USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 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 25 SER OG : rot -72:sc= 0.0825 USER MOD Set 1.2: A 27 ASN : amide:sc= -3.31! X(o=-3.2!,f=-2.8) USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0.123 USER MOD Set 2.2: A 11 GLN : amide:sc= -0.52 K(o=-0.4,f=0.11) USER MOD Single : A 0 LYS NZ :NH3+ -156:sc= -0.278 (180deg=-1.04) USER MOD Single : A 1 SER OG : rot 180:sc= -1.68 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -37:sc= 0.759 USER MOD Single : A 7 SER OG : rot 180:sc= -0.307 USER MOD Single : A -2 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0153) USER MOD Single : A -3 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.603 X(o=-0.6,f=-0.57) USER MOD Single : A 23 LYS NZ :NH3+ -131:sc= -0.267 (180deg=-2.94!) USER MOD Single : A 24 GLN : amide:sc= -4.74! C(o=-4.7!,f=-4.3!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -143:sc= 0.229 (180deg=-0.00884) USER MOD Single : A 31 LYS NZ :NH3+ -135:sc= -0.366 (180deg=-1.1) USER MOD Single : A 36 LYS NZ :NH3+ 169:sc= -1.41 (180deg=-1.87) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -95:sc= -10.7! USER MOD Single : A 41 THR OG1 : rot 160:sc= -1.96 USER MOD Single : A 44 GLN : amide:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 173:sc= 0 (180deg=-0.0505) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A -3 3.987 -5.421 -16.273 1.00 0.00 N ATOM 2 CA LYS A -3 3.466 -5.586 -17.657 1.00 0.00 C ATOM 3 C LYS A -3 4.563 -6.055 -18.608 1.00 0.00 C ATOM 4 O LYS A -3 4.867 -5.391 -19.600 1.00 0.00 O ATOM 5 CB LYS A -3 2.892 -4.248 -18.131 1.00 0.00 C ATOM 6 CG LYS A -3 2.276 -4.311 -19.519 1.00 0.00 C ATOM 7 CD LYS A -3 1.233 -3.221 -19.717 1.00 0.00 C ATOM 8 CE LYS A -3 -0.177 -3.773 -19.593 1.00 0.00 C ATOM 9 NZ LYS A -3 -0.636 -4.413 -20.857 1.00 0.00 N ATOM 0 H1 LYS A -3 3.219 -5.101 -15.649 1.00 0.00 H new ATOM 0 H2 LYS A -3 4.356 -6.331 -15.930 1.00 0.00 H new ATOM 0 H3 LYS A -3 4.751 -4.715 -16.271 1.00 0.00 H new ATOM 0 HA LYS A -3 2.686 -6.347 -17.654 1.00 0.00 H new ATOM 0 HB2 LYS A -3 2.135 -3.914 -17.421 1.00 0.00 H new ATOM 0 HB3 LYS A -3 3.685 -3.500 -18.127 1.00 0.00 H new ATOM 0 HG2 LYS A -3 3.059 -4.208 -20.270 1.00 0.00 H new ATOM 0 HG3 LYS A -3 1.816 -5.288 -19.670 1.00 0.00 H new ATOM 0 HD2 LYS A -3 1.383 -2.433 -18.979 1.00 0.00 H new ATOM 0 HD3 LYS A -3 1.362 -2.766 -20.699 1.00 0.00 H new ATOM 0 HE2 LYS A -3 -0.212 -4.502 -18.784 1.00 0.00 H new ATOM 0 HE3 LYS A -3 -0.860 -2.967 -19.325 1.00 0.00 H new ATOM 0 HZ1 LYS A -3 -1.602 -4.777 -20.731 1.00 0.00 H new ATOM 0 HZ2 LYS A -3 -0.628 -3.711 -21.624 1.00 0.00 H new ATOM 0 HZ3 LYS A -3 0.001 -5.199 -21.099 1.00 0.00 H new ATOM 25 N LYS A -2 5.153 -7.205 -18.301 1.00 0.00 N ATOM 26 CA LYS A -2 6.215 -7.764 -19.128 1.00 0.00 C ATOM 27 C LYS A -2 7.404 -6.812 -19.206 1.00 0.00 C ATOM 28 O LYS A -2 8.081 -6.731 -20.231 1.00 0.00 O ATOM 29 CB LYS A -2 5.691 -8.057 -20.535 1.00 0.00 C ATOM 30 CG LYS A -2 4.554 -9.065 -20.562 1.00 0.00 C ATOM 31 CD LYS A -2 5.076 -10.493 -20.531 1.00 0.00 C ATOM 32 CE LYS A -2 3.940 -11.501 -20.567 1.00 0.00 C ATOM 33 NZ LYS A -2 3.189 -11.538 -19.281 1.00 0.00 N ATOM 0 H LYS A -2 4.913 -7.768 -17.485 1.00 0.00 H new ATOM 0 HA LYS A -2 6.547 -8.695 -18.668 1.00 0.00 H new ATOM 0 HB2 LYS A -2 5.351 -7.126 -20.988 1.00 0.00 H new ATOM 0 HB3 LYS A -2 6.511 -8.430 -21.149 1.00 0.00 H new ATOM 0 HG2 LYS A -2 3.897 -8.898 -19.708 1.00 0.00 H new ATOM 0 HG3 LYS A -2 3.954 -8.915 -21.460 1.00 0.00 H new ATOM 0 HD2 LYS A -2 5.738 -10.658 -21.381 1.00 0.00 H new ATOM 0 HD3 LYS A -2 5.670 -10.645 -19.630 1.00 0.00 H new ATOM 0 HE2 LYS A -2 3.257 -11.250 -21.379 1.00 0.00 H new ATOM 0 HE3 LYS A -2 4.340 -12.492 -20.782 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 2.478 -12.296 -19.316 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 3.850 -11.719 -18.498 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 2.715 -10.625 -19.130 1.00 0.00 H new ATOM 47 N GLU A -1 7.651 -6.092 -18.118 1.00 0.00 N ATOM 48 CA GLU A -1 8.758 -5.145 -18.063 1.00 0.00 C ATOM 49 C GLU A -1 9.149 -4.846 -16.620 1.00 0.00 C ATOM 50 O GLU A -1 10.197 -5.285 -16.147 1.00 0.00 O ATOM 51 CB GLU A -1 8.379 -3.849 -18.784 1.00 0.00 C ATOM 52 CG GLU A -1 9.415 -3.394 -19.799 1.00 0.00 C ATOM 53 CD GLU A -1 9.415 -4.246 -21.052 1.00 0.00 C ATOM 54 OE1 GLU A -1 8.658 -3.922 -21.991 1.00 0.00 O ATOM 55 OE2 GLU A -1 10.173 -5.238 -21.096 1.00 0.00 O ATOM 0 H GLU A -1 7.099 -6.146 -17.262 1.00 0.00 H new ATOM 0 HA GLU A -1 9.616 -5.594 -18.563 1.00 0.00 H new ATOM 0 HB2 GLU A -1 7.424 -3.990 -19.290 1.00 0.00 H new ATOM 0 HB3 GLU A -1 8.235 -3.060 -18.045 1.00 0.00 H new ATOM 0 HG2 GLU A -1 9.222 -2.356 -20.070 1.00 0.00 H new ATOM 0 HG3 GLU A -1 10.404 -3.426 -19.342 1.00 0.00 H new ATOM 62 N LYS A 0 8.299 -4.097 -15.923 1.00 0.00 N ATOM 63 CA LYS A 0 8.559 -3.741 -14.534 1.00 0.00 C ATOM 64 C LYS A 0 9.852 -2.941 -14.412 1.00 0.00 C ATOM 65 O LYS A 0 10.947 -3.495 -14.500 1.00 0.00 O ATOM 66 CB LYS A 0 8.642 -5.001 -13.671 1.00 0.00 C ATOM 67 CG LYS A 0 8.525 -4.729 -12.180 1.00 0.00 C ATOM 68 CD LYS A 0 8.019 -5.949 -11.429 1.00 0.00 C ATOM 69 CE LYS A 0 6.502 -6.040 -11.473 1.00 0.00 C ATOM 70 NZ LYS A 0 5.856 -4.814 -10.930 1.00 0.00 N ATOM 0 H LYS A 0 7.426 -3.726 -16.298 1.00 0.00 H new ATOM 0 HA LYS A 0 7.734 -3.121 -14.182 1.00 0.00 H new ATOM 0 HB2 LYS A 0 7.850 -5.688 -13.969 1.00 0.00 H new ATOM 0 HB3 LYS A 0 9.590 -5.503 -13.867 1.00 0.00 H new ATOM 0 HG2 LYS A 0 9.498 -4.435 -11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 0 7.847 -3.891 -12.014 1.00 0.00 H new ATOM 0 HD2 LYS A 0 8.451 -6.850 -11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 0 8.352 -5.903 -10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 0 6.177 -6.196 -12.502 1.00 0.00 H new ATOM 0 HE3 LYS A 0 6.174 -6.907 -10.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 0 4.898 -5.044 -10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 0 6.419 -4.448 -10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 0 5.800 -4.092 -11.676 1.00 0.00 H new ATOM 84 N SER A 1 9.716 -1.634 -14.210 1.00 0.00 N ATOM 85 CA SER A 1 10.874 -0.757 -14.076 1.00 0.00 C ATOM 86 C SER A 1 10.444 0.688 -13.824 1.00 0.00 C ATOM 87 O SER A 1 10.770 1.266 -12.788 1.00 0.00 O ATOM 88 CB SER A 1 11.750 -0.832 -15.331 1.00 0.00 C ATOM 89 OG SER A 1 11.062 -1.463 -16.398 1.00 0.00 O ATOM 0 H SER A 1 8.816 -1.159 -14.136 1.00 0.00 H new ATOM 0 HA SER A 1 11.453 -1.097 -13.217 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.048 0.173 -15.630 1.00 0.00 H new ATOM 0 HB3 SER A 1 12.664 -1.382 -15.108 1.00 0.00 H new ATOM 0 HG SER A 1 11.642 -1.497 -17.187 1.00 0.00 H new ATOM 95 N PRO A 2 9.704 1.293 -14.772 1.00 0.00 N ATOM 96 CA PRO A 2 9.235 2.677 -14.640 1.00 0.00 C ATOM 97 C PRO A 2 8.199 2.834 -13.530 1.00 0.00 C ATOM 98 O PRO A 2 8.032 1.946 -12.695 1.00 0.00 O ATOM 99 CB PRO A 2 8.609 2.974 -16.007 1.00 0.00 C ATOM 100 CG PRO A 2 8.226 1.640 -16.545 1.00 0.00 C ATOM 101 CD PRO A 2 9.267 0.680 -16.042 1.00 0.00 C ATOM 0 HA PRO A 2 10.043 3.358 -14.372 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.741 3.627 -15.912 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.316 3.478 -16.665 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.232 1.352 -16.204 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.199 1.651 -17.635 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.854 -0.317 -15.887 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.094 0.577 -16.745 1.00 0.00 H new ATOM 109 N LYS A 3 7.507 3.970 -13.529 1.00 0.00 N ATOM 110 CA LYS A 3 6.486 4.249 -12.524 1.00 0.00 C ATOM 111 C LYS A 3 7.115 4.449 -11.149 1.00 0.00 C ATOM 112 O LYS A 3 7.287 3.496 -10.388 1.00 0.00 O ATOM 113 CB LYS A 3 5.461 3.113 -12.468 1.00 0.00 C ATOM 114 CG LYS A 3 4.205 3.466 -11.685 1.00 0.00 C ATOM 115 CD LYS A 3 3.997 2.528 -10.506 1.00 0.00 C ATOM 116 CE LYS A 3 3.032 1.405 -10.852 1.00 0.00 C ATOM 117 NZ LYS A 3 3.167 0.250 -9.922 1.00 0.00 N ATOM 0 H LYS A 3 7.635 4.714 -14.215 1.00 0.00 H new ATOM 0 HA LYS A 3 5.978 5.170 -12.811 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.180 2.837 -13.485 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.926 2.237 -12.017 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.276 4.493 -11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.339 3.419 -12.345 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.955 2.106 -10.202 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.612 3.091 -9.655 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.010 1.781 -10.817 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.214 1.072 -11.