USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0319 K(o=-0.032,f=-0.65) USER MOD Single : A 15 LYS NZ :NH3+ -151:sc= 0.756 (180deg=-0.652) USER MOD Single : A 16 GLN : amide:sc= 0.724 K(o=0.72,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0306 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -74:sc= 0.707 USER MOD Single : A 25 HIS : no HD1:sc= 1.09 K(o=1.1,f=-3.5!) USER MOD Single : A 26 ASN : amide:sc= 1.03 K(o=1,f=-1.7) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -146:sc= 1.41 (180deg=-2.98) USER MOD Single : A 45 THR OG1 : rot 83:sc= 0.102 USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0.872 K(o=0.87,f=-0.18) USER MOD Single : B 17 TYR OH : rot -166:sc= 0.0398 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -150:sc= -0.409 USER MOD Single : B 25 HIS : no HD1:sc= 0.402 K(o=0.4,f=-1.5) USER MOD Single : B 26 ASN : amide:sc= 1.08 K(o=1.1,f=-0.75) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ -112:sc= 1.19 (180deg=0.029) USER MOD Single : B 39 HIS : +bothHN:sc= 0.254 K(o=0.25,f=-4.8!) USER MOD Single : B 45 THR OG1 : rot 91:sc= 1.28 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 2.209 13.433 -13.271 1.00 0.00 C HETATM 2 O ACE A 0 2.414 13.350 -14.480 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.376 14.562 -12.713 1.00 0.00 C HETATM 0 H1 ACE A 0 0.509 14.153 -12.194 1.00 0.00 H new HETATM 0 H2 ACE A 0 1.975 15.145 -12.014 1.00 0.00 H new HETATM 0 H3 ACE A 0 1.041 15.204 -13.528 1.00 0.00 H new ATOM 7 N ASP A 1 2.676 12.560 -12.381 1.00 0.00 N ATOM 8 CA ASP A 1 3.572 11.430 -12.699 1.00 0.00 C ATOM 9 C ASP A 1 3.162 10.111 -12.023 1.00 0.00 C ATOM 10 O ASP A 1 3.439 9.024 -12.538 1.00 0.00 O ATOM 11 CB ASP A 1 4.992 11.814 -12.270 1.00 0.00 C ATOM 12 CG ASP A 1 6.058 10.836 -12.799 1.00 0.00 C ATOM 13 OD1 ASP A 1 6.266 10.777 -14.034 1.00 0.00 O ATOM 14 OD2 ASP A 1 6.716 10.155 -11.977 1.00 0.00 O ATOM 0 H ASP A 1 2.440 12.613 -11.390 1.00 0.00 H new ATOM 0 HA ASP A 1 3.511 11.249 -13.772 1.00 0.00 H new ATOM 0 HB2 ASP A 1 5.216 12.818 -12.629 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.042 11.846 -11.182 1.00 0.00 H new ATOM 19 N TYR A 2 2.457 10.210 -10.893 1.00 0.00 N ATOM 20 CA TYR A 2 2.033 9.074 -10.062 1.00 0.00 C ATOM 21 C TYR A 2 1.273 8.009 -10.849 1.00 0.00 C ATOM 22 O TYR A 2 1.474 6.823 -10.626 1.00 0.00 O ATOM 23 CB TYR A 2 1.112 9.532 -8.918 1.00 0.00 C ATOM 24 CG TYR A 2 1.423 10.879 -8.303 1.00 0.00 C ATOM 25 CD1 TYR A 2 2.706 11.149 -7.796 1.00 0.00 C ATOM 26 CD2 TYR A 2 0.420 11.867 -8.258 1.00 0.00 C ATOM 27 CE1 TYR A 2 2.991 12.415 -7.256 1.00 0.00 C ATOM 28 CE2 TYR A 2 0.699 13.131 -7.710 1.00 0.00 C ATOM 29 CZ TYR A 2 1.991 13.412 -7.209 1.00 0.00 C ATOM 30 OH TYR A 2 2.282 14.638 -6.693 1.00 0.00 O ATOM 0 H TYR A 2 2.155 11.109 -10.518 1.00 0.00 H new ATOM 0 HA TYR A 2 2.958 8.647 -9.676 1.00 0.00 H new ATOM 0 HB2 TYR A 2 0.088 9.555 -9.292 1.00 0.00 H new ATOM 0 HB3 TYR A 2 1.147 8.780 -8.130 1.00 0.00 H new ATOM 0 HD1 TYR A 2 3.470 10.386 -7.821 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -0.565 11.653 -8.645 1.00 0.00 H new ATOM 0 HE1 TYR A 2 3.979 12.627 -6.875 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -0.072 13.886 -7.672 1.00 0.00 H new ATOM 0 HH TYR A 2 1.486 15.208 -6.735 1.00 0.00 H new ATOM 40 N LEU A 3 0.396 8.436 -11.763 1.00 0.00 N ATOM 41 CA LEU A 3 -0.548 7.561 -12.466 1.00 0.00 C ATOM 42 C LEU A 3 0.191 6.526 -13.316 1.00 0.00 C ATOM 43 O LEU A 3 -0.143 5.342 -13.284 1.00 0.00 O ATOM 44 CB LEU A 3 -1.503 8.389 -13.343 1.00 0.00 C ATOM 45 CG LEU A 3 -2.274 9.463 -12.564 1.00 0.00 C ATOM 46 CD1 LEU A 3 -3.118 10.295 -13.527 1.00 0.00 C ATOM 47 CD2 LEU A 3 -3.193 8.891 -11.483 1.00 0.00 C ATOM 0 H LEU A 3 0.321 9.415 -12.040 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.135 7.030 -11.717 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.931 8.868 -14.137 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.215 7.718 -13.824 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.522 10.074 -12.065 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.663 11.056 -12.969 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.468 10.777 -14.257 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.826 9.647 -14.043 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.706 9.706 -10.973 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.928 8.231 -11.943 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.600 8.328 -10.762 1.00 0.00 H new ATOM 59 N ARG A 4 1.237 6.964 -14.028 1.00 0.00 N ATOM 60 CA ARG A 4 2.113 6.078 -14.798 1.00 0.00 C ATOM 61 C ARG A 4 2.975 5.201 -13.895 1.00 0.00 C ATOM 62 O ARG A 4 3.160 4.039 -14.227 1.00 0.00 O ATOM 63 CB ARG A 4 2.939 6.902 -15.799 1.00 0.00 C ATOM 64 CG ARG A 4 3.762 6.015 -16.752 1.00 0.00 C ATOM 65 CD ARG A 4 3.936 6.703 -18.112 1.00 0.00 C ATOM 66 NE ARG A 4 4.793 5.919 -19.023 1.00 0.00 N ATOM 67 CZ ARG A 4 6.066 6.134 -19.307 1.00 0.00 C ATOM 68 NH1 ARG A 4 6.765 7.060 -18.714 1.00 0.00 N ATOM 69 NH2 ARG A 4 6.671 5.411 -20.206 1.00 0.00 N ATOM 0 H ARG A 4 1.499 7.948 -14.085 1.00 0.00 H new ATOM 0 HA ARG A 4 1.496 5.385 -15.369 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.271 7.535 -16.383 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.611 7.565 -15.253 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.739 5.810 -16.314 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.264 5.055 -16.885 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.959 6.851 -18.571 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.372 7.691 -17.965 1.00 0.00 H new ATOM 0 HE ARG A 4 4.354 5.123 -19.485 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.332 7.649 -18.003 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.745 7.195 -18.961 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.162 4.674 -20.695 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.653 5.581 -20.421 1.00 0.00 H new ATOM 83 N GLU A 5 3.439 5.685 -12.743 1.00 0.00 N ATOM 84 CA GLU A 5 4.153 4.838 -11.769 1.00 0.00 C ATOM 85 C GLU A 5 3.247 3.730 -11.177 1.00 0.00 C ATOM 86 O GLU A 5 3.667 2.578 -11.046 1.00 0.00 O ATOM 87 CB GLU A 5 4.780 5.726 -10.684 1.00 0.00 C ATOM 88 CG GLU A 5 5.848 5.005 -9.841 1.00 0.00 C ATOM 89 CD GLU A 5 5.421 4.783 -8.376 1.00 0.00 C ATOM 90 OE1 GLU A 5 4.388 4.117 -8.126 1.00 0.00 O ATOM 91 OE2 GLU A 5 6.138 5.254 -7.457 1.00 0.00 O ATOM 0 H GLU A 5 3.337 6.658 -12.455 1.00 0.00 H new ATOM 0 HA GLU A 5 4.953 4.309 -12.287 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.230 6.600 -11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.993 6.090 -10.024 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.071 4.041 -10.297 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.769 5.587 -9.859 1.00 0.00 H new ATOM 98 N LEU A 6 1.979 4.065 -10.910 1.00 0.00 N ATOM 99 CA LEU A 6 0.908 3.170 -10.464 1.00 0.00 C ATOM 100 C LEU A 6 0.585 2.083 -11.505 1.00 0.00 C ATOM 101 O LEU A 6 0.678 0.886 -11.227 1.00 0.00 O ATOM 102 CB LEU A 6 -0.337 4.043 -10.148 1.00 0.00 C ATOM 103 CG LEU A 6 -0.608 4.175 -8.646 1.00 0.00 C ATOM 104 CD1 LEU A 6 0.490 4.944 -7.902 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.926 4.911 -8.401 1.00 0.00 C ATOM 0 H LEU A 6 1.655 5.027 -11.006 1.00 0.00 H new ATOM 0 HA LEU A 6 1.230 2.634 -9.571 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.196 5.036 -10.575 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.211 3.609 -10.633 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.644 3.154 -8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.239 5.003 -6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.442 4.426 -8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.571 5.951 -8.312 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.102 4.995 -7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.873 5.908 -8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.744 4.355 -8.860 1.00 0.00 H new ATOM 117 N LEU A 7 0.220 2.513 -12.715 1.00 0.00 N ATOM 118 CA LEU A 7 -0.115 1.656 -13.857 1.00 0.00 C ATOM 119 C LEU A 7 1.064 0.795 -14.328 1.00 0.00 C ATOM 120 O LEU A 7 0.900 -0.419 -14.486 1.00 0.00 O ATOM 121 CB LEU A 7 -0.615 2.523 -15.029 1.00 0.00 C ATOM 122 CG LEU A 7 -1.994 3.168 -14.808 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.238 4.239 -15.866 1.00 0.00 C ATOM 124 CD2 LEU A 7 -3.125 2.142 -14.895 1.00 0.00 C ATOM 0 H LEU A 7 0.147 3.506 -12.936 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.897 0.975 -13.521 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.114 3.311 -15.217 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.657 1.907 -15.927 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.991 3.602 -13.808 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.216 4.693 -15.705 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.466 5.005 -15.793 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.207 3.786 -16.857 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.081 2.640 -14.733 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.120 1.678 -15.881 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.981 1.376 -14.133 1.00 0.00 H new ATOM 136 N LYS A 8 2.253 1.388 -14.532 1.00 0.00 N ATOM 137 CA LYS A 8 3.486 0.700 -14.954 1.00 0.00 C ATOM 138 C LYS A 8 4.139 -0.087 -13.807 1.00 0.00 C ATOM 139 O LYS A 8 5.280 0.140 -13.402 1.00 0.00 O ATOM 140 CB LYS A 8 4.434 1.696 -15.639 1.00 0.00 C ATOM 141 CG LYS A 8 5.508 0.961 -16.442 1.00 0.00 C ATOM 142 CD LYS A 8 6.404 1.943 -17.196 1.00 0.00 C ATOM 143 CE LYS A 8 7.535 1.109 -17.790 1.00 0.00 C ATOM 144 NZ LYS A 8 8.446 1.916 -18.641 1.00 0.00 N ATOM 0 H LYS A 8 2.387 2.391 -14.404 1.00 0.00 H new ATOM 0 HA LYS A 8 3.228 -0.059 -15.693 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.865 2.351 -16.299 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.905 2.331 -14.889 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.115 0.353 -15.771 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.035 0.280 -17.149 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.847 2.458 -17.978 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.794 2.709 -16.526 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.107 0.650 -16.983 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.112 0.298 -18.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.197 1.306 -19.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.908 2.333 -19.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.872 2.675 -18.071 1.00 0.00 H new ATOM 158 N GLY A 9 3.373 -1.038 -13.292 1.00 0.00 N ATOM 159 CA GLY A 9 3.847 -2.061 -12.373 1.00 0.00 C ATOM 160 C GLY A 9 2.873 -3.156 -11.974 1.00 0.00 C ATOM 161 O GLY A 9 3.271 -4.313 -11.866 1.00 0.00 O ATOM 0 H GLY A 9 2.380 -1.121 -13.508 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.720 -2.535 -12.820 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.185 -1.565 -11.463 1.00 0.00 H new ATOM 165 N GLU A 10 1.590 -2.846 -11.827 1.00 0.00 N ATOM 166 CA GLU A 10 0.574 -3.888 -11.566 1.00 0.00 C ATOM 167 C GLU A 10 0.493 -4.916 -12.713 1.00 0.00 C ATOM 168 O GLU A 10 0.231 -6.097 -12.468 1.00 0.00 O ATOM 169 CB GLU A 10 -0.789 -3.230 -11.278 1.00 0.00 C ATOM 170 CG GLU A 10 -0.909 -2.601 -9.875 1.00 0.00 C ATOM 171 CD GLU A 10 -1.861 -3.377 -8.956 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.602 -4.416 -8.329 1.00 0.00 O ATOM 173 OE2 GLU A 10 -3.054 -3.112 -8.706 1.00 0.00 O ATOM 0 H GLU A 10 1.220 -1.897 -11.881 1.00 0.00 H new ATOM 0 HA GLU A 10 0.876 -4.449 -10.682 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.971 -2.458 -12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.572 -3.979 -11.395 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.078 -2.558 -9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.261 -1.574 -9.971 1.00 0.00 H new ATOM 180 N LEU A 11 0.822 -4.526 -13.954 1.00 0.00 N ATOM 181 CA LEU A 11 0.904 -5.422 -15.099 1.00 0.00 C ATOM 182 C LEU A 11 2.082 -6.417 -15.083 1.00 0.00 C ATOM 183 O LEU A 11 2.142 -7.330 -15.909 1.00 0.00 O ATOM 184 CB LEU A 11 0.819 -4.561 -16.353 1.00 0.00 C ATOM 185 CG LEU A 11 1.960 -3.558 -16.526 1.00 0.00 C ATOM 186 CD1 LEU A 11 3.179 -4.181 -17.204 1.00 0.00 C ATOM 187 CD2 LEU A 11 1.449 -2.387 -17.357 1.00 0.00 C ATOM 0 H LEU A 11 1.042 -3.557 -14.186 1.00 0.00 H new ATOM 0 HA LEU A 11 0.062 -6.113 -15.065 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.795 -5.216 -17.224 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.125 -4.016 -16.338 1.00 0.00 H new ATOM 0 HG LEU A 11 2.280 -3.225 -15.539 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.963 -3.430 -17.305 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.547 -5.011 -16.600 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.898 -4.547 -18.191 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.250 -1.660 -17.492 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.120 -2.748 -18.331 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.612 -1.914 -16.843 1.00 0.00 H new ATOM 199 N GLN A 12 3.009 -6.259 -14.138 1.00 0.00 N ATOM 200 CA GLN A 12 4.094 -7.189 -13.847 1.00 0.00 C ATOM 201 C GLN A 12 3.628 -8.329 -12.918 1.00 0.00 C ATOM 202 O GLN A 12 4.323 -9.339 -12.785 1.00 0.00 O ATOM 203 CB GLN A 12 5.279 -6.387 -13.275 1.00 0.00 C ATOM 204 CG GLN A 12 6.643 -7.103 -13.327 1.00 0.00 C ATOM 205 CD GLN A 12 7.133 -7.675 -11.991 1.00 0.00 C ATOM 206 OE1 GLN A 12 6.889 -7.154 -10.911 1.00 0.00 O ATOM 207 NE2 GLN A 12 7.895 -8.748 -12.009 1.00 0.00 N ATOM 0 H GLN A 12 3.022 -5.441 -13.528 1.00 0.00 H new ATOM 0 HA GLN A 12 4.421 -7.684 -14.761 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.359 -5.448 -13.822 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.059 -6.134 -12.238 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.581 -7.916 -14.051 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.390 -6.401 -13.699 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.115 -9.203 -12.895 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.266 -9.125 -11.137 1.00 0.00 H new ATOM 216 N GLY A 13 2.432 -8.203 -12.323 1.00 0.00 N ATOM 217 CA GLY A 13 1.824 -9.217 -11.463 1.00 0.00 C ATOM 218 C GLY A 13 0.769 -10.049 -12.190 1.00 0.00 C ATOM 219 O GLY A 13 0.830 -11.274 -12.118 1.00 0.00 O ATOM 0 H GLY A 13 1.851 -7.372 -12.432 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.602 -9.878 -11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.367 -8.731 -10.601 1.00 0.00 H new ATOM 223 N ILE A 14 -0.152 -9.425 -12.948 1.00 0.00 N ATOM 224 CA ILE A 14 -1.303 -10.145 -13.554 1.00 0.00 C ATOM 225 C ILE A 14 -0.833 -11.309 -14.433 1.00 0.00 C ATOM 226 O ILE A 14 -1.264 -12.454 -14.279 1.00 0.00 O ATOM 227 CB ILE A 14 -2.194 -9.199 -14.396 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.772 -8.047 -13.556 1.00 0.00 C ATOM 229 CG2 ILE A 14 -3.355 -9.974 -15.060 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.350 -6.918 -14.415 1.00 0.00 C ATOM 0 H ILE A 14 -0.128 -8.427 -13.159 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.893 -10.537 -12.725 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.550 -8.775 -15.167 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.553 -8.436 -12.902 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.989 -7.644 -12.913 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.965 -9.285 -15.645 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.950 -10.746 -15.715 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.970 -10.438 -14.289 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.743 -6.134 -13.768 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.566 -6.506 -15.050 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.153 -7.310 -15.039 1.00 0.00 H new ATOM 242 N LYS A 15 0.088 -11.000 -15.350 1.00 0.00 N ATOM 243 CA LYS A 15 0.611 -11.937 -16.347 1.00 0.00 C ATOM 244 C LYS A 15 1.474 -13.034 -15.738 1.00 0.00 C ATOM 245 O LYS A 15 1.502 -14.152 -16.252 1.00 0.00 O ATOM 246 CB LYS A 15 1.399 -11.142 -17.401 1.00 0.00 C ATOM 247 CG LYS A 15 0.468 -10.418 -18.392 1.00 0.00 C ATOM 248 CD LYS A 15 0.858 -8.972 -18.748 1.00 0.00 C ATOM 249 CE LYS A 15 2.269 -8.764 -19.326 1.00 0.00 C ATOM 250 NZ LYS A 15 3.307 -8.590 -18.272 1.00 0.00 N ATOM 0 H LYS A 15 0.500 -10.070 -15.421 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.234 -12.448 -16.809 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.036 -10.412 -16.903 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.056 -11.818 -17.948 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.427 -11.000 -19.313 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.539 -10.410 -17.975 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.134 -8.591 -19.469 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.764 -8.362 -17.849 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.531 -9.619 -19.949 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.265 -7.887 -19.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.078 -7.996 -18.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.883 -8.132 -17.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.685 -9.520 -18.001 1.00 0.00 H new ATOM 264 N GLN A 16 2.148 -12.730 -14.631 1.00 0.00 N ATOM 265 CA GLN A 16 2.994 -13.691 -13.947 1.00 0.00 C ATOM 266 C GLN A 16 2.174 -14.665 -13.088 1.00 0.00 C ATOM 267 O GLN A 16 2.466 -15.858 -13.037 1.00 0.00 O ATOM 268 CB GLN A 16 4.004 -12.988 -13.052 1.00 0.00 C ATOM 269 CG GLN A 16 5.379 -12.972 -13.734 1.00 0.00 C ATOM 270 CD GLN A 16 6.427 -12.558 -12.726 1.00 0.00 C ATOM 271 OE1 GLN A 16 7.403 -13.242 -12.444 1.00 0.00 O ATOM 272 NE2 GLN A 16 6.197 -11.435 -12.100 1.00 0.00 N ATOM 0 H GLN A 16 2.120 -11.812 -14.188 1.00 0.00 H new ATOM 0 HA GLN A 16 3.514 -14.253 -14.723 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.676 -11.968 -12.849 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.070 -13.499 -12.091 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.612 -13.959 -14.134 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.373 -12.280 -14.576 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.381 -10.873 -12.343 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.833 -11.120 -11.368 1.00 0.00 H new ATOM 281 N TYR A 17 1.126 -14.165 -12.426 1.00 0.00 N ATOM 282 CA TYR A 17 0.222 -14.962 -11.593 1.00 0.00 C ATOM 283 C TYR A 17 -0.432 -16.099 -12.379 1.00 0.00 C ATOM 284 O TYR A 17 -0.634 -17.185 -11.827 1.00 0.00 O ATOM 285 CB TYR A 17 -0.885 -14.080 -10.997 1.00 0.00 C ATOM 286 CG TYR A 17 -0.583 -13.375 -9.683 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.145 -14.113 -8.564 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.854 -11.999 -9.546 1.00 0.00 C ATOM 289 CE1 TYR A 17 0.036 -13.473 -7.322 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.673 -11.356 -8.306 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.228 -12.094 -7.189 1.00 0.00 C ATOM 292 OH TYR A 17 -0.125 -11.503 -5.967 1.00 0.00 O ATOM 0 H TYR A 17 0.878 -13.176 -12.455 1.00 0.00 H new ATOM 0 HA TYR A 17 0.831 -15.391 -10.797 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.146 -13.321 -11.735 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.769 -14.701 -10.852 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.052 -15.171 -8.659 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.203 -11.434 -10.398 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.378 -14.040 -6.469 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.875 -10.299 -8.210 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.338 -10.550 -6.046 1.00 0.00 H new ATOM 302 N ARG A 18 -0.734 -15.887 -13.671 1.00 0.00 N ATOM 303 CA ARG A 18 -1.295 -16.961 -14.508 1.00 0.00 C ATOM 304 C ARG A 18 -0.309 -18.124 -14.715 1.00 0.00 C ATOM 305 O ARG A 18 -0.722 -19.276 -14.831 1.00 0.00 O ATOM 306 CB ARG A 18 -1.841 -16.388 -15.815 1.00 0.00 C ATOM 307 CG ARG A 18 -2.788 -17.376 -16.515 1.00 0.00 C ATOM 308 CD ARG A 18 -3.445 -16.760 -17.754 1.00 0.00 C ATOM 309 NE ARG A 18 -4.407 -17.703 -18.360 1.00 0.00 N ATOM 310 CZ ARG A 18 -5.172 -17.487 -19.416 1.00 0.00 C ATOM 311 NH1 ARG A 18 -5.138 -16.367 -20.082 1.00 0.00 N ATOM 312 NH2 ARG A 18 -6.000 -18.406 -19.825 1.00 0.00 N ATOM 0 H ARG A 18 -0.602 -14.997 -14.152 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.137 -17.402 -13.974 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.371 -15.457 -15.612 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.013 -16.144 -16.480 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.232 -18.268 -16.805 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.561 -17.695 -15.816 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.957 -15.838 -17.479 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.680 -16.495 -18.483 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.490 -18.618 -17.917 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.506 -15.621 -19.793 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.744 -16.237 -20.892 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.059 -19.296 -19.330 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.589 -18.236 -20.640 1.00 0.00 H new ATOM 326 N GLU A 19 0.994 -17.838 -14.689 1.00 0.00 N ATOM 327 CA GLU A 19 2.075 -18.835 -14.697 1.00 0.00 C ATOM 328 C GLU A 19 2.233 -19.562 -13.345 1.00 0.00 C ATOM 329 O GLU A 19 2.644 -20.718 -13.296 1.00 0.00 O ATOM 330 CB GLU A 19 3.390 -18.111 -15.026 1.00 0.00 C ATOM 331 CG GLU A 19 4.381 -18.993 -15.791 1.00 0.00 C ATOM 332 CD GLU A 19 5.662 -18.208 -16.138 1.00 0.00 C ATOM 333 OE1 GLU A 19 5.679 -17.486 -17.166 1.00 0.00 O ATOM 334 OE2 GLU A 19 6.667 -18.316 -15.395 1.00 0.00 O ATOM 0 H GLU A 19 1.340 -16.879 -14.661 1.00 0.00 H new ATOM 0 HA GLU A 19 1.826 -19.591 -15.442 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.171 -17.222 -15.617 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.854 -17.772 -14.100 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.636 -19.866 -15.190 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.916 -19.361 -16.706 1.00 0.00 H new ATOM 341 N ALA A 20 1.917 -18.887 -12.238 1.00 0.00 N ATOM 342 CA ALA A 20 2.123 -19.383 -10.874 1.00 0.00 C ATOM 343 C ALA A 20 1.101 -20.445 -10.427 1.00 0.00 C ATOM 344 O ALA A 20 1.456 -21.321 -9.631 1.00 0.00 O ATOM 345 CB ALA A 20 2.135 -18.188 -9.913 1.00 0.00 C ATOM 0 H ALA A 20 1.500 -17.956 -12.265 1.00 0.00 H new ATOM 0 HA ALA A 20 3.083 -19.899 -10.858 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.288 -18.542 -8.894 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.943 -17.510 -10.186 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.183 -17.661 -9.975 1.00 0.00 H new ATOM 351 N LEU A 21 -0.133 -20.440 -10.959 1.00 0.00 N ATOM 352 CA LEU A 21 -1.117 -21.508 -10.690 1.00 0.00 C ATOM 353 C LEU A 21 -0.581 -22.883 -11.101 1.00 0.00 C ATOM 354 O LEU A 21 -0.923 -23.880 -10.476 1.00 0.00 O ATOM 355 CB LEU A 21 -2.485 -21.184 -11.319 1.00 0.00 C ATOM 356 CG LEU A 21 -3.632 -22.144 -10.922 1.00 0.00 C ATOM 357 CD1 LEU A 21 -4.966 -21.397 -10.875 1.00 0.00 C ATOM 358 CD2 LEU A 21 -3.825 -23.295 -11.917 1.00 0.00 C ATOM 0 H LEU A 21 -0.476 -19.707 -11.580 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.277 -21.553 -9.613 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.767 -20.170 -11.037 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.381 -21.196 -12.404 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.346 -22.543 -9.949 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.760 -22.088 -10.594 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.908 -20.594 -10.141 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.182 -20.976 -11.857 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.644 -23.932 -11.582 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.060 -22.890 -12.901 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.909 -23.883 -11.976 1.00 0.00 H new ATOM 370 N GLU A 22 0.330 -22.954 -12.073 1.00 0.00 N ATOM 371 CA GLU A 22 0.940 -24.233 -12.472 1.00 0.00 C ATOM 372 C GLU A 22 1.797 -24.908 -11.385 1.00 0.00 C ATOM 373 O GLU A 22 2.025 -26.118 -11.443 1.00 0.00 O ATOM 374 CB GLU A 22 1.797 -24.041 -13.725 1.00 0.00 C ATOM 375 CG GLU A 22 1.163 -24.651 -14.985 1.00 0.00 C ATOM 376 CD GLU A 22 1.142 -26.195 -14.953 1.00 0.00 C ATOM 377 OE1 GLU A 22 0.237 -26.783 -14.308 1.00 0.00 O ATOM 378 OE2 GLU A 22 2.016 -26.831 -15.591 1.00 0.00 O ATOM 0 H GLU A 22 0.664 -22.147 -12.600 1.00 0.00 H new ATOM 0 HA GLU A 22 0.098 -24.899 -12.661 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.961 -22.976 -13.887 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.775 -24.493 -13.562 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.144 -24.280 -15.090 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.716 -24.317 -15.863 1.00 0.00 H new ATOM 385 N TYR A 23 2.247 -24.146 -10.385 1.00 0.00 N ATOM 386 CA TYR A 23 3.135 -24.608 -9.308 1.00 0.00 C ATOM 387 C TYR A 23 2.483 -24.503 -7.918 1.00 0.00 C ATOM 388 O TYR A 23 3.045 -24.979 -6.930 1.00 0.00 O ATOM 389 CB TYR A 23 4.450 -23.816 -9.374 1.00 0.00 