USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 566 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 SER OG : rot 70:sc= -0.821 USER MOD Set 1.2: A 48 ASN : amide:sc= -2.99 K(o=-3.8,f=1.2) USER MOD Single : A 1 GLY N :NH3+ 170:sc= -0.0326 (180deg=-0.124) USER MOD Single : A 2 SER OG : rot 140:sc= 0.739 USER MOD Single : A 2ALYS NZ :NH3+ -151:sc= -1.56 (180deg=-3.33!) USER MOD Single : A 5 LYS NZ :NH3+ 157:sc= -0.041 (180deg=-0.251) USER MOD Single : A 6 THR OG1 : rot -150:sc= -0.854 USER MOD Single : A 10 SER OG : rot -140:sc= 0 USER MOD Single : A 11 SER OG : rot 118:sc= -0.796 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -160:sc= -3.24! USER MOD Single : A 18 HIS : no HD1:sc= -0.702 K(o=-0.7,f=0.03) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 140:sc= -1.13 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 58:sc= 1.18 USER MOD Single : A 56 SER OG : rot -54:sc= -1.87 USER MOD Single : A 129 SER OG : rot 180:sc= 0.0495 USER MOD Single : A 130 THR OG1 : rot 112:sc= 1.4 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HD1:sc= -0.841 K(o=-0.84,f=-5.3) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ -103:sc= 0.767 (180deg=-0.733) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.718 10.995 4.513 1.00 0.00 N ATOM 2 CA GLY A 1 5.692 10.122 3.879 1.00 0.00 C ATOM 3 C GLY A 1 4.974 9.242 4.884 1.00 0.00 C ATOM 4 O GLY A 1 4.479 8.170 4.537 1.00 0.00 O ATOM 0 H1 GLY A 1 7.293 11.448 3.774 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.247 11.726 5.083 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.332 10.421 5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.963 10.743 3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.169 9.494 3.127 1.00 0.00 H new ATOM 10 N SER A 2 4.914 9.697 6.133 1.00 0.00 N ATOM 11 CA SER A 2 4.247 8.946 7.193 1.00 0.00 C ATOM 12 C SER A 2 5.010 7.667 7.525 1.00 0.00 C ATOM 13 O SER A 2 5.609 7.551 8.595 1.00 0.00 O ATOM 14 CB SER A 2 2.811 8.607 6.787 1.00 0.00 C ATOM 15 OG SER A 2 2.156 9.736 6.233 1.00 0.00 O ATOM 0 H SER A 2 5.319 10.583 6.436 1.00 0.00 H new ATOM 0 HA SER A 2 4.226 9.574 8.084 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.818 7.794 6.061 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.258 8.253 7.657 1.00 0.00 H new ATOM 0 HG SER A 2 1.616 9.456 5.465 1.00 0.00 H new ATOM 21 N LYS A 2A 4.984 6.708 6.605 1.00 0.00 N ATOM 22 CA LYS A 2A 5.672 5.437 6.802 1.00 0.00 C ATOM 23 C LYS A 2A 6.263 4.931 5.491 1.00 0.00 C ATOM 24 O LYS A 2A 6.294 3.728 5.235 1.00 0.00 O ATOM 25 CB LYS A 2A 4.709 4.396 7.376 1.00 0.00 C ATOM 26 CG LYS A 2A 4.056 4.825 8.680 1.00 0.00 C ATOM 27 CD LYS A 2A 2.717 5.501 8.435 1.00 0.00 C ATOM 28 CE LYS A 2A 2.118 6.038 9.724 1.00 0.00 C ATOM 29 NZ LYS A 2A 2.334 7.504 9.869 1.00 0.00 N ATOM 0 H LYS A 2A 4.493 6.787 5.714 1.00 0.00 H new ATOM 0 HA LYS A 2A 6.486 5.598 7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 3.931 4.188 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 5.250 3.464 7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 3.914 3.955 9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 4.718 5.508 9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 2.846 6.318 7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 2.027 4.790 7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 1.049 5.825 9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 2.562 5.520 10.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 2.380 7.750 10.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 3.226 7.771 9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 1.546 8.017 9.424 1.00 0.00 H new ATOM 43 N LEU A 2B 6.728 5.861 4.664 1.00 0.00 N ATOM 44 CA LEU A 2B 7.318 5.515 3.377 1.00 0.00 C ATOM 45 C LEU A 2B 8.841 5.572 3.447 1.00 0.00 C ATOM 46 O LEU A 2B 9.424 6.638 3.643 1.00 0.00 O ATOM 47 CB LEU A 2B 6.808 6.471 2.291 1.00 0.00 C ATOM 48 CG LEU A 2B 5.519 6.051 1.562 1.00 0.00 C ATOM 49 CD1 LEU A 2B 4.789 4.935 2.298 1.00 0.00 C ATOM 50 CD2 LEU A 2B 4.598 7.248 1.387 1.00 0.00 C ATOM 0 H LEU A 2B 6.707 6.861 4.863 1.00 0.00 H new ATOM 0 HA LEU A 2B 7.022 4.496 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 6.641 7.447 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 7.596 6.596 1.548 1.00 0.00 H new ATOM 0 HG LEU A 2B 5.807 5.670 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 3.885 4.668 1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 5.439 4.063 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 4.520 5.274 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 3.690 6.936 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 4.338 7.653 2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 5.105 8.014 0.800 1.00 0.00 H new ATOM 62 N GLU A 3 9.478 4.416 3.287 1.00 0.00 N ATOM 63 CA GLU A 3 10.934 4.335 3.333 1.00 0.00 C ATOM 64 C GLU A 3 11.478 3.569 2.131 1.00 0.00 C ATOM 65 O GLU A 3 11.888 2.415 2.250 1.00 0.00 O ATOM 66 CB GLU A 3 11.386 3.660 4.629 1.00 0.00 C ATOM 67 CG GLU A 3 10.589 2.414 4.973 1.00 0.00 C ATOM 68 CD GLU A 3 10.842 1.931 6.388 1.00 0.00 C ATOM 69 OE1 GLU A 3 11.768 1.115 6.580 1.00 0.00 O ATOM 70 OE2 GLU A 3 10.115 2.369 7.304 1.00 0.00 O ATOM 0 H GLU A 3 9.010 3.524 3.125 1.00 0.00 H new ATOM 0 HA GLU A 3 11.329 5.350 3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.440 3.395 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.302 4.373 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.526 2.621 4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.843 1.620 4.271 1.00 0.00 H new ATOM 77 N GLY A 4 11.480 4.223 0.973 1.00 0.00 N ATOM 78 CA GLY A 4 11.978 3.591 -0.235 1.00 0.00 C ATOM 79 C GLY A 4 11.167 2.374 -0.632 1.00 0.00 C ATOM 80 O GLY A 4 10.692 1.629 0.224 1.00 0.00 O ATOM 0 H GLY A 4 11.146 5.179 0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.965 4.314 -1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.017 3.298 -0.086 1.00 0.00 H new ATOM 84 N LYS A 5 11.009 2.174 -1.936 1.00 0.00 N ATOM 85 CA LYS A 5 10.249 1.041 -2.451 1.00 0.00 C ATOM 86 C LYS A 5 10.634 0.746 -3.898 1.00 0.00 C ATOM 87 O LYS A 5 11.571 1.340 -4.433 1.00 0.00 O ATOM 88 CB LYS A 5 8.748 1.325 -2.353 1.00 0.00 C ATOM 89 CG LYS A 5 8.087 0.694 -1.139 1.00 0.00 C ATOM 90 CD LYS A 5 8.149 -0.824 -1.197 1.00 0.00 C ATOM 91 CE LYS A 5 9.260 -1.372 -0.314 1.00 0.00 C ATOM 92 NZ LYS A 5 10.140 -2.319 -1.052 1.00 0.00 N ATOM 0 H LYS A 5 11.398 2.783 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 5 10.485 0.165 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.592 2.403 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.258 0.958 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.579 1.045 -0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.047 1.015 -1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.193 -1.240 -0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.310 -1.143 -2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.858 -0.546 0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.823 -1.878 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.067 -2.368 -0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.705 -3.264 -1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.263 -1.988 -2.030 1.00 0.00 H new ATOM 106 N THR A 6 9.904 -0.168 -4.529 1.00 0.00 N ATOM 107 CA THR A 6 10.173 -0.529 -5.919 1.00 0.00 C ATOM 108 C THR A 6 9.430 0.410 -6.863 1.00 0.00 C ATOM 109 O THR A 6 10.020 0.986 -7.776 1.00 0.00 O ATOM 110 CB THR A 6 9.777 -1.990 -6.201 1.00 0.00 C ATOM 111 OG1 THR A 6 8.612 -2.057 -7.006 1.00 0.00 O ATOM 112 CG2 THR A 6 9.513 -2.809 -4.954 1.00 0.00 C ATOM 0 H THR A 6 9.125 -0.671 -4.104 1.00 0.00 H new ATOM 0 HA THR A 6 11.245 -0.430 -6.091 1.00 0.00 H new ATOM 0 HB THR A 6 10.641 -2.412 -6.714 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.115 -2.875 -6.795 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.240 -3.826 -5.237 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.412 -2.833 -4.337 1.00 0.00 H new ATOM 0 HG23 THR A 6 8.697 -2.358 -4.389 1.00 0.00 H new ATOM 120 N CYS A 7 8.130 0.561 -6.630 1.00 0.00 N ATOM 121 CA CYS A 7 7.300 1.435 -7.452 1.00 0.00 C ATOM 122 C CYS A 7 7.367 1.024 -8.922 1.00 0.00 C ATOM 123 O CYS A 7 7.774 1.811 -9.778 1.00 0.00 O ATOM 124 CB CYS A 7 7.736 2.898 -7.297 1.00 0.00 C ATOM 125 SG CYS A 7 8.615 3.264 -5.740 1.00 0.00 S ATOM 0 H CYS A 7 7.628 0.089 -5.878 1.00 0.00 H new ATOM 0 HA CYS A 7 6.270 1.337 -7.110 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.381 3.162 -8.135 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.854 3.536 -7.360 1.00 0.00 H new ATOM 130 N GLY A 8 6.973 -0.213 -9.209 1.00 