USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 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 Set 1.1: A 38 LYS NZ :NH3+ 168:sc= -0.387 (180deg=-0.689) USER MOD Set 1.2: A 101 HTS O1 : rot 170:sc= 1 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+ 177:sc= 0.0301 (180deg=0.0294) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00932) USER MOD Single : A 33 LYS NZ :NH3+ -145:sc= 0.635 (180deg=-1.29) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0452) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc=-0.000776 (180deg=-0.0873) 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+ -161:sc= 0.166 (180deg=-0.0093) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.674 1.102 15.720 1.00 0.00 N ATOM 2 CA GLY A 1 -13.067 0.940 14.371 1.00 0.00 C ATOM 3 C GLY A 1 -12.780 -0.510 14.034 1.00 0.00 C ATOM 4 O GLY A 1 -12.081 -1.200 14.777 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.851 2.111 15.902 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.573 0.580 15.761 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.023 0.729 16.440 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.739 1.358 13.621 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.140 1.511 14.322 1.00 0.00 H new ATOM 10 N SER A 2 -13.320 -0.974 12.912 1.00 0.00 N ATOM 11 CA SER A 2 -13.118 -2.352 12.478 1.00 0.00 C ATOM 12 C SER A 2 -13.207 -2.462 10.959 1.00 0.00 C ATOM 13 O SER A 2 -13.627 -3.489 10.426 1.00 0.00 O ATOM 14 CB SER A 2 -14.153 -3.270 13.130 1.00 0.00 C ATOM 15 OG SER A 2 -15.423 -3.122 12.518 1.00 0.00 O ATOM 0 H SER A 2 -13.901 -0.416 12.286 1.00 0.00 H new ATOM 0 HA SER A 2 -12.120 -2.663 12.788 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.826 -4.307 13.050 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.229 -3.041 14.193 1.00 0.00 H new ATOM 0 HG SER A 2 -16.067 -3.721 12.951 1.00 0.00 H new ATOM 21 N ARG A 3 -12.808 -1.399 10.269 1.00 0.00 N ATOM 22 CA ARG A 3 -12.842 -1.377 8.812 1.00 0.00 C ATOM 23 C ARG A 3 -11.595 -0.704 8.249 1.00 0.00 C ATOM 24 O ARG A 3 -10.691 -1.371 7.746 1.00 0.00 O ATOM 25 CB ARG A 3 -14.097 -0.650 8.322 1.00 0.00 C ATOM 26 CG ARG A 3 -15.229 -1.587 7.932 1.00 0.00 C ATOM 27 CD ARG A 3 -16.341 -0.850 7.202 1.00 0.00 C ATOM 28 NE ARG A 3 -17.538 -0.708 8.028 1.00 0.00 N ATOM 29 CZ ARG A 3 -17.715 0.264 8.920 1.00 0.00 C ATOM 30 NH1 ARG A 3 -16.781 1.190 9.101 1.00 0.00 N ATOM 31 NH2 ARG A 3 -18.833 0.313 9.632 1.00 0.00 N ATOM 0 H ARG A 3 -12.457 -0.541 10.696 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.866 -2.407 8.457 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.447 0.022 9.105 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.836 -0.031 7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.841 -2.382 7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.633 -2.062 8.826 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.987 0.137 6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.593 -1.388 6.288 1.00 0.00 H new ATOM 0 HE ARG A 3 -18.283 -1.395 7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.920 1.160 8.555 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.924 1.932 9.786 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -19.556 -0.394 9.496 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -18.970 1.057 10.316 1.00 0.00 H new ATOM 45 N VAL A 4 -11.551 0.621 8.339 1.00 0.00 N ATOM 46 CA VAL A 4 -10.412 1.383 7.840 1.00 0.00 C ATOM 47 C VAL A 4 -9.159 1.092 8.657 1.00 0.00 C ATOM 48 O VAL A 4 -8.045 1.139 8.137 1.00 0.00 O ATOM 49 CB VAL A 4 -10.691 2.897 7.867 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.584 3.657 7.154 1.00 0.00 C ATOM 51 CG2 VAL A 4 -12.045 3.204 7.245 1.00 0.00 C ATOM 0 H VAL A 4 -12.290 1.189 8.753 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.251 1.072 6.808 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.713 3.224 8.907 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.799 4.725 7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.633 3.464 7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.526 3.327 6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.223 4.279 7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -12.056 2.862 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.827 2.691 7.805 1.00 0.00 H new ATOM 61 N LYS A 5 -9.348 0.788 9.938 1.00 0.00 N ATOM 62 CA LYS A 5 -8.229 0.484 10.824 1.00 0.00 C ATOM 63 C LYS A 5 -7.420 -0.692 10.285 1.00 0.00 C ATOM 64 O LYS A 5 -6.211 -0.774 10.490 1.00 0.00 O ATOM 65 CB LYS A 5 -8.737 0.167 12.233 1.00 0.00 C ATOM 66 CG LYS A 5 -7.796 0.624 13.335 1.00 0.00 C ATOM 67 CD LYS A 5 -6.721 -0.414 13.615 1.00 0.00 C ATOM 68 CE LYS A 5 -5.799 0.028 14.740 1.00 0.00 C ATOM 69 NZ LYS A 5 -4.473 -0.646 14.670 1.00 0.00 N ATOM 0 H LYS A 5 -10.264 0.746 10.385 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.582 1.360 10.870 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.708 0.641 12.376 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.892 -0.908 12.321 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.328 1.566 13.048 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.365 0.815 14.245 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.189 -1.362 13.878 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.137 -0.587 12.711 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.660 1.108 14.692 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.267 -0.191 15.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.875 -0.317 15.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.603 -1.675 14.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.014 -0.417 13.765 1.00 0.00 H new ATOM 83 N ALA A 6 -8.103 -1.596 9.590 1.00 0.00 N ATOM 84 CA ALA A 6 -7.458 -2.766 9.008 1.00 0.00 C ATOM 85 C ALA A 6 -6.705 -2.400 7.732 1.00 0.00 C ATOM 86 O ALA A 6 -5.758 -3.079 7.342 1.00 0.00 O ATOM 87 CB ALA A 6 -8.487 -3.850 8.725 1.00 0.00 C ATOM 0 H ALA A 6 -9.106 -1.540 9.416 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.734 -3.148 9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.991 -4.718 8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.976 -4.139 9.655 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.232 -3.470 8.026 1.00 0.00 H new ATOM 93 N LEU A 7 -7.143 -1.327 7.082 1.00 0.00 N ATOM 94 CA LEU A 7 -6.520 -0.870 5.846 1.00 0.00 C ATOM 95 C LEU A 7 -5.129 -0.292 6.106 1.00 0.00 C ATOM 96 O LEU A 7 -4.242 -0.378 5.255 1.00 0.00 O ATOM 97 CB LEU A 7 -7.403 0.187 5.177 1.00 0.00 C ATOM 98 CG LEU A 7 -7.666 -0.033 3.687 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.768 0.892 3.197 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.390 0.178 2.883 1.00 0.00 C ATOM 0 H LEU A 7 -7.929 -0.756 7.392 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.413 -1.730 5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.360 0.220 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.936 1.163 5.307 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.995 -1.062 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.941 0.721 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.685 0.691 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.469 1.929 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.596 0.017 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.030 1.196 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.629 -0.528 3.216 1.00 0.00 H new ATOM 112 N GLU A 8 -4.946 0.303 7.280 1.00 0.00 N ATOM 113 CA GLU A 8 -3.667 0.904 7.643 1.00 0.00 C ATOM 114 C GLU A 8 -2.685 -0.140 8.168 1.00 0.00 C ATOM 115 O GLU A 8 -1.488 -0.070 7.892 1.00 0.00 O ATOM 116 CB GLU A 8 -3.877 1.998 8.692 1.00 0.00 C ATOM 117 CG GLU A 8 -4.831 3.093 8.243 1.00 0.00 C ATOM 118 CD GLU A 8 -5.318 3.950 9.395 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.346 3.593 10.008 1.00 0.00 O ATOM 120 OE2 GLU A 8 -4.671 4.978 9.684 1.00 0.00 O ATOM 0 H GLU A 8 -5.667 0.382 7.997 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.239 1.344 6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.261 1.545 9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.914 2.445 8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.332 3.726 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.688 2.641 7.744 1.00 0.00 H new ATOM 127 N GLU A 9 -3.193 -1.103 8.929 1.00 0.00 N ATOM 128 CA GLU A 9 -2.354 -2.155 9.492 1.00 0.00 C ATOM 129 C GLU A 9 -1.876 -3.120 8.406 