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.492 -0.494 -10.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.135 -0.126 -9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.968 0.562 -8.950 1.00 0.00 H new ATOM 131 N GLY A 4 7.453 5.696 -10.835 1.00 0.00 N ATOM 132 CA GLY A 4 8.058 6.002 -9.552 1.00 0.00 C ATOM 133 C GLY A 4 9.502 5.549 -9.462 1.00 0.00 C ATOM 134 O GLY A 4 9.918 4.636 -10.175 1.00 0.00 O ATOM 0 H GLY A 4 7.318 6.501 -11.447 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.007 7.077 -9.378 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.482 5.524 -8.760 1.00 0.00 H new ATOM 138 N LYS A 5 10.267 6.191 -8.584 1.00 0.00 N ATOM 139 CA LYS A 5 11.674 5.849 -8.403 1.00 0.00 C ATOM 140 C LYS A 5 12.037 5.807 -6.922 1.00 0.00 C ATOM 141 O LYS A 5 11.368 6.421 -6.091 1.00 0.00 O ATOM 142 CB LYS A 5 12.566 6.857 -9.131 1.00 0.00 C ATOM 143 CG LYS A 5 12.167 7.089 -10.580 1.00 0.00 C ATOM 144 CD LYS A 5 11.344 8.356 -10.737 1.00 0.00 C ATOM 145 CE LYS A 5 10.552 8.350 -12.034 1.00 0.00 C ATOM 146 NZ LYS A 5 11.326 8.937 -13.162 1.00 0.00 N ATOM 0 H LYS A 5 9.937 6.950 -7.988 1.00 0.00 H new ATOM 0 HA LYS A 5 11.838 4.859 -8.828 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.536 7.807 -8.598 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.598 6.506 -9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.062 7.157 -11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.594 6.235 -10.941 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.661 8.454 -9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.003 9.224 -10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.270 7.327 -12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.628 8.912 -11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.750 8.914 -14.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.574 9.922 -12.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.196 8.386 -13.310 1.00 0.00 H new ATOM 160 N SER A 6 13.101 5.079 -6.599 1.00 0.00 N ATOM 161 CA SER A 6 13.556 4.956 -5.218 1.00 0.00 C ATOM 162 C SER A 6 12.452 4.387 -4.330 1.00 0.00 C ATOM 163 O SER A 6 12.193 4.895 -3.239 1.00 0.00 O ATOM 164 CB SER A 6 14.010 6.317 -4.683 1.00 0.00 C ATOM 165 OG SER A 6 12.911 7.071 -4.201 1.00 0.00 O ATOM 0 H SER A 6 13.665 4.565 -7.275 1.00 0.00 H new ATOM 0 HA SER A 6 14.402 4.268 -5.200 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.735 6.172 -3.882 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.516 6.871 -5.474 1.00 0.00 H new ATOM 0 HG SER A 6 12.132 6.916 -4.775 1.00 0.00 H new ATOM 171 N SER A 7 11.804 3.328 -4.805 1.00 0.00 N ATOM 172 CA SER A 7 10.729 2.692 -4.051 1.00 0.00 C ATOM 173 C SER A 7 11.252 2.122 -2.737 1.00 0.00 C ATOM 174 O SER A 7 12.460 1.989 -2.544 1.00 0.00 O ATOM 175 CB SER A 7 10.080 1.582 -4.880 1.00 0.00 C ATOM 176 OG SER A 7 9.155 0.840 -4.105 1.00 0.00 O ATOM 0 H SER A 7 12.004 2.893 -5.706 1.00 0.00 H new ATOM 0 HA SER A 7 9.979 3.451 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.572 2.017 -5.741 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.851 0.916 -5.268 1.00 0.00 H new ATOM 0 HG SER A 7 8.753 0.138 -4.659 1.00 0.00 H new ATOM 182 N ILE A 8 10.333 1.788 -1.837 1.00 0.00 N ATOM 183 CA ILE A 8 10.701 1.234 -0.541 1.00 0.00 C ATOM 184 C ILE A 8 11.431 -0.097 -0.700 1.00 0.00 C ATOM 185 O ILE A 8 11.421 -0.698 -1.774 1.00 0.00 O ATOM 186 CB ILE A 8 9.456 1.038 0.359 1.00 0.00 C ATOM 187 CG1 ILE A 8 9.863 1.023 1.833 1.00 0.00 C ATOM 188 CG2 ILE A 8 8.710 -0.242 -0.003 1.00 0.00 C ATOM 189 CD1 ILE A 8 8.752 1.451 2.767 1.00 0.00 C ATOM 0 H ILE A 8 9.329 1.892 -1.982 1.00 0.00 H new ATOM 0 HA ILE A 8 11.370 1.950 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 8 8.781 1.877 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.187 0.018 2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.719 1.683 1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.841 -0.352 0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.383 -0.191 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.372 -1.098 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.109 1.417 3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.443 2.467 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.903 0.777 2.655 1.00 0.00 H new ATOM 201 N SER A 9 12.051 -0.556 0.382 1.00 0.00 N ATOM 202 CA SER A 9 12.775 -1.823 0.379 1.00 0.00 C ATOM 203 C SER A 9 11.866 -2.948 -0.128 1.00 0.00 C ATOM 204 O SER A 9 10.721 -2.694 -0.501 1.00 0.00 O ATOM 205 CB SER A 9 13.271 -2.129 1.797 1.00 0.00 C ATOM 206 OG SER A 9 13.006 -1.049 2.676 1.00 0.00 O ATOM 0 H SER A 9 12.067 -0.067 1.277 1.00 0.00 H new ATOM 0 HA SER A 9 13.633 -1.750 -0.289 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.785 -3.031 2.168 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.342 -2.329 1.775 1.00 0.00 H new ATOM 0 HG SER A 9 13.331 -1.271 3.574 1.00 0.00 H new ATOM 212 N PRO A 10 12.335 -4.213 -0.136 1.00 0.00 N ATOM 213 CA PRO A 10 11.514 -5.342 -0.586 1.00 0.00 C ATOM 214 C PRO A 10 10.160 -5.343 0.108 1.00 0.00 C ATOM 215 O PRO A 10 9.177 -5.874 -0.409 1.00 0.00 O ATOM 216 CB PRO A 10 12.333 -6.578 -0.185 1.00 0.00 C ATOM 217 CG PRO A 10 13.371 -6.066 0.754 1.00 0.00 C ATOM 218 CD PRO A 10 13.660 -4.665 0.308 1.00 0.00 C ATOM 0 HA PRO A 10 11.302 -5.305 -1.655 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.705 -7.329 0.293 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.787 -7.050 -1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.012 -6.084 1.783 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.270 -6.682 0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.052 -4.050 1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.394 -4.635 -0.498 1.00 0.00 H new ATOM 226 N GLN A 11 10.123 -4.721 1.284 1.00 0.00 N ATOM 227 CA GLN A 11 8.904 -4.613 2.069 1.00 0.00 C ATOM 228 C GLN A 11 7.754 -4.100 1.215 1.00 0.00 C ATOM 229 O GLN A 11 6.598 -4.385 1.494 1.00 0.00 O ATOM 230 CB GLN A 11 9.133 -3.677 3.254 1.00 0.00 C ATOM 231 CG GLN A 11 10.145 -4.205 4.259 1.00 0.00 C ATOM 232 CD GLN A 11 11.204 -3.180 4.626 1.00 0.00 C ATOM 233 OE1 GLN A 11 12.365 -3.524 4.845 1.00 0.00 O ATOM 234 NE2 GLN A 11 10.810 -1.912 4.691 1.00 0.00 N ATOM 0 H GLN A 11 10.936 -4.280 1.715 1.00 0.00 H new ATOM 0 HA GLN A 11 8.641 -5.605 2.437 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.473 -2.710 2.882 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.183 -3.508 3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.622 -4.519 5.162 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.630 -5.090 3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.837 -1.670 4.502 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.480 -1.181 4.930 1.00 0.00 H new ATOM 243 N ALA A 12 8.071 -3.351 0.164 1.00 0.00 N ATOM 244 CA ALA A 12 7.038 -2.826 -0.724 1.00 0.00 C ATOM 245 C ALA A 12 5.980 -3.894 -0.985 1.00 0.00 C ATOM 246 O ALA A 12 4.805 -3.724 -0.658 1.00 0.00 O ATOM 247 CB ALA A 12 7.656 -2.356 -2.031 1.00 0.00 C ATOM 0 H ALA A 12 9.024 -3.095 -0.093 1.00 0.00 H new ATOM 0 HA ALA A 12 6.560 -1.973 -0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.875 -1.967 -2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.384 -1.570 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.154 -3.193 -2.520 1.00 0.00 H new ATOM 253 N ARG A 13 6.427 -5.008 -1.550 1.00 0.00 N