USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 582 hydrogens (5 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= -0.17 (180deg=-0.596) USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0146) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -2.13 (180deg=-3.8) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -152:sc= -0.147 (180deg=-0.515) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= -0.887 (180deg=-1) USER MOD Single : A 101 HTS O1 : rot -58:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.827 -6.132 14.012 1.00 0.00 N ATOM 2 CA GLY A 1 -14.694 -4.971 14.934 1.00 0.00 C ATOM 3 C GLY A 1 -14.443 -3.670 14.197 1.00 0.00 C ATOM 4 O GLY A 1 -15.298 -2.785 14.178 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.997 -6.996 14.565 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.625 -5.972 13.365 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.951 -6.240 13.461 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.602 -4.878 15.529 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.875 -5.155 15.629 1.00 0.00 H new ATOM 10 N SER A 2 -13.267 -3.554 13.588 1.00 0.00 N ATOM 11 CA SER A 2 -12.906 -2.352 12.845 1.00 0.00 C ATOM 12 C SER A 2 -12.644 -2.677 11.379 1.00 0.00 C ATOM 13 O SER A 2 -12.169 -3.763 11.048 1.00 0.00 O ATOM 14 CB SER A 2 -11.668 -1.699 13.463 1.00 0.00 C ATOM 15 OG SER A 2 -11.708 -1.766 14.878 1.00 0.00 O ATOM 0 H SER A 2 -12.548 -4.278 13.594 1.00 0.00 H new ATOM 0 HA SER A 2 -13.743 -1.656 12.900 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.770 -2.197 13.098 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.606 -0.658 13.147 1.00 0.00 H new ATOM 0 HG SER A 2 -10.905 -1.343 15.248 1.00 0.00 H new ATOM 21 N ARG A 3 -12.958 -1.727 10.504 1.00 0.00 N ATOM 22 CA ARG A 3 -12.756 -1.911 9.070 1.00 0.00 C ATOM 23 C ARG A 3 -11.583 -1.072 8.575 1.00 0.00 C ATOM 24 O ARG A 3 -10.591 -1.605 8.078 1.00 0.00 O ATOM 25 CB ARG A 3 -14.025 -1.539 8.303 1.00 0.00 C ATOM 26 CG ARG A 3 -14.096 -2.150 6.913 1.00 0.00 C ATOM 27 CD ARG A 3 -13.467 -1.241 5.871 1.00 0.00 C ATOM 28 NE ARG A 3 -14.248 -0.024 5.662 1.00 0.00 N ATOM 29 CZ ARG A 3 -15.353 0.029 4.923 1.00 0.00 C ATOM 30 NH1 ARG A 3 -15.811 -1.062 4.321 1.00 0.00 N ATOM 31 NH2 ARG A 3 -16.004 1.177 4.786 1.00 0.00 N ATOM 0 H ARG A 3 -13.353 -0.823 10.762 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.528 -2.962 8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.894 -1.860 8.877 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.083 -0.454 8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.586 -3.113 6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.137 -2.340 6.651 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.458 -0.974 6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.376 -1.780 4.928 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.927 0.835 6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.315 -1.947 4.424 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.659 -1.015 3.756 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.657 2.018 5.247 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.851 1.218 4.220 1.00 0.00 H new ATOM 45 N VAL A 4 -11.703 0.245 8.714 1.00 0.00 N ATOM 46 CA VAL A 4 -10.653 1.158 8.280 1.00 0.00 C ATOM 47 C VAL A 4 -9.342 0.875 9.006 1.00 0.00 C ATOM 48 O VAL A 4 -8.265 0.972 8.421 1.00 0.00 O ATOM 49 CB VAL A 4 -11.051 2.627 8.519 1.00 0.00 C ATOM 50 CG1 VAL A 4 -10.042 3.566 7.876 1.00 0.00 C ATOM 51 CG2 VAL A 4 -12.451 2.893 7.987 1.00 0.00 C ATOM 0 H VAL A 4 -12.517 0.703 9.124 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.516 0.995 7.211 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.053 2.814 9.593 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.340 4.599 8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.057 3.392 8.308 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.005 3.381 6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.716 3.935 8.164 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -12.478 2.689 6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.164 2.246 8.498 1.00 0.00 H new ATOM 61 N LYS A 5 -9.442 0.523 10.285 1.00 0.00 N ATOM 62 CA LYS A 5 -8.262 0.222 11.090 1.00 0.00 C ATOM 63 C LYS A 5 -7.453 -0.912 10.464 1.00 0.00 C ATOM 64 O LYS A 5 -6.239 -0.996 10.646 1.00 0.00 O ATOM 65 CB LYS A 5 -8.671 -0.153 12.515 1.00 0.00 C ATOM 66 CG LYS A 5 -8.674 1.024 13.476 1.00 0.00 C ATOM 67 CD LYS A 5 -7.276 1.592 13.667 1.00 0.00 C ATOM 68 CE LYS A 5 -6.661 1.134 14.981 1.00 0.00 C ATOM 69 NZ LYS A 5 -6.581 2.242 15.972 1.00 0.00 N ATOM 0 H LYS A 5 -10.327 0.439 10.786 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.638 1.115 11.124 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.666 -0.597 12.494 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.990 -0.916 12.891 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.336 1.803 13.097 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.074 0.707 14.439 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.640 1.281 12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.319 2.681 13.644 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.254 0.319 15.395 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.662 0.739 14.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.156 1.889 16.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.994 3.010 15.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.537 2.602 16.168 1.00 0.00 H new ATOM 83 N ALA A 6 -8.137 -1.779 9.726 1.00 0.00 N ATOM 84 CA ALA A 6 -7.491 -2.908 9.067 1.00 0.00 C ATOM 85 C ALA A 6 -6.830 -2.477 7.762 1.00 0.00 C ATOM 86 O ALA A 6 -5.888 -3.113 7.293 1.00 0.00 O ATOM 87 CB ALA A 6 -8.500 -4.017 8.809 1.00 0.00 C ATOM 0 H ALA A 6 -9.143 -1.721 9.569 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.713 -3.287 9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.004 -4.853 8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.922 -4.352 9.756 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.298 -3.641 8.169 1.00 0.00 H new ATOM 93 N LEU A 7 -7.338 -1.399 7.174 1.00 0.00 N ATOM 94 CA LEU A 7 -6.802 -0.886 5.918 1.00 0.00 C ATOM 95 C LEU A 7 -5.422 -0.261 6.121 1.00 0.00 C ATOM 96 O LEU A 7 -4.583 -0.282 5.220 1.00 0.00 O ATOM 97 CB LEU A 7 -7.760 0.150 5.323 1.00 0.00 C ATOM 98 CG LEU A 7 -8.017 0.010 3.822 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.882 1.157 3.323 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.702 -0.040 3.060 1.00 0.00 C ATOM 0 H LEU A 7 -8.121 -0.863 7.548 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.699 -1.723 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.714 0.083 5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.359 1.145 5.516 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.550 -0.924 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.056 1.043 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.837 1.148 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.374 2.103 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.903 -0.140 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.142 0.878 3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.117 -0.894 3.400 1.00 0.00 H new ATOM 112 N GLU A 8 -5.197 0.299 7.305 1.00 0.00 N ATOM 113 CA GLU A 8 -3.922 0.937 7.620 1.00 0.00 C ATOM 114 C GLU A 8 -2.887 -0.089 8.072 1.00 0.00 C ATOM 115 O GLU A 8 -1.714 0.001 7.711 1.00 0.00 O ATOM 116 CB GLU A 8 -4.114 1.995 8.707 1.00 0.00 C ATOM 117 CG GLU A 8 -5.077 3.102 8.311 1.00 0.00 C ATOM 118 CD GLU A 8 -5.512 3.947 9.493 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.430 3.518 10.223 1.00 0.00 O ATOM 120 OE2 GLU A 8 -4.934 5.037 9.688 1.00 0.00 O ATOM 0 H GLU A 8 -5.880 0.324 8.062 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.554 1.416 6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.481 1.512 9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.147 2.435 8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.603 3.742 7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.956 2.662 7.840 1.00 0.00 H new ATOM 127 N GLU A 9 -3.328 -1.062 8.861 1.00 0.00 N ATOM 128 CA GLU A 9 -2.439 -2.106 9.361 1.00 0.00 C ATOM 129 C GLU A 9 -1.982 -3.028 8.232 1.00 0.00 C ATOM 130 O GLU A 9 -0.982 -3.734 8.360 1.00 0.00 O ATOM 131 CB GLU A 9 -3.137 -2.918 10.457 1.00 0.00 C ATOM 132 CG GLU A 9 -4.278 -3.785 