1.00 0.00 C ATOM 130 O GLU A 9 -0.897 -3.843 8.592 1.00 0.00 O ATOM 131 CB GLU A 9 -3.113 -2.919 10.582 1.00 0.00 C ATOM 132 CG GLU A 9 -4.189 -3.850 10.046 1.00 0.00 C ATOM 133 CD GLU A 9 -3.692 -5.269 9.858 1.00 0.00 C ATOM 134 OE1 GLU A 9 -2.460 -5.462 9.780 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.534 -6.190 9.788 1.00 0.00 O ATOM 0 H GLU A 9 -4.181 -1.177 9.170 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.478 -1.683 9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.401 -3.501 11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.573 -2.202 11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.036 -3.854 10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.553 -3.467 9.093 1.00 0.00 H new ATOM 142 N LYS A 10 -2.576 -3.128 7.276 1.00 0.00 N ATOM 143 CA LYS A 10 -2.229 -4.004 6.162 1.00 0.00 C ATOM 144 C LYS A 10 -0.994 -3.489 5.429 1.00 0.00 C ATOM 145 O LYS A 10 -0.026 -4.223 5.232 1.00 0.00 O ATOM 146 CB LYS A 10 -3.409 -4.112 5.193 1.00 0.00 C ATOM 147 CG LYS A 10 -3.928 -5.530 5.022 1.00 0.00 C ATOM 148 CD LYS A 10 -2.914 -6.414 4.313 1.00 0.00 C ATOM 149 CE LYS A 10 -2.197 -7.333 5.289 1.00 0.00 C ATOM 150 NZ LYS A 10 -0.745 -7.445 4.982 1.00 0.00 N ATOM 0 H LYS A 10 -3.389 -2.536 7.107 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.002 -4.993 6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.220 -3.478 5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.106 -3.725 4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.161 -5.953 5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.857 -5.512 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.419 -7.011 3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.185 -5.790 3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.325 -6.956 6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.652 -8.323 5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.283 -8.039 5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.621 -7.876 4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.315 -6.498 4.988 1.00 0.00 H new ATOM 164 N VAL A 11 -1.038 -2.223 5.029 1.00 0.00 N ATOM 165 CA VAL A 11 0.073 -1.603 4.316 1.00 0.00 C ATOM 166 C VAL A 11 1.336 -1.582 5.165 1.00 0.00 C ATOM 167 O VAL A 11 2.444 -1.608 4.640 1.00 0.00 O ATOM 168 CB VAL A 11 -0.264 -0.162 3.884 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.807 0.381 2.950 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.638 -0.104 3.229 1.00 0.00 C ATOM 0 H VAL A 11 -1.833 -1.604 5.187 1.00 0.00 H new ATOM 0 HA VAL A 11 0.247 -2.210 3.427 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.288 0.467 4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.551 1.399 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.769 0.382 3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.869 -0.248 2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.856 0.922 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.649 -0.747 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.393 -0.445 3.937 1.00 0.00 H new ATOM 180 N LYS A 12 1.157 -1.525 6.476 1.00 0.00 N ATOM 181 CA LYS A 12 2.280 -1.496 7.411 1.00 0.00 C ATOM 182 C LYS A 12 3.168 -2.720 7.227 1.00 0.00 C ATOM 183 O LYS A 12 4.393 -2.629 7.314 1.00 0.00 O ATOM 184 CB LYS A 12 1.771 -1.428 8.853 1.00 0.00 C ATOM 185 CG LYS A 12 2.601 -0.525 9.749 1.00 0.00 C ATOM 186 CD LYS A 12 3.539 -1.327 10.637 1.00 0.00 C ATOM 187 CE LYS A 12 2.939 -1.563 12.013 1.00 0.00 C ATOM 188 NZ LYS A 12 3.982 -1.599 13.075 1.00 0.00 N ATOM 0 H LYS A 12 0.240 -1.498 6.922 1.00 0.00 H new ATOM 0 HA LYS A 12 2.872 -0.605 7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.740 -1.074 8.849 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.761 -2.433 9.274 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.181 0.164 9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.940 0.080 10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.758 -2.285 10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.487 -0.798 10.738 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.221 -0.774 12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.389 -2.504 12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.532 -1.762 13.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.653 -2.368 12.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.490 -0.692 13.093 1.00 0.00 H new ATOM 202 N ALA A 13 2.545 -3.860 6.949 1.00 0.00 N ATOM 203 CA ALA A 13 3.286 -5.097 6.727 1.00 0.00 C ATOM 204 C ALA A 13 3.835 -5.116 5.307 1.00 0.00 C ATOM 205 O ALA A 13 4.829 -5.779 5.011 1.00 0.00 O ATOM 206 CB ALA A 13 2.392 -6.304 6.973 1.00 0.00 C ATOM 0 H ALA A 13 1.532 -3.954 6.872 1.00 0.00 H new ATOM 0 HA ALA A 13 4.119 -5.145 7.429 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.960 -7.218 6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.032 -6.286 8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.543 -6.273 6.291 1.00 0.00 H new ATOM 212 N LEU A 14 3.171 -4.362 4.442 1.00 0.00 N ATOM 213 CA LEU A 14 3.551 -4.241 3.046 1.00 0.00 C ATOM 214 C LEU A 14 4.913 -3.557 2.912 1.00 0.00 C ATOM 215 O LEU A 14 5.622 -3.745 1.923 1.00 0.00 O ATOM 216 CB LEU A 14 2.472 -3.439 2.313 1.00 0.00 C ATOM 217 CG LEU A 14 2.341 -3.707 0.814 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.122 -2.989 0.256 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.598 -3.279 0.077 1.00 0.00 C ATOM 0 H LEU A 14 2.348 -3.814 4.693 1.00 0.00 H new ATOM 0 HA LEU A 14 3.636 -5.234 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.511 -3.645 2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.676 -2.378 2.456 1.00 0.00 H new ATOM 0 HG LEU A 14 2.212 -4.779 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.040 -3.188 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.225 -3.347 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.226 -1.916 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.481 -3.479 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.764 -2.213 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.452 -3.837 0.460 1.00 0.00 H new ATOM 231 N GLU A 15 5.265 -2.756 3.914 1.00 0.00 N ATOM 232 CA GLU A 15 6.528 -2.030 3.921 1.00 0.00 C ATOM 233 C GLU A 15 7.688 -2.936 4.329 1.00 0.00 C ATOM 234 O GLU A 15 8.763 -2.888 3.731 1.00 0.00 O ATOM 235 CB GLU A 15 6.426 -0.830 4.871 1.00 0.00 C ATOM 236 CG GLU A 15 7.747 -0.120 5.117 1.00 0.00 C ATOM 237 CD GLU A 15 7.576 1.183 5.873 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.559 1.327 6.584 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.457 2.059 5.754 1.00 0.00 O ATOM 0 H GLU A 15 4.686 -2.594 4.738 1.00 0.00 H new ATOM 0 HA GLU A 15 6.728 -1.675 2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.712 -0.115 4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.025 -1.169 5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.410 -0.778 5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.232 0.080 4.161 1.00 0.00 H new ATOM 246 N GLU A 16 7.465 -3.760 5.348 1.00 0.00 N ATOM 247 CA GLU A 16 8.497 -4.674 5.830 1.00 0.00 C ATOM 248 C GLU A 16 9.046 -5.532 4.693 1.00 0.00 C ATOM 249 O GLU A 16 10.193 -5.976 4.737 1.00 0.00 O ATOM 250 CB GLU A 16 7.936 -5.571 6.933 1.00 0.00 C ATOM 251 CG GLU A 16 7.728 -4.852 8.256 1.00 0.00 C ATOM 252 CD GLU A 16 8.170 -5.679 9.447 1.00 0.00 C ATOM 253 OE1 GLU A 16 8.034 -6.920 9.391 1.00 0.00 O ATOM 254 OE2 GLU A 16 8.652 -5.087 10.435 1.00 0.00 O ATOM 0 H GLU A 16 6.582 -3.814 5.855 1.00 0.00 H new ATOM 0 HA GLU A 16 9.314 -4.076 6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.985 -5.988 6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.615 -6.410 7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.281 -3.913 8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.673 -4.599 8.366 1.00 0.00 H new ATOM 261 N LYS A 17 8.219 -5.764 3.679 1.00 0.00 N ATOM 262 CA LYS A 17 8.620 -6.572 2.533 1.00 0.00 C ATOM 263 C LYS A 17 9.543 -5.790 1.600 1.00 0.00 C ATOM 264 O LYS A 17 10.589 -6.289 1.187 1.00 0.00 O ATOM 265 CB LYS A 17 7.386 -7.045 1.764 1.00 0.00 C ATOM 266 CG LYS A 17 7.624 -8.306 0.949 1.00 0.00 C ATOM 267 CD LYS A 17 7.628 -9.545 1.830 1.00 0.00 C ATOM 268 CE LYS A 17 6.270 -10.227 1.839 1.00 0.00 C ATOM 269 NZ LYS A 17 6.370 -11.657 2.245 1.00 0.00 N ATOM 0 H LYS A 17 7.266 -5.404 3.628 1.00 0.00 H new ATOM 0 HA LYS A 17 9.167 -7.437 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.575 -7.226 2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.056 -6.248 1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.849 -8.401 0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.576 -8.228 0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.385 -10.244 1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.904 -9.268 2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.604 -9.701 2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.824 -10.162 0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.423 -12.087 2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.985 -12.165 1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.772 -11.719 3.202 1.00 0.00 H new ATOM 283 N VAL A 18 9.143 -4.567 1.266 1.00 0.00 N ATOM 284 CA VAL A 18 9.932 -3.724 0.373 1.00 0.00 C ATOM 285 C VAL A 18 11.210 -3.236 1.045 1.00 0.00 C ATOM 286 O VAL A 18 12.297 -3.345 0.478 1.00 0.00 O ATOM 287 CB VAL A 18 9.132 -2.504 -0.114 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.788 -1.892 -1.343 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.688 -2.888 -0.408 1.00 0.00 C ATOM 0 H VAL A 18 8.280 -4.138 1.599 1.00 0.00 H new ATOM 0 HA VAL A 18 10.190 -4.347 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 18 9.128 -1.757 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.208 -1.030 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.801 -1.575 -1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.825 -2.632 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.141 -2.010 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.666 -3.655 -1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.222 -3.274 0.499 1.00 0.00 H new ATOM 299 N LYS A 19 11.076 -2.695 2.252 1.00 0.00 N ATOM 300 CA LYS A 19 12.227 -2.188 2.992 1.00 0.00 C ATOM 301 C LYS A 19 13.342 -3.231 3.064 1.00 0.00 C ATOM 302 O LYS A 19 14.524 -2.889 3.092 1.00 0.00 O ATOM 303 CB LYS A 19 11.811 -1.772 4.403 1.00 0.00 C ATOM 304 CG LYS A 19 11.153 -0.404 4.462 1.00 0.00 C ATOM 305 CD LYS A 19 11.818 0.498 5.491 1.00 0.00 C ATOM 306 CE LYS A 19 11.570 1.966 5.187 1.00 0.00 C ATOM 307 NZ LYS A 19 11.754 2.822 6.392 1.00 0.00 N ATOM 0 H LYS A 19 10.184 -2.596 2.738 1.00 0.00 H new ATOM 0 HA LYS A 19 12.608 -1.317 2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.122 -2.515 4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.690 -1.772 5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.203 0.066 3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.097 -0.519 4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.437 0.262 6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.891 0.305 5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.251 2.294 4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.557 2.091 4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.576 3.816 6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.087 2.526 7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.728 2.723 6.743 1.00 0.00 H new ATOM 321 N ALA A 20 12.955 -4.502 3.091 1.00 0.00 N ATOM 322 CA ALA A 20 13.922 -5.595 3.157 1.00 0.00 C ATOM 323 C ALA A 20 14.425 -5.980 1.766 1.00 0.00 C ATOM 324 O ALA A 20 15.386 -6.737 1.633 1.00 0.00 O ATOM 325 CB ALA A 20 13.303 -6.802 3.847 1.00 0.00 C ATOM 0 H ALA A 20 11.980 -4.802 3.068 1.00 0.00 H new ATOM 0 HA ALA A 20 14.778 -5.251 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.033 -7.610 3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.004 -6.529 4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.428 -7.133 3.287 1.00 0.00 H new ATOM 331 N LEU A 21 13.772 -5.453 0.734 1.00 0.00 N ATOM 332 CA LEU A 21 14.146 -5.737 -0.639 1.00 0.00 C ATOM 333 C LEU A 21 15.377 -4.929 -1.040 1.00 0.00 C ATOM 334 O LEU A 21 15.754 -3.975 -0.359 1.00 0.00 O ATOM 335 CB LEU A 21 12.970 -5.397 -1.554 1.00 0.00 C ATOM 336 CG LEU A 21 12.501 -6.524 -2.478 1.00 0.00 C ATOM 337 CD1 LEU A 21 11.196 -6.142 -3.158 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.564 -6.853 -3.514 1.00 0.00 C ATOM 0 H LEU A 21 12.976 -4.823 0.829 1.00 0.00 H new ATOM 0 HA LEU A 21 14.392 -6.795 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.129 -5.086 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 21 13.247 -4.540 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 21 12.331 -7.414 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.875 -6.953 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.431 -5.961 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.344 -5.238 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.208 -7.656 -4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.771 -5.969 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.477 -7.170 -3.010 1.00 0.00 H new ATOM 350 N GLY A 22 15.995 -5.314 -2.149 1.00 0.00 N ATOM 351 CA GLY A 22 17.174 -4.613 -2.623 1.00 0.00 C ATOM 352 C GLY A 22 16.857 -3.208 -3.096 1.00 0.00 C ATOM 353 O GLY A 22 17.055 -2.239 -2.362 1.00 0.00 O ATOM 0 H GLY A 22 15.701 -6.100 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.913 -4.567 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.625 -5.176 -3.440 1.00 0.00 H new ATOM 357 N GLY A 23 16.361 -3.097 -4.324 1.00 0.00 N ATOM 358 CA GLY A 23 16.022 -1.796 -4.873 1.00 0.00 C ATOM 359 C GLY A 23 16.618 -1.572 -6.248 1.00 0.00 C ATOM 360 O GLY A 23 17.817 -1.761 -6.450 1.00 0.00 O ATOM 0 H GLY A 23 16.188 -3.884 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.938 -1.701 -4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 23 16.374 -1.017 -4.197 1.00 0.00 H new ATOM 364 N GLY A 24 15.778 -1.168 -7.196 1.00 0.00 N ATOM 365 CA GLY A 24 16.248 -0.924 -8.547 1.00 0.00 C ATOM 366 C GLY A 24 15.312 -1.487 -9.598 1.00 0.00 C ATOM 367 O GLY A 24 15.475 -2.626 -10.037 1.00 0.00 O ATOM 0 H GLY A 24 14.781 -1.005 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.359 0.149 -8.701 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.236 -1.367 -8.670 1.00 0.00 H new ATOM 371 N GLY A 25 14.331 -0.688 -10.005 1.00 0.00 N ATOM 372 CA GLY A 25 13.381 -1.130 -11.009 1.00 0.00 C ATOM 373 C GLY A 25 11.967 -1.230 -10.469 1.00 0.00 C ATOM 374 O GLY A 25 11.382 -0.229 -10.056 1.00 0.00 O ATOM 0 H GLY A 25 14.177 0.258 -9.657 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.397 -0.436 -11.850 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.689 -2.103 -11.393 1.00 0.00 H new ATOM 378 N ARG A 26 11.418 -2.440 -10.474 1.00 0.00 N ATOM 379 CA ARG A 26 10.063 -2.667 -9.983 1.00 0.00 C ATOM 380 C ARG A 26 9.927 -2.227 -8.527 1.00 0.00 C ATOM 381 O ARG A 26 8.841 -1.867 -8.077 1.00 0.00 O ATOM 382 CB ARG A 26 9.681 -4.147 -10.127 1.00 0.00 C ATOM 383 CG ARG A 26 10.281 -5.051 -9.057 1.00 0.00 C ATOM 384 CD ARG A 26 11.789 -5.161 -9.205 1.00 0.00 C ATOM 385 NE ARG A 26 12.328 -6.308 -8.477 1.00 0.00 N ATOM 386 CZ ARG A 26 13.473 -6.912 -8.786 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.208 -6.483 -9.805 1.00 0.00 N ATOM 388 NH2 ARG A 26 13.887 -7.949 -8.070 1.00 0.00 N ATOM 0 H ARG A 26 11.890 -3.279 -10.812 1.00 0.00 H new ATOM 0 HA ARG A 26 9.382 -2.067 -10.586 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.595 -4.236 -10.095 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.001 -4.500 -11.107 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.039 -4.659 -8.069 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.834 -6.043 -9.124 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.044 -5.249 -10.261 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.257 -4.247 -8.839 1.00 0.00 H new ATOM 0 HE ARG A 26 11.795 -6.667 -7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.896 -5.685 -10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.084 -6.952 -10.035 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.328 -8.282 -7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.764 -8.413 -8.305 1.00 0.00 H new ATOM 402 N ILE A 27 11.035 -2.270 -7.796 1.00 0.00 N ATOM 403 CA ILE A 27 11.038 -1.887 -6.390 1.00 0.00 C ATOM 404 C ILE A 27 10.927 -0.374 -6.223 1.00 0.00 C ATOM 405 O ILE A 27 10.401 0.110 -5.223 1.00 0.00 O ATOM 406 CB ILE A 27 12.313 -2.382 -5.677 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.481 -3.889 -5.877 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.261 -2.045 -4.194 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.913 -4.359 -5.749 1.00 0.00 C ATOM 0 H ILE A 27 11.943 -2.566 -8.154 1.00 0.00 H new ATOM 0 HA ILE A 27 