ATOM 254 CA ARG A 13 5.551 -6.132 -1.838 1.00 0.00 C ATOM 255 C ARG A 13 5.353 -6.989 -0.591 1.00 0.00 C ATOM 256 O ARG A 13 4.289 -7.567 -0.389 1.00 0.00 O ATOM 257 CB ARG A 13 6.148 -6.988 -2.954 1.00 0.00 C ATOM 258 CG ARG A 13 7.421 -7.711 -2.535 1.00 0.00 C ATOM 259 CD ARG A 13 8.424 -7.800 -3.674 1.00 0.00 C ATOM 260 NE ARG A 13 8.740 -9.183 -4.019 1.00 0.00 N ATOM 261 CZ ARG A 13 7.945 -9.966 -4.745 1.00 0.00 C ATOM 262 NH1 ARG A 13 6.791 -9.502 -5.208 1.00 0.00 N ATOM 263 NH2 ARG A 13 8.306 -11.214 -5.009 1.00 0.00 N ATOM 0 H ARG A 13 7.400 -5.156 -1.819 1.00 0.00 H new ATOM 0 HA ARG A 13 4.585 -5.742 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.409 -7.722 -3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.363 -6.354 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.874 -7.189 -1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.172 -8.715 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.023 -7.290 -4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.339 -7.279 -3.393 1.00 0.00 H new ATOM 0 HE ARG A 13 9.621 -9.572 -3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.510 -8.542 -5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.185 -10.105 -5.764 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.193 -11.574 -4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.697 -11.814 -5.565 1.00 0.00 H new ATOM 277 N ALA A 14 6.398 -7.076 0.231 1.00 0.00 N ATOM 278 CA ALA A 14 6.350 -7.875 1.450 1.00 0.00 C ATOM 279 C ALA A 14 5.334 -7.319 2.437 1.00 0.00 C ATOM 280 O ALA A 14 4.396 -8.010 2.835 1.00 0.00 O ATOM 281 CB ALA A 14 7.729 -7.946 2.088 1.00 0.00 C ATOM 0 H ALA A 14 7.287 -6.602 0.073 1.00 0.00 H new ATOM 0 HA ALA A 14 6.034 -8.883 1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.679 -8.545 2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.430 -8.404 1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.068 -6.940 2.335 1.00 0.00 H new ATOM 287 N PHE A 15 5.516 -6.062 2.826 1.00 0.00 N ATOM 288 CA PHE A 15 4.607 -5.421 3.756 1.00 0.00 C ATOM 289 C PHE A 15 3.192 -5.449 3.197 1.00 0.00 C ATOM 290 O PHE A 15 2.244 -5.780 3.905 1.00 0.00 O ATOM 291 CB PHE A 15 5.074 -3.984 4.077 1.00 0.00 C ATOM 292 CG PHE A 15 4.588 -2.904 3.135 1.00 0.00 C ATOM 293 CD1 PHE A 15 3.237 -2.618 3.007 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.492 -2.167 2.387 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.800 -1.627 2.150 1.00 0.00 C ATOM 296 CE2 PHE A 15 5.060 -1.172 1.529 1.00 0.00 C ATOM 297 CZ PHE A 15 3.712 -0.904 1.410 1.00 0.00 C ATOM 0 H PHE A 15 6.285 -5.471 2.510 1.00 0.00 H new ATOM 0 HA PHE A 15 4.608 -5.972 4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.746 -3.733 5.086 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.164 -3.970 4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.517 -3.178 3.585 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.549 -2.372 2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.744 -1.418 2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.777 -0.606 0.953 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.372 -0.130 0.739 1.00 0.00 H new ATOM 307 N LEU A 16 3.059 -5.118 1.918 1.00 0.00 N ATOM 308 CA LEU A 16 1.757 -5.125 1.266 1.00 0.00 C ATOM 309 C LEU A 16 1.240 -6.551 1.154 1.00 0.00 C ATOM 310 O LEU A 16 0.044 -6.805 1.295 1.00 0.00 O ATOM 311 CB LEU A 16 1.849 -4.488 -0.118 1.00 0.00 C ATOM 312 CG LEU A 16 0.556 -3.860 -0.637 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.628 -4.793 -0.427 1.00 0.00 C ATOM 314 CD2 LEU A 16 0.316 -2.525 0.045 1.00 0.00 C ATOM 0 H LEU A 16 3.834 -4.843 1.315 1.00 0.00 H new ATOM 0 HA LEU A 16 1.061 -4.541 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.622 -3.720 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.175 -5.248 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 16 0.660 -3.693 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.535 -4.321 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.455 -5.727 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.744 -5.000 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.608 -2.085 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.234 -2.676 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.149 -1.854 -0.165 1.00 0.00 H new ATOM 326 N GLU A 17 2.159 -7.482 0.917 1.00 0.00 N ATOM 327 CA GLU A 17 1.810 -8.892 0.806 1.00 0.00 C ATOM 328 C GLU A 17 0.958 -9.304 1.995 1.00 0.00 C ATOM 329 O GLU A 17 -0.224 -9.612 1.851 1.00 0.00 O ATOM 330 CB GLU A 17 3.080 -9.748 0.737 1.00 0.00 C ATOM 331 CG GLU A 17 3.380 -10.283 -0.654 1.00 0.00 C ATOM 332 CD GLU A 17 4.867 -10.384 -0.930 1.00 0.00 C ATOM 333 OE1 GLU A 17 5.614 -10.799 -0.019 1.00 0.00 O ATOM 334 OE2 GLU A 17 5.286 -10.047 -2.058 1.00 0.00 O ATOM 0 H GLU A 17 3.152 -7.284 0.798 1.00 0.00 H new ATOM 0 HA GLU A 17 1.239 -9.048 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.927 -9.154 1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.980 -10.587 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.925 -11.267 -0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.919 -9.632 -1.397 1.00 0.00 H new ATOM 341 N GLN A 18 1.567 -9.282 3.173 1.00 0.00 N ATOM 342 CA GLN A 18 0.870 -9.631 4.404 1.00 0.00 C ATOM 343 C GLN A 18 -0.334 -8.715 4.615 1.00 0.00 C ATOM 344 O GLN A 18 -1.372 -9.143 5.120 1.00 0.00 O ATOM 345 CB GLN A 18 1.824 -9.544 5.599 1.00 0.00 C ATOM 346 CG GLN A 18 2.772 -8.353 5.549 1.00 0.00 C ATOM 347 CD GLN A 18 2.632 -7.446 6.757 1.00 0.00 C ATOM 348 OE1 GLN A 18 2.547 -7.914 7.892 1.00 0.00 O ATOM 349 NE2 GLN A 18 2.605 -6.140 6.518 1.00 0.00 N ATOM 0 H GLN A 18 2.546 -9.025 3.302 1.00 0.00 H new ATOM 0 HA GLN A 18 0.512 -10.657 4.320 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.237 -9.490 6.516 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.411 -10.461 5.650 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.799 -8.713 5.486 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.580 -7.778 4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.679 -5.795 5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.511 -5.482 7.292 1.00 0.00 H new ATOM 358 N VAL A 19 -0.194 -7.454 4.208 1.00 0.00 N ATOM 359 CA VAL A 19 -1.275 -6.479 4.336 1.00 0.00 C ATOM 360 C VAL A 19 -2.515 -6.964 3.589 1.00 0.00 C ATOM 361 O VAL A 19 -3.581 -7.141 4.178 1.00 0.00 O ATOM 362 CB VAL A 19 -0.844 -5.096 3.786 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.035 -4.172 3.573 1.00 0.00 C ATOM 364 CG2 VAL A 19 0.161 -4.444 4.719 1.00 0.00 C ATOM 0 H VAL A 19 0.658 -7.084 3.787 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.509 -6.374 5.395 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.378 -5.264 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.688 -3.214 3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.723 -4.624 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.549 -4.016 4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.453 -3.474 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.289 -4.310 5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.042 -5.080 4.807 1.00 0.00 H new ATOM 374 N PHE A 20 -2.358 -7.183 2.289 1.00 0.00 N ATOM 375 CA PHE A 20 -3.454 -7.655 1.450 1.00 0.00 C ATOM 376 C PHE A 20 -3.818 -9.103 1.781 1.00 0.00 C ATOM 377 O PHE A 20 -4.858 -9.602 1.354 1.00 0.00 O ATOM 378 CB PHE A 20 -3.066 -7.541 -0.026 1.00 0.00 C ATOM 379 CG PHE A 20 -4.204 -7.782 -0.984 1.00 0.00 C ATOM 380 CD1 PHE A 20 -5.505 -7.437 -0.648 1.00 0.00 C ATOM 381 CD2 PHE A 20 -3.967 -8.352 -2.225 1.00 0.00 C ATOM 382 CE1 PHE A 20 -6.545 -7.657 -1.531 1.00 0.00 C ATOM 383 CE2 PHE A 20 -5.004 -8.573 -3.112 1.00 0.00 C ATOM 384 CZ PHE A 20 -6.294 -8.225 -2.763 1.00 0.00 C ATOM 0 H PHE A 20 -1.479 -7.041 1.791 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.326 -7.031 1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.658 -6.547 -0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.270 -8.256 -0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.707 -6.991 0.315 