9.949 1.00 0.00 C ATOM 133 CD GLU A 9 -3.799 -5.107 9.382 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.540 -6.034 10.177 1.00 0.00 O ATOM 135 OE2 GLU A 9 -3.683 -5.215 8.143 1.00 0.00 O ATOM 0 H GLU A 9 -4.296 -1.150 9.169 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.557 -1.624 9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.401 -3.554 10.949 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.522 -2.234 11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.976 -3.975 10.765 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.827 -3.242 9.180 1.00 0.00 H new ATOM 142 N LYS A 10 -2.726 -3.023 7.130 1.00 0.00 N ATOM 143 CA LYS A 10 -2.406 -3.860 5.980 1.00 0.00 C ATOM 144 C LYS A 10 -1.154 -3.361 5.268 1.00 0.00 C ATOM 145 O LYS A 10 -0.199 -4.113 5.072 1.00 0.00 O ATOM 146 CB LYS A 10 -3.588 -3.885 5.008 1.00 0.00 C ATOM 147 CG LYS A 10 -4.115 -5.283 4.725 1.00 0.00 C ATOM 148 CD LYS A 10 -5.060 -5.294 3.533 1.00 0.00 C ATOM 149 CE LYS A 10 -6.508 -5.448 3.969 1.00 0.00 C ATOM 150 NZ LYS A 10 -7.457 -5.150 2.862 1.00 0.00 N ATOM 0 H LYS A 10 -3.558 -2.446 7.010 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.211 -4.871 6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.396 -3.277 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.285 -3.423 4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.279 -5.956 4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.634 -5.662 5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.946 -4.368 2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.792 -6.111 2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.674 -6.465 4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.707 -4.781 4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.433 -5.267 3.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.317 -4.171 2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.285 -5.803 2.072 1.00 0.00 H new ATOM 164 N VAL A 11 -1.169 -2.092 4.878 1.00 0.00 N ATOM 165 CA VAL A 11 -0.038 -1.487 4.182 1.00 0.00 C ATOM 166 C VAL A 11 1.212 -1.477 5.051 1.00 0.00 C ATOM 167 O VAL A 11 2.328 -1.524 4.546 1.00 0.00 O ATOM 168 CB VAL A 11 -0.352 -0.044 3.736 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.763 0.501 2.853 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.691 0.017 3.016 1.00 0.00 C ATOM 0 H VAL A 11 -1.954 -1.460 5.032 1.00 0.00 H new ATOM 0 HA VAL A 11 0.145 -2.100 3.300 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.417 0.582 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.522 1.520 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.701 0.500 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.866 -0.127 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.893 1.043 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.660 -0.625 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.480 -0.324 3.686 1.00 0.00 H new ATOM 180 N LYS A 12 1.011 -1.410 6.359 1.00 0.00 N ATOM 181 CA LYS A 12 2.120 -1.393 7.311 1.00 0.00 C ATOM 182 C LYS A 12 2.978 -2.643 7.159 1.00 0.00 C ATOM 183 O LYS A 12 4.202 -2.586 7.266 1.00 0.00 O ATOM 184 CB LYS A 12 1.592 -1.291 8.743 1.00 0.00 C ATOM 185 CG LYS A 12 2.689 -1.228 9.793 1.00 0.00 C ATOM 186 CD LYS A 12 2.916 -2.583 10.443 1.00 0.00 C ATOM 187 CE LYS A 12 3.258 -2.444 11.917 1.00 0.00 C ATOM 188 NZ LYS A 12 2.635 -3.520 12.737 1.00 0.00 N ATOM 0 H LYS A 12 0.088 -1.366 6.790 1.00 0.00 H new ATOM 0 HA LYS A 12 2.737 -0.520 7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.967 -0.402 8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.953 -2.150 8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.615 -0.884 9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.422 -0.497 10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.021 -3.195 10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.724 -3.104 9.929 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.340 -2.473 12.043 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.921 -1.472 12.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.893 -3.389 13.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.601 -3.477 12.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.976 -4.447 12.410 1.00 0.00 H new ATOM 202 N ALA A 13 2.327 -3.767 6.884 1.00 0.00 N ATOM 203 CA ALA A 13 3.031 -5.028 6.688 1.00 0.00 C ATOM 204 C ALA A 13 3.610 -5.080 5.280 1.00 0.00 C ATOM 205 O ALA A 13 4.579 -5.787 5.008 1.00 0.00 O ATOM 206 CB ALA A 13 2.096 -6.205 6.927 1.00 0.00 C ATOM 0 H ALA A 13 1.313 -3.831 6.792 1.00 0.00 H new ATOM 0 HA ALA A 13 3.847 -5.094 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.639 -7.138 6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.717 -6.167 7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.261 -6.154 6.228 1.00 0.00 H new ATOM 212 N LEU A 14 2.995 -4.305 4.396 1.00 0.00 N ATOM 213 CA LEU A 14 3.410 -4.213 3.007 1.00 0.00 C ATOM 214 C LEU A 14 4.789 -3.561 2.891 1.00 0.00 C ATOM 215 O LEU A 14 5.512 -3.778 1.919 1.00 0.00 O ATOM 216 CB LEU A 14 2.365 -3.400 2.236 1.00 0.00 C ATOM 217 CG LEU A 14 2.286 -3.677 0.736 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.024 -3.061 0.153 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.518 -3.147 0.022 1.00 0.00 C ATOM 0 H LEU A 14 2.191 -3.721 4.626 1.00 0.00 H new ATOM 0 HA LEU A 14 3.484 -5.215 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.386 -3.592 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.576 -2.341 2.381 1.00 0.00 H new ATOM 0 HG LEU A 14 2.248 -4.756 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.980 -3.266 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.150 -3.492 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.036 -1.983 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.438 -3.356 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.593 -2.071 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.408 -3.634 0.422 1.00 0.00 H new ATOM 231 N GLU A 15 5.139 -2.752 3.890 1.00 0.00 N ATOM 232 CA GLU A 15 6.419 -2.053 3.908 1.00 0.00 C ATOM 233 C GLU A 15 7.553 -2.976 4.350 1.00 0.00 C ATOM 234 O GLU A 15 8.570 -3.091 3.666 1.00 0.00 O ATOM 235 CB GLU A 15 6.331 -0.838 4.840 1.00 0.00 C ATOM 236 CG GLU A 15 7.664 -0.152 5.092 1.00 0.00 C ATOM 237 CD GLU A 15 7.537 1.052 6.005 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.846 2.018 5.620 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.128 1.027 7.105 1.00 0.00 O ATOM 0 H GLU A 15 4.549 -2.565 4.701 1.00 0.00 H new ATOM 0 HA GLU A 15 6.640 -1.719 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.637 -0.114 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.912 -1.155 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.358 -0.867 5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.092 0.162 4.140 1.00 0.00 H new ATOM 246 N GLU A 16 7.375 -3.628 5.496 1.00 0.00 N ATOM 247 CA GLU A 16 8.391 -4.534 6.028 1.00 0.00 C ATOM 248 C GLU A 16 8.904 -5.487 4.951 1.00 0.00 C ATOM 249 O GLU A 16 10.058 -5.914 4.984 1.00 0.00 O ATOM 250 CB GLU A 16 7.827 -5.334 7.204 1.00 0.00 C ATOM 251 CG GLU A 16 6.563 -6.106 6.865 1.00 0.00 C ATOM 252 CD GLU A 16 6.299 -7.247 7.829 1.00 0.00 C ATOM 253 OE1 GLU A 16 6.387 -7.021 9.053 1.00 0.00 O ATOM 254 OE2 GLU A 16 6.005 -8.366 7.358 1.00 0.00 O ATOM 0 H GLU A 16 6.538 -3.547 6.074 1.00 0.00 H new ATOM 0 HA GLU A 16 9.228 -3.928 6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.586 -6.033 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.616 -4.653 8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.712 -5.424 6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.644 -6.502 5.853 1.00 0.00 H new ATOM 261 N LYS A 17 8.040 -5.814 3.996 1.00 0.00 N ATOM 262 CA LYS A 17 8.407 -6.714 2.909 1.00 0.00 C ATOM 263 C LYS A 17 9.280 -6.001 1.879 1.00 0.00 C ATOM 264 O LYS A 17 10.201 -6.592 1.316 1.00 0.00 O ATOM 265 CB LYS A 17 7.151 -7.267 2.232 1.00 0.00 C ATOM 266 CG LYS A 17 7.383 -8.574 1.494 1.00 0.00 C ATOM 267 CD LYS A 17 6.434 -8.726 0.316 1.00 0.00 C ATOM 268 CE LYS A 17 6.717 -9.996 -0.469 1.00 0.00 C ATOM 269 NZ LYS A 17 8.172 -10.170 -0.737 1.00 0.00 N ATOM 0 H LYS A 17 7.081 -5.469 3.953 1.00 0.00 H new ATOM 0 HA LYS A 17 8.979 -7.539 3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.378 -7.417 2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.771 -6.525 1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.413 -8.615 1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.248 -9.410 2.181 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.405 -8.742 0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.528 -7.862 -0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.345 -10.857 0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.175 -9.967 -1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.307 -10.914 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.569 -9.276 -1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.657 -10.442 0.142 1.00 0.00 H new ATOM 283 N VAL A 18 8.981 -4.728 1.638 1.00 0.00 N ATOM 284 CA VAL A 18 9.734 -3.935 0.674 1.00 0.00 C ATOM 285 C VAL A 18 11.061 -3.467 1.257 1.00 0.00 C ATOM 286 O VAL A 18 12.121 -3.690 0.671 1.00 0.00 O ATOM 287 CB VAL A 18 8.938 -2.703 0.221 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.661 -1.979 -0.905 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.532 -3.099 -0.206 1.00 0.00 C ATOM 0 H VAL A 18 8.222 -4.224 2.097 1.00 0.00 H new ATOM 0 HA VAL A 18 9.921 -4.582 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 18 8.857 -2.019 1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.080 -1.109 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.643 -1.656 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.780 -2.653 -1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.985 -2.211 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.589 -3.806 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.014 -3.564 0.633 1.00 0.00 H new ATOM 299 N LYS A 19 10.996 -2.806 2.409 1.00 0.00 N ATOM 300 CA LYS A 19 12.193 -2.294 3.068 1.00 0.00 C ATOM 301 C LYS A 19 13.263 -3.375 3.200 1.00 0.00 C ATOM 302 O LYS A 19 14.458 -3.081 3.200 1.00 0.00 O ATOM 303 CB LYS A 19 11.840 -1.740 4.449 1.00 0.00 C ATOM 304 CG LYS A 19 10.971 -0.495 4.397 1.00 0.00 C ATOM 305 CD LYS A 19 11.198 0.394 5.610 1.00 0.00 C ATOM 306 CE LYS A 19 12.123 1.558 5.286 1.00 0.00 C ATOM 307 NZ LYS A 19 11.428 2.869 5.400 1.00 0.00 N ATOM 0 H LYS A 19 10.126 -2.612 2.906 1.00 0.00 H new ATOM 0 HA LYS A 19 12.596 -1.492 2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.323 -2.511 5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.760 -1.509 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.190 0.065 3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.921 -0.784 4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.241 0.777 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.626 -0.197 6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.978 1.541 5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.513 1.441 4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.073 3.630 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.588 2.871 4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.137 3.023 6.387 1.00 0.00 H new ATOM 321 N ALA A 20 12.826 -4.626 3.311 1.00 0.00 N ATOM 322 CA ALA A 20 13.748 -5.748 3.441 1.00 0.00 C ATOM 323 C ALA A 20 14.127 -6.320 2.077 1.00 0.00 C ATOM 324 O ALA A 20 15.065 -7.110 1.964 1.00 0.00 O ATOM 325 CB ALA A 20 13.137 -6.831 4.317 1.00 0.00 C ATOM 0 H ALA A 20 11.840 -4.887 3.313 1.00 0.00 H new ATOM 0 HA ALA A 20 14.659 -5.380 3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.835 -7.663 4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.929 -6.424 5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.209 -7.183 3.867 1.00 0.00 H new ATOM 331 N LEU A 21 13.393 -5.919 1.043 1.00 0.00 N ATOM 332 CA LEU A 21 13.649 -6.391 -0.310 1.00 0.00 C ATOM 333 C LEU A 21 15.024 -5.940 -0.794 1.00 0.00 C ATOM 334 O LEU A 21 15.884 -6.763 -1.106 1.00 0.00 O ATOM 335 CB LEU A 21 12.564 -5.872 -1.254 1.00 0.00 C ATOM 336 CG LEU A 21 12.044 -6.891 -2.268 1.00 0.00 C ATOM 337 CD1 LEU A 21 10.849 -6.330 -3.023 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.148 -7.292 -3.235 1.00 0.00 C ATOM 0 H LEU A 21 12.614 -5.266 1.119 1.00 0.00 H new ATOM 0 HA LEU A 21 13.631 -7.481 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.724 -5.516 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.957 -5.012 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 21 11.721 -7.781 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.492 -7.069 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.052 -6.094 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.145 -5.424 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.760 -8.018 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.502 -6.410 -3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.975 -7.736 -2.680 1.00 0.00 H new ATOM 350 N GLY A 22 15.223 -4.627 -0.854 1.00 0.00 N ATOM 351 CA GLY A 22 16.494 -4.088 -1.301 1.00 0.00 C ATOM 352 C GLY A 22 16.327 -2.928 -2.263 1.00 0.00 C ATOM 353 O GLY A 22 16.166 -1.783 -1.841 1.00 0.00 O ATOM 0 H GLY A 22 14.526 -3.927 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.070 -3.758 -0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.070 -4.877 -1.785 1.00 0.00 H new ATOM 357 N GLY A 23 16.367 -3.225 -3.557 1.00 0.00 N ATOM 358 CA GLY A 23 16.219 -2.188 -4.560 1.00 0.00 C ATOM 359 C GLY A 23 16.432 -2.708 -5.969 1.00 0.00 C ATOM 360 O GLY A 23 16.759 -3.878 -6.161 1.00 0.00 O ATOM 0 H GLY A 23 16.499 -4.165 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.223 -1.753 -4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 23 16.932 -1.389 -4.359 1.00 0.00 H new ATOM 364 N GLY A 24 16.244 -1.837 -6.955 1.00 0.00 N ATOM 365 CA GLY A 24 16.423 -2.234 -8.339 1.00 0.00 C ATOM 366 C GLY A 24 15.567 -1.421 -9.291 1.00 0.00 C ATOM 367 O GLY A 24 15.765 -0.216 -9.439 1.00 0.00 O ATOM 0 H GLY A 24 15.971 -0.864 -6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.472 -2.122 -8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.176 -3.290 -8.446 1.00 0.00 H new ATOM 371 N GLY A 25 14.611 -2.083 -9.936 1.00 0.00 N ATOM 372 CA GLY A 25 13.735 -1.400 -10.870 1.00 0.00 C ATOM 373 C GLY A 25 12.291 -1.392 -10.411 1.00 0.00 C ATOM 374 O GLY A 25 11.770 -0.357 -9.994 1.00 0.00 O ATOM 0 H GLY A 25 14.428 -3.081 -9.828 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.077 -0.373 -11.000 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.800 -1.884 -11.845 1.00 0.00 H new ATOM 378 N ARG A 26 11.642 -2.550 -10.485 1.00 0.00 N ATOM 379 CA ARG A 26 10.247 -2.674 -10.074 1.00 0.00 C ATOM 380 C ARG A 26 10.059 -2.228 -8.627 1.00 0.00 C ATOM 381 O ARG A 26 8.981 -1.782 -8.239 1.00 0.00 O ATOM 382 CB ARG A 26 9.763 -4.119 -10.247 1.00 0.00 C ATOM 383 CG ARG A 26 10.283 -5.078 -9.186 1.00 0.00 C ATOM 384 CD ARG A 26 11.787 -5.262 -9.295 1.00 0.00 C ATOM 385 NE ARG A 26 12.240 -6.495 -8.654 1.00 0.00 N ATOM 386 CZ ARG A 26 12.249 -7.684 -9.251 1.00 0.00 C ATOM 387 NH1 ARG A 26 11.817 -7.813 -10.501 1.00 0.00 N ATOM 388 NH2 ARG A 26 12.688 -8.750 -8.597 1.00 0.00 N ATOM 0 H ARG A 26 12.059 -3.416 -10.826 1.00 0.00 H new ATOM 0 HA ARG A 26 9.651 -2.022 -10.713 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.673 -4.131 -10.230 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.070 -4.479 -11.229 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.032 -4.698 -8.196 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.788 -6.043 -9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.075 -5.274 -10.346 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.290 -4.410 -8.837 1.00 0.00 H new ATOM 0 HE ARG A 26 12.569 -6.441 -7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.476 -6.997 -11.009 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.827 -8.728 -10.952 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.019 -8.659 -7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.695 -9.662 -9.054 1.00 0.00 H new ATOM 402 N ILE A 27 11.115 -2.359 -7.830 1.00 0.00 N ATOM 403 CA ILE A 27 11.066 -1.977 -6.425 1.00 0.00 C ATOM 404 C ILE A 27 10.937 -0.466 -6.262 1.00 0.00 C ATOM 405 O ILE A 27 10.371 0.014 -5.280 1.00 0.00 O ATOM 406 CB ILE A 27 12.318 -2.463 -5.666 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.503 -3.969 -5.856 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.211 -2.122 -4.187 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.905 -4.449 -5.550 1.00 0.00 C ATOM 0 H ILE A 27 12.016 -2.728 -8.135 1.00 0.00 H new ATOM 0 HA ILE A 27 10.184 -2.457 -6.001 1.00 0.00 H new ATOM 0 HB ILE A 27 13.190 -1.952 -6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.798 -4.497 