C ATOM 390 CG TYR A 23 5.162 -23.914 -10.713 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.965 -25.034 -11.004 1.00 0.00 C ATOM 392 CD2 TYR A 23 4.999 -22.897 -11.676 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.611 -25.137 -12.251 1.00 0.00 C ATOM 394 CE2 TYR A 23 5.642 -22.997 -12.926 1.00 0.00 C ATOM 395 CZ TYR A 23 6.452 -24.116 -13.216 1.00 0.00 C ATOM 396 OH TYR A 23 7.083 -24.222 -14.419 1.00 0.00 O ATOM 0 H TYR A 23 1.998 -23.161 -10.297 1.00 0.00 H new ATOM 0 HA TYR A 23 3.338 -25.668 -9.459 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.242 -22.768 -9.160 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.118 -24.175 -8.591 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.086 -25.816 -10.269 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.380 -22.040 -11.455 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.228 -25.996 -12.470 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.515 -22.217 -13.662 1.00 0.00 H new ATOM 0 HH TYR A 23 6.871 -23.440 -14.970 1.00 0.00 H new ATOM 406 N THR A 24 1.277 -23.927 -7.849 1.00 0.00 N ATOM 407 CA THR A 24 0.493 -23.732 -6.617 1.00 0.00 C ATOM 408 C THR A 24 -0.889 -24.393 -6.665 1.00 0.00 C ATOM 409 O THR A 24 -1.443 -24.683 -5.607 1.00 0.00 O ATOM 410 CB THR A 24 0.302 -22.236 -6.318 1.00 0.00 C ATOM 411 OG1 THR A 24 -0.294 -21.615 -7.424 1.00 0.00 O ATOM 412 CG2 THR A 24 1.603 -21.481 -6.042 1.00 0.00 C ATOM 0 H THR A 24 0.801 -23.570 -8.677 1.00 0.00 H new ATOM 0 HA THR A 24 1.072 -24.212 -5.828 1.00 0.00 H new ATOM 0 HB THR A 24 -0.313 -22.195 -5.419 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.365 -21.527 -8.144 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.380 -20.433 -5.841 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.101 -21.919 -5.177 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.256 -21.552 -6.911 1.00 0.00 H new ATOM 420 N HIS A 25 -1.439 -24.653 -7.862 1.00 0.00 N ATOM 421 CA HIS A 25 -2.744 -25.273 -8.171 1.00 0.00 C ATOM 422 C HIS A 25 -3.849 -25.022 -7.122 1.00 0.00 C ATOM 423 O HIS A 25 -4.477 -25.952 -6.611 1.00 0.00 O ATOM 424 CB HIS A 25 -2.540 -26.757 -8.558 1.00 0.00 C ATOM 425 CG HIS A 25 -2.282 -26.947 -10.034 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.254 -27.087 -11.011 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.064 -26.985 -10.655 1.00 0.00 C ATOM 428 CE1 HIS A 25 -2.638 -27.198 -12.204 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.305 -27.138 -12.013 1.00 0.00 N ATOM 0 H HIS A 25 -0.938 -24.414 -8.718 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.152 -24.759 -9.041 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.702 -27.163 -7.992 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -3.424 -27.327 -8.272 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.098 -26.910 -10.179 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.131 -27.316 -13.157 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.594 -27.195 -12.742 1.00 0.00 H new ATOM 438 N ASN A 26 -4.077 -23.748 -6.786 1.00 0.00 N ATOM 439 CA ASN A 26 -4.984 -23.322 -5.716 1.00 0.00 C ATOM 440 C ASN A 26 -6.060 -22.329 -6.214 1.00 0.00 C ATOM 441 O ASN A 26 -5.773 -21.509 -7.092 1.00 0.00 O ATOM 442 CB ASN A 26 -4.125 -22.741 -4.571 1.00 0.00 C ATOM 443 CG ASN A 26 -4.057 -23.693 -3.386 1.00 0.00 C ATOM 444 OD1 ASN A 26 -4.889 -23.661 -2.492 1.00 0.00 O ATOM 445 ND2 ASN A 26 -3.094 -24.583 -3.340 1.00 0.00 N ATOM 0 H ASN A 26 -3.625 -22.967 -7.262 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.549 -24.179 -5.350 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.118 -22.541 -4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.543 -21.787 -4.249 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.044 -25.241 -2.562 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.395 -24.617 -4.082 1.00 0.00 H new ATOM 452 N PRO A 27 -7.272 -22.318 -5.614 1.00 0.00 N ATOM 453 CA PRO A 27 -8.377 -21.419 -5.988 1.00 0.00 C ATOM 454 C PRO A 27 -8.147 -19.955 -5.566 1.00 0.00 C ATOM 455 O PRO A 27 -9.011 -19.101 -5.754 1.00 0.00 O ATOM 456 CB PRO A 27 -9.612 -22.010 -5.293 1.00 0.00 C ATOM 457 CG PRO A 27 -9.032 -22.616 -4.019 1.00 0.00 C ATOM 458 CD PRO A 27 -7.689 -23.162 -4.497 1.00 0.00 C ATOM 0 HA PRO A 27 -8.482 -21.369 -7.072 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.356 -21.245 -5.073 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.102 -22.762 -5.911 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.911 -21.870 -3.233 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.670 -23.403 -3.616 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.952 -23.136 -3.695 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.782 -24.202 -4.810 1.00 0.00 H new ATOM 466 N VAL A 28 -6.987 -19.652 -4.978 1.00 0.00 N ATOM 467 CA VAL A 28 -6.634 -18.349 -4.417 1.00 0.00 C ATOM 468 C VAL A 28 -6.176 -17.402 -5.514 1.00 0.00 C ATOM 469 O VAL A 28 -6.522 -16.228 -5.500 1.00 0.00 O ATOM 470 CB VAL A 28 -5.522 -18.529 -3.381 1.00 0.00 C ATOM 471 CG1 VAL A 28 -5.318 -17.251 -2.591 1.00 0.00 C ATOM 472 CG2 VAL A 28 -5.791 -19.629 -2.348 1.00 0.00 C ATOM 0 H VAL A 28 -6.238 -20.337 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.513 -17.918 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.648 -18.805 -3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.524 -17.398 -1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.041 -16.444 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.242 -16.991 -2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.953 -19.688 -1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.703 -19.396 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.908 -20.586 -2.857 1.00 0.00 H new ATOM 482 N LEU A 29 -5.454 -17.902 -6.516 1.00 0.00 N ATOM 483 CA LEU A 29 -5.008 -17.117 -7.662 1.00 0.00 C ATOM 484 C LEU A 29 -6.204 -16.691 -8.537 1.00 0.00 C ATOM 485 O LEU A 29 -6.225 -15.572 -9.051 1.00 0.00 O ATOM 486 CB LEU A 29 -3.949 -17.931 -8.422 1.00 0.00 C ATOM 487 CG LEU A 29 -2.710 -18.272 -7.566 1.00 0.00 C ATOM 488 CD1 LEU A 29 -2.797 -19.658 -6.918 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.447 -18.239 -8.421 1.00 0.00 C ATOM 0 H LEU A 29 -5.159 -18.878 -6.553 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.546 -16.185 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.400 -18.856 -8.780 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.631 -17.370 -9.301 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.674 -17.519 -6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.898 -19.841 -6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.671 -19.702 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.883 -20.418 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.583 -18.482 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.533 -18.969 -9.226 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.321 -17.243 -8.846 1.00 0.00 H new ATOM 501 N ALA A 30 -7.256 -17.520 -8.567 1.00 0.00 N ATOM 502 CA ALA A 30 -8.597 -17.200 -9.069 1.00 0.00 C ATOM 503 C ALA A 30 -9.378 -16.165 -8.214 1.00 0.00 C ATOM 504 O ALA A 30 -10.533 -15.870 -8.522 1.00 0.00 O ATOM 505 CB ALA A 30 -9.374 -18.515 -9.227 1.00 0.00 C ATOM 0 H ALA A 30 -7.191 -18.479 -8.225 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.481 -16.702 -10.032 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.376 -18.303 -9.600 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.854 -19.162 -9.933 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.444 -19.014 -8.261 1.00 0.00 H new ATOM 511 N LYS A 31 -8.755 -15.575 -7.179 1.00 0.00 N ATOM 512 CA LYS A 31 -9.207 -14.369 -6.472 1.00 0.00 C ATOM 513 C LYS A 31 -8.161 -13.253 -6.512 1.00 0.00 C ATOM 514 O LYS A 31 -8.514 -12.114 -6.796 1.00 0.00 O ATOM 515 CB LYS A 31 -9.624 -14.667 -5.017 1.00 0.00 C ATOM 516 CG LYS A 31 -10.564 -15.877 -4.865 1.00 0.00 C ATOM 517 CD LYS A 31 -11.462 -15.795 -3.622 1.00 0.00 C ATOM 518 CE LYS A 31 -12.625 -14.818 -3.864 1.00 0.00 C ATOM 519 NZ LYS A 31 -13.598 -14.822 -2.740 1.00 0.00 N ATOM 0 H LYS A 31 -7.884 -15.944 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.091 -14.020 -7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.727 -14.841 -4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.115 -13.786 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.191 -15.955 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.967 -16.788 -4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.853 -16.784 -3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.876 -15.467 -2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.231 -13.811 -3.999 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.137 -15.086 -4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.366 -14.150 -2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.994 -15.777 -2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.116 -14.542 -1.862 1.00 0.00 H new ATOM 533 N ILE A 32 -6.877 -13.579 -6.317 1.00 0.00 N ATOM 534 CA ILE A 32 -5.767 -12.611 -6.332 1.00 0.00 C ATOM 535 C ILE A 32 -5.649 -11.952 -7.705 1.00 0.00 C ATOM 536 O ILE A 32 -5.955 -10.770 -7.843 1.00 0.00 O ATOM 537 CB ILE A 32 -4.420 -13.228 -5.895 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.427 -13.777 -4.452 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.341 -12.135 -5.977 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.278 -14.768 -4.207 1.00 0.00 C ATOM 0 H ILE A 32 -6.573 -14.537 -6.141 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.006 -11.847 -5.592 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.225 -14.068 -6.561 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.347 -12.948 -3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.379 -14.270 -4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.380 -12.549 -5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.270 -11.770 -7.001 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.607 -11.311 -5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.322 -15.129 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.372 -15.611 -4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.324 -14.268 -4.376 1.00 0.00 H new ATOM 552 N LEU A 33 -5.247 -12.702 -8.739 1.00 0.00 N ATOM 553 CA LEU A 33 -5.063 -12.129 -10.073 1.00 0.00 C ATOM 554 C LEU A 33 -6.417 -11.777 -10.698 1.00 0.00 C ATOM 555 O LEU A 33 -6.492 -10.864 -11.515 1.00 0.00 O ATOM 556 CB LEU A 33 -4.161 -13.042 -10.933 1.00 0.00 C ATOM 557 CG LEU A 33 -4.887 -13.985 -11.912 1.00 0.00 C ATOM 558 CD1 LEU A 33 -4.980 -13.402 -13.323 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.205 -15.348 -12.033 1.00 0.00 C ATOM 0 H LEU A 33 -5.045 -13.700 -8.676 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.528 -11.182 -10.006 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.481 -12.411 -11.505 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.549 -13.647 -10.264 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.883 -14.103 -11.486 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.500 -14.105 -13.974 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.530 -12.461 -13.292 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.977 -13.224 -13.710 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.759 -15.971 -12.735 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.185 -15.214 -12.393 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.184 -15.832 -11.057 1.00 0.00 H new ATOM 571 N GLU A 34 -7.493 -12.449 -10.266 1.00 0.00 N ATOM 572 CA GLU A 34 -8.849 -12.080 -10.657 1.00 0.00 C ATOM 573 C GLU A 34 -9.193 -10.652 -10.198 1.00 0.00 C ATOM 574 O GLU A 34 -9.846 -9.925 -10.945 1.00 0.00 O ATOM 575 CB GLU A 34 -9.876 -13.117 -10.174 1.00 0.00 C ATOM 576 CG GLU A 34 -11.264 -12.843 -10.773 1.00 0.00 C ATOM 577 CD GLU A 34 -12.260 -13.997 -10.538 1.00 0.00 C ATOM 578 OE1 GLU A 34 -12.251 -14.978 -11.324 1.00 0.00 O ATOM 579 OE2 GLU A 34 -13.110 -13.897 -9.618 1.00 0.00 O ATOM 0 H GLU A 34 -7.443 -13.255 -9.642 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.896 -12.081 -11.746 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.547 -14.117 -10.455 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.935 -13.095 -9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.667 -11.928 -10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.164 -12.670 -11.844 1.00 0.00 H new ATOM 586 N ASP A 35 -8.700 -10.198 -9.037 1.00 0.00 N ATOM 587 CA ASP A 35 -8.814 -8.803 -8.632 1.00 0.00 C ATOM 588 C ASP A 35 -7.858 -7.865 -9.355 1.00 0.00 C ATOM 589 