0.00 N ATOM 131 CA GLY A 8 7.007 -0.698 -10.576 1.00 0.00 C ATOM 132 C GLY A 8 5.872 -1.656 -10.897 1.00 0.00 C ATOM 133 O GLY A 8 4.935 -1.291 -11.607 1.00 0.00 O ATOM 0 H GLY A 8 6.632 -0.886 -8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.961 0.151 -11.258 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.959 -1.199 -10.754 1.00 0.00 H new ATOM 137 N PRO A 9 5.932 -2.901 -10.393 1.00 0.00 N ATOM 138 CA PRO A 9 4.893 -3.907 -10.650 1.00 0.00 C ATOM 139 C PRO A 9 3.524 -3.484 -10.118 1.00 0.00 C ATOM 140 O PRO A 9 2.699 -2.955 -10.862 1.00 0.00 O ATOM 141 CB PRO A 9 5.403 -5.157 -9.920 1.00 0.00 C ATOM 142 CG PRO A 9 6.400 -4.655 -8.932 1.00 0.00 C ATOM 143 CD PRO A 9 7.013 -3.428 -9.544 1.00 0.00 C ATOM 0 HA PRO A 9 4.739 -4.064 -11.718 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.588 -5.683 -9.424 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.859 -5.861 -10.616 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.922 -4.419 -7.982 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.160 -5.409 -8.728 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.316 -2.708 -8.784 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.902 -3.670 -10.127 1.00 0.00 H new ATOM 151 N SER A 10 3.286 -3.717 -8.829 1.00 0.00 N ATOM 152 CA SER A 10 2.017 -3.355 -8.209 1.00 0.00 C ATOM 153 C SER A 10 2.223 -2.259 -7.172 1.00 0.00 C ATOM 154 O SER A 10 2.301 -2.531 -5.974 1.00 0.00 O ATOM 155 CB SER A 10 1.375 -4.580 -7.556 1.00 0.00 C ATOM 156 OG SER A 10 0.795 -5.431 -8.529 1.00 0.00 O ATOM 0 H SER A 10 3.955 -4.154 -8.196 1.00 0.00 H new ATOM 0 HA SER A 10 1.350 -2.980 -8.986 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.126 -5.130 -6.989 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.612 -4.260 -6.847 1.00 0.00 H new ATOM 0 HG SER A 10 -0.058 -5.778 -8.194 1.00 0.00 H new ATOM 162 N SER A 11 2.319 -1.021 -7.640 1.00 0.00 N ATOM 163 CA SER A 11 2.525 0.113 -6.752 1.00 0.00 C ATOM 164 C SER A 11 1.615 1.279 -7.117 1.00 0.00 C ATOM 165 O SER A 11 0.926 1.253 -8.138 1.00 0.00 O ATOM 166 CB SER A 11 3.985 0.563 -6.804 1.00 0.00 C ATOM 167 OG SER A 11 4.208 1.451 -7.886 1.00 0.00 O ATOM 0 H SER A 11 2.257 -0.778 -8.629 1.00 0.00 H new ATOM 0 HA SER A 11 2.278 -0.208 -5.740 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.251 1.053 -5.867 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.633 -0.307 -6.904 1.00 0.00 H new ATOM 0 HG SER A 11 4.498 2.321 -7.541 1.00 0.00 H new ATOM 173 N PHE A 12 1.627 2.302 -6.272 1.00 0.00 N ATOM 174 CA PHE A 12 0.817 3.491 -6.487 1.00 0.00 C ATOM 175 C PHE A 12 1.573 4.734 -6.028 1.00 0.00 C ATOM 176 O PHE A 12 1.846 4.900 -4.841 1.00 0.00 O ATOM 177 CB PHE A 12 -0.511 3.369 -5.732 1.00 0.00 C ATOM 178 CG PHE A 12 -1.289 4.653 -5.658 1.00 0.00 C ATOM 179 CD1 PHE A 12 -1.821 5.223 -6.803 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.485 5.290 -4.443 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.535 6.405 -6.738 1.00 0.00 C ATOM 182 CE2 PHE A 12 -2.197 6.472 -4.371 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.723 7.030 -5.520 1.00 0.00 C ATOM 0 H PHE A 12 2.194 2.330 -5.425 1.00 0.00 H new ATOM 0 HA PHE A 12 0.607 3.584 -7.552 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.125 2.611 -6.217 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.311 3.018 -4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.676 4.738 -7.757 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.076 4.857 -3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.945 6.839 -7.638 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.342 6.959 -3.418 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.280 7.953 -5.466 1.00 0.00 H new ATOM 193 N SER A 13 1.912 5.604 -6.971 1.00 0.00 N ATOM 194 CA SER A 13 2.637 6.827 -6.647 1.00 0.00 C ATOM 195 C SER A 13 1.800 7.717 -5.735 1.00 0.00 C ATOM 196 O SER A 13 0.704 8.140 -6.101 1.00 0.00 O ATOM 197 CB SER A 13 3.014 7.578 -7.924 1.00 0.00 C ATOM 198 OG SER A 13 3.219 8.958 -7.669 1.00 0.00 O ATOM 0 H SER A 13 1.698 5.487 -7.961 1.00 0.00 H new ATOM 0 HA SER A 13 3.553 6.556 -6.121 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.920 7.146 -8.348 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.225 7.456 -8.666 1.00 0.00 H new ATOM 0 HG SER A 13 3.460 9.412 -8.503 1.00 0.00 H new ATOM 204 N CYS A 14 2.321 7.990 -4.542 1.00 0.00 N ATOM 205 CA CYS A 14 1.617 8.822 -3.572 1.00 0.00 C ATOM 206 C CYS A 14 1.294 10.197 -4.158 1.00 0.00 C ATOM 207 O CYS A 14 2.186 11.019 -4.363 1.00 0.00 O ATOM 208 CB CYS A 14 2.451 8.979 -2.297 1.00 0.00 C ATOM 209 SG CYS A 14 2.063 7.774 -0.979 1.00 0.00 S ATOM 0 H CYS A 14 3.228 7.647 -4.224 1.00 0.00 H new ATOM 0 HA CYS A 14 0.679 8.326 -3.324 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.506 8.887 -2.555 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.305 9.986 -1.905 1.00 0.00 H new ATOM 214 N PRO A 15 0.006 10.461 -4.434 1.00 0.00 N ATOM 215 CA PRO A 15 -0.440 11.740 -4.997 1.00 0.00 C ATOM 216 C PRO A 15 0.058 12.938 -4.197 1.00 0.00 C ATOM 217 O PRO A 15 -0.097 12.991 -2.977 1.00 0.00 O ATOM 218 CB PRO A 15 -1.965 11.654 -4.915 1.00 0.00 C ATOM 219 CG PRO A 15 -2.269 10.197 -4.912 1.00 0.00 C ATOM 220 CD PRO A 15 -1.116 9.532 -4.215 1.00 0.00 C ATOM 0 HA PRO A 15 -0.056 11.889 -6.006 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.340 12.137 -4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.435 12.153 -5.762 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.206 9.996 -4.393 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.380 9.820 -5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.317 9.390 -3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.909 8.547 -4.634 1.00 0.00 H new ATOM 228 N GLY A 16 0.649 13.905 -4.893 1.00 0.00 N ATOM 229 CA GLY A 16 1.151 15.095 -4.231 1.00 0.00 C ATOM 230 C GLY A 16 2.598 14.965 -3.794 1.00 0.00 C ATOM 231 O GLY A 16 3.292 15.967 -3.623 1.00 0.00 O ATOM 0 H GLY A 16 0.789 13.885 -5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.056 15.946 -4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.532 15.308 -3.360 1.00 0.00 H new ATOM 235 N THR A 17 3.055 13.731 -3.606 1.00 0.00 N ATOM 236 CA THR A 17 4.427 13.485 -3.179 1.00 0.00 C ATOM 237 C THR A 17 5.151 12.566 -4.157 1.00 0.00 C ATOM 238 O THR A 17 4.591 11.576 -4.628 1.00 0.00 O ATOM 239 CB THR A 17 4.442 12.871 -1.779 1.00 0.00 C ATOM 240 OG1 THR A 17 3.574 11.754 -1.713 1.00 0.00 O ATOM 241 CG2 THR A 17 4.023 13.842 -0.697 1.00 0.00 C ATOM 0 H THR A 17 2.497 12.888 -3.742 1.00 0.00 H new ATOM 0 HA THR A 17 4.950 14.441 -3.158 1.00 0.00 H new ATOM 0 HB THR A 17 5.477 12.578 -1.602 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.347 11.571 -0.777 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.055 13.343 0.272 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.703 14.694 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.008 14.189 -0.893 1.00 0.00 H new ATOM 249 N HIS A 18 6.403 12.898 -4.451 1.00 0.00 N ATOM 250 CA HIS A 18 7.216 12.104 -5.366 1.00 0.00 C ATOM 251 C HIS A 18 7.294 10.650 -4.906 1.00 0.00 C ATOM 252 O HIS A 18 7.567 9.750 -5.700 1.00 0.00 O ATOM 253 CB HIS A 18 8.625 12.692 -5.462 1.00 0.00 C ATOM 254 CG HIS A 18 9.253 12.951 -4.128 1.00 0.00 C ATOM 255 ND1 HIS A 18 10.119 12.080 -3.504 1.00 0.00 N ATOM 256 CD2 HIS A 18 9.121 14.011 -3.290 1.00 0.00 C ATOM 257 CE1 HIS A 18 10.477 12.625 -2.333 1.00 0.00 C ATOM 258 NE2 HIS A 18 9.900 13.797 -2.156 1.00 0.00 N ATOM 0 H HIS A 18 6.879 13.715 -4.068 1.00 0.00 H new ATOM 0 HA HIS A 18 6.745 12.131 -6.349 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.258 12.008 -6.027 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.584 13.625 -6.023 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.509 14.882 -3.474 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.151 12.164 -1.626 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.003 14.419 -1.354 1.00 0.00 H new ATOM 266 N VAL A 19 7.055 10.429 -3.617 1.00 0.00 N ATOM 267 CA VAL A 19 7.099 9.092 -3.046 1.00 0.00 C ATOM 268 C VAL A 19 6.127 8.154 -3.756 1.00 0.00 C ATOM 269 O VAL A 19 5.151 8.596 -4.362 1.00 0.00 O ATOM 270 CB VAL A 19 6.770 9.127 -1.542 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.399 9.743 -1.308 1.00 0.00 C ATOM 272 CG2 VAL A 19 6.850 7.733 -0.938 1.00 0.00 C ATOM 0 H VAL A 19 6.828 11.164 -2.947 1.00 0.00 H new ATOM 0 HA VAL A 19 8.113 8.715 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 19 7.512 9.751 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.185 9.759 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.387 10.762 