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.254 -4.231 -6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.103 -2.472 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.122 -1.042 -4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.331 -2.607 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.963 -5.526 -5.706 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.613 -3.948 -6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.150 -4.219 -4.513 1.00 0.00 H new ATOM 421 N GLU A 28 11.476 0.280 -7.221 1.00 0.00 N ATOM 422 CA GLU A 28 11.430 1.739 -7.174 1.00 0.00 C ATOM 423 C GLU A 28 9.996 2.262 -7.251 1.00 0.00 C ATOM 424 O GLU A 28 9.554 3.003 -6.377 1.00 0.00 O ATOM 425 CB GLU A 28 12.259 2.330 -8.316 1.00 0.00 C ATOM 426 CG GLU A 28 13.742 2.432 -8.000 1.00 0.00 C ATOM 427 CD GLU A 28 14.464 3.412 -8.905 1.00 0.00 C ATOM 428 OE1 GLU A 28 13.790 4.274 -9.505 1.00 0.00 O ATOM 429 OE2 GLU A 28 15.705 3.317 -9.012 1.00 0.00 O ATOM 0 H GLU A 28 11.950 -0.101 -8.040 1.00 0.00 H new ATOM 0 HA GLU A 28 11.851 2.051 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.127 1.715 -9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.878 3.323 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.868 2.740 -6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.199 1.447 -8.098 1.00 0.00 H new ATOM 436 N GLU A 29 9.277 1.877 -8.302 1.00 0.00 N ATOM 437 CA GLU A 29 7.896 2.320 -8.489 1.00 0.00 C ATOM 438 C GLU A 29 7.024 1.928 -7.299 1.00 0.00 C ATOM 439 O GLU A 29 6.117 2.664 -6.911 1.00 0.00 O ATOM 440 CB GLU A 29 7.317 1.722 -9.775 1.00 0.00 C ATOM 441 CG GLU A 29 5.839 2.026 -9.985 1.00 0.00 C ATOM 442 CD GLU A 29 5.577 2.797 -11.265 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.991 2.316 -12.342 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.959 3.879 -11.191 1.00 0.00 O ATOM 0 H GLU A 29 9.626 1.261 -9.036 1.00 0.00 H new ATOM 0 HA GLU A 29 7.902 3.407 -8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.881 2.102 -10.627 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.457 0.641 -9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.279 1.091 -10.008 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.466 2.600 -9.137 1.00 0.00 H new ATOM 451 N LEU A 30 7.301 0.762 -6.732 1.00 0.00 N ATOM 452 CA LEU A 30 6.541 0.261 -5.595 1.00 0.00 C ATOM 453 C LEU A 30 6.830 1.061 -4.326 1.00 0.00 C ATOM 454 O LEU A 30 6.041 1.045 -3.383 1.00 0.00 O ATOM 455 CB LEU A 30 6.854 -1.218 -5.362 1.00 0.00 C ATOM 456 CG LEU A 30 6.514 -2.138 -6.534 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.107 -3.522 -6.317 1.00 0.00 C ATOM 458 CD2 LEU A 30 5.008 -2.224 -6.724 1.00 0.00 C ATOM 0 H LEU A 30 8.050 0.143 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 30 5.483 0.376 -5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.915 -1.319 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.307 -1.556 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 30 6.951 -1.717 -7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.854 -4.163 -7.162 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.191 -3.444 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.701 -3.952 -5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.784 -2.883 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.549 -2.620 -5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.610 -1.230 -6.927 1.00 0.00 H new ATOM 470 N LYS A 31 7.969 1.742 -4.299 1.00 0.00 N ATOM 471 CA LYS A 31 8.364 2.529 -3.135 1.00 0.00 C ATOM 472 C LYS A 31 7.573 3.832 -3.035 1.00 0.00 C ATOM 473 O LYS A 31 6.901 4.081 -2.038 1.00 0.00 O ATOM 474 CB LYS A 31 9.861 2.838 -3.196 1.00 0.00 C ATOM 475 CG LYS A 31 10.411 3.435 -1.911 1.00 0.00 C ATOM 476 CD LYS A 31 11.548 2.595 -1.349 1.00 0.00 C ATOM 477 CE LYS A 31 12.191 3.261 -0.142 1.00 0.00 C ATOM 478 NZ LYS A 31 13.578 3.717 -0.433 1.00 0.00 N ATOM 0 H LYS A 31 8.637 1.766 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 31 8.145 1.936 -2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.404 1.920 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.048 3.530 -4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.765 4.448 -2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.613 3.510 -1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.170 1.613 -1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.300 2.436 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.586 4.113 0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.207 2.561 0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.981 4.165 0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.162 2.900 -0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.561 4.404 -1.213 1.00 0.00 H new ATOM 492 N LYS A 32 7.671 4.665 -4.065 1.00 0.00 N ATOM 493 CA LYS A 32 6.978 5.953 -4.087 1.00 0.00 C ATOM 494 C LYS A 32 5.495 5.809 -3.744 1.00 0.00 C ATOM 495 O LYS A 32 4.980 6.512 -2.876 1.00 0.00 O ATOM 496 CB LYS A 32 7.132 6.604 -5.464 1.00 0.00 C ATOM 497 CG LYS A 32 7.583 8.055 -5.402 1.00 0.00 C ATOM 498 CD LYS A 32 6.515 8.997 -5.937 1.00 0.00 C ATOM 499 CE LYS A 32 6.614 9.153 -7.446 1.00 0.00 C ATOM 500 NZ LYS A 32 5.278 9.349 -8.073 1.00 0.00 N ATOM 0 H LYS A 32 8.225 4.473 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 32 7.434 6.586 -3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.853 6.032 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.179 6.550 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.819 8.319 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.499 8.177 -5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.528 8.617 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.618 9.973 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.254 10.003 -7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.089 8.269 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.389 9.451 -9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.675 8.526 -7.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.835 10.207 -7.686 1.00 0.00 H new ATOM 514 N LYS A 33 4.815 4.908 -4.442 1.00 0.00 N ATOM 515 CA LYS A 33 3.388 4.683 -4.226 1.00 0.00 C ATOM 516 C LYS A 33 3.104 4.066 -2.855 1.00 0.00 C ATOM 517 O LYS A 33 2.004 4.200 -2.327 1.00 0.00 O ATOM 518 CB LYS A 33 2.823 3.784 -5.327 1.00 0.00 C ATOM 519 CG LYS A 33 1.428 4.181 -5.780 1.00 0.00 C ATOM 520 CD LYS A 33 0.662 2.990 -6.331 1.00 0.00 C ATOM 521 CE LYS A 33 0.224 2.046 -5.222 1.00 0.00 C ATOM 522 NZ LYS A 33 -0.216 0.729 -5.756 1.00 0.00 N ATOM 0 H LYS A 33 5.228 4.319 -5.165 1.00 0.00 H new ATOM 0 HA LYS A 33 2.898 5.656 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.495 3.808 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.800 2.755 -4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.880 4.611 -4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.499 4.955 -6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.213 3.341 -6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.288 2.451 -7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.049 1.898 -4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.592 2.500 -4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.738 0.212 -5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.835 0.877 -6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.616 0.175 -6.044 1.00 0.00 H new ATOM 536 N CYS A 34 4.090 3.370 -2.298 1.00 0.00 N ATOM 537 CA CYS A 34 3.931 2.714 -1.000 1.00 0.00 C ATOM 538 C CYS A 34 3.624 3.710 0.119 1.00 0.00 C ATOM 539 O CYS A 34 2.615 3.586 0.813 1.00 0.00 O ATOM 540 CB CYS A 34 5.210 1.951 -0.649 1.00 0.00 C ATOM 541 SG CYS A 34 4.943 0.202 -0.219 1.00 0.00 S ATOM 0 H CYS A 34 5.009 3.244 -2.723 1.00 0.00 H new ATOM 0 HA CYS A 34 3.086 2.031 -1.084 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.895 2.005 -1.495 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.698 2.449 0.189 1.00 0.00 H new ATOM 546 N GLU A 35 4.515 4.678 0.305 1.00 0.00 N ATOM 547 CA GLU A 35 4.352 5.675 1.359 1.00 0.00 C ATOM 548 C GLU A 35 3.168 6.599 1.095 1.00 0.00 C ATOM 549 O GLU A 35 2.292 6.746 1.942 1.00 0.00 O ATOM 550 CB GLU A 35 5.633 6.496 1.523 1.00 0.00 C ATOM 551 CG GLU A 35 6.195 7.006 0.211 1.00 0.00 C ATOM 552 CD GLU A 35 6.495 8.491 0.238 1.00 0.00 C ATOM 553 OE1 GLU A 35 7.357 8.908 1.040 1.00 0.00 O ATOM 554 OE2 GLU A 35 5.867 9.238 -0.541 1.00 0.00 O ATOM 0 H GLU A 35 5.357 4.794 