685 2.728 1.00 0.00 O ATOM 0 H GLY A 102 -7.168 -23.333 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.941 -21.966 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.647 -21.631 1.266 1.00 0.00 H new TER 1472 GLY A 102