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.960 -8.627 -2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.553 -7.385 -1.257 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.806 -9.017 -4.076 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.106 -8.397 -3.454 1.00 0.00 H new ATOM 394 N ARG A 21 -2.956 -9.775 2.542 1.00 0.00 N ATOM 395 CA ARG A 21 -3.194 -11.162 2.923 1.00 0.00 C ATOM 396 C ARG A 21 -4.079 -11.243 4.162 1.00 0.00 C ATOM 397 O ARG A 21 -4.927 -12.127 4.275 1.00 0.00 O ATOM 398 CB ARG A 21 -1.865 -11.873 3.184 1.00 0.00 C ATOM 399 CG ARG A 21 -1.779 -13.254 2.556 1.00 0.00 C ATOM 400 CD ARG A 21 -0.625 -13.346 1.570 1.00 0.00 C ATOM 401 NE ARG A 21 -0.007 -14.670 1.573 1.00 0.00 N ATOM 402 CZ ARG A 21 0.911 -15.059 2.455 1.00 0.00 C ATOM 403 NH1 ARG A 21 1.325 -14.227 3.403 1.00 0.00 N ATOM 404 NH2 ARG A 21 1.418 -16.282 2.387 1.00 0.00 N ATOM 0 H ARG A 21 -2.088 -9.380 2.905 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.709 -11.656 2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.052 -11.257 2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.716 -11.963 4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.652 -14.003 3.338 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.715 -13.482 2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.986 -13.116 0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.125 -12.595 1.819 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.296 -15.336 0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.939 -13.284 3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.029 -14.530 4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.105 -16.924 1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.121 -16.581 3.062 1.00 0.00 H new ATOM 418 N ARG A 22 -3.874 -10.312 5.089 1.00 0.00 N ATOM 419 CA ARG A 22 -4.652 -10.271 6.320 1.00 0.00 C ATOM 420 C ARG A 22 -6.127 -10.041 6.016 1.00 0.00 C ATOM 421 O ARG A 22 -7.007 -10.598 6.673 1.00 0.00 O ATOM 422 CB ARG A 22 -4.132 -9.157 7.227 1.00 0.00 C ATOM 423 CG ARG A 22 -2.798 -9.475 7.882 1.00 0.00 C ATOM 424 CD ARG A 22 -2.921 -10.620 8.873 1.00 0.00 C ATOM 425 NE ARG A 22 -1.658 -10.893 9.556 1.00 0.00 N ATOM 426 CZ ARG A 22 -1.333 -12.076 10.074 1.00 0.00 C ATOM 427 NH1 ARG A 22 -2.178 -13.097 10.000 1.00 0.00 N ATOM 428 NH2 ARG A 22 -0.160 -12.236 10.672 1.00 0.00 N ATOM 0 H ARG A 22 -3.174 -9.575 5.009 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.546 -11.230 6.827 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.031 -8.242 6.643 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.870 -8.959 8.004 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.068 -9.734 7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.423 -8.589 8.394 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.687 -10.380 9.610 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.252 -11.518 8.350 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.985 -10.131 9.641 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.083 -12.978 9.544 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.923 -14.000 10.399 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.491 -11.454 10.735 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.091 -13.141 11.069 1.00 0.00 H new ATOM 442 N LYS A 23 -6.382 -9.216 5.010 1.00 0.00 N ATOM 443 CA LYS A 23 -7.743 -8.898 4.596 1.00 0.00 C ATOM 444 C LYS A 23 -7.756 -8.356 3.171 1.00 0.00 C ATOM 445 O LYS A 23 -6.784 -8.502 2.429 1.00 0.00 O ATOM 446 CB LYS A 23 -8.390 -7.883 5.559 1.00 0.00 C ATOM 447 CG LYS A 23 -8.029 -6.433 5.277 1.00 0.00 C ATOM 448 CD LYS A 23 -6.550 -6.276 5.006 1.00 0.00 C ATOM 449 CE LYS A 23 -5.975 -5.063 5.716 1.00 0.00 C ATOM 450 NZ LYS A 23 -5.509 -5.395 7.092 1.00 0.00 N ATOM 0 H LYS A 23 -5.659 -8.751 4.461 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.327 -9.818 4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.473 -7.992 5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.093 -8.127 6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.598 -6.075 4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.312 -5.814 6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.023 -7.173 5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.385 -6.182 3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.142 -4.664 5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.731 -4.280 5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.890 -4.699 7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.842 -6.346 7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.470 -5.372 7.121 1.00 0.00 H new ATOM 464 N GLN A 24 -8.868 -7.744 2.792 1.00 0.00 N ATOM 465 CA GLN A 24 -9.024 -7.192 1.453 1.00 0.00 C ATOM 466 C GLN A 24 -9.697 -5.822 1.468 1.00 0.00 C ATOM 467 O GLN A 24 -9.599 -5.067 0.502 1.00 0.00 O ATOM 468 CB GLN A 24 -9.866 -8.143 0.607 1.00 0.00 C ATOM 469 CG GLN A 24 -9.424 -9.593 0.700 1.00 0.00 C ATOM 470 CD GLN A 24 -8.241 -9.904 -0.196 1.00 0.00 C ATOM 471 OE1 GLN A 24 -8.315 -9.752 -1.415 1.00 0.00 O ATOM 472 NE2 GLN A 24 -7.143 -10.345 0.407 1.00 0.00 N ATOM 0 H GLN A 24 -9.680 -7.616 3.396 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.026 -7.074 1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.908 -8.069 0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.822 -7.825 -0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.162 -9.823 1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.258 -10.241 0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.127 -10.456 1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.315 -10.573 -0.144 1.00 0.00 H new ATOM 481 N SER A 25 -10.410 -5.518 2.545 1.00 0.00 N ATOM 482 CA SER A 25 -11.130 -4.257 2.648 1.00 0.00 C ATOM 483 C SER A 25 -10.423 -3.242 3.540 1.00 0.00 C ATOM 484 O SER A 25 -10.860 -2.974 4.659 1.00 0.00 O ATOM 485 CB SER A 25 -12.541 -4.519 3.162 1.00 0.00 C ATOM 486 OG SER A 25 -13.297 -3.321 3.222 1.00 0.00 O ATOM 0 H SER A 25 -10.505 -6.127 3.358 1.00 0.00 H new ATOM 0 HA SER A 25 -11.168 -3.820 1.650 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.041 -5.235 2.510 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.492 -4.971 4.153 1.00 0.00 H new ATOM 0 HG SER A 25 -12.970 -2.764 3.959 1.00 0.00 H new ATOM 492 N LEU A 26 -9.345 -2.663 3.030 1.00 0.00 N ATOM 493 CA LEU A 26 -8.599 -1.656 3.776 1.00 0.00 C ATOM 494 C LEU A 26 -9.395 -0.359 3.856 1.00 0.00 C ATOM 495 O LEU A 26 -9.375 0.446 2.925 1.00 0.00 O ATOM 496 CB LEU A 26 -7.247 -1.373 3.111 1.00 0.00 C ATOM 497 CG LEU A 26 -6.194 -2.479 3.227 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.363 -2.298 4.491 1.00 0.00 C ATOM 499 CD2 LEU A 26 -6.842 -3.855 3.206 1.00 0.00 C ATOM 0 H LEU A 26 -8.967 -2.872 2.106 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.428 -2.044 4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.420 -1.174 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.836 -0.461 3.544 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.532 -2.405 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.621 -3.093 4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.858 -1.332 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.015 -2.338 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.071 -4.621 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.535 -3.944 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.385 -3.987 2.270 1.00 0.00 H new ATOM 511 N ASN A 27 -10.092 -0.153 4.967 1.00 0.00 N ATOM 512 CA ASN A 27 -10.882 1.062 5.142 1.00 0.00 C ATOM 513 C ASN A 27 -10.028 2.162 5.758 1.00 0.00 C ATOM 514 O ASN A 27 -8.896 1.918 6.166 1.00 0.00 O ATOM 515 CB ASN A 27 -12.127 0.813 6.013 1.00 0.00 C ATOM 516 CG ASN A 27 -12.177 -0.579 6.617 1.00 0.00 C ATOM 517 OD1 ASN A 27 -12.554 -1.544 5.952 1.00 0.00 O ATOM 518 ND2 ASN A 27 -11.795 -0.688 7.884 1.00 0.00 N ATOM 0 H ASN A 27 -10.127 -0.803 5.753 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.222 1.377 4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.152 1.550 6.816 