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 35 4.150 5.135 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.430 7.344 2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.387 5.884 2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.108 6.460 -0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.484 6.798 -0.589 1.00 0.00 H new ATOM 561 N GLU A 36 3.145 7.221 -0.080 1.00 0.00 N ATOM 562 CA GLU A 36 2.064 8.132 -0.442 1.00 0.00 C ATOM 563 C GLU A 36 0.700 7.507 -0.158 1.00 0.00 C ATOM 564 O GLU A 36 -0.278 8.208 0.107 1.00 0.00 O ATOM 565 CB GLU A 36 2.164 8.515 -1.919 1.00 0.00 C ATOM 566 CG GLU A 36 1.270 9.681 -2.307 1.00 0.00 C ATOM 567 CD GLU A 36 1.885 10.556 -3.382 1.00 0.00 C ATOM 568 OE1 GLU A 36 3.043 10.991 -3.204 1.00 0.00 O ATOM 569 OE2 GLU A 36 1.210 10.807 -4.403 1.00 0.00 O ATOM 0 H GLU A 36 3.862 7.111 -0.797 1.00 0.00 H new ATOM 0 HA GLU A 36 2.164 9.030 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.198 8.768 -2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.903 7.650 -2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.312 9.298 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.065 10.287 -1.424 1.00 0.00 H new ATOM 576 N LEU A 37 0.649 6.184 -0.224 1.00 0.00 N ATOM 577 CA LEU A 37 -0.581 5.439 0.015 1.00 0.00 C ATOM 578 C LEU A 37 -0.992 5.509 1.484 1.00 0.00 C ATOM 579 O LEU A 37 -2.173 5.641 1.803 1.00 0.00 O ATOM 580 CB LEU A 37 -0.385 3.981 -0.419 1.00 0.00 C ATOM 581 CG LEU A 37 -1.445 2.988 0.069 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.848 3.518 -0.188 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.254 1.638 -0.609 1.00 0.00 C ATOM 0 H LEU A 37 1.455 5.598 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.382 5.888 -0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.358 3.947 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.590 3.645 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.324 2.861 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.581 2.794 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.983 4.461 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.986 3.679 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.013 0.942 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.347 1.757 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.264 1.248 -0.371 1.00 0.00 H new ATOM 595 N LYS A 38 -0.010 5.416 2.374 1.00 0.00 N ATOM 596 CA LYS A 38 -0.272 5.464 3.810 1.00 0.00 C ATOM 597 C LYS A 38 -0.893 6.799 4.218 1.00 0.00 C ATOM 598 O LYS A 38 -1.986 6.837 4.784 1.00 0.00 O ATOM 599 CB LYS A 38 1.024 5.229 4.591 1.00 0.00 C ATOM 600 CG LYS A 38 1.071 3.885 5.299 1.00 0.00 C ATOM 601 CD LYS A 38 2.424 3.211 5.135 1.00 0.00 C ATOM 602 CE LYS A 38 2.651 2.146 6.196 1.00 0.00 C ATOM 603 NZ LYS A 38 3.632 2.588 7.225 1.00 0.00 N ATOM 0 H LYS A 38 0.974 5.307 2.128 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.984 4.674 4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.869 5.300 3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.144 6.023 5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.860 4.024 6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.291 3.236 4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.488 2.759 4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.214 3.960 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.703 1.905 6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.009 1.232 5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.759 1.834 7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.544 2.793 6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.279 3.446 7.695 1.00 0.00 H new ATOM 617 N LYS A 39 -0.188 7.890 3.933 1.00 0.00 N ATOM 618 CA LYS A 39 -0.666 9.226 4.276 1.00 0.00 C ATOM 619 C LYS A 39 -2.058 9.480 3.705 1.00 0.00 C ATOM 620 O LYS A 39 -2.840 10.243 4.272 1.00 0.00 O ATOM 621 CB LYS A 39 0.312 10.286 3.760 1.00 0.00 C ATOM 622 CG LYS A 39 0.386 10.361 2.243 1.00 0.00 C ATOM 623 CD LYS A 39 1.500 11.292 1.784 1.00 0.00 C ATOM 624 CE LYS A 39 0.954 12.465 0.984 1.00 0.00 C ATOM 625 NZ LYS A 39 1.971 13.020 0.049 1.00 0.00 N ATOM 0 H LYS A 39 0.718 7.875 3.465 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.728 9.291 5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.017 11.260 4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.306 10.073 4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.553 9.364 1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.568 10.711 1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.045 11.664 2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.213 10.736 1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.079 12.143 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.623 13.248 1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.560 13.817 -0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.796 13.350 0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.268 12.281 -0.619 1.00 0.00 H new ATOM 639 N LYS A 40 -2.362 8.839 2.581 1.00 0.00 N ATOM 640 CA LYS A 40 -3.662 9.001 1.940 1.00 0.00 C ATOM 641 C LYS A 40 -4.780 8.467 2.829 1.00 0.00 C ATOM 642 O LYS A 40 -5.921 8.919 2.743 1.00 0.00 O ATOM 643 CB LYS A 40 -3.681 8.285 0.588 1.00 0.00 C ATOM 644 CG LYS A 40 -4.600 8.936 -0.433 1.00 0.00 C ATOM 645 CD LYS A 40 -4.014 8.869 -1.834 1.00 0.00 C ATOM 646 CE LYS A 40 -4.629 7.736 -2.640 1.00 0.00 C ATOM 647 NZ LYS A 40 -6.016 8.055 -3.077 1.00 0.00 N ATOM 0 H LYS A 40 -1.728 8.204 2.096 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.829 10.066 1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.668 8.257 0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.993 7.251 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.570 8.439 -0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.771 9.977 -0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.184 9.816 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.935 8.729 -1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.010 7.535 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.638 6.826 -2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.558 7.174 -3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.474 8.659 -2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.986 8.556 -3.988 1.00 0.00 H new ATOM 661 N ILE A 41 -4.448 7.506 3.686 1.00 0.00 N ATOM 662 CA ILE A 41 -5.430 6.921 4.590 1.00 0.00 C ATOM 663 C ILE A 41 -5.742 7.872 5.740 1.00 0.00 C ATOM 664 O ILE A 41 -6.853 7.878 6.269 1.00 0.00 O ATOM 665 CB ILE A 41 -4.941 5.577 5.168 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.292 4.728 4.069 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.100 4.830 5.815 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.856 3.356 4.536 1.00 0.00 C ATOM 0 H ILE A 41 -3.509 7.117 3.773 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.333 6.744 4.006 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.190 5.775 5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.998 4.614 3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.426 5.260 3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.742 3.883 6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.518 5.434 6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.871 4.638 5.069 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.406 2.814 3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.126 3.460 5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.722 2.804 4.902 1.00 0.00 H new ATOM 680 N GLU A 42 -4.756 8.681 6.117 1.00 0.00 N ATOM 681 CA GLU A 42 -4.927 9.641 7.199 1.00 0.00 C ATOM 682 C GLU A 42 -5.960 10.698 6.821 1.00 0.00 C ATOM 683 O GLU A 42 -6.844 11.028 7.611 1.00 0.00 O ATOM 684 CB GLU A 42 -3.592 10.311 7.532 1.00 0.00 C ATOM 685 CG GLU A 42 -2.539 9.343 8.048 1.00 0.00 C ATOM 686 CD GLU A 42 -2.303 9.477 9.539 1.00 0.00 C ATOM 687 OE1 GLU A 42 -3.297 9.531 10.295 1.00 0.00 O ATOM 688 OE2 GLU A 42 -1.125 9.528 9.953 1.00 0.00 O ATOM 0 H GLU A 42 -3.831 8.690 5.688 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.283 9.104 8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.211 10.808 6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.760 11.085 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.848 8.322 7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.602 9.516 7.519 1.00 0.00 H new ATOM 695 N GLU A 43 -5.844 11.221 5.604 1.00 0.00 N ATOM 696 CA GLU