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.642 9.151 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.614 7.783 0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.136 7.078 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.857 7.338 -1.068 1.00 0.00 H new ATOM 282 N CYS A 20 6.406 6.857 -3.678 1.00 0.00 N ATOM 283 CA CYS A 20 5.562 5.852 -4.314 1.00 0.00 C ATOM 284 C CYS A 20 5.131 4.788 -3.311 1.00 0.00 C ATOM 285 O CYS A 20 5.960 4.054 -2.773 1.00 0.00 O ATOM 286 CB CYS A 20 6.293 5.199 -5.493 1.00 0.00 C ATOM 287 SG CYS A 20 8.110 5.187 -5.341 1.00 0.00 S ATOM 0 H CYS A 20 7.211 6.477 -3.180 1.00 0.00 H new ATOM 0 HA CYS A 20 4.670 6.354 -4.689 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.943 4.172 -5.598 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.021 5.724 -6.409 1.00 0.00 H new ATOM 292 N VAL A 21 3.828 4.716 -3.062 1.00 0.00 N ATOM 293 CA VAL A 21 3.280 3.747 -2.122 1.00 0.00 C ATOM 294 C VAL A 21 2.825 2.477 -2.845 1.00 0.00 C ATOM 295 O VAL A 21 1.988 2.532 -3.744 1.00 0.00 O ATOM 296 CB VAL A 21 2.097 4.346 -1.329 1.00 0.00 C ATOM 297 CG1 VAL A 21 1.057 4.935 -2.269 1.00 0.00 C ATOM 298 CG2 VAL A 21 1.468 3.304 -0.417 1.00 0.00 C ATOM 0 H VAL A 21 3.131 5.319 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 21 4.075 3.489 -1.422 1.00 0.00 H new ATOM 0 HB VAL A 21 2.486 5.150 -0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.234 5.350 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.513 5.724 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.677 4.154 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.638 3.752 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.100 2.471 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.214 2.941 0.290 1.00 0.00 H new ATOM 308 N PRO A 22 3.377 1.312 -2.461 1.00 0.00 N ATOM 309 CA PRO A 22 3.025 0.028 -3.079 1.00 0.00 C ATOM 310 C PRO A 22 1.538 -0.285 -2.958 1.00 0.00 C ATOM 311 O PRO A 22 0.848 0.260 -2.097 1.00 0.00 O ATOM 312 CB PRO A 22 3.851 -0.995 -2.292 1.00 0.00 C ATOM 313 CG PRO A 22 4.954 -0.207 -1.674 1.00 0.00 C ATOM 314 CD PRO A 22 4.385 1.153 -1.400 1.00 0.00 C ATOM 0 HA PRO A 22 3.232 0.026 -4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.246 -1.490 -1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.241 -1.774 -2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.302 -0.677 -0.754 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.812 -0.144 -2.344 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.938 1.211 -0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.150 1.928 -1.451 1.00 0.00 H new ATOM 322 N GLU A 23 1.048 -1.167 -3.826 1.00 0.00 N ATOM 323 CA GLU A 23 -0.359 -1.550 -3.812 1.00 0.00 C ATOM 324 C GLU A 23 -0.730 -2.207 -2.487 1.00 0.00 C ATOM 325 O GLU A 23 -1.864 -2.099 -2.026 1.00 0.00 O ATOM 326 CB GLU A 23 -0.669 -2.496 -4.973 1.00 0.00 C ATOM 327 CG GLU A 23 -2.012 -2.226 -5.631 1.00 0.00 C ATOM 328 CD GLU A 23 -2.512 -3.405 -6.442 1.00 0.00 C ATOM 329 OE1 GLU A 23 -2.011 -3.606 -7.569 1.00 0.00 O ATOM 330 OE2 GLU A 23 -3.405 -4.127 -5.951 1.00 0.00 O ATOM 0 H GLU A 23 1.604 -1.628 -4.546 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.956 -0.645 -3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.118 -2.409 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.651 -3.523 -4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.746 -1.981 -4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.926 -1.354 -6.280 1.00 0.00 H new ATOM 337 N ARG A 24 0.236 -2.880 -1.872 1.00 0.00 N ATOM 338 CA ARG A 24 0.004 -3.539 -0.593 1.00 0.00 C ATOM 339 C ARG A 24 -0.132 -2.498 0.514 1.00 0.00 C ATOM 340 O ARG A 24 -0.787 -2.733 1.528 1.00 0.00 O ATOM 341 CB ARG A 24 1.148 -4.515 -0.281 1.00 0.00 C ATOM 342 CG ARG A 24 1.317 -4.837 1.200 1.00 0.00 C ATOM 343 CD ARG A 24 0.087 -5.520 1.772 1.00 0.00 C ATOM 344 NE ARG A 24 0.261 -5.874 3.178 1.00 0.00 N ATOM 345 CZ ARG A 24 -0.502 -6.754 3.822 1.00 0.00 C ATOM 346 NH1 ARG A 24 -1.489 -7.376 3.189 1.00 0.00 N ATOM 347 NH2 ARG A 24 -0.278 -7.012 5.103 1.00 0.00 N ATOM 0 H ARG A 24 1.183 -2.983 -2.237 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.924 -4.107 -0.651 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.975 -5.444 -0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.081 -4.094 -0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.186 -5.481 1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.512 -3.918 1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.775 -4.861 1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.129 -6.420 1.196 1.00 0.00 H new ATOM 0 HE ARG A 24 1.012 -5.420 3.698 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.666 -7.181 2.204 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.070 -8.049 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.479 -6.536 5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.862 -7.686 5.597 1.00 0.00 H new ATOM 361 N TRP A 25 0.495 -1.345 0.312 1.00 0.00 N ATOM 362 CA TRP A 25 0.448 -0.269 1.291 1.00 0.00 C ATOM 363 C TRP A 25 -0.767 0.634 1.066 1.00 0.00 C ATOM 364 O TRP A 25 -0.897 1.677 1.706 1.00 0.00 O ATOM 365 CB TRP A 25 1.741 0.551 1.229 1.00 0.00 C ATOM 366 CG TRP A 25 2.980 -0.260 1.482 1.00 0.00 C ATOM 367 CD1 TRP A 25 3.100 -1.620 1.418 1.00 0.00 C ATOM 368 CD2 TRP A 25 4.279 0.238 1.833 1.00 0.00 C ATOM 369 NE1 TRP A 25 4.388 -1.996 1.711 1.00 0.00 N ATOM 370 CE2 TRP A 25 5.131 -0.875 1.967 1.00 0.00 C ATOM 371 CE3 TRP A 25 4.805 1.516 2.047 1.00 0.00 C ATOM 372 CZ2 TRP A 25 6.475 -0.749 2.304 1.00 0.00 C ATOM 373 CZ3 TRP A 25 6.142 1.638 2.381 1.00 0.00 C ATOM 374 CH2 TRP A 25 6.963 0.512 2.506 1.00 0.00 C ATOM 0 H TRP A 25 1.042 -1.132 -0.522 1.00 0.00 H new ATOM 0 HA TRP A 25 0.353 -0.713 2.282 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.818 1.020 0.248 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.687 1.355 1.963 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.298 -2.300 1.173 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.735 -2.955 1.734 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.179 2.391 1.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.110 -1.617 2.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 6.559 2.620 2.548 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.003 0.642 2.767 1.00 0.00 H new ATOM 385 N LEU A 26 -1.658 0.228 0.159 1.00 0.00 N ATOM 386 CA LEU A 26 -2.859 1.002 -0.136 1.00 0.00 C ATOM 387 C LEU A 26 -3.907 0.818 0.957 1.00 0.00 C ATOM 388 O LEU A 26 -4.270 1.767 1.650 1.00 0.00 O ATOM 389 CB LEU A 26 -3.443 0.586 -1.490 1.00 0.00 C ATOM 390 CG LEU A 26 -3.083 1.492 -2.670 1.00 0.00 C ATOM 391 CD1 LEU A 26 -1.614 1.892 -2.622 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.404 0.799 -3.986 1.00 0.00 C ATOM 0 H LEU A 26 -1.568 -0.632 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.579 2.055 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.106 -0.426 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.529 0.548 -1.401 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.682 2.400 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.384 2.535 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.413 2.429 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.992 0.998 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.143 1.455 -4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.831 -0.125 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.469 0.570 -4.026 1.00 0.00 H new ATOM 404 N CYS A 27 -4.390 -0.411 1.101 1.00 0.00 N ATOM 405 CA CYS A 27 -5.402 -0.725 2.107 1.00 0.00 C ATOM 406 C CYS A 27 -4.835 -1.644 3.188 1.00 0.00 C ATOM 407 O CYS A 27 -5.510 -2.566 3.645 1.00 0.00 O ATOM 408 CB CYS A 27 -6.622 -1.392 1.459 1.00 0.00 C ATOM 409 SG CYS A 27 -6.907 -0.942 -0.283 1.00 0.00 S ATOM 0 H CYS A 27 -4.098 -1.207 0.534 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.709 0.214 2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.504 -2.474 1.525 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.509 -1.132 2.036 1.00 0.00 H new ATOM 414 N ASP A 28 -3.594 -1.392 3.594 1.00 0.00 N ATOM 415 CA ASP A 28 -2.953 -2.206 4.621 1.00 0.00 C ATOM 416 C ASP A 28 -3.539 -1.913 6.000 1.00 0.00 C ATOM 417 O ASP A 28 -3.452 -2.737 6.909 1.00 0.00 O ATOM 418 CB ASP A 28 -1.441 -1.964 4.630 1.00 0.00 C ATOM 419 CG ASP A 28 -1.074 -0.559 5.067 1.00 0.00 C ATOM 420 OD1 ASP A 28 -1.446 -0.171 6.194 1.00 0.00 O ATOM 421 OD2 ASP A 28 -0.415 0.153 4.281 1.00 0.00 O ATOM 0 H ASP A 28 -3.015 -0.635 3.230 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.142 -3.253 4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.966 -2.683 