10.167 -2.359 -5.935 1.00 0.00 H new ATOM 0 HB ILE A 27 13.173 -1.875 -6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.868 -4.415 -5.146 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.105 -4.161 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.169 -2.402 -3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.183 -0.965 -4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.394 -2.526 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.957 -5.437 -5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.528 -3.860 -6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.287 -4.119 -4.754 1.00 0.00 H new ATOM 421 N GLU A 28 11.439 0.367 -7.201 1.00 0.00 N ATOM 422 CA GLU A 28 11.408 1.826 -7.154 1.00 0.00 C ATOM 423 C GLU A 28 9.977 2.361 -7.169 1.00 0.00 C ATOM 424 O GLU A 28 9.579 3.113 -6.280 1.00 0.00 O ATOM 425 CB GLU A 28 12.192 2.406 -8.331 1.00 0.00 C ATOM 426 CG GLU A 28 12.669 3.831 -8.102 1.00 0.00 C ATOM 427 CD GLU A 28 12.541 4.697 -9.339 1.00 0.00 C ATOM 428 OE1 GLU A 28 12.858 4.205 -10.443 1.00 0.00 O ATOM 429 OE2 GLU A 28 12.121 5.865 -9.205 1.00 0.00 O ATOM 0 H GLU A 28 11.880 -0.018 -8.036 1.00 0.00 H new ATOM 0 HA GLU A 28 11.872 2.137 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.055 1.771 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.565 2.381 -9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.093 4.276 -7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.711 3.814 -7.782 1.00 0.00 H new ATOM 436 N GLU A 29 9.210 1.982 -8.188 1.00 0.00 N ATOM 437 CA GLU A 29 7.828 2.438 -8.318 1.00 0.00 C ATOM 438 C GLU A 29 6.987 2.015 -7.117 1.00 0.00 C ATOM 439 O GLU A 29 6.183 2.792 -6.603 1.00 0.00 O ATOM 440 CB GLU A 29 7.207 1.888 -9.606 1.00 0.00 C ATOM 441 CG GLU A 29 5.745 2.268 -9.791 1.00 0.00 C ATOM 442 CD GLU A 29 5.531 3.216 -10.955 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.322 3.160 -11.921 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.572 4.015 -10.903 1.00 0.00 O ATOM 0 H GLU A 29 9.521 1.361 -8.935 1.00 0.00 H new ATOM 0 HA GLU A 29 7.840 3.527 -8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.779 2.253 -10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.294 0.801 -9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.156 1.365 -9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.376 2.732 -8.877 1.00 0.00 H new ATOM 451 N LEU A 30 7.172 0.775 -6.682 1.00 0.00 N ATOM 452 CA LEU A 30 6.425 0.236 -5.550 1.00 0.00 C ATOM 453 C LEU A 30 6.734 0.988 -4.256 1.00 0.00 C ATOM 454 O LEU A 30 5.956 0.942 -3.307 1.00 0.00 O ATOM 455 CB LEU A 30 6.736 -1.251 -5.375 1.00 0.00 C ATOM 456 CG LEU A 30 6.369 -2.132 -6.569 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.010 -3.505 -6.438 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.859 -2.256 -6.695 1.00 0.00 C ATOM 0 H LEU A 30 7.835 0.121 -7.097 1.00 0.00 H new ATOM 0 HA LEU A 30 5.364 0.364 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.801 -1.363 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.206 -1.617 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 30 6.752 -1.661 -7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.737 -4.117 -7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.094 -3.398 -6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.659 -3.985 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.616 -2.887 -7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.454 -2.703 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.423 -1.267 -6.838 1.00 0.00 H new ATOM 470 N LYS A 31 7.877 1.663 -4.217 1.00 0.00 N ATOM 471 CA LYS A 31 8.285 2.406 -3.026 1.00 0.00 C ATOM 472 C LYS A 31 7.508 3.713 -2.879 1.00 0.00 C ATOM 473 O LYS A 31 6.841 3.933 -1.872 1.00 0.00 O ATOM 474 CB LYS A 31 9.786 2.696 -3.080 1.00 0.00 C ATOM 475 CG LYS A 31 10.301 3.477 -1.882 1.00 0.00 C ATOM 476 CD LYS A 31 11.683 3.005 -1.458 1.00 0.00 C ATOM 477 CE LYS A 31 11.778 2.842 0.052 1.00 0.00 C ATOM 478 NZ LYS A 31 13.185 2.923 0.534 1.00 0.00 N ATOM 0 H LYS A 31 8.537 1.712 -4.993 1.00 0.00 H new ATOM 0 HA LYS A 31 8.062 1.787 -2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.327 1.752 -3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.007 3.255 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.338 4.538 -2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.607 3.366 -1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.909 2.055 -1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.433 3.721 -1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.183 3.615 0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.350 1.882 0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.205 2.807 1.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.748 2.170 0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.586 3.849 0.282 1.00 0.00 H new ATOM 492 N LYS A 32 7.610 4.580 -3.880 1.00 0.00 N ATOM 493 CA LYS A 32 6.926 5.872 -3.853 1.00 0.00 C ATOM 494 C LYS A 32 5.444 5.721 -3.515 1.00 0.00 C ATOM 495 O LYS A 32 4.950 6.328 -2.566 1.00 0.00 O ATOM 496 CB LYS A 32 7.079 6.577 -5.201 1.00 0.00 C ATOM 497 CG LYS A 32 6.463 7.966 -5.234 1.00 0.00 C ATOM 498 CD LYS A 32 6.054 8.361 -6.643 1.00 0.00 C ATOM 499 CE LYS A 32 5.427 9.746 -6.675 1.00 0.00 C ATOM 500 NZ LYS A 32 6.438 10.818 -6.467 1.00 0.00 N ATOM 0 H LYS A 32 8.160 4.413 -4.723 1.00 0.00 H new ATOM 0 HA LYS A 32 7.390 6.473 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.139 6.653 -5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.617 5.965 -5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.592 7.994 -4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.178 8.691 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.927 8.341 -7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.346 7.631 -7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.930 9.897 -7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.660 9.815 -5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.976 11.748 -6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.871 10.709 -5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.174 10.747 -7.198 1.00 0.00 H new ATOM 514 N LYS A 33 4.741 4.918 -4.303 1.00 0.00 N ATOM 515 CA LYS A 33 3.312 4.693 -4.101 1.00 0.00 C ATOM 516 C LYS A 33 3.025 4.056 -2.741 1.00 0.00 C ATOM 517 O LYS A 33 1.923 4.183 -2.212 1.00 0.00 O ATOM 518 CB LYS A 33 2.753 3.811 -5.219 1.00 0.00 C ATOM 519 CG LYS A 33 1.393 4.263 -5.727 1.00 0.00 C ATOM 520 CD LYS A 33 0.264 3.666 -4.902 1.00 0.00 C ATOM 521 CE LYS A 33 0.184 2.157 -5.073 1.00 0.00 C ATOM 522 NZ LYS A 33 -1.031 1.748 -5.830 1.00 0.00 N ATOM 0 H LYS A 33 5.138 4.408 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 33 2.819 5.665 -4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.458 3.802 -6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.674 2.786 -4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.334 5.351 -5.693 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.277 3.970 -6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.415 3.906 -3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.683 4.117 -5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.073 1.803 -5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.179 1.680 -4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.384 0.843 -5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.767 2.476 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.793 1.639 -6.836 1.00 0.00 H new ATOM 536 N CYS A 34 4.010 3.351 -2.194 1.00 0.00 N ATOM 537 CA CYS A 34 3.850 2.673 -0.906 1.00 0.00 C ATOM 538 C CYS A 34 3.545 3.649 0.230 1.00 0.00 C ATOM 539 O CYS A 34 2.536 3.514 0.922 1.00 0.00 O ATOM 540 CB CYS A 34 5.125 1.899 -0.573 1.00 0.00 C ATOM 541 SG CYS A 34 4.846 0.146 -0.168 1.00 0.00 S ATOM 0 H CYS A 34 4.929 3.232 -2.620 1.00 0.00 H new ATOM 0 HA CYS A 34 3.002 1.995 -0.999 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.807 1.961 -1.421 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.620 2.381 0.270 1.00 0.00 H new ATOM 546 N GLU A 35 4.438 4.610 0.435 1.00 0.00 N ATOM 547 CA GLU A 35 4.278 5.586 1.511 1.00 0.00 C ATOM 548 C GLU A 35 3.087 6.511 1.274 1.00 0.00 C ATOM 549 O GLU A 35 2.197 6.608 2.115 1.00 0.00 O ATOM 550 CB GLU A 35 5.556 6.410 1.687 1.00 0.00 C ATOM 551 CG GLU A 35 6.115 6.945 0.384 1.00 0.00 C ATOM 552 CD GLU A 35 6.444 8.423 0.449 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.611 