A 43 -6.769 12.235 5.117 1.00 0.00 C ATOM 697 C GLU A 43 -8.188 11.676 5.059 1.00 0.00 C ATOM 698 O GLU A 43 -9.157 12.366 5.375 1.00 0.00 O ATOM 699 CB GLU A 43 -6.329 12.735 3.734 1.00 0.00 C ATOM 700 CG GLU A 43 -6.933 11.967 2.567 1.00 0.00 C ATOM 701 CD GLU A 43 -6.243 12.268 1.251 1.00 0.00 C ATOM 702 OE1 GLU A 43 -5.009 12.094 1.175 1.00 0.00 O ATOM 703 OE2 GLU A 43 -6.936 12.678 0.297 1.00 0.00 O ATOM 0 H GLU A 43 -5.118 10.958 4.938 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.760 13.078 5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.598 13.787 3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.243 12.676 3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.871 10.898 2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.991 12.214 2.483 1.00 0.00 H new ATOM 710 N LEU A 44 -8.292 10.416 4.651 1.00 0.00 N ATOM 711 CA LEU A 44 -9.581 9.740 4.544 1.00 0.00 C ATOM 712 C LEU A 44 -10.382 9.878 5.836 1.00 0.00 C ATOM 713 O LEU A 44 -9.883 10.392 6.836 1.00 0.00 O ATOM 714 CB LEU A 44 -9.370 8.260 4.216 1.00 0.00 C ATOM 715 CG LEU A 44 -9.299 7.931 2.724 1.00 0.00 C ATOM 716 CD1 LEU A 44 -8.698 6.550 2.510 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.681 8.018 2.094 1.00 0.00 C ATOM 0 H LEU A 44 -7.494 9.838 4.387 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.147 10.211 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.447 7.927 4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.183 7.686 4.661 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.654 8.664 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.655 6.333 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.691 6.523 2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.316 5.803 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.612 7.781 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.349 7.308 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.073 9.028 2.216 1.00 0.00 H new ATOM 729 N GLY A 45 -11.628 9.417 5.805 1.00 0.00 N ATOM 730 CA GLY A 45 -12.478 9.500 6.978 1.00 0.00 C ATOM 731 C GLY A 45 -13.286 8.237 7.201 1.00 0.00 C ATOM 732 O GLY A 45 -12.959 7.427 8.068 1.00 0.00 O ATOM 0 H GLY A 45 -12.064 8.988 4.989 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.862 9.693 7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.156 10.347 6.872 1.00 0.00 H new ATOM 736 N GLY A 46 -14.345 8.068 6.415 1.00 0.00 N ATOM 737 CA GLY A 46 -15.185 6.893 6.546 1.00 0.00 C ATOM 738 C GLY A 46 -16.419 6.961 5.668 1.00 0.00 C ATOM 739 O GLY A 46 -17.542 6.818 6.151 1.00 0.00 O ATOM 0 H GLY A 46 -14.636 8.724 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.607 6.006 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.489 6.782 7.587 1.00 0.00 H new ATOM 743 N GLY A 47 -16.210 7.180 4.373 1.00 0.00 N ATOM 744 CA GLY A 47 -17.323 7.262 3.445 1.00 0.00 C ATOM 745 C GLY A 47 -17.177 6.305 2.279 1.00 0.00 C ATOM 746 O GLY A 47 -17.152 5.088 2.465 1.00 0.00 O ATOM 0 H GLY A 47 -15.290 7.302 3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.251 7.045 3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.402 8.281 3.067 1.00 0.00 H new ATOM 750 N GLY A 48 -17.081 6.856 1.073 1.00 0.00 N ATOM 751 CA GLY A 48 -16.937 6.030 -0.111 1.00 0.00 C ATOM 752 C GLY A 48 -15.536 6.076 -0.687 1.00 0.00 C ATOM 753 O GLY A 48 -15.104 5.142 -1.362 1.00 0.00 O ATOM 0 H GLY A 48 -17.100 7.860 0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.190 4.999 0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -17.648 6.360 -0.868 1.00 0.00 H new ATOM 757 N GLU A 49 -14.822 7.167 -0.421 1.00 0.00 N ATOM 758 CA GLU A 49 -13.461 7.333 -0.918 1.00 0.00 C ATOM 759 C GLU A 49 -12.568 6.181 -0.465 1.00 0.00 C ATOM 760 O GLU A 49 -11.591 5.843 -1.133 1.00 0.00 O ATOM 761 CB GLU A 49 -12.879 8.663 -0.439 1.00 0.00 C ATOM 762 CG GLU A 49 -11.627 9.085 -1.189 1.00 0.00 C ATOM 763 CD GLU A 49 -11.326 10.563 -1.038 1.00 0.00 C ATOM 764 OE1 GLU A 49 -12.184 11.385 -1.422 1.00 0.00 O ATOM 765 OE2 GLU A 49 -10.232 10.898 -0.536 1.00 0.00 O ATOM 0 H GLU A 49 -15.165 7.949 0.137 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.498 7.331 -2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.636 9.440 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.648 8.587 0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.778 8.506 -0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.745 8.848 -2.246 1.00 0.00 H new ATOM 772 N VAL A 50 -12.908 5.583 0.673 1.00 0.00 N ATOM 773 CA VAL A 50 -12.136 4.470 1.214 1.00 0.00 C ATOM 774 C VAL A 50 -11.994 3.343 0.192 1.00 0.00 C ATOM 775 O VAL A 50 -11.062 2.544 0.263 1.00 0.00 O ATOM 776 CB VAL A 50 -12.784 3.904 2.493 1.00 0.00 C ATOM 777 CG1 VAL A 50 -11.848 2.920 3.179 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.171 5.031 3.440 1.00 0.00 C ATOM 0 H VAL A 50 -13.714 5.851 1.238 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.149 4.864 1.456 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.691 3.369 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.324 2.532 4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.627 2.095 2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.921 3.427 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.627 4.612 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.281 5.597 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -13.883 5.693 2.946 1.00 0.00 H new ATOM 788 N LYS A 51 -12.926 3.286 -0.756 1.00 0.00 N ATOM 789 CA LYS A 51 -12.902 2.256 -1.789 1.00 0.00 C ATOM 790 C LYS A 51 -11.781 2.513 -2.792 1.00 0.00 C ATOM 791 O LYS A 51 -11.170 1.576 -3.307 1.00 0.00 O ATOM 792 CB LYS A 51 -14.247 2.202 -2.514 1.00 0.00 C ATOM 793 CG LYS A 51 -14.671 0.796 -2.906 1.00 0.00 C ATOM 794 CD LYS A 51 -16.172 0.707 -3.123 1.00 0.00 C ATOM 795 CE LYS A 51 -16.554 -0.570 -3.855 1.00 0.00 C ATOM 796 NZ LYS A 51 -18.013 -0.628 -4.147 1.00 0.00 N ATOM 0 H LYS A 51 -13.705 3.940 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.717 1.297 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.013 2.638 -1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.192 2.819 -3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.152 0.499 -3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.373 0.094 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.683 0.743 -2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.510 1.571 -3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.994 -0.635 -4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.270 -1.433 -3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.232 -1.514 -4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -18.547 -0.592 -3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.280 0.181 -4.743 1.00 0.00 H new ATOM 810 N LYS A 52 -11.516 3.787 -3.067 1.00 0.00 N ATOM 811 CA LYS A 52 -10.469 4.163 -4.010 1.00 0.00 C ATOM 812 C LYS A 52 -9.091 3.787 -3.473 1.00 0.00 C ATOM 813 O LYS A 52 -8.346 3.047 -4.115 1.00 0.00 O ATOM 814 CB LYS A 52 -10.532 5.666 -4.295 1.00 0.00 C ATOM 815 CG LYS A 52 -9.333 6.197 -5.067 1.00 0.00 C ATOM 816 CD LYS A 52 -9.727 7.328 -6.003 1.00 0.00 C ATOM 817 CE LYS A 52 -8.685 7.542 -7.089 1.00 0.00 C ATOM 818 NZ LYS A 52 -9.311 7.818 -8.413 1.00 0.00 N ATOM 0 H LYS A 52 -12.012 4.575 -2.650 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.634 3.617 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.439 5.881 -4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.610 6.202 -3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.576 6.550 -4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.882 5.388 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.690 7.104 -6.461 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.852 8.248 -5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.038 8.375 -6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.052 6.658 -7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.567 7.958 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.908 7.013 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.895 8.676 -8.349 1.00 0.00 H new ATOM 832 N VAL A 53 -8.758 4.302 -2.294 1.00 0.00 N ATOM 833 CA VAL A 53 -7.471 4.019 -1.671 1.00 0.00 C ATOM 834 C VAL A 53 -7.266 2.521 -1.477 1.00 0.00 C ATOM 835 O VAL A 53 -6.134 2.043 -1.427 1.00 0.00 O ATOM 836 CB VAL A 53 -7.338 4.725 -0.308 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.923 4.587 0.231 