O ASP A 35 -8.301 -6.799 -9.793 1.00 0.00 O ATOM 590 CB ASP A 35 -8.557 -8.630 -7.137 1.00 0.00 C ATOM 591 CG ASP A 35 -9.612 -9.203 -6.186 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.816 -9.208 -6.542 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.217 -9.557 -5.049 1.00 0.00 O ATOM 0 H ASP A 35 -8.215 -10.789 -8.361 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.837 -8.537 -8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.599 -9.093 -6.901 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.456 -7.565 -6.930 1.00 0.00 H new ATOM 598 N GLU A 36 -6.583 -8.239 -9.504 1.00 0.00 N ATOM 599 CA GLU A 36 -5.609 -7.452 -10.263 1.00 0.00 C ATOM 600 C GLU A 36 -6.073 -7.202 -11.713 1.00 0.00 C ATOM 601 O GLU A 36 -5.708 -6.189 -12.306 1.00 0.00 O ATOM 602 CB GLU A 36 -4.232 -8.140 -10.249 1.00 0.00 C ATOM 603 CG GLU A 36 -3.620 -8.508 -8.885 1.00 0.00 C ATOM 604 CD GLU A 36 -3.212 -7.338 -7.992 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.601 -6.168 -8.223 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.498 -7.542 -6.973 1.00 0.00 O ATOM 0 H GLU A 36 -6.199 -9.094 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.525 -6.481 -9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.310 -9.054 -10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.528 -7.488 -10.766 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.339 -9.120 -8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.741 -9.128 -9.060 1.00 0.00 H new ATOM 613 N GLU A 37 -6.943 -8.063 -12.256 1.00 0.00 N ATOM 614 CA GLU A 37 -7.522 -7.919 -13.600 1.00 0.00 C ATOM 615 C GLU A 37 -8.420 -6.674 -13.710 1.00 0.00 C ATOM 616 O GLU A 37 -8.473 -6.036 -14.766 1.00 0.00 O ATOM 617 CB GLU A 37 -8.319 -9.185 -13.961 1.00 0.00 C ATOM 618 CG GLU A 37 -8.594 -9.303 -15.466 1.00 0.00 C ATOM 619 CD GLU A 37 -9.414 -10.569 -15.784 1.00 0.00 C ATOM 620 OE1 GLU A 37 -8.814 -11.653 -15.992 1.00 0.00 O ATOM 621 OE2 GLU A 37 -10.665 -10.486 -15.853 1.00 0.00 O ATOM 0 H GLU A 37 -7.271 -8.895 -11.765 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.701 -7.790 -14.305 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.768 -10.064 -13.627 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.266 -9.179 -13.422 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.134 -8.421 -15.810 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.650 -9.332 -16.010 1.00 0.00 H new ATOM 628 N LYS A 38 -9.085 -6.291 -12.608 1.00 0.00 N ATOM 629 CA LYS A 38 -9.797 -5.009 -12.503 1.00 0.00 C ATOM 630 C LYS A 38 -8.847 -3.876 -12.158 1.00 0.00 C ATOM 631 O LYS A 38 -8.960 -2.821 -12.762 1.00 0.00 O ATOM 632 CB LYS A 38 -10.896 -4.998 -11.428 1.00 0.00 C ATOM 633 CG LYS A 38 -11.990 -6.070 -11.515 1.00 0.00 C ATOM 634 CD LYS A 38 -11.729 -7.279 -10.608 1.00 0.00 C ATOM 635 CE LYS A 38 -12.017 -7.086 -9.103 1.00 0.00 C ATOM 636 NZ LYS A 38 -11.014 -6.268 -8.373 1.00 0.00 N ATOM 0 H LYS A 38 -9.144 -6.862 -11.765 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.251 -4.873 -13.485 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.414 -5.089 -10.455 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.380 -4.022 -11.454 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.948 -5.624 -11.247 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.074 -6.410 -12.547 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.334 -8.112 -10.967 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.685 -7.571 -10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.995 -6.618 -8.992 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.077 -8.067 -8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.915 -6.626 -7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.097 -6.328 -8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.328 -5.277 -8.346 1.00 0.00 H new ATOM 650 N HIS A 39 -7.949 -4.064 -11.182 1.00 0.00 N ATOM 651 CA HIS A 39 -7.221 -3.015 -10.471 1.00 0.00 C ATOM 652 C HIS A 39 -6.597 -1.940 -11.366 1.00 0.00 C ATOM 653 O HIS A 39 -6.720 -0.750 -11.077 1.00 0.00 O ATOM 654 CB HIS A 39 -6.128 -3.700 -9.665 1.00 0.00 C ATOM 655 CG HIS A 39 -6.505 -4.232 -8.316 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.575 -4.389 -7.285 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.751 -4.575 -7.873 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.300 -4.810 -6.231 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.598 -4.939 -6.556 1.00 0.00 N ATOM 0 H HIS A 39 -7.702 -4.998 -10.854 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.941 -2.481 -9.851 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.739 -4.528 -10.258 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.311 -2.991 -9.532 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.669 -4.563 -8.442 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.892 -5.017 -5.253 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.342 -5.253 -5.933 1.00 0.00 H new ATOM 667 N ILE A 40 -5.957 -2.360 -12.458 1.00 0.00 N ATOM 668 CA ILE A 40 -5.329 -1.431 -13.416 1.00 0.00 C ATOM 669 C ILE A 40 -6.371 -0.524 -14.076 1.00 0.00 C ATOM 670 O ILE A 40 -6.213 0.695 -14.076 1.00 0.00 O ATOM 671 CB ILE A 40 -4.493 -2.205 -14.460 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.364 -2.932 -13.708 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.889 -1.291 -15.543 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.372 -3.660 -14.615 1.00 0.00 C ATOM 0 H ILE A 40 -5.856 -3.344 -12.708 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.648 -0.782 -12.865 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.150 -2.904 -14.978 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.820 -2.207 -13.103 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.807 -3.653 -13.020 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.313 -1.892 -16.247 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.690 -0.778 -16.075 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.235 -0.555 -15.075 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.610 -4.145 -14.005 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.900 -4.412 -15.202 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.898 -2.943 -15.286 1.00 0.00 H new ATOM 686 N GLU A 41 -7.467 -1.088 -14.587 1.00 0.00 N ATOM 687 CA GLU A 41 -8.584 -0.295 -15.110 1.00 0.00 C ATOM 688 C GLU A 41 -9.344 0.453 -14.006 1.00 0.00 C ATOM 689 O GLU A 41 -9.770 1.581 -14.227 1.00 0.00 O ATOM 690 CB GLU A 41 -9.518 -1.164 -15.968 1.00 0.00 C ATOM 691 CG GLU A 41 -8.915 -1.374 -17.365 1.00 0.00 C ATOM 692 CD GLU A 41 -9.834 -2.217 -18.271 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.938 -1.742 -18.639 1.00 0.00 O ATOM 694 OE2 GLU A 41 -9.451 -3.351 -18.648 1.00 0.00 O ATOM 0 H GLU A 41 -7.606 -2.096 -14.650 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.160 0.475 -15.754 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.676 -2.128 -15.484 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.494 -0.686 -16.054 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.736 -0.405 -17.832 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.947 -1.867 -17.272 1.00 0.00 H new ATOM 701 N TRP A 42 -9.449 -0.102 -12.799 1.00 0.00 N ATOM 702 CA TRP A 42 -10.037 0.547 -11.626 1.00 0.00 C ATOM 703 C TRP A 42 -9.392 1.889 -11.246 1.00 0.00 C ATOM 704 O TRP A 42 -10.130 2.800 -10.876 1.00 0.00 O ATOM 705 CB TRP A 42 -10.057 -0.480 -10.475 1.00 0.00 C ATOM 706 CG TRP A 42 -11.291 -1.314 -10.340 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.306 -1.397 -11.232 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.652 -2.206 -9.241 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.295 -2.223 -10.730 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.945 -2.748 -9.502 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.004 -2.623 -8.057 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.580 -3.627 -8.611 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.627 -3.511 -7.160 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.923 -3.994 -7.422 1.00 0.00 C ATOM 0 H TRP A 42 -9.117 -1.046 -12.604 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.057 0.845 -11.868 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.206 -1.149 -10.602 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.904 0.056 -9.538 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.338 -0.896 -12.188 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.174 -2.420 -11.208 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.013 -2.254 -7.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.562 -4.017 -8.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.108 -3.823 -6.266 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.412 -4.645 -6.712 1.00 0.00 H new ATOM 725 N LEU A 43 -8.075 2.078 -11.411 1.00 0.00 N ATOM 726 CA LEU A 43 -7.416 3.386 -11.219 1.00 0.00 C ATOM 727 C LEU A 43 -7.266 4.231 -12.500 1.00 0.00 C ATOM 728 O LEU A 43 -7.136 5.451 -12.410 1.00 0.00 O ATOM 729 CB LEU A 43 -6.121 3.220 -10.409 1.00 0.00 C ATOM 730 CG LEU A 43 -5.048 2.378 -11.111 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.986 3.263 -11.757 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.346 1.453 -10.125 1.00 0.00 C ATOM 0 H LEU A 43 -7.434 1.332 -11.681 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.094 3.998 -10.624 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.710 4.207 -10.194 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.361 2.759 -9.451 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.561 1.793 -11.875 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.240 2.637 -12.246 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.455 3.914 -12.495 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.504 3.871 -10.991 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.591 0.868 -10.650 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.869 2.047 -9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.076 0.781 -9.673 1.00 0.00 H new ATOM 744 N GLU A 44 -7.371 3.632 -13.690 1.00 0.00 N ATOM 745 CA GLU A 44 -7.468 4.356 -14.968 1.00 0.00 C ATOM 746 C GLU A 44 -8.834 5.017 -15.161 1.00 0.00 C ATOM 747 O GLU A 44 -8.903 6.190 -15.524 1.00 0.00 O ATOM 748 CB GLU A 44 -7.203 3.369 -16.121 1.00 0.00 C ATOM 749 CG GLU A 44 -6.005 3.741 -17.011 1.00 0.00 C ATOM 750 CD GLU A 44 -6.326 4.693 -18.187 1.00 0.00 C ATOM 751 OE1 GLU A 44 -7.491 5.118 -18.371 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.394 5.001 -18.969 1.00 0.00 O ATOM 0 H GLU A 44 -7.392 2.618 -13.798 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.723 5.152 -14.961 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.035 2.377 -15.703 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.096 3.306 -16.742 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.241 4.205 -16.388 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.574 2.824 -17.414 1.00 0.00 H new ATOM 759 N THR A 45 -9.924 4.310 -14.846 1.00 0.00 N ATOM 760 CA THR A 45 -11.295 4.823 -14.920 1.00 0.00 C ATOM 761 C THR A 45 -11.463 6.156 -14.179 1.00 0.00 C ATOM 762 O THR A 45 -12.207 7.031 -14.628 1.00 0.00 O ATOM 763 CB THR A 45 -12.279 3.753 -14.426 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.384 2.743 -15.412 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.698 4.254 -14.166 1.00 0.00 C ATOM 0 H THR A 45 -9.876 3.343 -14.525 1.00 0.00 H new ATOM 0 HA THR A 45 -11.521 5.040 -15.964 1.00 0.00 H new ATOM 0 HB THR A 45 -11.873 3.404 -13.476 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.639 2.114 -15.316 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.318 3.427 -13.821 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.675 5.033 -13.404 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.115 4.660 -15.088 1.00 0.00 H new ATOM 773 N ILE A 46 -10.731 6.347 -13.075 1.00 0.00 N ATOM 774 CA ILE A 46 -10.756 7.586 -12.284 1.00 0.00 C ATOM 775 C ILE A 46 -10.174 8.799 -13.022 1.00 0.00 C ATOM 776 O ILE A 46 -10.704 9.904 -12.889 1.00 0.00 O ATOM 777 CB ILE A 46 -10.033 7.406 -10.927 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.350 6.070 -10.229 1.00 0.00 C ATOM 779 CG2 ILE A 46 -10.357 8.568 -9.972 1.00 0.00 C ATOM 780 CD1 ILE A 46 -11.840 5.743 -10.041 1.00 0.00 C ATOM 0 H ILE A 46 -10.098 5.640 -12.701 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.812 7.792 -12.110 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.969 7.401 -11.165 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.892 5.265 -10.804 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.873 