5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.043 -2.145 3.632 1.00 0.00 H new ATOM 426 N GLY A 29 -4.137 -0.733 6.148 1.00 0.00 N ATOM 427 CA GLY A 29 -4.727 -0.355 7.418 1.00 0.00 C ATOM 428 C GLY A 29 -4.017 0.820 8.061 1.00 0.00 C ATOM 429 O GLY A 29 -4.000 0.951 9.285 1.00 0.00 O ATOM 0 H GLY A 29 -4.223 -0.034 5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.777 -0.103 7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.699 -1.208 8.096 1.00 0.00 H new ATOM 433 N ASP A 30 -3.432 1.678 7.231 1.00 0.00 N ATOM 434 CA ASP A 30 -2.717 2.853 7.716 1.00 0.00 C ATOM 435 C ASP A 30 -2.316 3.750 6.552 1.00 0.00 C ATOM 436 O ASP A 30 -1.467 3.387 5.738 1.00 0.00 O ATOM 437 CB ASP A 30 -1.477 2.435 8.509 1.00 0.00 C ATOM 438 CG ASP A 30 -1.749 2.330 9.997 1.00 0.00 C ATOM 439 OD1 ASP A 30 -1.873 3.386 10.654 1.00 0.00 O ATOM 440 OD2 ASP A 30 -1.840 1.193 10.506 1.00 0.00 O ATOM 0 H ASP A 30 -3.439 1.581 6.216 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.382 3.411 8.375 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.120 1.474 8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.680 3.158 8.339 1.00 0.00 H new ATOM 445 N LYS A 31 -2.937 4.921 6.476 1.00 0.00 N ATOM 446 CA LYS A 31 -2.658 5.872 5.406 1.00 0.00 C ATOM 447 C LYS A 31 -1.167 6.159 5.289 1.00 0.00 C ATOM 448 O LYS A 31 -0.631 7.039 5.963 1.00 0.00 O ATOM 449 CB LYS A 31 -3.433 7.165 5.644 1.00 0.00 C ATOM 450 CG LYS A 31 -4.931 7.011 5.410 1.00 0.00 C ATOM 451 CD LYS A 31 -5.722 8.234 5.857 1.00 0.00 C ATOM 452 CE LYS A 31 -5.255 8.748 7.206 1.00 0.00 C ATOM 453 NZ LYS A 31 -6.345 9.440 7.948 1.00 0.00 N ATOM 0 H LYS A 31 -3.640 5.236 7.145 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.982 5.428 4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.263 7.501 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.045 7.941 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.113 6.832 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.291 6.134 5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.621 9.024 5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.781 7.981 5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.883 7.915 7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.421 9.435 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.983 9.775 8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.683 10.251 7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.131 8.778 8.108 1.00 0.00 H new ATOM 467 N ASP A 32 -0.509 5.402 4.421 1.00 0.00 N ATOM 468 CA ASP A 32 0.919 5.551 4.189 1.00 0.00 C ATOM 469 C ASP A 32 1.227 6.892 3.532 1.00 0.00 C ATOM 470 O ASP A 32 2.148 7.598 3.942 1.00 0.00 O ATOM 471 CB ASP A 32 1.426 4.411 3.308 1.00 0.00 C ATOM 472 CG ASP A 32 1.199 3.050 3.936 1.00 0.00 C ATOM 473 OD1 ASP A 32 0.047 2.571 3.913 1.00 0.00 O ATOM 474 OD2 ASP A 32 2.175 2.464 4.450 1.00 0.00 O ATOM 0 H ASP A 32 -0.949 4.671 3.861 1.00 0.00 H new ATOM 0 HA ASP A 32 1.428 5.516 5.152 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.923 4.451 2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.491 4.548 3.119 1.00 0.00 H new ATOM 479 N CYS A 33 0.449 7.241 2.511 1.00 0.00 N ATOM 480 CA CYS A 33 0.641 8.502 1.803 1.00 0.00 C ATOM 481 C CYS A 33 0.514 9.678 2.766 1.00 0.00 C ATOM 482 O CYS A 33 0.393 9.491 3.977 1.00 0.00 O ATOM 483 CB CYS A 33 -0.381 8.646 0.670 1.00 0.00 C ATOM 484 SG CYS A 33 0.032 7.754 -0.873 1.00 0.00 S ATOM 0 H CYS A 33 -0.318 6.670 2.157 1.00 0.00 H new ATOM 0 HA CYS A 33 1.643 8.501 1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.348 8.291 1.028 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.496 9.705 0.439 1.00 0.00 H new ATOM 489 N ALA A 34 0.547 10.888 2.222 1.00 0.00 N ATOM 490 CA ALA A 34 0.439 12.092 3.033 1.00 0.00 C ATOM 491 C ALA A 34 -1.011 12.385 3.407 1.00 0.00 C ATOM 492 O ALA A 34 -1.290 12.887 4.496 1.00 0.00 O ATOM 493 CB ALA A 34 1.039 13.273 2.291 1.00 0.00 C ATOM 0 H ALA A 34 0.648 11.061 1.222 1.00 0.00 H new ATOM 0 HA ALA A 34 0.994 11.927 3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.954 14.170 2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.090 13.075 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.504 13.423 1.353 1.00 0.00 H new ATOM 499 N ASP A 35 -1.930 12.076 2.497 1.00 0.00 N ATOM 500 CA ASP A 35 -3.350 12.315 2.736 1.00 0.00 C ATOM 501 C ASP A 35 -4.161 11.032 2.579 1.00 0.00 C ATOM 502 O ASP A 35 -5.299 11.060 2.112 1.00 0.00 O ATOM 503 CB ASP A 35 -3.876 13.382 1.774 1.00 0.00 C ATOM 504 CG ASP A 35 -3.700 14.787 2.317 1.00 0.00 C ATOM 505 OD1 ASP A 35 -3.577 14.935 3.552 1.00 0.00 O ATOM 506 OD2 ASP A 35 -3.686 15.738 1.509 1.00 0.00 O ATOM 0 H ASP A 35 -1.718 11.661 1.590 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.462 12.667 3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.355 13.296 0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.933 13.201 1.578 1.00 0.00 H new ATOM 511 N GLY A 36 -3.570 9.910 2.974 1.00 0.00 N ATOM 512 CA GLY A 36 -4.258 8.636 2.870 1.00 0.00 C ATOM 513 C GLY A 36 -4.616 8.276 1.447 1.00 0.00 C ATOM 514 O GLY A 36 -5.498 7.450 1.213 1.00 0.00 O ATOM 0 H GLY A 36 -2.629 9.859 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.627 7.853 3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.167 8.669 3.471 1.00 0.00 H new ATOM 518 N ALA A 37 -3.925 8.884 0.494 1.00 0.00 N ATOM 519 CA ALA A 37 -4.173 8.607 -0.914 1.00 0.00 C ATOM 520 C ALA A 37 -4.063 7.114 -1.190 1.00 0.00 C ATOM 521 O ALA A 37 -4.767 6.573 -2.043 1.00 0.00 O ATOM 522 CB ALA A 37 -3.199 9.381 -1.781 1.00 0.00 C ATOM 0 H ALA A 37 -3.191 9.570 0.668 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.186 8.928 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.395 9.165 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.321 10.449 -1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.179 9.086 -1.535 1.00 0.00 H new ATOM 528 N ASP A 38 -3.182 6.452 -0.447 1.00 0.00 N ATOM 529 CA ASP A 38 -2.983 5.017 -0.592 1.00 0.00 C ATOM 530 C ASP A 38 -4.240 4.269 -0.163 1.00 0.00 C ATOM 531 O ASP A 38 -4.665 3.316 -0.816 1.00 0.00 O ATOM 532 CB ASP A 38 -1.787 4.564 0.247 1.00 0.00 C ATOM 533 CG ASP A 38 -2.018 4.756 1.732 1.00 0.00 C ATOM 534 OD1 ASP A 38 -2.708 5.728 2.104 1.00 0.00 O ATOM 535 OD2 ASP A 38 -1.508 3.936 2.523 1.00 0.00 O ATOM 0 H ASP A 38 -2.594 6.889 0.263 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.781 4.793 -1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.584 3.512 0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.902 5.123 -0.056 1.00 0.00 H new ATOM 540 N GLU A 39 -4.840 4.725 0.933 1.00 0.00 N ATOM 541 CA GLU A 39 -6.062 4.117 1.447 1.00 0.00 C ATOM 542 C GLU A 39 -7.271 4.627 0.671 1.00 0.00 C ATOM 543 O GLU A 39 -8.312 3.972 0.619 1.00 0.00 O ATOM 544 CB GLU A 39 -6.233 4.423 2.936 1.00 0.00 C ATOM 545 CG GLU A 39 -5.108 3.884 3.803 1.00 0.00 C ATOM 546 CD GLU A 39 -5.546 2.720 4.671 1.00 0.00 C ATOM 547 OE1 GLU A 39 -6.133 2.968 5.745 1.00 0.00 O ATOM 548 OE2 GLU A 39 -5.301 1.560 4.278 1.00 0.00 O ATOM 0 H GLU A 39 -4.499 5.514 1.482 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.986 3.037 1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.298 5.503 3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.178 4.001 3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.283 3.566 3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.729 4.684 4.439 1.00 0.00 H new ATOM 555 N SER A 40 -7.119 5.800 0.064 1.00 0.00 N ATOM 556 CA SER A 40 -8.189 6.400 -0.716 1.00 0.00 C ATOM 557 C SER A 40 -8.434 5.603 -1.986 1.00 0.00 C ATOM 558 O SER A 40 -7.626 4.757 -2.368 1.00 0.00 O ATOM 559 CB SER A 40 -7.844 7.849 -1.065 1.00 0.00 C ATOM 560 OG SER A 40 -7.908 8.679 0.081 1.00 0.00 O ATOM 0 H SER A 40 -6.262 6.353 0.099 1.00 0.00 H new ATOM 0 HA SER A 40 -9.099 6.389 -0.116 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.843 7.894 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.534 8.218 -1.824 1.00 0.00 H new ATOM 0 HG SER A 40 -7.172 8.456 0.688 1.00 0.00 H new ATOM 566 N ILE A 41 -9.553 5.878 -2.638 1.00 0.00 N ATOM 567 CA ILE A 41 -9.904 5.189 -3.864 1.00 0.00 C ATOM 568 C ILE A 41 -8.984 5.606 -5.006 1.00 0.00 C ATOM 569 O ILE A 41 -8.791 4.861 -5.967 1.00 0.00 O ATOM 570 CB ILE A 41 -11.366 5.462 -4.248 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.793 4.533 -5.379 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.556 6.920 -4.638 1.00 0.00 C ATOM 573 CD1 ILE A 41 -12.214 3.163 -4.899 1.00 0.00 C ATOM 0 H ILE A 41 -10.233 6.575 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.782 4.120 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.998 