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.020 0.970 5.409 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.807 -1.598 8.344 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.490 0.139 8.398 1.00 0.00 H new ATOM 525 N SER A 28 -10.575 3.372 5.825 1.00 0.00 N ATOM 526 CA SER A 28 -9.856 4.509 6.398 1.00 0.00 C ATOM 527 C SER A 28 -9.163 4.111 7.698 1.00 0.00 C ATOM 528 O SER A 28 -8.106 4.641 8.042 1.00 0.00 O ATOM 529 CB SER A 28 -10.817 5.671 6.653 1.00 0.00 C ATOM 530 OG SER A 28 -10.133 6.912 6.637 1.00 0.00 O ATOM 0 H SER A 28 -11.513 3.592 5.490 1.00 0.00 H new ATOM 0 HA SER A 28 -9.097 4.827 5.683 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.599 5.674 5.894 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.309 5.536 7.616 1.00 0.00 H new ATOM 0 HG SER A 28 -10.770 7.639 6.801 1.00 0.00 H new ATOM 536 N LYS A 29 -9.769 3.169 8.410 1.00 0.00 N ATOM 537 CA LYS A 29 -9.224 2.684 9.667 1.00 0.00 C ATOM 538 C LYS A 29 -8.081 1.707 9.421 1.00 0.00 C ATOM 539 O LYS A 29 -7.003 1.841 9.995 1.00 0.00 O ATOM 540 CB LYS A 29 -10.323 1.999 10.477 1.00 0.00 C ATOM 541 CG LYS A 29 -11.330 2.959 11.095 1.00 0.00 C ATOM 542 CD LYS A 29 -10.644 4.118 11.803 1.00 0.00 C ATOM 543 CE LYS A 29 -10.673 5.379 10.955 1.00 0.00 C ATOM 544 NZ LYS A 29 -10.584 6.611 11.788 1.00 0.00 N ATOM 0 H LYS A 29 -10.644 2.724 8.134 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.836 3.536 10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.853 1.300 9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.862 1.412 11.271 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.988 3.346 10.317 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.958 2.420 11.804 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.137 4.307 12.757 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.611 3.851 12.026 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.845 5.359 10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.592 5.402 10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.187 7.352 11.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.905 6.400 12.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.598 6.941 11.815 1.00 0.00 H new ATOM 558 N GLU A 30 -8.324 0.730 8.558 1.00 0.00 N ATOM 559 CA GLU A 30 -7.319 -0.265 8.229 1.00 0.00 C ATOM 560 C GLU A 30 -6.198 0.376 7.440 1.00 0.00 C ATOM 561 O GLU A 30 -5.033 0.106 7.671 1.00 0.00 O ATOM 562 CB GLU A 30 -7.932 -1.405 7.417 1.00 0.00 C ATOM 563 CG GLU A 30 -9.117 -2.073 8.093 1.00 0.00 C ATOM 564 CD GLU A 30 -8.870 -3.539 8.394 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.934 -3.838 9.164 1.00 0.00 O ATOM 566 OE2 GLU A 30 -9.614 -4.388 7.860 1.00 0.00 O ATOM 0 H GLU A 30 -9.213 0.607 8.073 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.922 -0.673 9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.249 -1.019 6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.165 -2.155 7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.343 -1.549 9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.995 -1.981 7.453 1.00 0.00 H new ATOM 573 N LYS A 31 -6.561 1.239 6.510 1.00 0.00 N ATOM 574 CA LYS A 31 -5.581 1.928 5.697 1.00 0.00 C ATOM 575 C LYS A 31 -4.612 2.708 6.583 1.00 0.00 C ATOM 576 O LYS A 31 -3.427 2.809 6.283 1.00 0.00 O ATOM 577 CB LYS A 31 -6.296 2.861 4.718 1.00 0.00 C ATOM 578 CG LYS A 31 -6.470 4.278 5.235 1.00 0.00 C ATOM 579 CD LYS A 31 -7.100 5.177 4.189 1.00 0.00 C ATOM 580 CE LYS A 31 -7.510 6.516 4.780 1.00 0.00 C ATOM 581 NZ LYS A 31 -6.436 7.537 4.638 1.00 0.00 N ATOM 0 H LYS A 31 -7.530 1.479 6.300 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.004 1.198 5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.734 2.892 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.277 2.446 4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.093 4.266 6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.501 4.682 5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.395 5.338 3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.973 4.684 3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.415 6.869 4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.753 6.388 5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.326 8.052 5.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.540 7.067 4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.691 8.206 3.884 1.00 0.00 H new ATOM 595 N GLU A 32 -5.129 3.251 7.681 1.00 0.00 N ATOM 596 CA GLU A 32 -4.309 4.019 8.612 1.00 0.00 C ATOM 597 C GLU A 32 -3.696 3.103 9.669 1.00 0.00 C ATOM 598 O GLU A 32 -2.550 3.288 10.081 1.00 0.00 O ATOM 599 CB GLU A 32 -5.150 5.115 9.274 1.00 0.00 C ATOM 600 CG GLU A 32 -6.110 4.607 10.341 1.00 0.00 C ATOM 601 CD GLU A 32 -6.701 5.729 11.172 1.00 0.00 C ATOM 602 OE1 GLU A 32 -6.020 6.194 12.111 1.00 0.00 O ATOM 603 OE2 GLU A 32 -7.843 6.143 10.885 1.00 0.00 O ATOM 0 H GLU A 32 -6.110 3.174 7.948 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.498 4.489 8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.481 5.849 9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.722 5.633 8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.916 4.049 9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.585 3.912 10.996 1.00 0.00 H new ATOM 610 N GLU A 33 -4.472 2.114 10.096 1.00 0.00 N ATOM 611 CA GLU A 33 -4.027 1.156 11.098 1.00 0.00 C ATOM 612 C GLU A 33 -3.018 0.183 10.499 1.00 0.00 C ATOM 613 O GLU A 33 -2.071 -0.239 11.161 1.00 0.00 O ATOM 614 CB GLU A 33 -5.236 0.391 11.637 1.00 0.00 C ATOM 615 CG GLU A 33 -6.180 1.248 12.462 1.00 0.00 C ATOM 616 CD GLU A 33 -5.927 1.130 13.952 1.00 0.00 C ATOM 617 OE1 GLU A 33 -5.541 0.031 14.403 1.00 0.00 O ATOM 618 OE2 GLU A 33 -6.114 2.136 14.669 1.00 0.00 O ATOM 0 H GLU A 33 -5.422 1.955 9.759 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.541 1.693 11.913 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.786 -0.038 10.800 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.886 -0.441 12.248 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.074 2.290 12.161 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.209 0.957 12.248 1.00 0.00 H new ATOM 625 N VAL A 34 -3.237 -0.156 9.236 1.00 0.00 N ATOM 626 CA VAL A 34 -2.369 -1.070 8.506 1.00 0.00 C ATOM 627 C VAL A 34 -1.120 -0.343 8.027 1.00 0.00 C ATOM 628 O VAL A 34 -0.022 -0.895 8.043 1.00 0.00 O ATOM 629 CB VAL A 34 -3.112 -1.691 7.295 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.184 -2.546 6.444 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.303 -2.512 7.770 1.00 0.00 C ATOM 0 H VAL A 34 -4.022 0.195 8.688 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.079 -1.873 9.184 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.470 -0.872 6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.741 -2.964 5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.367 -1.931 6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.778 -3.356 7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.815 -2.942 6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.956 -3.313 8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.992 -1.870 8.319 1.00 0.00 H new ATOM 641 N ALA A 35 -1.298 0.902 7.603 1.00 0.00 N ATOM 642 CA ALA A 35 -0.181 1.706 7.123 1.00 0.00 C ATOM 643 C ALA A 35 0.852 1.939 8.222 1.00 0.00 C ATOM 644 O ALA A 35 2.051 2.008 7.958 1.00 0.00 O ATOM 645 CB ALA A 35 -0.678 3.034 6.581 1.00 0.00 C ATOM 0 H ALA A 35 -2.201 1.375 7.582 1.00 0.00 H new ATOM 0 HA ALA A 35 0.303 1.153 6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.169 3.622 6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.367 2.855 5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.193 3.580 7.371 1.00 0.00 H new ATOM 651 N LYS A 36 0.376 2.079 9.451 1.00 0.00 N ATOM 652 CA LYS A 36 1.256 2.326 10.588 1.00 0.00 C ATOM 653 C LYS A 36 1.767 1.030 11.219 1.00 0.00 C ATOM 654 O LYS A 36 2.762 1.040 11.943 1.00 0.00 O ATOM 655 CB LYS A 36 0.520 3.159 11.637 1.00 0.00 C ATOM 656 CG LYS A 36 -0.550 2.384 12.391 1.00 0.00 C ATOM 657 CD LYS A 36 -1.232 3.248 13.440 1.00 0.00 C ATOM 658 CE LYS A 36 -0.517 3.166 14.780 1.00 0.00 C ATOM 659 NZ LYS A 36 0.930 3.498 14.660 1.00 0.00 N ATOM 0 H LYS A 36 -0.615 2.026 9.688 1.00 0.00 H new ATOM 0 HA LYS A 36 2.124 2.872 10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.244 3.550 12.351 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.059 4.017 11.149 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.294 2.010 11.687 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.100 1.515 12.871 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.255 4.284 13.101 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.267 2.929 13.559 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.989 3.850 15.485 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.626 2.161 15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.340 3.613 15.