9.195 0.972 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.534 8.810 -0.020 1.00 0.00 O ATOM 0 H GLU A 35 5.280 4.736 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 35 4.085 5.025 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.350 7.246 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.313 5.793 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.015 6.388 0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.393 6.773 -0.414 1.00 0.00 H new ATOM 561 N GLU A 36 3.075 7.194 0.134 1.00 0.00 N ATOM 562 CA GLU A 36 1.994 8.115 -0.201 1.00 0.00 C ATOM 563 C GLU A 36 0.626 7.477 0.031 1.00 0.00 C ATOM 564 O GLU A 36 -0.355 8.167 0.304 1.00 0.00 O ATOM 565 CB GLU A 36 2.116 8.567 -1.657 1.00 0.00 C ATOM 566 CG GLU A 36 1.389 9.869 -1.954 1.00 0.00 C ATOM 567 CD GLU A 36 2.300 10.925 -2.548 1.00 0.00 C ATOM 568 OE1 GLU A 36 3.258 11.337 -1.861 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.056 11.339 -3.701 1.00 0.00 O ATOM 0 H GLU A 36 3.804 7.127 -0.576 1.00 0.00 H new ATOM 0 HA GLU A 36 2.080 8.981 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.171 8.685 -1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.722 7.785 -2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.568 9.673 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.947 10.252 -1.034 1.00 0.00 H new ATOM 576 N LEU A 37 0.573 6.157 -0.092 1.00 0.00 N ATOM 577 CA LEU A 37 -0.667 5.414 0.093 1.00 0.00 C ATOM 578 C LEU A 37 -1.134 5.465 1.546 1.00 0.00 C ATOM 579 O LEU A 37 -2.328 5.585 1.819 1.00 0.00 O ATOM 580 CB LEU A 37 -0.468 3.960 -0.352 1.00 0.00 C ATOM 581 CG LEU A 37 -1.585 2.985 0.037 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.955 3.622 -0.151 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.474 1.703 -0.777 1.00 0.00 C ATOM 0 H LEU A 37 1.380 5.576 -0.320 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.440 5.878 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.358 3.943 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.469 3.596 0.069 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.471 2.739 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.730 2.909 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.032 4.510 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.085 3.903 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.273 1.020 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.560 1.937 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.509 1.233 -0.586 1.00 0.00 H new ATOM 595 N LYS A 38 -0.188 5.365 2.474 1.00 0.00 N ATOM 596 CA LYS A 38 -0.509 5.391 3.898 1.00 0.00 C ATOM 597 C LYS A 38 -1.052 6.754 4.324 1.00 0.00 C ATOM 598 O LYS A 38 -2.164 6.853 4.844 1.00 0.00 O ATOM 599 CB LYS A 38 0.732 5.045 4.725 1.00 0.00 C ATOM 600 CG LYS A 38 0.436 4.143 5.913 1.00 0.00 C ATOM 601 CD LYS A 38 1.645 4.009 6.826 1.00 0.00 C ATOM 602 CE LYS A 38 2.335 2.666 6.644 1.00 0.00 C ATOM 603 NZ LYS A 38 2.500 2.316 5.206 1.00 0.00 N ATOM 0 H LYS A 38 0.806 5.265 2.267 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.284 4.646 4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.464 4.557 4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.189 5.967 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.404 4.547 6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.137 3.157 5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.351 4.813 6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.332 4.121 7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.312 2.692 7.126 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.755 1.889 7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.146 1.506 5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.575 2.067 4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.895 3.130 4.694 1.00 0.00 H new ATOM 617 N LYS A 39 -0.260 7.799 4.106 1.00 0.00 N ATOM 618 CA LYS A 39 -0.658 9.156 4.472 1.00 0.00 C ATOM 619 C LYS A 39 -2.021 9.512 3.886 1.00 0.00 C ATOM 620 O LYS A 39 -2.749 10.334 4.442 1.00 0.00 O ATOM 621 CB LYS A 39 0.397 10.164 4.006 1.00 0.00 C ATOM 622 CG LYS A 39 0.753 10.053 2.533 1.00 0.00 C ATOM 623 CD LYS A 39 2.146 10.602 2.262 1.00 0.00 C ATOM 624 CE LYS A 39 2.163 11.514 1.046 1.00 0.00 C ATOM 625 NZ LYS A 39 3.164 12.608 1.187 1.00 0.00 N ATOM 0 H LYS A 39 0.663 7.733 3.677 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.737 9.199 5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.034 11.172 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.301 10.027 4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.703 9.010 2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.022 10.599 1.937 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.497 11.153 3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.839 9.775 2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.389 10.928 0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.172 11.945 0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.145 13.208 0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.934 13.183 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.113 12.198 1.300 1.00 0.00 H new ATOM 639 N LYS A 40 -2.362 8.890 2.763 1.00 0.00 N ATOM 640 CA LYS A 40 -3.639 9.145 2.107 1.00 0.00 C ATOM 641 C LYS A 40 -4.797 8.611 2.944 1.00 0.00 C ATOM 642 O LYS A 40 -5.908 9.137 2.890 1.00 0.00 O ATOM 643 CB LYS A 40 -3.661 8.508 0.716 1.00 0.00 C ATOM 644 CG LYS A 40 -4.956 8.750 -0.042 1.00 0.00 C ATOM 645 CD LYS A 40 -4.737 8.708 -1.546 1.00 0.00 C ATOM 646 CE LYS A 40 -6.054 8.606 -2.300 1.00 0.00 C ATOM 647 NZ LYS A 40 -6.205 9.696 -3.303 1.00 0.00 N ATOM 0 H LYS A 40 -1.773 8.206 2.288 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.756 10.224 2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.829 8.901 0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.502 7.434 0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.691 7.996 0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.368 9.719 0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.204 9.605 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.105 7.857 -1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.111 7.640 -2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.882 8.647 -1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.115 9.591 -3.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.176 10.617 -2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.429 9.642 -3.994 1.00 0.00 H new ATOM 661 N ILE A 41 -4.532 7.565 3.721 1.00 0.00 N ATOM 662 CA ILE A 41 -5.556 6.973 4.571 1.00 0.00 C ATOM 663 C ILE A 41 -5.845 7.870 5.769 1.00 0.00 C ATOM 664 O ILE A 41 -6.969 7.910 6.271 1.00 0.00 O ATOM 665 CB ILE A 41 -5.140 5.577 5.075 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.544 4.752 3.931 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.334 4.862 5.691 1.00 0.00 C ATOM 668 CD1 ILE A 41 -4.226 3.322 4.312 1.00 0.00 C ATOM 0 H ILE A 41 -3.620 7.112 3.779 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.455 6.871 3.963 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.376 5.695 5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.243 4.749 3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.632 5.237 3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.027 3.877 6.043 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.714 5.445 6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.118 4.751 4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.808 2.801 3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.503 3.315 5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.139 2.819 4.632 1.00 0.00 H new ATOM 680 N GLU A 42 -4.825 8.595 6.216 1.00 0.00 N ATOM 681 CA GLU A 42 -4.970 9.500 7.348 1.00 0.00 C ATOM 682 C GLU A 42 -5.848 10.687 6.972 1.00 0.00 C ATOM 683 O GLU A 42 -6.598 11.207 7.798 1.00 0.00 O ATOM 684 CB GLU A 42 -3.598 9.991 7.816 1.00 0.00 C ATOM 685 CG GLU A 42 -2.875 9.005 8.718 1.00 0.00 C ATOM 686 CD GLU A 42 -2.694 9.527 10.130 1.00 0.00 C ATOM 687 OE1 GLU A 42 -3.714 9.818 10.790 1.00 0.00 O ATOM 688 OE2 GLU A 42 -1.533 9.644 10.576 1.00 0.00 O ATOM 0 H GLU A 42 -3.889 8.573 5.811 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.447 8.956 8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.977 10.195 6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.721 10.935 8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.435 8.070 