5.264 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.620 4.990 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.968 4.426 -6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.598 7.092 -4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.288 7.560 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.918 7.155 -5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.506 2.552 -5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.382 2.688 -4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.059 3.260 -4.217 1.00 0.00 H new ATOM 585 N ALA A 42 -8.408 6.800 -4.888 1.00 0.00 N ATOM 586 CA ALA A 42 -7.497 7.317 -5.902 1.00 0.00 C ATOM 587 C ALA A 42 -6.438 6.281 -6.264 1.00 0.00 C ATOM 588 O ALA A 42 -5.928 6.260 -7.384 1.00 0.00 O ATOM 589 CB ALA A 42 -6.835 8.592 -5.406 1.00 0.00 C ATOM 0 H ALA A 42 -8.557 7.428 -4.098 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.075 7.540 -6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.156 8.971 -6.170 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.599 9.341 -5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.274 8.380 -4.496 1.00 0.00 H new ATOM 595 N ALA A 43 -6.117 5.421 -5.303 1.00 0.00 N ATOM 596 CA ALA A 43 -5.123 4.376 -5.505 1.00 0.00 C ATOM 597 C ALA A 43 -5.778 3.077 -5.960 1.00 0.00 C ATOM 598 O ALA A 43 -5.143 2.241 -6.605 1.00 0.00 O ATOM 599 CB ALA A 43 -4.343 4.145 -4.221 1.00 0.00 C ATOM 0 H ALA A 43 -6.534 5.429 -4.372 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.439 4.703 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.602 3.362 -4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.840 5.067 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.027 3.840 -3.429 1.00 0.00 H new ATOM 605 N GLY A 44 -7.049 2.912 -5.613 1.00 0.00 N ATOM 606 CA GLY A 44 -7.771 1.711 -5.984 1.00 0.00 C ATOM 607 C GLY A 44 -8.070 0.832 -4.787 1.00 0.00 C ATOM 608 O GLY A 44 -8.053 -0.394 -4.887 1.00 0.00 O ATOM 0 H GLY A 44 -7.593 3.591 -5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.705 1.987 -6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.186 1.147 -6.710 1.00 0.00 H new ATOM 612 N CYS A 45 -8.341 1.465 -3.649 1.00 0.00 N ATOM 613 CA CYS A 45 -8.644 0.736 -2.422 1.00 0.00 C ATOM 614 C CYS A 45 -10.114 0.312 -2.375 1.00 0.00 C ATOM 615 O CYS A 45 -10.552 -0.312 -1.411 1.00 0.00 O ATOM 616 CB CYS A 45 -8.312 1.600 -1.199 1.00 0.00 C ATOM 617 SG CYS A 45 -6.822 1.085 -0.283 1.00 0.00 S ATOM 0 H CYS A 45 -8.357 2.480 -3.551 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.030 -0.164 -2.407 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.183 2.632 -1.525 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.163 1.585 -0.519 1.00 0.00 H new ATOM 622 N LEU A 46 -10.870 0.653 -3.416 1.00 0.00 N ATOM 623 CA LEU A 46 -12.288 0.305 -3.481 1.00 0.00 C ATOM 624 C LEU A 46 -13.083 1.012 -2.388 1.00 0.00 C ATOM 625 O LEU A 46 -14.215 0.632 -2.091 1.00 0.00 O ATOM 626 CB LEU A 46 -12.481 -1.211 -3.358 1.00 0.00 C ATOM 627 CG LEU A 46 -11.522 -2.078 -4.183 1.00 0.00 C ATOM 628 CD1 LEU A 46 -11.061 -1.347 -5.437 1.00 0.00 C ATOM 629 CD2 LEU A 46 -10.329 -2.501 -3.337 1.00 0.00 C ATOM 0 H LEU A 46 -10.525 1.169 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.660 0.636 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.378 -1.487 -2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.502 -1.453 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.059 -2.973 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.382 -1.986 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.926 -1.101 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.545 -0.430 -5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.658 -3.116 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.797 -1.615 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.677 -3.075 -2.478 1.00 0.00 H new ATOM 641 N TYR A 47 -12.489 2.042 -1.792 1.00 0.00 N ATOM 642 CA TYR A 47 -13.151 2.795 -0.735 1.00 0.00 C ATOM 643 C TYR A 47 -12.276 3.953 -0.265 1.00 0.00 C ATOM 644 O TYR A 47 -11.149 4.120 -0.732 1.00 0.00 O ATOM 645 CB TYR A 47 -13.482 1.877 0.442 1.00 0.00 C ATOM 646 CG TYR A 47 -12.263 1.395 1.193 1.00 0.00 C ATOM 647 CD1 TYR A 47 -11.637 2.206 2.131 1.00 0.00 C ATOM 648 CD2 TYR A 47 -11.735 0.132 0.960 1.00 0.00 C ATOM 649 CE1 TYR A 47 -10.520 1.772 2.816 1.00 0.00 C ATOM 650 CE2 TYR A 47 -10.618 -0.310 1.641 1.00 0.00 C ATOM 651 CZ TYR A 47 -10.013 0.513 2.567 1.00 0.00 C ATOM 652 OH TYR A 47 -8.901 0.077 3.250 1.00 0.00 O ATOM 0 H TYR A 47 -11.552 2.373 -2.023 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.078 3.204 -1.137 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.138 2.407 1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.037 1.014 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.031 3.192 2.328 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.206 -0.515 0.234 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.045 2.414 3.543 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.220 -1.296 1.449 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.014 -0.866 3.490 1.00 0.00 H new ATOM 662 N ASN A 48 -12.800 4.749 0.663 1.00 0.00 N ATOM 663 CA ASN A 48 -12.063 5.890 1.195 1.00 0.00 C ATOM 664 C ASN A 48 -12.892 6.637 2.237 1.00 0.00 C ATOM 665 O ASN A 48 -13.696 7.506 1.897 1.00 0.00 O ATOM 666 CB ASN A 48 -11.668 6.838 0.061 1.00 0.00 C ATOM 667 CG ASN A 48 -10.957 8.083 0.557 1.00 0.00 C ATOM 668 OD1 ASN A 48 -11.284 9.199 0.155 1.00 0.00 O ATOM 669 ND2 ASN A 48 -9.980 7.897 1.436 1.00 0.00 N ATOM 0 H ASN A 48 -13.731 4.625 1.061 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.160 5.517 1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.021 6.310 -0.639 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.562 7.131 -0.490 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.467 8.698 1.806 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.742 6.954 1.742 1.00 0.00 H new ATOM 676 N SER A 49 -12.688 6.296 3.505 1.00 0.00 N ATOM 677 CA SER A 49 -13.414 6.938 4.596 1.00 0.00 C ATOM 678 C SER A 49 -12.929 6.430 5.950 1.00 0.00 C ATOM 679 O SER A 49 -12.192 7.121 6.653 1.00 0.00 O ATOM 680 CB SER A 49 -14.916 6.691 4.454 1.00 0.00 C ATOM 681 OG SER A 49 -15.654 7.501 5.354 1.00 0.00 O ATOM 0 H SER A 49 -12.026 5.579 3.803 1.00 0.00 H new ATOM 0 HA SER A 49 -13.222 8.010 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.227 6.902 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.134 5.640 4.643 1.00 0.00 H new ATOM 0 HG SER A 49 -16.612 7.325 5.242 1.00 0.00 H new ATOM 687 N THR A 50 -13.348 5.220 6.311 1.00 0.00 N ATOM 688 CA THR A 50 -12.956 4.626 7.581 1.00 0.00 C ATOM 689 C THR A 50 -13.069 3.105 7.529 1.00 0.00 C ATOM 690 O THR A 50 -12.064 2.395 7.570 1.00 0.00 O ATOM 691 CB THR A 50 -13.823 5.175 8.717 1.00 0.00 C ATOM 692 OG1 THR A 50 -15.163 4.737 8.584 1.00 0.00 O ATOM 693 CG2 THR A 50 -13.843 6.686 8.783 1.00 0.00 C ATOM 0 H THR A 50 -13.958 4.634 5.741 1.00 0.00 H new ATOM 0 HA THR A 50 -11.915 4.889 7.769 1.00 0.00 H new ATOM 0 HB THR A 50 -13.369 4.793 9.631 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.700 5.097 9.321 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.476 7.006 9.611 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.830 7.057 8.937 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.237 7.086 7.849 1.00 0.00 H new ATOM 701 N GLY A 51 -14.300 2.613 7.441 1.00 0.00 N ATOM 702 CA GLY A 51 -14.524 1.181 7.388 1.00 0.00 C ATOM 703 C GLY A 51 -14.205 0.497 8.702 1.00 0.00 C ATOM 704 O GLY A 51 -13.362 0.970 9.466 1.00 0.00 O ATOM 0 H GLY A 51 -15.147 3.181 7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.564 0.988 7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.910 0.749 6.598 1.00 0.00 H new ATOM 708 N SER A 52 -14.877 -0.618 8.967 1.00 0.00 N ATOM 709 CA SER A 52 -14.657 -1.367 10.198 1.00 0.00 C ATOM 710 C SER A 52 -13.202 -1.810 10.308 1.00 0.00 C ATOM 711 O SER A 52 -12.664 -1.944 11.407 1.00 0.00 O ATOM 712 CB SER A 52 -15.581 -2.585 10.251 1.00 0.00 C ATOM 713 OG SER A 52 -16.938 -2.192 10.356 1.00 0.00 O ATOM 0 H SER A 52 -15.578 -1.023 8.346 1.00 0.00 H new ATOM 0 HA SER A 52 -14.884 -0.713 11.040 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.443 -3.189 9.355 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.314 -3.211 11.102 1.00 0.00 H new ATOM 0 HG SER A 52 -17.508 -2.989 10.386 1.00 0.00 H new ATOM 719 N GLY A 53 -12.571 -2.034 9.160 1.00 0.00 N ATOM 720 CA GLY A 53 -11.184 -2.458 9.145 1.00 0.00 C ATOM 721 C GLY A 53 -10.652 -2.651 7.739 1.00 0.00 C ATOM 722 O GLY A 53 -9.498 -2.330 7.455 1.00 0.00 O