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.422 2.729 14.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.040 4.383 14.126 1.00 0.00 H new ATOM 673 N LYS A 37 1.079 -0.078 10.962 1.00 0.00 N ATOM 674 CA LYS A 37 1.477 -1.362 11.536 1.00 0.00 C ATOM 675 C LYS A 37 2.197 -2.240 10.515 1.00 0.00 C ATOM 676 O LYS A 37 2.986 -3.110 10.882 1.00 0.00 O ATOM 677 CB LYS A 37 0.252 -2.095 12.098 1.00 0.00 C ATOM 678 CG LYS A 37 -0.613 -2.772 11.042 1.00 0.00 C ATOM 679 CD LYS A 37 -0.696 -4.274 11.266 1.00 0.00 C ATOM 680 CE LYS A 37 -1.965 -4.655 12.011 1.00 0.00 C ATOM 681 NZ LYS A 37 -1.713 -4.874 13.462 1.00 0.00 N ATOM 0 H LYS A 37 0.252 -0.115 10.367 1.00 0.00 H new ATOM 0 HA LYS A 37 2.176 -1.159 12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.589 -2.847 12.811 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.361 -1.383 12.651 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.615 -2.344 11.063 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.202 -2.573 10.052 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.668 -4.789 10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.174 -4.608 11.832 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.709 -3.868 11.887 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.384 -5.562 11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.603 -5.132 13.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.022 -5.642 13.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.337 -4.001 13.885 1.00 0.00 H new ATOM 695 N CYS A 38 1.916 -2.014 9.237 1.00 0.00 N ATOM 696 CA CYS A 38 2.536 -2.797 8.176 1.00 0.00 C ATOM 697 C CYS A 38 3.671 -2.026 7.509 1.00 0.00 C ATOM 698 O CYS A 38 4.626 -2.625 7.013 1.00 0.00 O ATOM 699 CB CYS A 38 1.487 -3.210 7.146 1.00 0.00 C ATOM 700 SG CYS A 38 0.134 -4.191 7.841 1.00 0.00 S ATOM 0 H CYS A 38 1.266 -1.298 8.912 1.00 0.00 H new ATOM 0 HA CYS A 38 2.964 -3.695 8.622 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.074 -2.315 6.682 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.972 -3.784 6.356 1.00 0.00 H new ATOM 0 HG CYS A 38 0.391 -5.456 7.686 1.00 0.00 H new ATOM 706 N GLY A 39 3.579 -0.699 7.514 1.00 0.00 N ATOM 707 CA GLY A 39 4.630 0.110 6.920 1.00 0.00 C ATOM 708 C GLY A 39 4.171 0.960 5.750 1.00 0.00 C ATOM 709 O GLY A 39 4.981 1.352 4.911 1.00 0.00 O ATOM 0 H GLY A 39 2.803 -0.173 7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.049 0.762 7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.434 -0.546 6.585 1.00 0.00 H new ATOM 713 N ILE A 40 2.880 1.266 5.697 1.00 0.00 N ATOM 714 CA ILE A 40 2.346 2.097 4.625 1.00 0.00 C ATOM 715 C ILE A 40 1.919 3.455 5.184 1.00 0.00 C ATOM 716 O ILE A 40 2.321 3.830 6.285 1.00 0.00 O ATOM 717 CB ILE A 40 1.145 1.433 3.907 1.00 0.00 C ATOM 718 CG1 ILE A 40 0.965 -0.025 4.341 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.323 1.503 2.396 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.278 -0.663 3.761 1.00 0.00 C ATOM 0 H ILE A 40 2.188 0.954 6.378 1.00 0.00 H new ATOM 0 HA ILE A 40 3.140 2.225 3.890 1.00 0.00 H new ATOM 0 HB ILE A 40 0.249 1.985 4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.839 -0.600 4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.917 -0.072 5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.470 1.032 1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.389 2.546 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.237 0.982 2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.351 -1.695 4.104 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.158 -0.109 4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.222 -0.646 2.673 1.00 0.00 H new ATOM 732 N THR A 41 1.108 4.191 4.429 1.00 0.00 N ATOM 733 CA THR A 41 0.645 5.501 4.875 1.00 0.00 C ATOM 734 C THR A 41 -0.728 5.825 4.286 1.00 0.00 C ATOM 735 O THR A 41 -1.095 5.317 3.226 1.00 0.00 O ATOM 736 CB THR A 41 1.656 6.584 4.488 1.00 0.00 C ATOM 737 OG1 THR A 41 2.852 6.004 4.000 1.00 0.00 O ATOM 738 CG2 THR A 41 2.025 7.492 5.640 1.00 0.00 C ATOM 0 H THR A 41 0.760 3.906 3.513 1.00 0.00 H new ATOM 0 HA THR A 41 0.554 5.476 5.961 1.00 0.00 H new ATOM 0 HB THR A 41 1.164 7.178 3.718 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.345 6.666 3.472 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.744 8.237 5.300 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.130 7.993 6.009 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.467 6.901 6.442 1.00 0.00 H new ATOM 746 N PRO A 42 -1.509 6.682 4.972 1.00 0.00 N ATOM 747 CA PRO A 42 -2.847 7.075 4.515 1.00 0.00 C ATOM 748 C PRO A 42 -2.865 7.469 3.042 1.00 0.00 C ATOM 749 O PRO A 42 -3.887 7.342 2.369 1.00 0.00 O ATOM 750 CB PRO A 42 -3.176 8.279 5.399 1.00 0.00 C ATOM 751 CG PRO A 42 -2.413 8.040 6.654 1.00 0.00 C ATOM 752 CD PRO A 42 -1.147 7.335 6.246 1.00 0.00 C ATOM 0 HA PRO A 42 -3.565 6.259 4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.877 9.213 4.924 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.246 8.349 5.592 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.190 8.980 7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.990 7.432 7.351 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.322 8.035 6.117 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.834 6.607 6.995 1.00 0.00 H new ATOM 760 N LEU A 43 -1.726 7.941 2.550 1.00 0.00 N ATOM 761 CA LEU A 43 -1.599 8.350 1.155 1.00 0.00 C ATOM 762 C LEU A 43 -1.192 7.165 0.286 1.00 0.00 C ATOM 763 O LEU A 43 -1.546 7.087 -0.895 1.00 0.00 O ATOM 764 CB LEU A 43 -0.568 9.472 1.022 1.00 0.00 C ATOM 765 CG LEU A 43 -0.867 10.500 -0.072 1.00 0.00 C ATOM 766 CD1 LEU A 43 -1.370 11.799 0.537 1.00 0.00 C ATOM 767 CD2 LEU A 43 0.369 10.754 -0.924 1.00 0.00 C ATOM 0 H LEU A 43 -0.873 8.051 3.099 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.568 8.717 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.494 9.992 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.407 9.027 0.825 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.649 10.096 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.577 12.517 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.283 11.607 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.611 12.206 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.135 11.488 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.173 11.134 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.685 9.822 -1.393 1.00 0.00 H new ATOM 779 N GLN A 44 -0.455 6.233 0.879 1.00 0.00 N ATOM 780 CA GLN A 44 -0.017 5.050 0.159 1.00 0.00 C ATOM 781 C GLN A 44 -1.143 4.037 0.104 1.00 0.00 C ATOM 782 O GLN A 44 -1.587 3.653 -0.967 1.00 0.00 O ATOM 783 CB GLN A 44 1.213 4.421 0.812 1.00 0.00 C ATOM 784 CG GLN A 44 2.180 5.432 1.406 1.00 0.00 C ATOM 785 CD GLN A 44 2.810 6.323 0.354 1.00 0.00 C ATOM 786 OE1 GLN A 44 3.473 5.846 -0.566 1.00 0.00 O ATOM 787 NE2 GLN A 44 2.605 7.630 0.486 1.00 0.00 N ATOM 0 H GLN A 44 -0.151 6.276 1.852 1.00 0.00 H new ATOM 0 HA GLN A 44 0.256 5.353 -0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.887 3.740 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.740 3.822 0.069 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.653 6.050 2.132 