6.073 -9.249 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.837 8.417 -9.026 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.032 9.508 -10.419 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.432 8.603 -9.793 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -11.941 4.780 -9.540 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.309 6.518 -9.435 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.328 5.698 -11.014 1.00 0.00 H new ATOM 792 N LEU A 47 -9.092 8.617 -13.789 1.00 0.00 N ATOM 793 CA LEU A 47 -8.292 9.748 -14.290 1.00 0.00 C ATOM 794 C LEU A 47 -9.009 10.636 -15.329 1.00 0.00 C ATOM 795 O LEU A 47 -8.624 11.795 -15.511 1.00 0.00 O ATOM 796 CB LEU A 47 -6.881 9.285 -14.713 1.00 0.00 C ATOM 797 CG LEU A 47 -6.700 8.689 -16.127 1.00 0.00 C ATOM 798 CD1 LEU A 47 -6.486 9.749 -17.214 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.457 7.795 -16.148 1.00 0.00 C ATOM 0 H LEU A 47 -8.749 7.701 -14.077 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.162 10.430 -13.449 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.210 10.139 -14.624 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.546 8.539 -13.992 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.620 8.145 -16.339 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.366 9.260 -18.181 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.349 10.414 -17.248 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.591 10.328 -16.987 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.328 7.374 -17.145 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.579 8.386 -15.888 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.577 6.987 -15.426 1.00 0.00 H new ATOM 811 N GLY A 48 -10.061 10.124 -15.980 1.00 0.00 N ATOM 812 CA GLY A 48 -10.845 10.847 -16.992 1.00 0.00 C ATOM 813 C GLY A 48 -12.279 10.333 -17.204 1.00 0.00 C ATOM 814 O GLY A 48 -12.907 10.639 -18.218 1.00 0.00 O ATOM 0 H GLY A 48 -10.399 9.176 -15.815 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.892 11.898 -16.708 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.314 10.797 -17.943 1.00 0.00 H new HETATM 818 N NH2 A 49 -12.827 9.543 -16.288 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 9.408 -20.388 -4.212 1.00 0.00 C HETATM 823 O ACE B 0 8.626 -19.685 -3.576 1.00 0.00 O HETATM 824 CH3 ACE B 0 9.099 -21.844 -4.463 1.00 0.00 C HETATM 0 H1 ACE B 0 9.049 -22.025 -5.537 1.00 0.00 H new HETATM 0 H2 ACE B 0 9.883 -22.463 -4.027 1.00 0.00 H new HETATM 0 H3 ACE B 0 8.142 -22.097 -4.007 1.00 0.00 H new ATOM 828 N ASP B 1 10.547 -19.936 -4.732 1.00 0.00 N ATOM 829 CA ASP B 1 11.070 -18.565 -4.575 1.00 0.00 C ATOM 830 C ASP B 1 10.098 -17.462 -5.036 1.00 0.00 C ATOM 831 O ASP B 1 10.128 -16.335 -4.535 1.00 0.00 O ATOM 832 CB ASP B 1 12.384 -18.467 -5.360 1.00 0.00 C ATOM 833 CG ASP B 1 13.198 -17.213 -4.994 1.00 0.00 C ATOM 834 OD1 ASP B 1 13.660 -17.109 -3.831 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.416 -16.348 -5.878 1.00 0.00 O ATOM 0 H ASP B 1 11.158 -20.528 -5.295 1.00 0.00 H new ATOM 0 HA ASP B 1 11.219 -18.392 -3.509 1.00 0.00 H new ATOM 0 HB2 ASP B 1 12.985 -19.355 -5.167 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.165 -18.455 -6.428 1.00 0.00 H new ATOM 840 N TYR B 2 9.201 -17.810 -5.962 1.00 0.00 N ATOM 841 CA TYR B 2 8.167 -16.937 -6.526 1.00 0.00 C ATOM 842 C TYR B 2 7.337 -16.223 -5.457 1.00 0.00 C ATOM 843 O TYR B 2 7.076 -15.032 -5.577 1.00 0.00 O ATOM 844 CB TYR B 2 7.205 -17.745 -7.418 1.00 0.00 C ATOM 845 CG TYR B 2 7.817 -18.912 -8.168 1.00 0.00 C ATOM 846 CD1 TYR B 2 8.861 -18.691 -9.085 1.00 0.00 C ATOM 847 CD2 TYR B 2 7.367 -20.221 -7.911 1.00 0.00 C ATOM 848 CE1 TYR B 2 9.459 -19.784 -9.740 1.00 0.00 C ATOM 849 CE2 TYR B 2 7.957 -21.314 -8.570 1.00 0.00 C ATOM 850 CZ TYR B 2 9.009 -21.099 -9.489 1.00 0.00 C ATOM 851 OH TYR B 2 9.588 -22.158 -10.119 1.00 0.00 O ATOM 0 H TYR B 2 9.174 -18.750 -6.357 1.00 0.00 H new ATOM 0 HA TYR B 2 8.699 -16.184 -7.107 1.00 0.00 H new ATOM 0 HB2 TYR B 2 6.395 -18.124 -6.795 1.00 0.00 H new ATOM 0 HB3 TYR B 2 6.758 -17.066 -8.144 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.202 -17.686 -9.286 1.00 0.00 H new ATOM 0 HD2 TYR B 2 6.566 -20.386 -7.205 1.00 0.00 H new ATOM 0 HE1 TYR B 2 10.266 -19.616 -10.438 1.00 0.00 H new ATOM 0 HE2 TYR B 2 7.607 -22.317 -8.374 1.00 0.00 H new ATOM 0 HH TYR B 2 9.156 -22.988 -9.828 1.00 0.00 H new ATOM 861 N LEU B 3 6.929 -16.939 -4.406 1.00 0.00 N ATOM 862 CA LEU B 3 6.019 -16.439 -3.364 1.00 0.00 C ATOM 863 C LEU B 3 6.661 -15.309 -2.549 1.00 0.00 C ATOM 864 O LEU B 3 5.998 -14.323 -2.217 1.00 0.00 O ATOM 865 CB LEU B 3 5.597 -17.612 -2.463 1.00 0.00 C ATOM 866 CG LEU B 3 4.749 -18.656 -3.210 1.00 0.00 C ATOM 867 CD1 LEU B 3 4.730 -19.970 -2.431 1.00 0.00 C ATOM 868 CD2 LEU B 3 3.291 -18.212 -3.389 1.00 0.00 C ATOM 0 H LEU B 3 7.226 -17.902 -4.250 1.00 0.00 H new ATOM 0 HA LEU B 3 5.134 -16.014 -3.838 1.00 0.00 H new ATOM 0 HB2 LEU B 3 6.487 -18.094 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU B 3 5.030 -17.228 -1.615 1.00 0.00 H new ATOM 0 HG LEU B 3 5.208 -18.776 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU B 3 4.127 -20.703 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU B 3 5.748 -20.345 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.301 -19.801 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU B 3 2.738 -18.985 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU B 3 2.837 -18.050 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.261 -17.285 -3.961 1.00 0.00 H new ATOM 880 N ARG B 4 7.971 -15.418 -2.296 1.00 0.00 N ATOM 881 CA ARG B 4 8.776 -14.346 -1.688 1.00 0.00 C ATOM 882 C ARG B 4 8.878 -13.119 -2.599 1.00 0.00 C ATOM 883 O ARG B 4 8.780 -11.992 -2.123 1.00 0.00 O ATOM 884 CB ARG B 4 10.169 -14.880 -1.301 1.00 0.00 C ATOM 885 CG ARG B 4 10.875 -13.923 -0.327 1.00 0.00 C ATOM 886 CD ARG B 4 12.245 -14.458 0.101 1.00 0.00 C ATOM 887 NE ARG B 4 12.821 -13.629 1.179 1.00 0.00 N ATOM 888 CZ ARG B 4 13.947 -13.851 1.834 1.00 0.00 C ATOM 889 NH1 ARG B 4 14.737 -14.846 1.538 1.00 0.00 N ATOM 890 NH2 ARG B 4 14.303 -13.070 2.814 1.00 0.00 N ATOM 0 H ARG B 4 8.508 -16.259 -2.508 1.00 0.00 H new ATOM 0 HA ARG B 4 8.268 -14.018 -0.781 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.071 -15.864 -0.842 1.00 0.00 H new ATOM 0 HB3 ARG B 4 10.776 -15.005 -2.197 1.00 0.00 H new ATOM 0 HG2 ARG B 4 10.996 -12.948 -0.799 1.00 0.00 H new ATOM 0 HG3 ARG B 4 10.251 -13.775 0.554 1.00 0.00 H new ATOM 0 HD2 ARG B 4 12.147 -15.489 0.442 1.00 0.00 H new ATOM 0 HD3 ARG B 4 12.920 -14.468 -0.755 1.00 0.00 H new ATOM 0 HE ARG B 4 12.294 -12.797 1.446 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.493 -15.483 0.779 1.00 0.00 H new ATOM 0 HH12 ARG B 4 15.599 -14.987 2.065 1.00 0.00 H new ATOM 0 HH21 ARG B 4 13.712 -12.282 3.079 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.173 -13.246 3.316 1.00 0.00 H new ATOM 904 N GLU B 5 9.039 -13.319 -3.906 1.00 0.00 N ATOM 905 CA GLU B 5 9.118 -12.217 -4.877 1.00 0.00 C ATOM 906 C GLU B 5 7.753 -11.539 -5.134 1.00 0.00 C ATOM 907 O GLU B 5 7.684 -10.324 -5.327 1.00 0.00 O ATOM 908 CB GLU B 5 9.776 -12.738 -6.162 1.00 0.00 C ATOM 909 CG GLU B 5 10.065 -11.620 -7.171 1.00 0.00 C ATOM 910 CD GLU B 5 11.249 -11.983 -8.090 1.00 0.00 C ATOM 911 OE1 GLU B 5 11.054 -12.709 -9.094 1.00 0.00 O ATOM 912 OE2 GLU B 5 12.390 -11.532 -7.817 1.00 0.00 O ATOM 0 H GLU B 5 9.119 -14.245 -4.326 1.00 0.00 H new ATOM 0 HA GLU B 5 9.738 -11.424 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.708 -13.244 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.125 -13.480 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU B 5 9.177 -11.435 -7.775 1.00 0.00 H new ATOM 0 HG3 GLU B 5 10.286 -10.695 -6.638 1.00 0.00 H new ATOM 919 N LEU B 6 6.661 -12.307 -5.065 1.00 0.00 N ATOM 920 CA LEU B 6 5.265 -11.865 -5.159 1.00 0.00 C ATOM 921 C LEU B 6 4.888 -10.866 -4.052 1.00 0.00 C ATOM 922 O LEU B 6 4.489 -9.735 -4.330 1.00 0.00 O ATOM 923 CB LEU B 6 4.369 -13.125 -5.084 1.00 0.00 C ATOM 924 CG LEU B 6 3.711 -13.553 -6.400 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.653 -13.685 -7.601 1.00 0.00 C ATOM 926 CD2 LEU B 6 3.031 -14.913 -6.208 1.00 0.00 C ATOM 0 H LEU B 6 6.732 -13.316 -4.934 1.00 0.00 H new ATOM 0 HA LEU B 6 5.121 -11.337 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.971 -13.955 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.585 -12.947 -4.348 1.00 0.00 H new ATOM 0 HG LEU B 6 3.014 -12.748 -6.632 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.083 -13.992 -8.478 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.130 -12.725 -7.796 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.416 -14.432 -7.384 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.562 -15.220 -7.143 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.775 -15.654 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.272 -14.834 -5.430 1.00 0.00 H new ATOM 938 N LEU B 7 5.012 -11.292 -2.793 1.00 0.00 N ATOM 939 CA LEU B 7 4.575 -10.555 -1.613 1.00 0.00 C ATOM 940 C LEU B 7 5.441 -9.308 -1.301 1.00 0.00 C ATOM 941 O LEU B 7 4.964 -8.365 -0.666 1.00 0.00 O ATOM 942 CB LEU B 7 4.375 -11.597 -0.484 1.00 0.00 C ATOM 943 CG LEU B 7 5.227 -11.450 0.775 1.00 0.00 C ATOM 944 CD1 LEU B 7 4.655 -12.296 1.917 1.00 0.00 C ATOM 945 CD2 LEU B 7 6.670 -11.907 0.578 1.00 0.00 C ATOM 0 H LEU B 7 5.435 -12.191 -2.563 1.00 0.00 H new ATOM 0 HA LEU B 7 3.615 -10.064 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU B 7 3.327 -11.571 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU B 7 4.563 -12.586 -0.903 1.00 0.00 H new ATOM 0 HG LEU B 7 5.211 -10.385 1.009 1.00 0.00 H new ATOM 0 HD11 LEU B 7 5.277 -12.177 2.804 1.00 0.00 H new ATOM 0 HD12 LEU B 7 3.639 -11.969 2.139 1.00 0.00 H new ATOM 0 HD13 LEU B 7 4.642 -13.345 1.621 1.00 0.00 H new ATOM 0 HD21 LEU B 7 7.223 -11.777 1.508 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.683 -12.959 0.292 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.136 -11.312 -0.207 1.00 0.00 H new ATOM 957 N LYS B 8 6.685 -9.261 -1.801 1.00 0.00 N ATOM 958 CA LYS B 8 7.686 -8.200 -1.569 1.00 0.00 C ATOM 959 C LYS B 8 7.674 -7.166 -2.706 1.00 0.00 C ATOM 960 O LYS B 8 8.563 -7.131 -3.559 1.00 0.00 O ATOM 961 CB LYS B 8 9.050 -8.875 -1.359 1.00 0.00 C ATOM 962 CG LYS B 8 10.116 -7.964 -0.727 1.00 0.00 C ATOM 963 CD LYS B 8 11.425 -8.729 -0.443 1.00 0.00 C ATOM 964 CE LYS B 8 12.471 -8.615 -1.565 1.00 0.00 C ATOM 965 NZ LYS B 8 13.165 -7.298 -1.546 1.00 0.00 N ATOM 0 H LYS B 8 7.042 -9.998 -2.410 1.00 0.00 H new ATOM 0 HA LYS B 8 7.447 -7.628 -0.672 1.00 0.00 H new ATOM 0 HB2 LYS B 8 8.915 -9.751 -0.725 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.418 -9.232 -2.321 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.321 -7.127 -1.394 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.731 -7.544 0.202 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.859 -8.354 0.484 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.192 -9.782 -0.283 1.00 0.00 H new ATOM 0 HE2 LYS B 8 13.205 -9.414 -1.459 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.985 -8.755 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 13.862 -7.261 -2.