8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.898 8.777 8.291 1.00 0.00 H new ATOM 695 N GLU A 43 -5.752 11.109 5.714 1.00 0.00 N ATOM 696 CA GLU A 43 -6.543 12.230 5.222 1.00 0.00 C ATOM 697 C GLU A 43 -8.002 11.822 5.047 1.00 0.00 C ATOM 698 O GLU A 43 -8.910 12.645 5.165 1.00 0.00 O ATOM 699 CB GLU A 43 -5.969 12.746 3.895 1.00 0.00 C ATOM 700 CG GLU A 43 -6.205 11.823 2.708 1.00 0.00 C ATOM 701 CD GLU A 43 -6.578 12.581 1.449 1.00 0.00 C ATOM 702 OE1 GLU A 43 -7.786 12.814 1.232 1.00 0.00 O ATOM 703 OE2 GLU A 43 -5.663 12.942 0.680 1.00 0.00 O ATOM 0 H GLU A 43 -5.134 10.691 5.018 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.497 13.033 5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.409 13.719 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.896 12.900 4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.305 11.237 2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.999 11.118 2.952 1.00 0.00 H new ATOM 710 N LEU A 44 -8.214 10.542 4.763 1.00 0.00 N ATOM 711 CA LEU A 44 -9.554 10.004 4.568 1.00 0.00 C ATOM 712 C LEU A 44 -10.411 10.213 5.813 1.00 0.00 C ATOM 713 O LEU A 44 -9.896 10.486 6.897 1.00 0.00 O ATOM 714 CB LEU A 44 -9.473 8.513 4.226 1.00 0.00 C ATOM 715 CG LEU A 44 -9.665 8.179 2.745 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.582 6.677 2.525 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.995 8.721 2.245 1.00 0.00 C ATOM 0 H LEU A 44 -7.468 9.853 4.662 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.022 10.536 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.502 8.134 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.229 7.981 4.804 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.866 8.655 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.721 6.456 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.605 6.316 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.361 6.181 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.115 8.474 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.808 8.274 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.017 9.804 2.369 1.00 0.00 H new ATOM 729 N GLY A 45 -11.724 10.082 5.650 1.00 0.00 N ATOM 730 CA GLY A 45 -12.632 10.260 6.768 1.00 0.00 C ATOM 731 C GLY A 45 -13.827 9.330 6.698 1.00 0.00 C ATOM 732 O GLY A 45 -14.208 8.722 7.699 1.00 0.00 O ATOM 0 H GLY A 45 -12.175 9.856 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.094 10.086 7.700 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.980 11.293 6.789 1.00 0.00 H new ATOM 736 N GLY A 46 -14.419 9.217 5.514 1.00 0.00 N ATOM 737 CA GLY A 46 -15.571 8.352 5.339 1.00 0.00 C ATOM 738 C GLY A 46 -16.630 8.966 4.446 1.00 0.00 C ATOM 739 O GLY A 46 -17.065 10.096 4.675 1.00 0.00 O ATOM 0 H GLY A 46 -14.121 9.709 4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.247 7.403 4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.006 8.131 6.314 1.00 0.00 H new ATOM 743 N GLY A 47 -17.046 8.224 3.425 1.00 0.00 N ATOM 744 CA GLY A 47 -18.057 8.719 2.511 1.00 0.00 C ATOM 745 C GLY A 47 -18.152 7.889 1.246 1.00 0.00 C ATOM 746 O GLY A 47 -19.236 7.718 0.687 1.00 0.00 O ATOM 0 H GLY A 47 -16.700 7.288 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.025 8.723 3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.830 9.752 2.248 1.00 0.00 H new ATOM 750 N GLY A 48 -17.015 7.372 0.793 1.00 0.00 N ATOM 751 CA GLY A 48 -16.995 6.561 -0.410 1.00 0.00 C ATOM 752 C GLY A 48 -15.611 6.461 -1.018 1.00 0.00 C ATOM 753 O GLY A 48 -15.283 5.471 -1.671 1.00 0.00 O ATOM 0 H GLY A 48 -16.106 7.500 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.359 5.561 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -17.681 6.986 -1.143 1.00 0.00 H new ATOM 757 N GLU A 49 -14.797 7.489 -0.802 1.00 0.00 N ATOM 758 CA GLU A 49 -13.439 7.515 -1.332 1.00 0.00 C ATOM 759 C GLU A 49 -12.625 6.328 -0.819 1.00 0.00 C ATOM 760 O GLU A 49 -11.622 5.946 -1.422 1.00 0.00 O ATOM 761 CB GLU A 49 -12.747 8.825 -0.951 1.00 0.00 C ATOM 762 CG GLU A 49 -11.422 9.040 -1.663 1.00 0.00 C ATOM 763 CD GLU A 49 -11.475 10.178 -2.663 1.00 0.00 C ATOM 764 OE1 GLU A 49 -11.348 11.347 -2.240 1.00 0.00 O ATOM 765 OE2 GLU A 49 -11.641 9.901 -3.870 1.00 0.00 O ATOM 0 H GLU A 49 -15.055 8.316 -0.263 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.500 7.444 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.412 9.658 -1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.578 8.838 0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.647 9.246 -0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.137 8.122 -2.177 1.00 0.00 H new ATOM 772 N VAL A 50 -13.062 5.749 0.297 1.00 0.00 N ATOM 773 CA VAL A 50 -12.373 4.607 0.889 1.00 0.00 C ATOM 774 C VAL A 50 -12.178 3.484 -0.128 1.00 0.00 C ATOM 775 O VAL A 50 -11.269 2.665 0.007 1.00 0.00 O ATOM 776 CB VAL A 50 -13.143 4.053 2.102 1.00 0.00 C ATOM 777 CG1 VAL A 50 -12.317 3.002 2.826 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.532 5.180 3.047 1.00 0.00 C ATOM 0 H VAL A 50 -13.890 6.053 0.809 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.398 4.968 1.217 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.056 3.579 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.878 2.623 3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.095 2.181 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.385 3.448 3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -14.075 4.770 3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.633 5.686 3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -14.167 5.893 2.521 1.00 0.00 H new ATOM 788 N LYS A 51 -13.035 3.451 -1.144 1.00 0.00 N ATOM 789 CA LYS A 51 -12.954 2.428 -2.179 1.00 0.00 C ATOM 790 C LYS A 51 -11.757 2.669 -3.092 1.00 0.00 C ATOM 791 O LYS A 51 -11.109 1.726 -3.547 1.00 0.00 O ATOM 792 CB LYS A 51 -14.243 2.403 -3.004 1.00 0.00 C ATOM 793 CG LYS A 51 -15.279 1.419 -2.486 1.00 0.00 C ATOM 794 CD LYS A 51 -16.062 0.784 -3.624 1.00 0.00 C ATOM 795 CE LYS A 51 -16.410 -0.664 -3.321 1.00 0.00 C ATOM 796 NZ LYS A 51 -16.293 -1.528 -4.528 1.00 0.00 N ATOM 0 H LYS A 51 -13.793 4.121 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.825 1.463 -1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.677 3.403 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.999 2.151 -4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.785 0.641 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.965 1.932 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.977 1.350 -3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.477 0.834 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.749 -1.040 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.427 -0.719 -2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.539 -2.507 -4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.942 -1.185 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.317 -1.496 -4.884 1.00 0.00 H new ATOM 810 N LYS A 52 -11.469 3.939 -3.360 1.00 0.00 N ATOM 811 CA LYS A 52 -10.351 4.305 -4.222 1.00 0.00 C ATOM 812 C LYS A 52 -9.025 3.854 -3.615 1.00 0.00 C ATOM 813 O LYS A 52 -8.268 3.110 -4.239 1.00 0.00 O ATOM 814 CB LYS A 52 -10.336 5.819 -4.455 1.00 0.00 C ATOM 815 CG LYS A 52 -9.085 6.319 -5.161 1.00 0.00 C ATOM 816 CD LYS A 52 -9.296 7.704 -5.753 1.00 0.00 C ATOM 817 CE LYS A 52 -8.085 8.158 -6.551 1.00 0.00 C ATOM 818 NZ LYS A 52 -7.958 7.421 -7.838 1.00 0.00 N ATOM 0 H LYS A 52 -11.995 4.732 -2.992 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.479 3.799 -5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.210 6.095 -5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.427 6.326 -3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.254 6.346 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.809 5.622 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.175 7.696 -6.397 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.494 8.417 -4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.162 9.227 -6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.183 8.009 -5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.193 7.840 -8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.740 6.422 -7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.853 7.485 -8.364 1.00 0.00 H new ATOM 832 N VAL A 53 -8.749 4.312 -2.398 1.00 0.00 N ATOM 833 CA VAL A 53 -7.514 3.958 -1.708 1.00 0.00 C ATOM 834 C VAL A 53 -7.378 2.447 -1.552 1.00 0.00 C ATOM 835 O VAL