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.965 4.904 1.947 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.048 7.983 1.265 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.004 8.280 -0.191 1.00 0.00 H new ATOM 796 N VAL A 45 -1.612 3.624 1.273 1.00 0.00 N ATOM 797 CA VAL A 45 -2.699 2.656 1.374 1.00 0.00 C ATOM 798 C VAL A 45 -3.717 2.827 0.250 1.00 0.00 C ATOM 799 O VAL A 45 -4.197 1.852 -0.314 1.00 0.00 O ATOM 800 CB VAL A 45 -3.416 2.797 2.719 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.479 2.406 3.843 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.915 4.221 2.904 1.00 0.00 C ATOM 0 H VAL A 45 -1.254 3.946 2.172 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.253 1.665 1.291 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.278 2.131 2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.994 2.508 4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.163 1.371 3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.605 3.057 3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.423 4.307 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.070 4.909 2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.611 4.470 2.102 1.00 0.00 H new ATOM 812 N ARG A 46 -4.028 4.070 -0.087 1.00 0.00 N ATOM 813 CA ARG A 46 -4.976 4.341 -1.157 1.00 0.00 C ATOM 814 C ARG A 46 -4.366 4.008 -2.520 1.00 0.00 C ATOM 815 O ARG A 46 -4.865 3.138 -3.229 1.00 0.00 O ATOM 816 CB ARG A 46 -5.444 5.799 -1.123 1.00 0.00 C ATOM 817 CG ARG A 46 -4.369 6.788 -0.710 1.00 0.00 C ATOM 818 CD ARG A 46 -4.372 8.026 -1.596 1.00 0.00 C ATOM 819 NE ARG A 46 -5.696 8.640 -1.671 1.00 0.00 N ATOM 820 CZ ARG A 46 -6.026 9.585 -2.550 1.00 0.00 C ATOM 821 NH1 ARG A 46 -5.136 10.027 -3.429 1.00 0.00 N ATOM 822 NH2 ARG A 46 -7.253 10.090 -2.548 1.00 0.00 N ATOM 0 H ARG A 46 -3.641 4.901 0.361 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.845 3.702 -1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.814 6.073 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.284 5.883 -0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.525 7.083 0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.393 6.306 -0.761 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.657 8.752 -1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.040 7.756 -2.598 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.409 8.327 -1.012 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.191 9.643 -3.435 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.397 10.751 -4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.941 9.755 -1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.508 10.814 -3.220 1.00 0.00 H new ATOM 836 N VAL A 47 -3.282 4.693 -2.880 1.00 0.00 N ATOM 837 CA VAL A 47 -2.619 4.447 -4.161 1.00 0.00 C ATOM 838 C VAL A 47 -2.035 3.038 -4.224 1.00 0.00 C ATOM 839 O VAL A 47 -2.140 2.344 -5.236 1.00 0.00 O ATOM 840 CB VAL A 47 -1.481 5.456 -4.402 1.00 0.00 C ATOM 841 CG1 VAL A 47 -1.997 6.880 -4.291 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.341 5.212 -3.420 1.00 0.00 C ATOM 0 H VAL A 47 -2.846 5.417 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.380 4.560 -4.933 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.098 5.314 -5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.178 7.578 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.777 7.043 -5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.407 7.042 -3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.456 5.932 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.708 5.327 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.045 4.202 -3.555 1.00 0.00 H new ATOM 852 N TRP A 48 -1.401 2.641 -3.132 1.00 0.00 N ATOM 853 CA TRP A 48 -0.767 1.342 -3.025 1.00 0.00 C ATOM 854 C TRP A 48 -1.793 0.213 -3.141 1.00 0.00 C ATOM 855 O TRP A 48 -1.624 -0.699 -3.948 1.00 0.00 O ATOM 856 CB TRP A 48 0.010 1.259 -1.707 1.00 0.00 C ATOM 857 CG TRP A 48 1.479 1.043 -1.908 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.464 1.985 -1.841 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.127 -0.193 -2.215 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.687 1.408 -2.087 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.505 0.070 -2.319 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.674 -1.498 -2.410 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.433 -0.926 -2.610 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.593 -2.485 -2.699 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.961 -2.196 -2.796 1.00 0.00 C ATOM 0 H TRP A 48 -1.313 3.215 -2.293 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.067 1.221 -3.852 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.143 2.179 -1.143 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.393 0.445 -1.105 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.306 3.031 -1.626 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.583 1.896 -2.095 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.622 -1.731 -2.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.487 -0.704 -2.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.253 -3.498 -2.853 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.656 -2.991 -3.022 1.00 0.00 H new ATOM 876 N PHE A 49 -2.863 0.280 -2.347 1.00 0.00 N ATOM 877 CA PHE A 49 -3.905 -0.744 -2.397 1.00 0.00 C ATOM 878 C PHE A 49 -4.699 -0.650 -3.698 1.00 0.00 C ATOM 879 O PHE A 49 -5.359 -1.604 -4.097 1.00 0.00 O ATOM 880 CB PHE A 49 -4.863 -0.621 -1.209 1.00 0.00 C ATOM 881 CG PHE A 49 -4.221 -0.854 0.132 1.00 0.00 C ATOM 882 CD1 PHE A 49 -3.170 -1.747 0.273 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.676 -0.180 1.255 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.587 -1.962 1.507 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.097 -0.391 2.490 1.00 0.00 C ATOM 886 CZ PHE A 49 -3.052 -1.281 2.617 1.00 0.00 C ATOM 0 H PHE A 49 -3.029 1.024 -1.669 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.407 -1.713 -2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.308 0.374 -1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.677 -1.335 -1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.803 -2.281 -0.591 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.494 0.519 1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.769 -2.661 1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.462 0.141 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.597 -1.446 3.582 1.00 0.00 H new ATOM 896 N ILE A 50 -4.637 0.502 -4.359 1.00 0.00 N ATOM 897 CA ILE A 50 -5.355 0.685 -5.614 1.00 0.00 C ATOM 898 C ILE A 50 -4.883 -0.338 -6.649 1.00 0.00 C ATOM 899 O ILE A 50 -5.637 -1.224 -7.052 1.00 0.00 O ATOM 900 CB ILE A 50 -5.181 2.126 -6.159 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.306 3.026 -5.636 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.146 2.151 -7.684 1.00 0.00 C ATOM 903 CD1 ILE A 50 -7.644 2.781 -6.300 1.00 0.00 C ATOM 0 H ILE A 50 -4.103 1.314 -4.050 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.416 0.528 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.223 2.505 -5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.411 2.873 -4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.023 4.068 -5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.023 3.178 -8.028 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.311 1.547 -8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.079 1.746 -8.076 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.389 3.455 -5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.557 2.962 -7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.951 1.749 -6.130 1.00 0.00 H new ATOM 915 N ASN A 51 -3.628 -0.213 -7.068 1.00 0.00 N ATOM 916 CA ASN A 51 -3.058 -1.128 -8.051 1.00 0.00 C ATOM 917 C ASN A 51 -2.933 -2.540 -7.485 1.00 0.00 C ATOM 918 O ASN A 51 -3.186 -3.522 -8.183 1.00 0.00 O ATOM 919 CB ASN A 51 -1.688 -0.629 -8.509 1.00 0.00 C ATOM 920 CG ASN A 51 -1.758 0.737 -9.163 1.00 0.00 C ATOM 921 OD1 ASN A 51 -1.412 1.749 -8.553 1.00 