ATOM 0 H GLY A 53 -12.996 -1.929 8.239 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.575 -1.716 9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.087 -3.392 9.698 1.00 0.00 H new ATOM 726 N SER A 54 -11.495 -3.177 6.856 1.00 0.00 N ATOM 727 CA SER A 54 -11.102 -3.412 5.472 1.00 0.00 C ATOM 728 C SER A 54 -12.272 -3.167 4.523 1.00 0.00 C ATOM 729 O SER A 54 -13.065 -4.069 4.255 1.00 0.00 O ATOM 730 CB SER A 54 -10.584 -4.841 5.304 1.00 0.00 C ATOM 731 OG SER A 54 -11.628 -5.786 5.468 1.00 0.00 O ATOM 0 H SER A 54 -12.454 -3.448 7.074 1.00 0.00 H new ATOM 0 HA SER A 54 -10.305 -2.712 5.223 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.138 -4.955 4.316 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.797 -5.034 6.033 1.00 0.00 H new ATOM 0 HG SER A 54 -12.343 -5.599 4.824 1.00 0.00 H new ATOM 737 N GLY A 55 -12.374 -1.941 4.020 1.00 0.00 N ATOM 738 CA GLY A 55 -13.450 -1.599 3.108 1.00 0.00 C ATOM 739 C GLY A 55 -13.464 -2.470 1.867 1.00 0.00 C ATOM 740 O GLY A 55 -12.427 -2.985 1.452 1.00 0.00 O ATOM 0 H GLY A 55 -11.730 -1.178 4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.404 -1.696 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.352 -0.554 2.813 1.00 0.00 H new ATOM 744 N SER A 56 -14.643 -2.632 1.272 1.00 0.00 N ATOM 745 CA SER A 56 -14.797 -3.444 0.065 1.00 0.00 C ATOM 746 C SER A 56 -14.750 -4.939 0.382 1.00 0.00 C ATOM 747 O SER A 56 -14.771 -5.771 -0.526 1.00 0.00 O ATOM 748 CB SER A 56 -13.714 -3.095 -0.960 1.00 0.00 C ATOM 749 OG SER A 56 -14.254 -3.023 -2.268 1.00 0.00 O ATOM 0 H SER A 56 -15.510 -2.211 1.607 1.00 0.00 H new ATOM 0 HA SER A 56 -15.776 -3.218 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.256 -2.141 -0.699 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.925 -3.846 -0.930 1.00 0.00 H new ATOM 0 HG SER A 56 -14.729 -3.855 -2.472 1.00 0.00 H new ATOM 755 N GLY A 57 -14.691 -5.280 1.667 1.00 0.00 N ATOM 756 CA GLY A 57 -14.648 -6.677 2.060 1.00 0.00 C ATOM 757 C GLY A 57 -13.319 -7.337 1.747 1.00 0.00 C ATOM 758 O GLY A 57 -12.275 -6.684 1.757 1.00 0.00 O ATOM 0 H GLY A 57 -14.672 -4.615 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.844 -6.755 3.129 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.445 -7.217 1.550 1.00 0.00 H new ATOM 762 N SER A 129 -13.359 -8.638 1.472 1.00 0.00 N ATOM 763 CA SER A 129 -12.153 -9.397 1.157 1.00 0.00 C ATOM 764 C SER A 129 -11.387 -8.764 0.001 1.00 0.00 C ATOM 765 O SER A 129 -10.161 -8.854 -0.065 1.00 0.00 O ATOM 766 CB SER A 129 -12.512 -10.844 0.812 1.00 0.00 C ATOM 767 OG SER A 129 -13.602 -11.299 1.595 1.00 0.00 O ATOM 0 H SER A 129 -14.217 -9.190 1.461 1.00 0.00 H new ATOM 0 HA SER A 129 -11.512 -9.385 2.038 1.00 0.00 H new ATOM 0 HB2 SER A 129 -12.764 -10.917 -0.246 1.00 0.00 H new ATOM 0 HB3 SER A 129 -11.647 -11.486 0.979 1.00 0.00 H new ATOM 0 HG SER A 129 -13.813 -12.225 1.355 1.00 0.00 H new ATOM 773 N THR A 130 -12.114 -8.121 -0.908 1.00 0.00 N ATOM 774 CA THR A 130 -11.496 -7.471 -2.060 1.00 0.00 C ATOM 775 C THR A 130 -10.323 -6.595 -1.630 1.00 0.00 C ATOM 776 O THR A 130 -9.379 -6.385 -2.392 1.00 0.00 O ATOM 777 CB THR A 130 -12.525 -6.626 -2.812 1.00 0.00 C ATOM 778 OG1 THR A 130 -13.836 -7.114 -2.588 1.00 0.00 O ATOM 779 CG2 THR A 130 -12.293 -6.599 -4.307 1.00 0.00 C ATOM 0 H THR A 130 -13.130 -8.036 -0.870 1.00 0.00 H new ATOM 0 HA THR A 130 -11.121 -8.251 -2.723 1.00 0.00 H new ATOM 0 HB THR A 130 -12.411 -5.614 -2.423 1.00 0.00 H new ATOM 0 HG1 THR A 130 -14.343 -6.461 -2.062 1.00 0.00 H new ATOM 0 HG21 THR A 130 -13.056 -5.983 -4.783 1.00 0.00 H new ATOM 0 HG22 THR A 130 -11.308 -6.181 -4.515 1.00 0.00 H new ATOM 0 HG23 THR A 130 -12.347 -7.613 -4.702 1.00 0.00 H new ATOM 787 N GLU A 131 -10.389 -6.088 -0.403 1.00 0.00 N ATOM 788 CA GLU A 131 -9.334 -5.237 0.130 1.00 0.00 C ATOM 789 C GLU A 131 -8.016 -5.997 0.223 1.00 0.00 C ATOM 790 O GLU A 131 -7.058 -5.688 -0.486 1.00 0.00 O ATOM 791 CB GLU A 131 -9.727 -4.710 1.511 1.00 0.00 C ATOM 792 CG GLU A 131 -8.868 -3.550 1.985 1.00 0.00 C ATOM 793 CD GLU A 131 -7.803 -3.980 2.975 1.00 0.00 C ATOM 794 OE1 GLU A 131 -6.960 -4.827 2.609 1.00 0.00 O ATOM 795 OE2 GLU A 131 -7.811 -3.471 4.115 1.00 0.00 O ATOM 0 H GLU A 131 -11.163 -6.253 0.240 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.201 -4.396 -0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -10.770 -4.393 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -9.657 -5.522 2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.391 -3.081 1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.505 -2.796 2.447 1.00 0.00 H new ATOM 802 N GLU A 132 -7.976 -6.994 1.101 1.00 0.00 N ATOM 803 CA GLU A 132 -6.775 -7.799 1.287 1.00 0.00 C ATOM 804 C GLU A 132 -6.425 -8.557 0.012 1.00 0.00 C ATOM 805 O GLU A 132 -5.263 -8.874 -0.232 1.00 0.00 O ATOM 806 CB GLU A 132 -6.966 -8.789 2.441 1.00 0.00 C ATOM 807 CG GLU A 132 -7.686 -8.199 3.644 1.00 0.00 C ATOM 808 CD GLU A 132 -6.830 -8.197 4.896 1.00 0.00 C ATOM 809 OE1 GLU A 132 -6.715 -9.261 5.539 1.00 0.00 O ATOM 810 OE2 GLU A 132 -6.274 -7.130 5.234 1.00 0.00 O ATOM 0 H GLU A 132 -8.761 -7.263 1.694 1.00 0.00 H new ATOM 0 HA GLU A 132 -5.954 -7.124 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.528 -9.650 2.079 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -5.990 -9.156 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.990 -7.178 3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.596 -8.768 3.832 1.00 0.00 H new ATOM 817 N LEU A 133 -7.440 -8.846 -0.797 1.00 0.00 N ATOM 818 CA LEU A 133 -7.243 -9.572 -2.048 1.00 0.00 C ATOM 819 C LEU A 133 -6.134 -8.940 -2.888 1.00 0.00 C ATOM 820 O LEU A 133 -5.037 -9.487 -2.996 1.00 0.00 O ATOM 821 CB LEU A 133 -8.551 -9.609 -2.842 1.00 0.00 C ATOM 822 CG LEU A 133 -9.351 -10.907 -2.714 1.00 0.00 C ATOM 823 CD1 LEU A 133 -9.584 -11.255 -1.250 1.00 0.00 C ATOM 824 CD2 LEU A 133 -10.675 -10.788 -3.453 1.00 0.00 C ATOM 0 H LEU A 133 -8.409 -8.588 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.940 -10.590 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.179 -8.780 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.324 -9.443 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.773 -11.713 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.155 -12.181 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.624 -11.383 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.140 -10.450 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -11.233 -11.719 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -11.256 -9.969 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -10.486 -10.590 -4.508 1.00 0.00 H new ATOM 836 N ARG A 134 -6.429 -7.789 -3.481 1.00 0.00 N ATOM 837 CA ARG A 134 -5.456 -7.086 -4.311 1.00 0.00 C ATOM 838 C ARG A 134 -4.264 -6.623 -3.482 1.00 0.00 C ATOM 839 O ARG A 134 -3.124 -6.637 -3.947 1.00 0.00 O ATOM 840 CB ARG A 134 -6.114 -5.883 -4.992 1.00 0.00 C ATOM 841 CG ARG A 134 -6.529 -4.783 -4.024 1.00 0.00 C ATOM 842 CD ARG A 134 -7.627 -3.903 -4.605 1.00 0.00 C ATOM 843 NE ARG A 134 -7.538 -3.789 -6.060 1.00 0.00 N ATOM 844 CZ ARG A 134 -6.567 -3.137 -6.696 1.00 0.00 C ATOM 845 NH1 ARG A 134 -5.601 -2.537 -6.011 1.00 0.00 N ATOM 846 NH2 ARG A 134 -6.561 -3.087 -8.021 1.00 0.00 N ATOM 0 H ARG A 134 -7.333 -7.323 -3.403 1.00 0.00 H new ATOM 0 HA ARG A 134 -5.098 -7.779 -5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -5.422 -5.468 -5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -6.993 -6.223 -5.540 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.876 -5.230 -3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.663 -4.169 -3.779 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.600 -4.314 -4.334 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.566 -2.909 -4.161 1.00 0.00 H new ATOM 0 HE ARG A 134 -8.263 -4.236 -6.621 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -5.600 -2.574 -4.992 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -4.860 -2.039 -6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -7.300 -3.548 -8.552 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -5.817 -2.588 -8.509 1.00 0.00 H new ATOM 860 N VAL A 135 -4.540 -6.206 -2.253 1.00 0.00 N ATOM 861 CA VAL A 135 -3.502 -5.728 -1.350 1.00 0.00 C ATOM 862 C VAL A 135 -2.532 -6.848 -0.967 1.00 0.00 C ATOM 863 O VAL A 135 -1.396 -6.585 -0.576 1.00 0.00 O ATOM 864 CB VAL A 135 -4.127 -5.122 -0.074 1.00 0.00 C ATOM 865 CG1 VAL A 135 -3.060 -4.755 0.946 1.00 0.00 C ATOM 866 CG2 VAL A 135 -4.969 -3.906 -0.426 1.00 0.00 C ATOM 0 H VAL A 135 -5.480 -6.189 -1.857 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.943 -4.956 