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 12.468 -6.536 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 13.651 -7.175 -0.635 1.00 0.00 H new ATOM 979 N GLY B 9 6.613 -6.359 -2.745 1.00 0.00 N ATOM 980 CA GLY B 9 6.314 -5.413 -3.811 1.00 0.00 C ATOM 981 C GLY B 9 4.855 -4.974 -3.878 1.00 0.00 C ATOM 982 O GLY B 9 4.567 -3.811 -4.146 1.00 0.00 O ATOM 0 H GLY B 9 5.913 -6.349 -2.003 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.940 -4.530 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.589 -5.862 -4.765 1.00 0.00 H new ATOM 986 N GLU B 10 3.932 -5.865 -3.524 1.00 0.00 N ATOM 987 CA GLU B 10 2.506 -5.547 -3.333 1.00 0.00 C ATOM 988 C GLU B 10 2.296 -4.394 -2.330 1.00 0.00 C ATOM 989 O GLU B 10 1.427 -3.549 -2.531 1.00 0.00 O ATOM 990 CB GLU B 10 1.769 -6.822 -2.871 1.00 0.00 C ATOM 991 CG GLU B 10 1.591 -7.915 -3.943 1.00 0.00 C ATOM 992 CD GLU B 10 0.248 -7.802 -4.666 1.00 0.00 C ATOM 993 OE1 GLU B 10 -0.062 -6.958 -5.526 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.794 -8.437 -4.406 1.00 0.00 O ATOM 0 H GLU B 10 4.151 -6.847 -3.357 1.00 0.00 H new ATOM 0 HA GLU B 10 2.096 -5.206 -4.283 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.313 -7.250 -2.029 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.784 -6.537 -2.502 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.400 -7.844 -4.670 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.668 -8.896 -3.475 1.00 0.00 H new ATOM 1001 N LEU B 11 3.143 -4.275 -1.298 1.00 0.00 N ATOM 1002 CA LEU B 11 3.105 -3.234 -0.279 1.00 0.00 C ATOM 1003 C LEU B 11 3.844 -1.950 -0.651 1.00 0.00 C ATOM 1004 O LEU B 11 3.507 -0.875 -0.153 1.00 0.00 O ATOM 1005 CB LEU B 11 3.548 -3.909 1.026 1.00 0.00 C ATOM 1006 CG LEU B 11 5.063 -3.862 1.268 1.00 0.00 C ATOM 1007 CD1 LEU B 11 5.407 -2.717 2.221 1.00 0.00 C ATOM 1008 CD2 LEU B 11 5.565 -5.185 1.836 1.00 0.00 C ATOM 0 H LEU B 11 3.906 -4.936 -1.150 1.00 0.00 H new ATOM 0 HA LEU B 11 2.096 -2.838 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.041 -3.428 1.863 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.224 -4.950 1.013 1.00 0.00 H new ATOM 0 HG LEU B 11 5.557 -3.692 0.311 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.484 -2.692 2.386 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.085 -1.771 1.785 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.897 -2.870 3.172 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.641 -5.126 1.999 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.065 -5.387 2.783 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.348 -5.989 1.133 1.00 0.00 H new ATOM 1020 N GLN B 12 4.732 -2.047 -1.638 1.00 0.00 N ATOM 1021 CA GLN B 12 5.176 -0.921 -2.439 1.00 0.00 C ATOM 1022 C GLN B 12 4.021 -0.357 -3.304 1.00 0.00 C ATOM 1023 O GLN B 12 4.140 0.753 -3.821 1.00 0.00 O ATOM 1024 CB GLN B 12 6.418 -1.341 -3.249 1.00 0.00 C ATOM 1025 CG GLN B 12 7.434 -0.201 -3.396 1.00 0.00 C ATOM 1026 CD GLN B 12 8.751 -0.709 -3.980 1.00 0.00 C ATOM 1027 OE1 GLN B 12 9.695 -1.034 -3.270 1.00 0.00 O ATOM 1028 NE2 GLN B 12 8.870 -0.816 -5.287 1.00 0.00 N ATOM 0 H GLN B 12 5.168 -2.930 -1.904 1.00 0.00 H new ATOM 0 HA GLN B 12 5.473 -0.093 -1.795 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.897 -2.190 -2.761 1.00 0.00 H new ATOM 0 HB3 GLN B 12 6.107 -1.676 -4.238 1.00 0.00 H new ATOM 0 HG2 GLN B 12 7.023 0.576 -4.041 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.616 0.255 -2.423 1.00 0.00 H new ATOM 0 HE21 GLN B 12 8.094 -0.550 -5.893 1.00 0.00 H new ATOM 0 HE22 GLN B 12 9.738 -1.165 -5.693 1.00 0.00 H new ATOM 1037 N GLY B 13 2.879 -1.063 -3.380 1.00 0.00 N ATOM 1038 CA GLY B 13 1.584 -0.533 -3.811 1.00 0.00 C ATOM 1039 C GLY B 13 0.713 -0.072 -2.634 1.00 0.00 C ATOM 1040 O GLY B 13 0.269 1.073 -2.644 1.00 0.00 O ATOM 0 H GLY B 13 2.836 -2.052 -3.133 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.746 0.305 -4.488 1.00 0.00 H new ATOM 0 HA3 GLY B 13 1.051 -1.299 -4.374 1.00 0.00 H new ATOM 1044 N ILE B 14 0.519 -0.896 -1.588 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.351 -0.573 -0.422 1.00 0.00 C ATOM 1046 C ILE B 14 -0.038 0.810 0.168 1.00 0.00 C ATOM 1047 O ILE B 14 -0.935 1.647 0.302 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.281 -1.650 0.696 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.756 -3.034 0.204 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.127 -1.256 1.926 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.401 -4.189 1.150 1.00 0.00 C ATOM 0 H ILE B 14 0.961 -1.813 -1.519 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.368 -0.562 -0.814 1.00 0.00 H new ATOM 0 HB ILE B 14 0.770 -1.710 0.978 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.837 -3.008 0.068 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.317 -3.231 -0.774 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.051 -2.035 2.684 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.759 -0.315 2.334 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.169 -1.139 1.629 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.769 -5.127 0.733 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.681 -4.244 1.267 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.863 -4.018 2.122 1.00 0.00 H new ATOM 1063 N LYS B 15 1.236 1.073 0.498 1.00 0.00 N ATOM 1064 CA LYS B 15 1.648 2.335 1.132 1.00 0.00 C ATOM 1065 C LYS B 15 1.480 3.553 0.215 1.00 0.00 C ATOM 1066 O LYS B 15 1.126 4.637 0.677 1.00 0.00 O ATOM 1067 CB LYS B 15 3.087 2.229 1.670 1.00 0.00 C ATOM 1068 CG LYS B 15 3.127 1.451 2.997 1.00 0.00 C ATOM 1069 CD LYS B 15 4.533 1.464 3.615 1.00 0.00 C ATOM 1070 CE LYS B 15 4.485 0.910 5.045 1.00 0.00 C ATOM 1071 NZ LYS B 15 5.817 0.975 5.705 1.00 0.00 N ATOM 0 H LYS B 15 2.004 0.422 0.334 1.00 0.00 H new ATOM 0 HA LYS B 15 0.974 2.499 1.973 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.718 1.731 0.934 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.498 3.228 1.818 1.00 0.00 H new ATOM 0 HG2 LYS B 15 2.416 1.889 3.698 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.813 0.421 2.826 1.00 0.00 H new ATOM 0 HD2 LYS B 15 5.211 0.865 3.007 1.00 0.00 H new ATOM 0 HD3 LYS B 15 4.926 2.481 3.623 1.00 0.00 H new ATOM 0 HE2 LYS B 15 3.761 1.476 5.631 1.00 0.00 H new ATOM 0 HE3 LYS B 15 4.139 -0.124 5.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.746 0.592 6.669 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.502 0.414 5.160 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.135 1.964 5.748 1.00 0.00 H new ATOM 1085 N GLN B 16 1.674 3.360 -1.088 1.00 0.00 N ATOM 1086 CA GLN B 16 1.533 4.384 -2.119 1.00 0.00 C ATOM 1087 C GLN B 16 0.068 4.717 -2.414 1.00 0.00 C ATOM 1088 O GLN B 16 -0.283 5.889 -2.534 1.00 0.00 O ATOM 1089 CB GLN B 16 2.279 3.908 -3.376 1.00 0.00 C ATOM 1090 CG GLN B 16 3.760 4.324 -3.379 1.00 0.00 C ATOM 1091 CD GLN B 16 4.529 3.956 -2.110 1.00 0.00 C ATOM 1092 OE1 GLN B 16 4.727 4.759 -1.208 1.00 0.00 O ATOM 1093 NE2 GLN B 16 4.987 2.731 -1.984 1.00 0.00 N ATOM 0 H GLN B 16 1.944 2.453 -1.468 1.00 0.00 H new ATOM 0 HA GLN B 16 1.973 5.315 -1.762 1.00 0.00 H new ATOM 0 HB2 GLN B 16 2.210 2.822 -3.445 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.789 4.315 -4.261 1.00 0.00 H new ATOM 0 HG2 GLN B 16 4.252 3.859 -4.233 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.820 5.403 -3.524 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.831 2.049 -2.726 1.00 0.00 H new ATOM 0 HE22 GLN B 16 5.499 2.462 -1.144 1.00 0.00 H new ATOM 1102 N TYR B 17 -0.809 3.715 -2.439 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.252 3.901 -2.561 1.00 0.00 C ATOM 1104 C TYR B 17 -2.838 4.712 -1.404 1.00 0.00 C ATOM 1105 O TYR B 17 -3.673 5.592 -1.629 1.00 0.00 O ATOM 1106 CB TYR B 17 -2.946 2.537 -2.612 1.00 0.00 C ATOM 1107 CG TYR B 17 -2.884 1.798 -3.936 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.222 2.463 -5.131 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.552 0.428 -3.970 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.211 1.770 -6.352 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.551 -0.272 -5.193 1.00 0.00 C ATOM 1112 CZ TYR B 17 -2.889 0.399 -6.388 1.00 0.00 C ATOM 1113 OH TYR B 17 -2.988 -0.284 -7.560 1.00 0.00 O ATOM 0 H TYR B 17 -0.531 2.736 -2.374 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.426 4.458 -3.482 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.506 1.901 -1.844 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -3.994 2.677 -2.347 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.490 3.509 -5.108 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.298 -0.087 -3.055 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.450 2.290 -7.268 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.292 -1.320 -5.216 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.952 -1.247 -7.381 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.385 4.450 -0.170 1.00 0.00 N ATOM 1124 CA ARG B 18 -2.866 5.175 1.016 1.00 0.00 C ATOM 1125 C ARG B 18 -2.570 6.679 0.924 1.00 0.00 C ATOM 1126 O ARG B 18 -3.383 7.505 1.339 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.308 4.530 2.287 1.00 0.00 C ATOM 1128 CG ARG B 18 -2.851 5.173 3.574 1.00 0.00 C ATOM 1129 CD ARG B 18 -2.350 4.446 4.828 1.00 0.00 C ATOM 1130 NE ARG B 18 -2.811 5.130 6.053 1.00 0.00 N ATOM 1131 CZ ARG B 18 -2.581 4.765 7.303 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -1.904 3.692 7.600 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -3.033 5.482 8.292 1.00 0.00 N ATOM 0 H ARG B 18 -1.683 3.738 0.034 1.00 0.00 H new ATOM 0 HA ARG B 18 -3.952 5.095 1.060 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -2.553 3.468 2.287 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -1.221 4.607 2.280 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -2.547 6.219 3.614 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -3.941 5.158 3.556 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -2.709 3.417 4.824 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -1.261 4.404 4.818 1.00 0.00 H new ATOM 0 HE ARG B 18 -3.367 5.975 5.921 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -1.531 3.102 6.856 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -1.747 3.442 8.576 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -3.568 6.330 8.104 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -2.852 5.195 9.254 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.429 7.031 0.332 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.015 8.412 0.058 1.00 0.00 C ATOM 1149 C GLU B 19 -1.740 9.029 -1.156 1.00 0.00 C ATOM 1150 O GLU B 19 -2.141 10.188 -1.120 1.00 0.00 O ATOM 1151 CB GLU B 19 0.506 8.400 -0.165 1.00 0.00 C ATOM 1152 CG GLU B 19 1.143 9.783 0.012 1.00 0.00 C ATOM 1153 CD GLU B 19 2.682 9.681 0.006 1.00 0.00 C ATOM 1154 OE1 GLU B 19 3.297 9.744 -1.087 1.00 0.00 O ATOM 1155 OE2 GLU B 19 3.290 9.547 1.096 1.00 0.00 O ATOM 0 H GLU B 19 -0.744 6.343 0.019 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.286 9.038 0.908 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.966 7.701 0.534 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.719 8.033 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU B 19 0.815 10.445 -0.789 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.807 10.226 0.949 1.00 0.00 H new ATOM 1162 N ALA B 20 -1.953 8.255 -2.221 1.00 0.00 N ATOM 1163 CA ALA B 20 -2.534 8.672 -3.499 1.00 0.00 C ATOM 1164 C ALA B 20 -3.979 9.181 -3.389 1.00 0.00 C ATOM 1165 O ALA B 20 -4.372 10.071 -4.148 1.00 0.00 O ATOM 1166 CB ALA B 20 -2.446 7.507 -4.492 1.00 0.00 C ATOM 0 H ALA B 20 -1.711 7.264 -2.215 1.00 0.00 H new ATOM 0 HA ALA B 20 -1.953 9.523 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -2.877 7.809 -5.447 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.402 7.230 -4.636 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -2.997 6.652 -4.100 1.00 0.00 H new ATOM 1172 N LEU B 21 -4.746 8.684 -2.411 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.084 9.188 -2.091 1.00 0.00 C ATOM 1174 C LEU B 21 -6.079 10.689 -1.783 1.00 0.00 C ATOM 1175 O LEU B 21 -7.090 11.344 -2.020 1.00 0.00 O ATOM 1176 CB LEU B 21 -6.723 8.346 -0.974 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.238 8.575 -0.765 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -8.919 7.267 -0.356 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -8.545 9.587 0.345 1.00 0.00 C ATOM 0 H LEU B 21 -4.450 7.912 -1.814 1.00 0.00 H new ATOM 0 HA LEU B 21 -6.710 9.078 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -6.558 7.292 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.206 8.560 -0.038 1.00 0.00 H new ATOM 0 HG LEU B 21 -8.610 8.956 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -9.985 7.442 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -8.776 6.522 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -8.482 6.905 0.574 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -9.624 9.704 0.443 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.132 9.229 1.288 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.097 10.549 0.095 1.00 0.00 H new ATOM 1191 N GLU B 22 -4.953 11.272 -1.355 1.00 0.00 N ATOM 1192 CA GLU B 22 -4.895 12.731 -1.173 1.00 0.00 C ATOM 1193 C GLU B 22 -5.063 13.538 -2.470 1.00 0.00 C ATOM 1194 O GLU B 22 -5.527 14.680 -2.430 1.00 0.00 O ATOM 1195 CB GLU B 22 -3.600 13.155 -0.481 1.00 0.00 C ATOM 1196 CG GLU B 22 -3.750 13.239 1.045 1.00 0.00 C ATOM 1197 CD GLU B 22 -4.538 14.495 1.488 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -5.748 14.622 1.171 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -3.946 15.369 2.169 1.00 0.00 O ATOM 0 H GLU B 22 -4.091 10.774 -1.133 1.00 0.00 H new ATOM 0 HA GLU B 22 -5.752 12.963 -0.541 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -2.811 12.444 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.287 14.125 -0.866 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -4.259 12.346 1.408 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -2.762 13.251 1.505 1.00 0.00 H new ATOM 1206 N TYR B 23 -4.728 12.944 -3.616 1.00 0.00 N ATOM 1207 CA TYR B 23 -4.909 13.539 -4.942 1.00 0.00 C ATOM 1208 C TYR B 23 -6.141 12.995 -5.686 1.00 0.00 C ATOM 1209 O TYR B 23 -6.762 13.738 -6.448 1.00 0.00 O ATOM 1210 CB TYR B 23 -3.629 13.316 -5.760 1.00 0.00 C ATOM 1211 CG TYR B 23 -2.372 13.825 -5.074 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.202 15.207 -4.853 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -1.396 12.917 -4.616 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.064 15.681 -4.173 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -0.256 13.388 -3.937 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.087 14.771 -3.711 1.00 0.00 C ATOM 1217 OH TYR B 23 1.012 15.219 -3.042 1.00 0.00 O ATOM 0 H TYR B 23 -4.313 12.013 -3.649 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.093 14.605 -4.811 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.517 12.251 -5.961 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -3.733 13.813 -6.725 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -2.947 15.904 -5.206 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -1.523 11.858 -4.786 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -0.938 16.740 -4.005 1.00 0.00 H new ATOM 0 HE2 TYR B 23 0.491 12.690 -3.588 1.00 0.00 H new ATOM 0 HH TYR B 23 1.578 14.458 -2.797 1.00 0.00 H new ATOM 1227 N THR B 24 -6.535 11.734 -5.457 1.00 0.00 N ATOM 1228 CA THR B 24 -7.664 11.097 -6.171 1.00 0.00 C ATOM 1229 C THR B 24 -9.006 11.199 -5.441 1.00 0.00 C ATOM 1230 O THR B 24 -10.048 11.177 -6.097 1.00 0.00 O ATOM 1231 CB THR B 24 -7.384 9.614 -6.463 1.00 0.00 C ATOM 1232 OG1 THR B 24 -7.291 8.902 -5.256 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.084 9.384 -7.236 1.00 0.00 C ATOM 0 H THR B 24 -6.085 11.124 -4.775 1.00 0.00 H new ATOM 0 HA THR B 24 -7.747 11.662 -7.100 1.00 0.00 H new ATOM 0 HB THR B 24 -8.214 9.266 -7.078 1.00 0.00 H new ATOM 0 HG1 THR B 24 -6.681 8.144 -5.370 1.00 0.00 H new ATOM 0 HG21 THR B 24 -5.947 8.316 -7.409 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.133 9.903 -8.193 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.244 9.768 -6.658 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.005 11.326 -4.107 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.171 11.371 -3.201 1.00 0.00 C ATOM 1243 C HIS B 25 -11.363 10.462 -3.610 1.00 0.00 C ATOM 1244 O HIS B 25 -12.513 10.905 -3.642 1.00 0.00 O ATOM 1245 CB HIS B 25 -10.538 12.840 -2.880 1.00 0.00 C ATOM 1246 CG HIS B 25 -9.749 13.389 -1.710 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.071 13.224 -0.373 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -8.558 14.062 -1.764 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.088 13.772 0.369 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.154 14.286 -0.456 1.00 0.00 N ATOM 0 H HIS B 25 -8.129 11.406 -3.591 1.00 0.00 H new ATOM 0 HA HIS B 25 -9.870 10.904 -2.264 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -10.356 13.458 -3.759 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -11.603 12.906 -2.659 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.031 14.362 -2.658 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.054 13.795 1.448 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.297 14.759 -0.168 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.098 9.190 -3.951 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.084 8.262 -4.543 1.00 0.00 C ATOM 1261 C ASN B 26 -12.359 6.995 -3.693 1.00 0.00 C ATOM 1262 O ASN B 26 -11.444 6.490 -3.034 1.00 0.00 O ATOM 1263 CB ASN B 26 -11.610 7.892 -5.966 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.454 8.580 -7.030 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.375 8.004 -7.588 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -12.209 9.835 -7.318 1.00 0.00 N ATOM 0 H ASN B 26 -10.178 8.768 -3.822 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.043 8.778 -4.576 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -10.565 8.177 -6.088 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -11.664 6.812 -6.099 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -12.786 10.323 -8.003 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -11.442 10.324 -6.857 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.581 6.416 -3.760 1.00 0.00 N ATOM 1274 CA PRO B 27 -13.947 5.181 -3.053 1.00 0.00 C ATOM 1275 C PRO B 27 -13.311 3.916 -3.654 1.00 0.00 C ATOM 1276 O PRO B 27 -13.351 2.852 -3.043 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.478 5.106 -3.137 1.00 0.00 C ATOM 1278 CG PRO B 27 -15.784 5.793 -4.466 1.00 0.00 C ATOM 1279 CD PRO B 27 -14.737 6.904 -4.511 1.00 0.00 C ATOM 0 HA PRO B 27 -13.577 5.215 -2.028 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.833 4.075 -3.125 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -15.954 5.617 -2.300 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.686 5.109 -5.309 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -16.799 6.190 -4.494 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.461 7.136 -5.540 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.126 7.822 -4.071 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.715 4.007 -4.846 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.102 2.860 -5.543 1.00 0.00 C ATOM 1289 C VAL B 28 -10.917 2.274 -4.802 1.00 0.00 C ATOM 1290 O VAL B 28 -10.705 1.068 -4.829 1.00 0.00 O ATOM 1291 CB VAL B 28 -11.733 3.250 -6.983 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -10.379 3.953 -7.153 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -11.798 2.014 -7.872 1.00 0.00 C ATOM 0 H VAL B 28 -12.641 4.883 -5.363 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.849 2.067 -5.573 1.00 0.00 H new ATOM 0 HB VAL B 28 -12.470 3.996 -7.282 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -10.218 4.183 -8.206 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.373 4.877 -6.574 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -9.582 3.299 -6.799 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -11.537 2.287 -8.894 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -11.096 1.265 -7.506 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -12.808 1.605 -7.853 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.169 3.097 -4.076 1.00 0.00 N ATOM 1304 CA LEU B 29 -9.064 2.632 -3.250 1.00 0.00 C ATOM 1305 C LEU B 29 -9.550 1.789 -2.058 1.00 0.00 C ATOM 1306 O LEU B 29 -8.873 0.832 -1.685 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.209 3.826 -2.825 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.537 4.544 -4.014 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.309 5.793 -4.449 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.118 4.984 -3.669 1.00 0.00 C ATOM 0 H LEU B 29 -10.313 4.106 -4.044 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.438 1.961 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.833 4.538 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.440 3.486 -2.132 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.526 3.817 -4.826 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -7.797 6.263 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.317 5.511 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.363 6.495 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.674 5.486 -4.528 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.145 5.670 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.519 4.111 -3.410 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.777 2.025 -1.571 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.488 1.126 -0.650 1.00 0.00 C ATOM 1324 C ALA B 30 -11.943 -0.206 -1.307 1.00 0.00 C ATOM 1325 O ALA B 30 -12.671 -0.989 -0.693 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.650 1.884 0.009 1.00 0.00 C ATOM 0 H ALA B 30 -11.312 2.860 -1.810 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.783 0.818 0.122 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -13.178 1.218 0.692 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -12.260 2.738 0.563 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -13.338 2.235 -0.760 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.477 -0.482 -2.535 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.490 -1.775 -3.220 1.00 0.00 C ATOM 1334 C LYS B 31 -10.076 -2.194 -3.648 1.00 0.00 C ATOM 1335 O LYS B 31 -9.668 -3.310 -3.356 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.440 -1.765 -4.435 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.773 -1.029 -4.243 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.674 -1.239 -5.469 1.00 0.00 C ATOM 1339 CE LYS B 31 -15.930 -0.366 -5.364 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.886 -0.650 -6.468 1.00 0.00 N ATOM 0 H LYS B 31 -11.053 0.245 -3.111 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.864 -2.510 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -11.916 -1.312 -5.277 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.655 -2.797 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.274 -1.396 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -13.591 0.035 -4.094 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.126 -0.991 -6.378 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.958 -2.289 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.417 -0.542 -4.405 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -15.646 0.686 -5.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.724 -0.042 -6.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -16.428 -0.458 -7.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -17.175 -1.648 -6.428 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.295 -1.298 -4.263 1.00 0.00 N ATOM 1355 CA ILE B 32 -7.933 -1.593 -4.763 1.00 0.00 C ATOM 1356 C ILE B 32 -6.988 -1.937 -3.607 1.00 0.00 C ATOM 1357 O ILE B 32 -6.610 -3.098 -3.461 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.364 -0.449 -5.632 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.245 -0.129 -6.859 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -5.960 -0.832 -6.132 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.872 1.216 -7.491 1.00 0.00 C ATOM 0 H ILE B 32 -9.587 -0.336 -4.433 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.012 -2.466 -5.410 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.334 0.438 -5.000 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.138 -0.921 -7.600 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.293 -0.112 -6.560 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.559 -0.025 -6.745 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.303 -1.000 -5.279 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.022 -1.743 -6.727 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.515 1.405 -8.351 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.004 2.012 -6.758 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.831 1.190 -7.814 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.624 -0.961 -2.763 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.729 -1.211 -1.623 1.00 0.00 C ATOM 1375 C LEU B 33 -6.397 -2.105 -0.575 1.00 0.00 C ATOM 1376 O LEU B 33 -5.717 -2.872 0.101 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.105 0.097 -1.087 1.00 0.00 C ATOM 1378 CG LEU B 33 -5.847 0.848 0.036 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.566 0.299 1.440 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.424 2.318 0.074 1.00 0.00 C ATOM 0 H LEU B 33 -6.935 0.007 -2.848 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.871 -1.790 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.102 -0.135 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.992 0.781 -1.928 1.00 0.00 H new ATOM 0 HG LEU B 33 -6.903 0.718 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.123 0.879 2.176 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -5.875 -0.745 1.491 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.499 0.372 1.653 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -5.959 2.830 0.874 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.351 2.383 0.256 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.660 2.789 -0.880 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.732 -2.071 -0.501 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.512 -3.017 0.299 1.00 0.00 C ATOM 1394 C GLU B 34 -8.244 -4.481 -0.109 1.00 