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.733 6.190 -0.424 1.00 0.00 C ATOM 0 H VAL A 53 -9.363 4.918 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.706 4.401 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.017 4.244 0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.850 5.092 1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.683 3.531 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.221 5.039 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.633 6.672 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.082 6.686 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.767 6.262 -0.760 1.00 0.00 H new ATOM 848 N GLU A 54 -8.367 1.783 -1.369 1.00 0.00 N ATOM 849 CA GLU A 54 -8.303 0.338 -1.184 1.00 0.00 C ATOM 850 C GLU A 54 -7.715 -0.336 -2.419 1.00 0.00 C ATOM 851 O GLU A 54 -6.958 -1.301 -2.313 1.00 0.00 O ATOM 852 CB GLU A 54 -9.697 -0.224 -0.893 1.00 0.00 C ATOM 853 CG GLU A 54 -9.990 -0.385 0.589 1.00 0.00 C ATOM 854 CD GLU A 54 -10.694 -1.691 0.905 1.00 0.00 C ATOM 855 OE1 GLU A 54 -11.450 -2.182 0.042 1.00 0.00 O ATOM 856 OE2 GLU A 54 -10.488 -2.221 2.018 1.00 0.00 O ATOM 0 H GLU A 54 -9.313 2.162 -1.406 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.655 0.131 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.445 0.436 -1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.799 -1.193 -1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.056 -0.336 1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.608 0.447 0.926 1.00 0.00 H new ATOM 863 N GLU A 55 -8.068 0.183 -3.591 1.00 0.00 N ATOM 864 CA GLU A 55 -7.575 -0.360 -4.851 1.00 0.00 C ATOM 865 C GLU A 55 -6.102 -0.017 -5.051 1.00 0.00 C ATOM 866 O GLU A 55 -5.370 -0.743 -5.724 1.00 0.00 O ATOM 867 CB GLU A 55 -8.401 0.182 -6.020 1.00 0.00 C ATOM 868 CG GLU A 55 -7.970 -0.363 -7.372 1.00 0.00 C ATOM 869 CD GLU A 55 -9.050 -1.189 -8.042 1.00 0.00 C ATOM 870 OE1 GLU A 55 -10.044 -0.599 -8.513 1.00 0.00 O ATOM 871 OE2 GLU A 55 -8.901 -2.429 -8.094 1.00 0.00 O ATOM 0 H GLU A 55 -8.695 0.981 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.675 -1.445 -4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.451 -0.062 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.325 1.269 -6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.697 0.467 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.077 -0.975 -7.244 1.00 0.00 H new ATOM 878 N GLU A 56 -5.677 1.097 -4.465 1.00 0.00 N ATOM 879 CA GLU A 56 -4.294 1.546 -4.576 1.00 0.00 C ATOM 880 C GLU A 56 -3.360 0.644 -3.774 1.00 0.00 C ATOM 881 O GLU A 56 -2.187 0.488 -4.115 1.00 0.00 O ATOM 882 CB GLU A 56 -4.171 2.990 -4.086 1.00 0.00 C ATOM 883 CG GLU A 56 -4.518 4.023 -5.144 1.00 0.00 C ATOM 884 CD GLU A 56 -3.621 5.243 -5.086 1.00 0.00 C ATOM 885 OE1 GLU A 56 -3.118 5.558 -3.986 1.00 0.00 O ATOM 886 OE2 GLU A 56 -3.419 5.884 -6.139 1.00 0.00 O ATOM 0 H GLU A 56 -6.273 1.708 -3.906 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.003 1.495 -5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.825 3.130 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.151 3.163 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.440 3.567 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.555 4.333 -5.017 1.00 0.00 H new ATOM 893 N VAL A 57 -3.887 0.052 -2.708 1.00 0.00 N ATOM 894 CA VAL A 57 -3.103 -0.836 -1.856 1.00 0.00 C ATOM 895 C VAL A 57 -3.056 -2.246 -2.432 1.00 0.00 C ATOM 896 O VAL A 57 -2.126 -3.005 -2.164 1.00 0.00 O ATOM 897 CB VAL A 57 -3.677 -0.895 -0.428 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.741 -1.661 0.493 1.00 0.00 C ATOM 899 CG2 VAL A 57 -3.936 0.508 0.105 1.00 0.00 C ATOM 0 H VAL A 57 -4.856 0.171 -2.412 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.093 -0.428 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.629 -1.425 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.164 -1.692 1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.616 -2.678 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.772 -1.163 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.341 0.445 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.001 1.068 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.651 1.017 -0.542 1.00 0.00 H new ATOM 909 N LYS A 58 -4.074 -2.591 -3.211 1.00 0.00 N ATOM 910 CA LYS A 58 -4.168 -3.911 -3.822 1.00 0.00 C ATOM 911 C LYS A 58 -3.212 -4.058 -5.005 1.00 0.00 C ATOM 912 O LYS A 58 -2.776 -5.162 -5.323 1.00 0.00 O ATOM 913 CB LYS A 58 -5.602 -4.169 -4.283 1.00 0.00 C ATOM 914 CG LYS A 58 -6.398 -5.049 -3.335 1.00 0.00 C ATOM 915 CD LYS A 58 -7.734 -5.452 -3.939 1.00 0.00 C ATOM 916 CE LYS A 58 -8.559 -6.281 -2.969 1.00 0.00 C ATOM 917 NZ LYS A 58 -10.007 -5.946 -3.044 1.00 0.00 N ATOM 0 H LYS A 58 -4.851 -1.970 -3.436 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.883 -4.646 -3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.115 -3.214 -4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.579 -4.637 -5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.821 -5.942 -3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.566 -4.518 -2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.291 -4.558 -4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.564 -6.022 -4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.420 -7.340 -3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.200 -6.115 -1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.535 -6.533 -2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.143 -4.942 -2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.356 -6.129 -4.006 1.00 0.00 H new ATOM 931 N LYS A 59 -2.911 -2.946 -5.669 1.00 0.00 N ATOM 932 CA LYS A 59 -2.026 -2.967 -6.832 1.00 0.00 C ATOM 933 C LYS A 59 -0.566 -3.164 -6.433 1.00 0.00 C ATOM 934 O LYS A 59 0.174 -3.877 -7.108 1.00 0.00 O ATOM 935 CB LYS A 59 -2.168 -1.672 -7.635 1.00 0.00 C ATOM 936 CG LYS A 59 -1.308 -1.637 -8.890 1.00 0.00 C ATOM 937 CD LYS A 59 -0.315 -0.484 -8.863 1.00 0.00 C ATOM 938 CE LYS A 59 -0.963 0.823 -9.296 1.00 0.00 C ATOM 939 NZ LYS A 59 -0.240 1.449 -10.437 1.00 0.00 N ATOM 0 H LYS A 59 -3.265 -2.021 -5.424 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.325 -3.814 -7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.213 -1.542 -7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.902 -0.828 -6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.768 -2.579 -8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.949 -1.545 -9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.089 -0.375 -7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.524 -0.710 -9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.999 0.638 -9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.982 1.515 -8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.712 2.337 -10.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.742 1.649 -10.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.244 0.799 -11.249 1.00 0.00 H new ATOM 953 N LEU A 60 -0.149 -2.520 -5.349 1.00 0.00 N ATOM 954 CA LEU A 60 1.233 -2.627 -4.891 1.00 0.00 C ATOM 955 C LEU A 60 1.487 -3.934 -4.150 1.00 0.00 C ATOM 956 O LEU A 60 2.615 -4.417 -4.106 1.00 0.00 O ATOM 957 CB LEU A 60 1.595 -1.451 -3.989 1.00 0.00 C ATOM 958 CG LEU A 60 3.062 -1.029 -4.070 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.177 0.433 -4.454 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.774 -1.296 -2.753 1.00 0.00 C ATOM 0 H LEU A 60 -0.742 -1.922 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 60 1.864 -2.611 -5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.968 -0.599 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.360 -1.713 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 60 3.545 -1.625 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.229 0.714 -4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.710 0.592 -5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.675 1.046 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.816 -0.988 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.290 -0.731 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.727 -2.360 -2.523 1.00 0.00 H new ATOM 972 N GLU A 61 0.443 -4.496 -3.562 1.00 0.00 N ATOM 973 CA GLU A 61 0.570 -5.744 -2.822 1.00 0.00 C ATOM 974 C GLU A 61 0.799 -6.918 -3.770 1.00 0.00 C ATOM 975 O GLU A 61 1.598 -7.810 -3.491 1.00 0.00 O ATOM 976 CB GLU A 61 -0.682 -5.982 -1.979 1.00 0.00 C ATOM 977 