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 135 -4.770 -5.878 0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -3.534 -4.331 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -2.501 -5.648 1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -2.379 -4.022 0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.403 -3.489 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.341 -3.155 -0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.767 -4.201 -1.107 1.00 0.00 H new ATOM 876 N ARG A 136 -2.986 -8.093 -1.077 1.00 0.00 N ATOM 877 CA ARG A 136 -2.155 -9.243 -0.734 1.00 0.00 C ATOM 878 C ARG A 136 -1.070 -9.478 -1.782 1.00 0.00 C ATOM 879 O ARG A 136 0.108 -9.614 -1.450 1.00 0.00 O ATOM 880 CB ARG A 136 -3.019 -10.498 -0.592 1.00 0.00 C ATOM 881 CG ARG A 136 -3.388 -10.820 0.846 1.00 0.00 C ATOM 882 CD ARG A 136 -4.740 -11.508 0.935 1.00 0.00 C ATOM 883 NE ARG A 136 -4.654 -12.930 0.611 1.00 0.00 N ATOM 884 CZ ARG A 136 -4.083 -13.839 1.399 1.00 0.00 C ATOM 885 NH1 ARG A 136 -3.535 -13.478 2.553 1.00 0.00 N ATOM 886 NH2 ARG A 136 -4.056 -15.112 1.029 1.00 0.00 N ATOM 0 H ARG A 136 -3.924 -8.331 -1.401 1.00 0.00 H new ATOM 0 HA ARG A 136 -1.669 -9.029 0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -3.932 -10.368 -1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.486 -11.347 -1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -2.623 -11.461 1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -3.407 -9.901 1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.141 -11.389 1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -5.439 -11.023 0.254 1.00 0.00 H new ATOM 0 HE ARG A 136 -5.056 -13.246 -0.272 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.550 -12.499 2.841 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -3.099 -14.179 3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -4.472 -15.394 0.142 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -3.619 -15.809 1.632 1.00 0.00 H new ATOM 900 N LEU A 137 -1.476 -9.536 -3.046 1.00 0.00 N ATOM 901 CA LEU A 137 -0.544 -9.766 -4.147 1.00 0.00 C ATOM 902 C LEU A 137 0.675 -8.849 -4.058 1.00 0.00 C ATOM 903 O LEU A 137 1.750 -9.186 -4.553 1.00 0.00 O ATOM 904 CB LEU A 137 -1.253 -9.560 -5.490 1.00 0.00 C ATOM 905 CG LEU A 137 -0.397 -9.822 -6.734 1.00 0.00 C ATOM 906 CD1 LEU A 137 0.511 -8.635 -7.021 1.00 0.00 C ATOM 907 CD2 LEU A 137 0.421 -11.096 -6.568 1.00 0.00 C ATOM 0 H LEU A 137 -2.448 -9.427 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 137 -0.194 -10.796 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.124 -10.214 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.622 -8.535 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 137 -1.065 -9.955 -7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 137 1.110 -8.841 -7.908 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -0.096 -7.746 -7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 137 1.170 -8.467 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 137 1.021 -11.262 -7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 137 1.078 -10.997 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -0.250 -11.942 -6.418 1.00 0.00 H new ATOM 919 N ALA A 138 0.502 -7.689 -3.433 1.00 0.00 N ATOM 920 CA ALA A 138 1.594 -6.732 -3.295 1.00 0.00 C ATOM 921 C ALA A 138 2.423 -6.997 -2.042 1.00 0.00 C ATOM 922 O ALA A 138 3.600 -6.643 -1.982 1.00 0.00 O ATOM 923 CB ALA A 138 1.052 -5.312 -3.280 1.00 0.00 C ATOM 0 H ALA A 138 -0.379 -7.390 -3.016 1.00 0.00 H new ATOM 0 HA ALA A 138 2.251 -6.854 -4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 138 1.878 -4.608 -3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.522 -5.115 -4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 138 0.367 -5.193 -2.441 1.00 0.00 H new ATOM 929 N SER A 139 1.808 -7.621 -1.044 1.00 0.00 N ATOM 930 CA SER A 139 2.500 -7.929 0.204 1.00 0.00 C ATOM 931 C SER A 139 3.497 -9.073 0.020 1.00 0.00 C ATOM 932 O SER A 139 4.276 -9.376 0.923 1.00 0.00 O ATOM 933 CB SER A 139 1.485 -8.280 1.298 1.00 0.00 C ATOM 934 OG SER A 139 1.780 -9.528 1.904 1.00 0.00 O ATOM 0 H SER A 139 0.834 -7.923 -1.073 1.00 0.00 H new ATOM 0 HA SER A 139 3.059 -7.043 0.506 1.00 0.00 H new ATOM 0 HB2 SER A 139 1.483 -7.498 2.057 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.483 -8.311 0.869 1.00 0.00 H new ATOM 0 HG SER A 139 1.115 -9.720 2.598 1.00 0.00 H new ATOM 940 N HIS A 140 3.466 -9.709 -1.148 1.00 0.00 N ATOM 941 CA HIS A 140 4.364 -10.820 -1.441 1.00 0.00 C ATOM 942 C HIS A 140 5.828 -10.442 -1.213 1.00 0.00 C ATOM 943 O HIS A 140 6.666 -11.309 -0.964 1.00 0.00 O ATOM 944 CB HIS A 140 4.162 -11.300 -2.882 1.00 0.00 C ATOM 945 CG HIS A 140 4.501 -10.275 -3.924 1.00 0.00 C ATOM 946 ND1 HIS A 140 4.456 -8.914 -3.715 1.00 0.00 N ATOM 947 CD2 HIS A 140 4.901 -10.441 -5.211 1.00 0.00 C ATOM 948 CE1 HIS A 140 4.822 -8.311 -4.854 1.00 0.00 C ATOM 949 NE2 HIS A 140 5.102 -9.193 -5.793 1.00 0.00 N ATOM 0 H HIS A 140 2.827 -9.473 -1.907 1.00 0.00 H new ATOM 0 HA HIS A 140 4.120 -11.630 -0.754 1.00 0.00 H new ATOM 0 HB2 HIS A 140 4.775 -12.186 -3.047 1.00 0.00 H new ATOM 0 HB3 HIS A 140 3.123 -11.602 -3.010 1.00 0.00 H new ATOM 0 HD2 HIS A 140 5.041 -11.391 -5.705 1.00 0.00 H new ATOM 0 HE1 HIS A 140 4.880 -7.241 -4.986 1.00 0.00 H new ATOM 0 HE2 HIS A 140 5.404 -9.001 -6.748 1.00 0.00 H new ATOM 957 N LEU A 141 6.136 -9.150 -1.302 1.00 0.00 N ATOM 958 CA LEU A 141 7.506 -8.681 -1.107 1.00 0.00 C ATOM 959 C LEU A 141 7.550 -7.383 -0.305 1.00 0.00 C ATOM 960 O LEU A 141 8.294 -7.269 0.670 1.00 0.00 O ATOM 961 CB LEU A 141 8.190 -8.471 -2.459 1.00 0.00 C ATOM 962 CG LEU A 141 9.603 -7.886 -2.381 1.00 0.00 C ATOM 963 CD1 LEU A 141 10.635 -8.932 -2.767 1.00 0.00 C ATOM 964 CD2 LEU A 141 9.723 -6.655 -3.269 1.00 0.00 C ATOM 0 H LEU A 141 5.461 -8.414 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 141 8.037 -9.447 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.236 -9.428 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.571 -7.809 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 141 9.794 -7.582 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 141 11.633 -8.498 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 141 10.566 -9.780 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 141 10.448 -9.269 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 141 10.734 -6.254 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 141 9.511 -6.930 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 141 9.010 -5.899 -2.941 1.00 0.00 H new ATOM 976 N ARG A 142 6.764 -6.401 -0.740 1.00 0.00 N ATOM 977 CA ARG A 142 6.715 -5.090 -0.090 1.00 0.00 C ATOM 978 C ARG A 142 6.770 -5.194 1.436 1.00 0.00 C ATOM 979 O ARG A 142 7.794 -4.888 2.048 1.00 0.00 O ATOM 980 CB ARG A 142 5.453 -4.337 -0.517 1.00 0.00 C ATOM 981 CG ARG A 142 5.338 -4.145 -2.022 1.00 0.00 C ATOM 982 CD ARG A 142 6.612 -3.557 -2.610 1.00 0.00 C ATOM 983 NE ARG A 142 6.336 -2.650 -3.722 1.00 0.00 N ATOM 984 CZ ARG A 142 5.828 -3.038 -4.889 1.00 0.00 C ATOM 985 NH1 ARG A 142 5.531 -4.314 -5.101 1.00 0.00 N ATOM 986 NH2 ARG A 142 5.615 -2.146 -5.846 1.00 0.00 N ATOM 0 H ARG A 142 6.146 -6.488 -1.547 1.00 0.00 H new ATOM 0 HA ARG A 142 7.599 -4.538 -0.411 1.00 0.00 H new ATOM 0 HB2 ARG A 142 4.578 -4.880 -0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 142 5.441 -3.361 -0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 142 5.126 -5.103 -2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 142 4.497 -3.487 -2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 142 7.156 -3.021 -1.832 1.00 0.00 H new ATOM 0 HD3 ARG A 142 7.259 -4.364 -2.953 1.00 0.00 H new ATOM 0 HE ARG A 142 6.545 -1.660 -3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 142 5.692 -5.004 -4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 142 5.142 -4.605 -5.998 1.00 0.00 H new ATOM 0 HH21 ARG A 142 5.840 -1.164 -5.687 1.00 0.00 H new ATOM 0 HH22 ARG A 142 5.226 -2.442 -6.741 1.00 0.00 H new ATOM 1000 N LYS A 143 5.668 -5.617 2.046 1.00 0.00 N ATOM 1001 CA LYS A 143 5.606 -5.746 3.498 1.00 0.00 C ATOM 1002 C LYS A 143 6.270 -7.036 3.969 1.00 0.00 C ATOM 1003 O LYS A 143 6.794 -7.103 5.081 1.00 0.00 O ATOM 1004 CB LYS A 143 4.154 -5.696 3.976 1.00 0.00 C ATOM 1005 CG LYS A 143 3.513 -4.324 3.836 1.00 0.00 C ATOM 1006 CD LYS A 143 4.338 -3.245 4.523 1.00 0.00 C ATOM 1007 CE LYS A 143 3.586 -1.923 4.590 1.00 0.00 C ATOM 1008 NZ LYS A 143 2.959 -1.705 5.923 1.00 0.00 N ATOM 0 H LYS A 143 4.809 -5.875 1.561 1.00 0.00 H new ATOM 0 HA LYS A 143 6.152 -4.907 3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 143 3.569 -6.421 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 