A 53 -6.267 1.920 -1.486 1.00 0.00 O ATOM 836 CB VAL A 53 -7.441 4.614 -0.317 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.068 4.406 0.303 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.773 6.096 -0.407 1.00 0.00 C ATOM 0 H VAL A 53 -9.365 4.930 -1.869 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.694 4.330 -2.323 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.180 4.137 0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.037 4.877 1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.873 3.339 0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.308 4.853 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.716 6.543 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.060 6.589 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.781 6.220 -0.803 1.00 0.00 H new ATOM 848 N GLU A 54 -8.510 1.755 -1.492 1.00 0.00 N ATOM 849 CA GLU A 54 -8.510 0.303 -1.344 1.00 0.00 C ATOM 850 C GLU A 54 -7.883 -0.364 -2.564 1.00 0.00 C ATOM 851 O GLU A 54 -7.194 -1.377 -2.446 1.00 0.00 O ATOM 852 CB GLU A 54 -9.937 -0.211 -1.143 1.00 0.00 C ATOM 853 CG GLU A 54 -10.006 -1.684 -0.772 1.00 0.00 C ATOM 854 CD GLU A 54 -11.264 -2.356 -1.287 1.00 0.00 C ATOM 855 OE1 GLU A 54 -11.643 -2.096 -2.448 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.868 -3.143 -0.529 1.00 0.00 O ATOM 0 H GLU A 54 -9.438 2.174 -1.543 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.915 0.050 -0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.419 0.375 -0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.505 -0.048 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.133 -2.198 -1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.963 -1.784 0.313 1.00 0.00 H new ATOM 863 N GLU A 55 -8.128 0.215 -3.734 1.00 0.00 N ATOM 864 CA GLU A 55 -7.590 -0.315 -4.981 1.00 0.00 C ATOM 865 C GLU A 55 -6.098 -0.018 -5.102 1.00 0.00 C ATOM 866 O GLU A 55 -5.361 -0.748 -5.762 1.00 0.00 O ATOM 867 CB GLU A 55 -8.338 0.281 -6.176 1.00 0.00 C ATOM 868 CG GLU A 55 -7.871 -0.260 -7.517 1.00 0.00 C ATOM 869 CD GLU A 55 -7.725 0.826 -8.564 1.00 0.00 C ATOM 870 OE1 GLU A 55 -6.649 1.458 -8.617 1.00 0.00 O ATOM 871 OE2 GLU A 55 -8.685 1.043 -9.333 1.00 0.00 O ATOM 0 H GLU A 55 -8.697 1.054 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.727 -1.396 -4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.404 0.080 -6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.215 1.364 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.914 -0.766 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.581 -1.007 -7.871 1.00 0.00 H new ATOM 878 N GLU A 56 -5.665 1.067 -4.466 1.00 0.00 N ATOM 879 CA GLU A 56 -4.264 1.473 -4.502 1.00 0.00 C ATOM 880 C GLU A 56 -3.386 0.514 -3.702 1.00 0.00 C ATOM 881 O GLU A 56 -2.207 0.337 -4.006 1.00 0.00 O ATOM 882 CB GLU A 56 -4.117 2.892 -3.952 1.00 0.00 C ATOM 883 CG GLU A 56 -4.371 3.977 -4.986 1.00 0.00 C ATOM 884 CD GLU A 56 -3.483 5.190 -4.788 1.00 0.00 C ATOM 885 OE1 GLU A 56 -3.319 5.622 -3.627 1.00 0.00 O ATOM 886 OE2 GLU A 56 -2.953 5.709 -5.792 1.00 0.00 O ATOM 0 H GLU A 56 -6.266 1.682 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.934 1.448 -5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.811 3.024 -3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.111 3.014 -3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.206 3.569 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.416 4.284 -4.936 1.00 0.00 H new ATOM 893 N VAL A 57 -3.966 -0.099 -2.675 1.00 0.00 N ATOM 894 CA VAL A 57 -3.232 -1.035 -1.829 1.00 0.00 C ATOM 895 C VAL A 57 -3.194 -2.428 -2.446 1.00 0.00 C ATOM 896 O VAL A 57 -2.283 -3.208 -2.182 1.00 0.00 O ATOM 897 CB VAL A 57 -3.856 -1.132 -0.423 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.952 -1.922 0.512 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.135 0.257 0.138 1.00 0.00 C ATOM 0 H VAL A 57 -4.941 0.035 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.216 -0.649 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.805 -1.662 -0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.410 -1.979 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.812 -2.929 0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.985 -1.425 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.575 0.167 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.202 0.817 0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.828 0.783 -0.519 1.00 0.00 H new ATOM 909 N LYS A 58 -4.197 -2.735 -3.259 1.00 0.00 N ATOM 910 CA LYS A 58 -4.293 -4.036 -3.911 1.00 0.00 C ATOM 911 C LYS A 58 -3.309 -4.159 -5.074 1.00 0.00 C ATOM 912 O LYS A 58 -2.884 -5.260 -5.421 1.00 0.00 O ATOM 913 CB LYS A 58 -5.718 -4.267 -4.411 1.00 0.00 C ATOM 914 CG LYS A 58 -6.466 -5.344 -3.641 1.00 0.00 C ATOM 915 CD LYS A 58 -6.658 -4.956 -2.184 1.00 0.00 C ATOM 916 CE LYS A 58 -6.740 -6.182 -1.288 1.00 0.00 C ATOM 917 NZ LYS A 58 -5.411 -6.828 -1.105 1.00 0.00 N ATOM 0 H LYS A 58 -4.960 -2.097 -3.484 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.036 -4.796 -3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.274 -3.332 -4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.684 -4.543 -5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.438 -5.515 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.915 -6.283 -3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.830 -4.324 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.569 -4.366 -2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.141 -5.895 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.436 -6.901 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.459 -7.503 -0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.147 -7.332 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.697 -6.101 -0.896 1.00 0.00 H new ATOM 931 N LYS A 59 -2.976 -3.032 -5.691 1.00 0.00 N ATOM 932 CA LYS A 59 -2.067 -3.025 -6.836 1.00 0.00 C ATOM 933 C LYS A 59 -0.609 -3.194 -6.413 1.00 0.00 C ATOM 934 O LYS A 59 0.154 -3.894 -7.077 1.00 0.00 O ATOM 935 CB LYS A 59 -2.227 -1.724 -7.628 1.00 0.00 C ATOM 936 CG LYS A 59 -1.279 -1.609 -8.814 1.00 0.00 C ATOM 937 CD LYS A 59 -0.362 -0.401 -8.685 1.00 0.00 C ATOM 938 CE LYS A 59 -0.992 0.842 -9.291 1.00 0.00 C ATOM 939 NZ LYS A 59 0.028 1.872 -9.633 1.00 0.00 N ATOM 0 H LYS A 59 -3.320 -2.111 -5.420 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.331 -3.875 -7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.254 -1.651 -7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.062 -0.879 -6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.679 -2.516 -8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.856 -1.531 -9.735 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.140 -0.222 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.587 -0.608 -9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.546 0.567 -10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.712 1.263 -8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.443 2.704 -10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.539 2.153 -8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.700 1.479 -10.322 1.00 0.00 H new ATOM 953 N LEU A 60 -0.217 -2.538 -5.326 1.00 0.00 N ATOM 954 CA LEU A 60 1.162 -2.619 -4.856 1.00 0.00 C ATOM 955 C LEU A 60 1.440 -3.921 -4.115 1.00 0.00 C ATOM 956 O LEU A 60 2.578 -4.375 -4.061 1.00 0.00 O ATOM 957 CB LEU A 60 1.499 -1.439 -3.952 1.00 0.00 C ATOM 958 CG LEU A 60 2.970 -1.021 -3.992 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.104 0.461 -4.290 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.667 -1.373 -2.688 1.00 0.00 C ATOM 0 H LEU A 60 -0.827 -1.950 -4.758 1.00 0.00 H new ATOM 0 HA LEU A 60 1.796 -2.590 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.883 -0.587 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.233 -1.693 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 60 3.455 -1.573 -4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.159 0.734 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.651 0.680 -5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.598 1.035 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.712 -1.067 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.177 -0.856 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.612 -2.449 -2.525 1.00 0.00 H new ATOM 972 N GLU A 61 0.407 -4.514 -3.542 1.00 0.00 N ATOM 973 CA GLU A 61 0.562 -5.761 -2.807 1.00 0.00 C ATOM 974 C GLU