0.00 O ATOM 922 ND2 ASN A 51 -2.206 0.771 -10.411 1.00 0.00 N ATOM 0 H ASN A 51 -2.987 0.511 -6.743 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.733 -1.161 -8.906 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.016 -0.584 -7.652 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.261 -1.344 -9.212 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.275 1.661 -10.904 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.482 -0.093 -10.878 1.00 0.00 H new ATOM 929 N LYS A 52 -2.540 -2.637 -6.220 1.00 0.00 N ATOM 930 CA LYS A 52 -2.379 -3.932 -5.568 1.00 0.00 C ATOM 931 C LYS A 52 -3.729 -4.600 -5.333 1.00 0.00 C ATOM 932 O LYS A 52 -3.967 -5.723 -5.778 1.00 0.00 O ATOM 933 CB LYS A 52 -1.650 -3.767 -4.233 1.00 0.00 C ATOM 934 CG LYS A 52 -0.138 -3.722 -4.367 1.00 0.00 C ATOM 935 CD LYS A 52 0.452 -5.118 -4.480 1.00 0.00 C ATOM 936 CE LYS A 52 1.708 -5.122 -5.336 1.00 0.00 C ATOM 937 NZ LYS A 52 2.140 -6.503 -5.683 1.00 0.00 N ATOM 0 H LYS A 52 -2.327 -1.836 -5.626 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.788 -4.567 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.991 -2.850 -3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.924 -4.592 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.133 -3.139 -5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.290 -3.214 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.687 -5.497 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.287 -5.793 -4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.525 -4.558 -6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.512 -4.613 -4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.999 -6.461 -6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.339 -7.034 -4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.384 -6.980 -6.214 1.00 0.00 H new ATOM 951 N ARG A 53 -4.602 -3.902 -4.620 1.00 0.00 N ATOM 952 CA ARG A 53 -5.927 -4.418 -4.307 1.00 0.00 C ATOM 953 C ARG A 53 -6.985 -3.862 -5.254 1.00 0.00 C ATOM 954 O ARG A 53 -8.134 -3.667 -4.860 1.00 0.00 O ATOM 955 CB ARG A 53 -6.299 -4.070 -2.866 1.00 0.00 C ATOM 956 CG ARG A 53 -7.627 -4.669 -2.425 1.00 0.00 C ATOM 957 CD ARG A 53 -8.611 -3.594 -1.992 1.00 0.00 C ATOM 958 NE ARG A 53 -7.977 -2.564 -1.169 1.00 0.00 N ATOM 959 CZ ARG A 53 -8.337 -1.281 -1.173 1.00 0.00 C ATOM 960 NH1 ARG A 53 -9.338 -0.864 -1.938 1.00 0.00 N ATOM 961 NH2 ARG A 53 -7.696 -0.412 -0.404 1.00 0.00 N ATOM 0 H ARG A 53 -4.415 -2.972 -4.246 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.896 -5.501 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.511 -4.421 -2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.345 -2.986 -2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.056 -5.247 -3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.458 -5.362 -1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.052 -3.131 -2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.426 -4.054 -1.432 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.213 -2.845 -0.555 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.839 -1.527 -2.529 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.607 0.120 -1.935 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.928 -0.726 0.190 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.971 0.570 -0.406 1.00 0.00 H new ATOM 975 N MET A 54 -6.601 -3.606 -6.502 1.00 0.00 N ATOM 976 CA MET A 54 -7.536 -3.078 -7.492 1.00 0.00 C ATOM 977 C MET A 54 -8.799 -3.934 -7.554 1.00 0.00 C ATOM 978 O MET A 54 -8.897 -4.861 -8.358 1.00 0.00 O ATOM 979 CB MET A 54 -6.877 -3.016 -8.871 1.00 0.00 C ATOM 980 CG MET A 54 -7.203 -1.748 -9.643 1.00 0.00 C ATOM 981 SD MET A 54 -5.904 -1.291 -10.806 1.00 0.00 S ATOM 982 CE MET A 54 -5.900 -2.716 -11.891 1.00 0.00 C ATOM 0 H MET A 54 -5.654 -3.755 -6.851 1.00 0.00 H new ATOM 0 HA MET A 54 -7.815 -2.069 -7.189 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.796 -3.092 -8.752 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.194 -3.879 -9.456 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.138 -1.887 -10.185 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.361 -0.930 -8.940 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.236 -2.529 -12.735 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.551 -3.591 -11.342 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.910 -2.897 -12.258 1.00 0.00 H new ATOM 992 N ARG A 55 -9.755 -3.620 -6.688 1.00 0.00 N ATOM 993 CA ARG A 55 -11.008 -4.356 -6.626 1.00 0.00 C ATOM 994 C ARG A 55 -11.899 -4.021 -7.815 1.00 0.00 C ATOM 995 O ARG A 55 -12.580 -4.890 -8.361 1.00 0.00 O ATOM 996 CB ARG A 55 -11.738 -4.032 -5.323 1.00 0.00 C ATOM 997 CG ARG A 55 -11.118 -4.688 -4.100 1.00 0.00 C ATOM 998 CD ARG A 55 -11.815 -5.994 -3.753 1.00 0.00 C ATOM 999 NE ARG A 55 -11.398 -7.088 -4.626 1.00 0.00 N ATOM 1000 CZ ARG A 55 -12.034 -8.256 -4.708 1.00 0.00 C ATOM 1001 NH1 ARG A 55 -13.117 -8.480 -3.976 1.00 0.00 N ATOM 1002 NH2 ARG A 55 -11.586 -9.199 -5.525 1.00 0.00 N ATOM 0 H ARG A 55 -9.684 -2.856 -6.016 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.780 -5.421 -6.659 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.747 -2.951 -5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.777 -4.351 -5.409 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.060 -4.877 -4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.177 -4.007 -3.251 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.600 -6.255 -2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.894 -5.860 -3.830 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.571 -6.950 -5.207 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.466 -7.757 -3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.601 -9.376 -4.042 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.754 -9.031 -6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.073 -10.093 -5.588 1.00 0.00 H new ATOM 1016 N SER A 56 -11.893 -2.753 -8.210 1.00 0.00 N ATOM 1017 CA SER A 56 -12.704 -2.297 -9.332 1.00 0.00 C ATOM 1018 C SER A 56 -11.909 -1.360 -10.238 1.00 0.00 C ATOM 1019 O SER A 56 -10.691 -1.246 -10.113 1.00 0.00 O ATOM 1020 CB SER A 56 -13.963 -1.592 -8.821 1.00 0.00 C ATOM 1021 OG SER A 56 -15.129 -2.320 -9.162 1.00 0.00 O ATOM 0 H SER A 56 -11.335 -2.022 -7.769 1.00 0.00 H new ATOM 0 HA SER A 56 -12.996 -3.169 -9.917 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.906 -1.478 -7.739 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.020 -0.589 -9.245 1.00 0.00 H new ATOM 0 HG SER A 56 -15.919 -1.850 -8.823 1.00 0.00 H new ATOM 1027 N LYS A 57 -12.610 -0.690 -11.149 1.00 0.00 N ATOM 1028 CA LYS A 57 -11.972 0.238 -12.076 1.00 0.00 C ATOM 1029 C LYS A 57 -11.776 1.606 -11.428 1.00 0.00 C ATOM 1030 O LYS A 57 -10.851 2.332 -11.849 1.00 0.00 O ATOM 1031 CB LYS A 57 -12.810 0.380 -13.349 1.00 0.00 C ATOM 1032 CG LYS A 57 -12.565 -0.725 -14.363 1.00 0.00 C ATOM 1033 CD LYS A 57 -13.565 -1.860 -14.203 1.00 0.00 C ATOM 1034 CE LYS A 57 -13.778 -2.605 -15.511 1.00 0.00 C ATOM 1035 NZ LYS A 57 -14.411 -3.936 -15.297 1.00 0.00 N ATOM 1036 OXT LYS A 57 -12.548 1.938 -10.505 1.00 0.00 O ATOM 0 H LYS A 57 -13.620 -0.773 -11.264 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.993 -0.165 -12.337 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.866 0.388 -13.080 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.592 1.342 -13.812 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.634 -0.317 -15.371 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.553 -1.111 -14.244 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.210 -2.554 -13.442 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.516 -1.461 -13.852 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.406 -2.007 -16.171 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.820 -2.736 -16.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.539 -4.411 -16.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.800 -4.517 -14.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.337 -3.811 -14.840 1.00 0.00 H new TER 1050 LYS A 57