CG GLU A 61 -0.384 -6.480 -0.574 1.00 0.00 C ATOM 978 CD GLU A 61 -1.522 -7.293 0.010 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.494 -6.684 0.503 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.440 -8.539 -0.025 1.00 0.00 O ATOM 0 H GLU A 61 -0.501 -4.110 -3.582 1.00 0.00 H new ATOM 0 HA GLU A 61 1.434 -5.666 -2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.248 -5.053 -1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.318 -6.708 -2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.520 -7.088 -0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.181 -5.627 0.074 1.00 0.00 H new ATOM 987 N GLU A 62 0.089 -6.905 -4.893 1.00 0.00 N ATOM 988 CA GLU A 62 0.203 -7.962 -5.890 1.00 0.00 C ATOM 989 C GLU A 62 1.485 -7.813 -6.711 1.00 0.00 C ATOM 990 O GLU A 62 2.015 -8.792 -7.234 1.00 0.00 O ATOM 991 CB GLU A 62 -1.014 -7.938 -6.816 1.00 0.00 C ATOM 992 CG GLU A 62 -1.574 -9.316 -7.117 1.00 0.00 C ATOM 993 CD GLU A 62 -2.596 -9.299 -8.237 1.00 0.00 C ATOM 994 OE1 GLU A 62 -2.464 -8.458 -9.150 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.530 -10.128 -8.201 1.00 0.00 O ATOM 0 H GLU A 62 -0.575 -6.170 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 62 0.244 -8.918 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.795 -7.329 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.738 -7.454 -7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.757 -9.985 -7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.035 -9.722 -6.216 1.00 0.00 H new ATOM 1002 N GLU A 63 1.970 -6.582 -6.822 1.00 0.00 N ATOM 1003 CA GLU A 63 3.184 -6.298 -7.582 1.00 0.00 C ATOM 1004 C GLU A 63 4.396 -6.988 -6.962 1.00 0.00 C ATOM 1005 O GLU A 63 5.061 -7.798 -7.607 1.00 0.00 O ATOM 1006 CB GLU A 63 3.416 -4.786 -7.650 1.00 0.00 C ATOM 1007 CG GLU A 63 3.395 -4.227 -9.062 1.00 0.00 C ATOM 1008 CD GLU A 63 4.779 -4.138 -9.675 1.00 0.00 C ATOM 1009 OE1 GLU A 63 5.645 -4.959 -9.308 1.00 0.00 O ATOM 1010 OE2 GLU A 63 4.996 -3.245 -10.522 1.00 0.00 O ATOM 0 H GLU A 63 1.541 -5.762 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 63 3.053 -6.688 -8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.651 -4.283 -7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.377 -4.554 -7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.764 -4.857 -9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.943 -3.235 -9.049 1.00 0.00 H new ATOM 1017 N ILE A 64 4.673 -6.658 -5.706 1.00 0.00 N ATOM 1018 CA ILE A 64 5.799 -7.236 -4.984 1.00 0.00 C ATOM 1019 C ILE A 64 5.777 -8.761 -5.052 1.00 0.00 C ATOM 1020 O ILE A 64 6.821 -9.410 -4.980 1.00 0.00 O ATOM 1021 CB ILE A 64 5.795 -6.801 -3.504 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.663 -5.280 -3.389 1.00 0.00 C ATOM 1023 CG2 ILE A 64 7.060 -7.281 -2.806 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.619 -4.783 -1.959 1.00 0.00 C ATOM 0 H ILE A 64 4.128 -5.988 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 64 6.705 -6.868 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 64 4.935 -7.257 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.502 -4.811 -3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.756 -4.962 -3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.042 -6.966 -1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.113 -8.369 -2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.933 -6.853 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.525 -3.697 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.764 -5.224 -1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.537 -5.070 -1.446 1.00 0.00 H new ATOM 1036 N LYS A 65 4.582 -9.325 -5.190 1.00 0.00 N ATOM 1037 CA LYS A 65 4.423 -10.773 -5.268 1.00 0.00 C ATOM 1038 C LYS A 65 5.141 -11.334 -6.491 1.00 0.00 C ATOM 1039 O LYS A 65 5.657 -12.451 -6.462 1.00 0.00 O ATOM 1040 CB LYS A 65 2.940 -11.142 -5.314 1.00 0.00 C ATOM 1041 CG LYS A 65 2.406 -11.683 -3.997 1.00 0.00 C ATOM 1042 CD LYS A 65 1.799 -10.579 -3.147 1.00 0.00 C ATOM 1043 CE LYS A 65 1.373 -11.098 -1.783 1.00 0.00 C ATOM 1044 NZ LYS A 65 0.096 -11.861 -1.853 1.00 0.00 N ATOM 0 H LYS A 65 3.709 -8.801 -5.250 1.00 0.00 H new ATOM 0 HA LYS A 65 4.870 -11.212 -4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.364 -10.261 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.784 -11.888 -6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.654 -12.447 -4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.214 -12.165 -3.446 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.524 -9.775 -3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.937 -10.154 -3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.156 -11.738 -1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.258 -10.260 -1.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.160 -12.198 -0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.658 -11.243 -2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.213 -12.676 -2.489 1.00 0.00 H new ATOM 1058 N LYS A 66 5.171 -10.550 -7.564 1.00 0.00 N ATOM 1059 CA LYS A 66 5.826 -10.969 -8.796 1.00 0.00 C ATOM 1060 C LYS A 66 7.338 -11.024 -8.615 1.00 0.00 C ATOM 1061 O LYS A 66 7.974 -12.035 -8.911 1.00 0.00 O ATOM 1062 CB LYS A 66 5.472 -10.013 -9.937 1.00 0.00 C ATOM 1063 CG LYS A 66 3.979 -9.758 -10.075 1.00 0.00 C ATOM 1064 CD LYS A 66 3.412 -10.422 -11.319 1.00 0.00 C ATOM 1065 CE LYS A 66 3.528 -9.518 -12.535 1.00 0.00 C ATOM 1066 NZ LYS A 66 4.903 -8.968 -12.688 1.00 0.00 N ATOM 0 H LYS A 66 4.749 -9.622 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 66 5.471 -11.969 -9.046 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.981 -9.063 -9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.851 -10.422 -10.874 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.462 -10.135 -9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.795 -8.685 -10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.941 -11.356 -11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.365 -10.676 -11.152 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.259 -10.078 -13.431 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.816 -8.697 -12.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.954 -8.398 -13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.131 -8.371 -11.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.585 -9.751 -12.747 1.00 0.00 H new ATOM 1080 N LEU A 67 7.908 -9.927 -8.126 1.00 0.00 N ATOM 1081 CA LEU A 67 9.344 -9.846 -7.903 1.00 0.00 C ATOM 1082 C LEU A 67 9.754 -10.670 -6.687 1.00 0.00 C ATOM 1083 O LEU A 67 10.906 -10.516 -6.228 1.00 0.00 O ATOM 1084 CB LEU A 67 9.767 -8.388 -7.714 1.00 0.00 C ATOM 1085 CG LEU A 67 8.822 -7.540 -6.857 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.609 -6.715 -5.848 1.00 0.00 C ATOM 1087 CD2 LEU A 67 7.969 -6.637 -7.737 1.00 0.00 C ATOM 1088 OXT LEU A 67 8.919 -11.462 -6.201 1.00 0.00 O ATOM 0 H LEU A 67 7.395 -9.081 -7.877 1.00 0.00 H new ATOM 0 HA LEU A 67 9.848 -10.254 -8.779 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.758 -8.370 -7.260 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.857 -7.923 -8.695 1.00 0.00 H new ATOM 0 HG LEU A 67 8.160 -8.211 -6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.920 -6.119 -5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.175 -7.381 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.296 -6.053 -6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.304 -6.042 -7.111 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.615 -5.974 -8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.376 -7.247 -8.418 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 8.027 2.481 3.175 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.806 1.914 2.878 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.730 0.772 2.088 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.897 0.206 1.600 1.00 0.00 C HETATM 1105 C4 HTS A 101 9.122 0.770 1.897 1.00 0.00 C HETATM 1106 C5 HTS A 101 9.188 1.907 2.684 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.641 2.470 3.358 1.00 0.00 O HETATM 1108 S1 HTS A 101 5.118 0.175 1.803 1.00 0.00 S HETATM 0 HO1 HTS A 101 5.671 2.499 4.337 1.00 0.00 H new HETATM 0 H6 HTS A 101 8.079 3.377 3.793 1.00 0.00 H new HETATM 0 H5 HTS A 101 10.155 2.351 2.918 1.00 0.00 H new HETATM 0 H4 HTS A 101 10.037 0.320 1.512 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.848 -0.688 0.979 1.00 0.00 H new