143 4.114 -6.001 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 143 3.402 -4.080 2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 143 2.511 -4.345 4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 143 4.595 -3.569 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 143 5.275 -3.104 3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 143 4.272 -1.104 4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 143 2.815 -1.905 3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 2.457 -0.794 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 2.285 -2.472 6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 3.696 -1.696 6.656 1.00 0.00 H new ATOM 1022 N LEU A 144 6.248 -8.060 3.121 1.00 0.00 N ATOM 1023 CA LEU A 144 6.854 -9.341 3.465 1.00 0.00 C ATOM 1024 C LEU A 144 8.374 -9.224 3.516 1.00 0.00 C ATOM 1025 O LEU A 144 8.970 -9.212 4.593 1.00 0.00 O ATOM 1026 CB LEU A 144 6.445 -10.418 2.458 1.00 0.00 C ATOM 1027 CG LEU A 144 5.157 -11.170 2.803 1.00 0.00 C ATOM 1028 CD1 LEU A 144 4.684 -12.000 1.618 1.00 0.00 C ATOM 1029 CD2 LEU A 144 5.368 -12.052 4.025 1.00 0.00 C ATOM 0 H LEU A 144 5.820 -8.028 2.196 1.00 0.00 H new ATOM 0 HA LEU A 144 6.494 -9.629 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 144 6.325 -9.953 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 144 7.257 -11.140 2.371 1.00 0.00 H new ATOM 0 HG LEU A 144 4.384 -10.438 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 144 3.767 -12.526 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 144 4.492 -11.345 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.453 -12.724 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 144 4.443 -12.580 4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 144 6.157 -12.776 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 144 5.656 -11.433 4.875 1.00 0.00 H new ATOM 1041 N ARG A 145 8.996 -9.134 2.344 1.00 0.00 N ATOM 1042 CA ARG A 145 10.446 -9.013 2.257 1.00 0.00 C ATOM 1043 C ARG A 145 10.902 -7.646 2.768 1.00 0.00 C ATOM 1044 O ARG A 145 11.235 -7.495 3.943 1.00 0.00 O ATOM 1045 CB ARG A 145 10.910 -9.226 0.811 1.00 0.00 C ATOM 1046 CG ARG A 145 11.480 -10.611 0.550 1.00 0.00 C ATOM 1047 CD ARG A 145 10.524 -11.704 0.999 1.00 0.00 C ATOM 1048 NE ARG A 145 11.033 -13.038 0.687 1.00 0.00 N ATOM 1049 CZ ARG A 145 10.618 -14.150 1.291 1.00 0.00 C ATOM 1050 NH1 ARG A 145 9.687 -14.094 2.235 1.00 0.00 N ATOM 1051 NH2 ARG A 145 11.136 -15.321 0.948 1.00 0.00 N ATOM 0 H ARG A 145 8.518 -9.143 1.443 1.00 0.00 H new ATOM 0 HA ARG A 145 10.897 -9.782 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 145 10.068 -9.057 0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 145 11.666 -8.480 0.568 1.00 0.00 H new ATOM 0 HG2 ARG A 145 11.689 -10.724 -0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 145 12.429 -10.719 1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 145 10.358 -11.621 2.073 1.00 0.00 H new ATOM 0 HD3 ARG A 145 9.558 -11.562 0.515 1.00 0.00 H new ATOM 0 HE ARG A 145 11.748 -13.122 -0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 145 9.285 -13.195 2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 145 9.374 -14.949 2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 145 11.851 -15.369 0.222 1.00 0.00 H new ATOM 0 HH22 ARG A 145 10.819 -16.174 1.410 1.00 0.00 H new ATOM 1065 N LYS A 146 10.907 -6.651 1.878 1.00 0.00 N ATOM 1066 CA LYS A 146 11.310 -5.290 2.231 1.00 0.00 C ATOM 1067 C LYS A 146 12.825 -5.159 2.406 1.00 0.00 C ATOM 1068 O LYS A 146 13.333 -4.055 2.589 1.00 0.00 O ATOM 1069 CB LYS A 146 10.600 -4.834 3.509 1.00 0.00 C ATOM 1070 CG LYS A 146 10.734 -3.346 3.784 1.00 0.00 C ATOM 1071 CD LYS A 146 10.061 -2.518 2.703 1.00 0.00 C ATOM 1072 CE LYS A 146 9.920 -1.065 3.124 1.00 0.00 C ATOM 1073 NZ LYS A 146 9.030 -0.911 4.308 1.00 0.00 N ATOM 0 H LYS A 146 10.634 -6.765 0.902 1.00 0.00 H new ATOM 0 HA LYS A 146 11.016 -4.648 1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 146 9.542 -5.087 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 146 11.003 -5.389 4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 146 10.291 -3.112 4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 146 11.789 -3.079 3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 146 10.642 -2.577 1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 146 9.077 -2.932 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 146 10.904 -0.657 3.355 1.00 0.00 H new ATOM 0 HE3 LYS A 146 9.521 -0.484 2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 8.100 -0.562 4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 8.916 -1.831 4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 9.452 -0.232 4.973 1.00 0.00 H new ATOM 1087 N ARG A 147 13.548 -6.281 2.354 1.00 0.00 N ATOM 1088 CA ARG A 147 15.006 -6.273 2.510 1.00 0.00 C ATOM 1089 C ARG A 147 15.416 -6.027 3.967 1.00 0.00 C ATOM 1090 O ARG A 147 16.466 -6.497 4.406 1.00 0.00 O ATOM 1091 CB ARG A 147 15.642 -5.241 1.553 1.00 0.00 C ATOM 1092 CG ARG A 147 16.728 -4.354 2.161 1.00 0.00 C ATOM 1093 CD ARG A 147 16.238 -2.924 2.323 1.00 0.00 C ATOM 1094 NE ARG A 147 16.877 -2.241 3.445 1.00 0.00 N ATOM 1095 CZ ARG A 147 18.066 -1.646 3.374 1.00 0.00 C ATOM 1096 NH1 ARG A 147 18.759 -1.663 2.243 1.00 0.00 N ATOM 1097 NH2 ARG A 147 18.562 -1.033 4.440 1.00 0.00 N ATOM 0 H ARG A 147 13.148 -7.207 2.205 1.00 0.00 H new ATOM 0 HA ARG A 147 15.384 -7.260 2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 147 16.068 -5.775 0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 147 14.852 -4.600 1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 147 17.026 -4.752 3.131 1.00 0.00 H new ATOM 0 HG3 ARG A 147 17.613 -4.369 1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 147 16.433 -2.370 1.405 1.00 0.00 H new ATOM 0 HD3 ARG A 147 15.158 -2.927 2.470 1.00 0.00 H new ATOM 0 HE ARG A 147 16.382 -2.219 4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 147 18.382 -2.134 1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 147 19.669 -1.205 2.196 1.00 0.00 H new ATOM 0 HH21 ARG A 147 18.033 -1.018 5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 147 19.473 -0.576 4.388 1.00 0.00 H new ATOM 1111 N LEU A 148 14.594 -5.295 4.714 1.00 0.00 N ATOM 1112 CA LEU A 148 14.890 -5.003 6.111 1.00 0.00 C ATOM 1113 C LEU A 148 13.641 -4.501 6.833 1.00 0.00 C ATOM 1114 O LEU A 148 12.520 -4.726 6.378 1.00 0.00 O ATOM 1115 CB LEU A 148 16.015 -3.968 6.205 1.00 0.00 C ATOM 1116 CG LEU A 148 17.079 -4.260 7.266 1.00 0.00 C ATOM 1117 CD1 LEU A 148 17.774 -5.580 6.972 1.00 0.00 C ATOM 1118 CD2 LEU A 148 18.090 -3.125 7.331 1.00 0.00 C ATOM 0 H LEU A 148 13.719 -4.894 4.375 1.00 0.00 H new ATOM 0 HA LEU A 148 15.217 -5.922 6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 148 16.503 -3.896 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 148 15.574 -2.993 6.413 1.00 0.00 H new ATOM 0 HG LEU A 148 16.589 -4.339 8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 148 18.527 -5.773 7.736 1.00 0.00 H new ATOM 0 HD12 LEU A 148 17.040 -6.386 6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 148 18.253 -5.529 5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 148 18.839 -3.348 8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 148 18.577 -3.015 6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 148 17.579 -2.197 7.588 1.00 0.00 H new ATOM 1130 N LEU A 149 13.838 -3.823 7.961 1.00 0.00 N ATOM 1131 CA LEU A 149 12.722 -3.295 8.740 1.00 0.00 C ATOM 1132 C LEU A 149 11.845 -2.381 7.890 1.00 0.00 C ATOM 1133 O LEU A 149 12.189 -2.161 6.710 1.00 0.00 O ATOM 1134 CB LEU A 149 13.239 -2.540 9.972 1.00 0.00 C ATOM 1135 CG LEU A 149 13.854 -1.160 9.701 1.00 0.00 C ATOM 1136 CD1 LEU A 149 14.751 -1.197 8.473 1.00 0.00 C ATOM 1137 CD2 LEU A 149 12.763 -0.112 9.535 1.00 0.00 C ATOM 1138 OXT LEU A 149 10.820 -1.893 8.412 1.00 0.00 O ATOM 0 H LEU A 149 14.758 -3.627 8.355 1.00 0.00 H new ATOM 0 HA LEU A 149 12.114 -4.137 9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 149 12.413 -2.417 10.673 1.00 0.00 H new ATOM 0 HB3 LEU A 149 13.987 -3.159 10.467 1.00 0.00 H new ATOM 0 HG LEU A 149 14.467 -0.887 10.560 1.00 0.00 H new ATOM 0 HD11 LEU A 149 15.175 -0.207 8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 149 15.556 -1.914 8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 149 14.166 -1.496 7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 149 13.218 0.860 9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 149 12.122 -0.384 8.696 1.00 0.00 H new ATOM 0 HD23 LEU A 149 12.167 -0.060 10.446 1.00 0.00 H new TER 1150 LEU A 149 HETATM 1151 CA CA A 81 -2.595 1.784 3.862 1.00 0.33 CA