A 61 0.826 -6.919 -3.766 1.00 0.00 C ATOM 975 O GLU A 61 1.792 -7.665 -3.605 1.00 0.00 O ATOM 976 CB GLU A 61 -0.690 -6.040 -1.977 1.00 0.00 C ATOM 977 CG GLU A 61 -0.391 -6.521 -0.569 1.00 0.00 C ATOM 978 CD GLU A 61 -1.425 -7.505 -0.057 1.00 0.00 C ATOM 979 OE1 GLU A 61 -1.420 -8.666 -0.519 1.00 0.00 O ATOM 980 OE2 GLU A 61 -2.240 -7.115 0.807 1.00 0.00 O ATOM 0 H GLU A 61 -0.547 -4.154 -3.570 1.00 0.00 H new ATOM 0 HA GLU A 61 1.417 -5.665 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.289 -5.131 -1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.294 -6.790 -2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.592 -6.991 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.347 -5.663 0.102 1.00 0.00 H new ATOM 987 N GLU A 62 -0.040 -7.056 -4.763 1.00 0.00 N ATOM 988 CA GLU A 62 0.088 -8.114 -5.756 1.00 0.00 C ATOM 989 C GLU A 62 1.351 -7.929 -6.597 1.00 0.00 C ATOM 990 O GLU A 62 1.905 -8.894 -7.122 1.00 0.00 O ATOM 991 CB GLU A 62 -1.142 -8.127 -6.664 1.00 0.00 C ATOM 992 CG GLU A 62 -1.618 -9.525 -7.024 1.00 0.00 C ATOM 993 CD GLU A 62 -2.380 -9.562 -8.334 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.485 -8.984 -8.394 1.00 0.00 O ATOM 995 OE2 GLU A 62 -1.871 -10.169 -9.300 1.00 0.00 O ATOM 0 H GLU A 62 -0.843 -6.443 -4.905 1.00 0.00 H new ATOM 0 HA GLU A 62 0.163 -9.066 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.953 -7.592 -6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.913 -7.583 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.758 -10.192 -7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.256 -9.904 -6.226 1.00 0.00 H new ATOM 1002 N GLU A 63 1.794 -6.682 -6.722 1.00 0.00 N ATOM 1003 CA GLU A 63 2.985 -6.365 -7.502 1.00 0.00 C ATOM 1004 C GLU A 63 4.224 -7.033 -6.912 1.00 0.00 C ATOM 1005 O GLU A 63 4.895 -7.820 -7.577 1.00 0.00 O ATOM 1006 CB GLU A 63 3.184 -4.848 -7.557 1.00 0.00 C ATOM 1007 CG GLU A 63 3.290 -4.297 -8.969 1.00 0.00 C ATOM 1008 CD GLU A 63 4.710 -4.321 -9.499 1.00 0.00 C ATOM 1009 OE1 GLU A 63 5.468 -5.239 -9.123 1.00 0.00 O ATOM 1010 OE2 GLU A 63 5.063 -3.421 -10.290 1.00 0.00 O ATOM 0 H GLU A 63 1.345 -5.873 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 63 2.842 -6.748 -8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.351 -4.362 -7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.088 -4.589 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.649 -4.879 -9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.918 -3.273 -8.984 1.00 0.00 H new ATOM 1017 N ILE A 64 4.518 -6.711 -5.658 1.00 0.00 N ATOM 1018 CA ILE A 64 5.672 -7.269 -4.965 1.00 0.00 C ATOM 1019 C ILE A 64 5.646 -8.796 -4.987 1.00 0.00 C ATOM 1020 O ILE A 64 6.688 -9.446 -4.896 1.00 0.00 O ATOM 1021 CB ILE A 64 5.729 -6.788 -3.502 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.596 -5.264 -3.431 1.00 0.00 C ATOM 1023 CG2 ILE A 64 7.025 -7.241 -2.844 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.626 -4.722 -2.018 1.00 0.00 C ATOM 0 H ILE A 64 3.968 -6.061 -5.097 1.00 0.00 H new ATOM 0 HA ILE A 64 6.559 -6.919 -5.493 1.00 0.00 H new ATOM 0 HB ILE A 64 4.893 -7.231 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.404 -4.809 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.662 -4.966 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.050 -6.893 -1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.081 -8.329 -2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.874 -6.825 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.527 -3.637 -2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.801 -5.149 -1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.571 -4.990 -1.546 1.00 0.00 H new ATOM 1036 N LYS A 65 4.449 -9.364 -5.107 1.00 0.00 N ATOM 1037 CA LYS A 65 4.284 -10.813 -5.138 1.00 0.00 C ATOM 1038 C LYS A 65 5.138 -11.447 -6.234 1.00 0.00 C ATOM 1039 O LYS A 65 5.600 -12.579 -6.097 1.00 0.00 O ATOM 1040 CB LYS A 65 2.811 -11.172 -5.349 1.00 0.00 C ATOM 1041 CG LYS A 65 2.248 -12.088 -4.276 1.00 0.00 C ATOM 1042 CD LYS A 65 1.916 -11.322 -3.006 1.00 0.00 C ATOM 1043 CE LYS A 65 2.988 -11.509 -1.945 1.00 0.00 C ATOM 1044 NZ LYS A 65 3.285 -10.239 -1.226 1.00 0.00 N ATOM 0 H LYS A 65 3.577 -8.840 -5.185 1.00 0.00 H new ATOM 0 HA LYS A 65 4.618 -11.208 -4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.223 -10.255 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.699 -11.653 -6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.350 -12.580 -4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.970 -12.872 -4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.812 -10.262 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.955 -11.660 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.663 -12.264 -1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.899 -11.884 -2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.021 -10.409 -0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.620 -9.526 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.422 -9.894 -0.759 1.00 0.00 H new ATOM 1058 N LYS A 66 5.337 -10.714 -7.325 1.00 0.00 N ATOM 1059 CA LYS A 66 6.129 -11.213 -8.445 1.00 0.00 C ATOM 1060 C LYS A 66 7.504 -10.553 -8.487 1.00 0.00 C ATOM 1061 O LYS A 66 8.520 -11.199 -8.232 1.00 0.00 O ATOM 1062 CB LYS A 66 5.393 -10.970 -9.764 1.00 0.00 C ATOM 1063 CG LYS A 66 4.005 -11.588 -9.809 1.00 0.00 C ATOM 1064 CD LYS A 66 3.259 -11.198 -11.076 1.00 0.00 C ATOM 1065 CE LYS A 66 2.112 -10.245 -10.777 1.00 0.00 C ATOM 1066 NZ LYS A 66 1.027 -10.905 -10.000 1.00 0.00 N ATOM 0 H LYS A 66 4.962 -9.775 -7.458 1.00 0.00 H new ATOM 0 HA LYS A 66 6.270 -12.285 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.309 -9.896 -9.931 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.988 -11.374 -10.583 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.088 -12.673 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.435 -11.267 -8.937 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.950 -10.729 -11.776 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.872 -12.094 -11.562 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.489 -9.388 -10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.706 -9.861 -11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.150 -10.353 -10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.871 -11.865 -10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.301 -10.959 -8.998 1.00 0.00 H new ATOM 1080 N LEU A 67 7.528 -9.265 -8.811 1.00 0.00 N ATOM 1081 CA LEU A 67 8.779 -8.519 -8.890 1.00 0.00 C ATOM 1082 C LEU A 67 9.698 -9.109 -9.954 1.00 0.00 C ATOM 1083 O LEU A 67 9.598 -8.684 -11.124 1.00 0.00 O ATOM 1084 CB LEU A 67 9.484 -8.518 -7.533 1.00 0.00 C ATOM 1085 CG LEU A 67 8.751 -7.762 -6.424 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.392 -8.035 -5.073 1.00 0.00 C ATOM 1087 CD2 LEU A 67 8.739 -6.270 -6.718 1.00 0.00 C ATOM 1088 OXT LEU A 67 10.511 -9.993 -9.609 1.00 0.00 O ATOM 0 H LEU A 67 6.695 -8.715 -9.023 1.00 0.00 H new ATOM 0 HA LEU A 67 8.543 -7.492 -9.169 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.628 -9.550 -7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.475 -8.081 -7.656 1.00 0.00 H new ATOM 0 HG LEU A 67 7.721 -8.116 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.855 -7.488 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.349 -9.103 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.432 -7.711 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.214 -5.746 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.764 -5.903 -6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.231 -6.090 -7.666 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 7.947 2.497 3.085 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.732 1.899 2.821 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.671 0.711 2.102 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.844 0.129 1.650 1.00 0.00 C HETATM 1105 C4 HTS A 101 9.063 0.724 1.911 1.00 0.00 C HETATM 1106 C5 HTS A 101 9.114 1.908 2.628 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.561 2.470 3.266 1.00 0.00 O HETATM 1108 S1 HTS A 101 5.067 0.082 1.848 1.00 0.00 S HETATM 0 HO1 HTS A 101 4.797 2.011 2.858 1.00 0.00 H new HETATM 0 H6 HTS A 101 7.988 3.428 3.650 1.00 0.00 H new HETATM 0 H5 HTS A 101 10.076 2.378 2.833 1.00 0.00 H new HETATM 0 H4 HTS A 101 9.983 0.262 1.553 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.805 -0.803 1.086 1.00 0.00 H new