0.00 C ATOM 1395 O GLU B 34 -8.153 -5.351 0.759 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.002 -2.660 0.204 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.943 -3.523 1.061 1.00 0.00 C ATOM 1398 CD GLU B 34 -10.695 -3.412 2.580 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -10.352 -2.312 3.080 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -10.888 -4.425 3.296 1.00 0.00 O ATOM 0 H GLU B 34 -8.302 -1.385 -0.996 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.197 -2.934 1.339 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.128 -1.617 0.495 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.312 -2.740 -0.838 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -11.973 -3.236 0.851 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.835 -4.566 0.762 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.061 -4.769 -1.406 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.641 -6.083 -1.875 1.00 0.00 C ATOM 1409 C ASP B 35 -6.136 -6.339 -1.740 1.00 0.00 C ATOM 1410 O ASP B 35 -5.754 -7.427 -1.319 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.029 -6.308 -3.340 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.510 -6.225 -3.746 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.404 -6.505 -2.907 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.751 -5.952 -4.951 1.00 0.00 O ATOM 0 H ASP B 35 -8.202 -4.091 -2.155 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.165 -6.783 -1.225 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.483 -5.579 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.665 -7.294 -3.628 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.248 -5.382 -2.025 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.810 -5.604 -1.822 1.00 0.00 C ATOM 1421 C GLU B 36 -3.463 -5.951 -0.362 1.00 0.00 C ATOM 1422 O GLU B 36 -2.496 -6.670 -0.109 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.011 -4.370 -2.250 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.240 -3.871 -3.679 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.888 -4.846 -4.802 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.451 -6.005 -4.590 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.060 -4.496 -5.995 1.00 0.00 O ATOM 0 H GLU B 36 -5.491 -4.461 -2.391 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.539 -6.459 -2.441 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.245 -3.557 -1.563 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -1.950 -4.592 -2.132 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.290 -3.596 -3.781 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.657 -2.961 -3.821 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.281 -5.501 0.597 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.076 -5.761 2.031 1.00 0.00 C ATOM 1436 C GLU B 37 -4.290 -7.240 2.389 1.00 0.00 C ATOM 1437 O GLU B 37 -3.661 -7.761 3.315 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.019 -4.863 2.849 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.645 -4.822 4.337 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.488 -3.784 5.102 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.591 -4.132 5.590 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -5.041 -2.620 5.250 1.00 0.00 O ATOM 0 H GLU B 37 -5.111 -4.942 0.400 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.040 -5.526 2.274 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -4.995 -3.852 2.443 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.042 -5.225 2.744 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.792 -5.808 4.778 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.587 -4.581 4.441 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.143 -7.925 1.617 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.491 -9.343 1.797 1.00 0.00 C ATOM 1451 C LYS B 38 -4.808 -10.264 0.784 1.00 0.00 C ATOM 1452 O LYS B 38 -4.508 -11.395 1.142 1.00 0.00 O ATOM 1453 CB LYS B 38 -7.024 -9.488 1.889 1.00 0.00 C ATOM 1454 CG LYS B 38 -7.789 -9.397 0.565 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.250 -8.991 0.798 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.937 -8.792 -0.557 1.00 0.00 C ATOM 1457 NZ LYS B 38 -10.965 -7.722 -0.508 1.00 0.00 N ATOM 0 H LYS B 38 -5.625 -7.497 0.827 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.084 -9.694 2.746 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.251 -10.449 2.351 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -7.402 -8.715 2.558 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -7.306 -8.670 -0.088 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.753 -10.359 0.054 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.767 -9.760 1.372 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -9.296 -8.072 1.382 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.189 -8.542 -1.309 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -10.402 -9.727 -0.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.909 -8.142 -0.623 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -10.913 -7.232 0.408 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -10.794 -7.041 -1.275 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.427 -9.776 -0.403 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.634 -10.468 -1.419 1.00 0.00 C ATOM 1473 C HIS B 39 -2.315 -11.051 -0.891 1.00 0.00 C ATOM 1474 O HIS B 39 -1.978 -12.195 -1.200 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.336 -9.445 -2.522 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.410 -9.203 -3.542 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.221 -8.468 -4.717 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.699 -9.639 -3.481 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.417 -8.478 -5.335 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.314 -9.189 -4.625 1.00 0.00 N ATOM 0 H HIS B 39 -4.680 -8.832 -0.694 1.00 0.00 H new ATOM 0 HA HIS B 39 -4.208 -11.322 -1.778 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -3.102 -8.493 -2.045 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.437 -9.767 -3.048 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.362 -8.021 -5.037 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.148 -10.222 -2.691 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.628 -7.984 -6.272 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.283 -9.364 -4.891 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.578 -10.281 -0.084 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.289 -10.708 0.488 1.00 0.00 C ATOM 1490 C ILE B 40 -0.465 -11.907 1.425 1.00 0.00 C ATOM 1491 O ILE B 40 0.266 -12.891 1.308 1.00 0.00 O ATOM 1492 CB ILE B 40 0.391 -9.512 1.204 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.795 -8.450 0.156 1.00 0.00 C ATOM 1494 CG2 ILE B 40 1.624 -9.921 2.032 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.479 -7.213 0.752 1.00 0.00 C ATOM 0 H ILE B 40 -1.856 -9.340 0.194 1.00 0.00 H new ATOM 0 HA ILE B 40 0.362 -11.037 -0.322 1.00 0.00 H new ATOM 0 HB ILE B 40 -0.336 -9.104 1.906 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.466 -8.908 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -0.095 -8.134 -0.387 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.053 -9.038 2.507 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.327 -10.637 2.798 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.367 -10.378 1.378 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.731 -6.516 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE B 40 0.804 -6.728 1.457 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.389 -7.515 1.271 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.444 -11.865 2.330 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.730 -13.013 3.197 1.00 0.00 C ATOM 1509 C GLU B 41 -2.411 -14.159 2.438 1.00 0.00 C ATOM 1510 O GLU B 41 -2.149 -15.319 2.736 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.516 -12.588 4.451 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.725 -12.949 5.716 1.00 0.00 C ATOM 1513 CD GLU B 41 -2.447 -12.490 6.997 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -2.337 -11.295 7.366 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -3.116 -13.321 7.661 1.00 0.00 O ATOM 0 H GLU B 41 -2.048 -11.057 2.482 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.773 -13.406 3.539 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -2.705 -11.515 4.425 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -3.487 -13.083 4.466 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -1.572 -14.028 5.753 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.738 -12.488 5.671 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.209 -13.867 1.409 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.804 -14.861 0.511 1.00 0.00 C ATOM 1524 C TRP B 42 -2.763 -15.776 -0.146 1.00 0.00 C ATOM 1525 O TRP B 42 -2.908 -16.998 -0.052 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.717 -14.132 -0.496 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.107 -13.833 -0.028 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.621 -14.103 1.195 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.185 -13.203 -0.785 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.943 -13.700 1.239 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.349 -13.150 0.038 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.294 -12.667 -2.087 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.565 -12.618 -0.419 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.499 -12.109 -2.551 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.639 -12.100 -1.725 1.00 0.00 C ATOM 0 H TRP B 42 -3.466 -12.909 1.171 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.416 -15.550 1.093 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.239 -13.193 -0.775 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.782 -14.737 -1.400 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -6.082 -14.562 2.010 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.544 -13.797 2.057 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.434 -12.686 -2.740 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.433 -12.606 0.224 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.550 -11.686 -3.544 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.570 -11.696 -2.094 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.682 -15.245 -0.737 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.651 -16.116 -1.333 1.00 0.00 C ATOM 1548 C LEU B 43 0.227 -16.841 -0.287 1.00 0.00 C ATOM 1549 O LEU B 43 0.729 -17.935 -0.549 1.00 0.00 O ATOM 1550 CB LEU B 43 0.140 -15.371 -2.417 1.00 0.00 C ATOM 1551 CG LEU B 43 1.141 -14.349 -1.872 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.561 -14.909 -1.871 1.00 0.00 C ATOM 1553 CD2 LEU B 43 1.118 -13.085 -2.724 1.00 0.00 C ATOM 0 H LEU B 43 -1.499 -14.245 -0.816 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.168 -16.933 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.676 -16.100 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.561 -14.860 -3.076 1.00 0.00 H new ATOM 0 HG LEU B 43 0.848 -14.119 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.248 -14.159 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.600 -15.800 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.851 -15.168 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.834 -12.365 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.385 -13.334 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.118 -12.651 -2.704 1.00 0.00 H new ATOM 1565 N GLU B 44 0.389 -16.270 0.913 1.00 0.00 N ATOM 1566 CA GLU B 44 1.323 -16.765 1.940 1.00 0.00 C ATOM 1567 C GLU B 44 0.675 -17.721 2.962 1.00 0.00 C ATOM 1568 O GLU B 44 1.363 -18.591 3.492 1.00 0.00 O ATOM 1569 CB GLU B 44 1.995 -15.555 2.614 1.00 0.00 C ATOM 1570 CG GLU B 44 3.344 -15.857 3.293 1.00 0.00 C ATOM 1571 CD GLU B 44 3.252 -16.511 4.691 1.00 0.00 C ATOM 1572 OE1 GLU B 44 2.394 -16.106 5.513 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.103 -17.379 5.007 1.00 0.00 O ATOM 0 H GLU B 44 -0.129 -15.441 1.205 1.00 0.00 H new ATOM 0 HA GLU B 44 2.077 -17.378 1.447 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.148 -14.779 1.864 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.313 -15.148 3.360 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.921 -16.513 2.641 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.903 -14.925 3.383 1.00 0.00 H new ATOM 1580 N THR B 45 -0.645 -17.650 3.187 1.00 0.00 N ATOM 1581 CA THR B 45 -1.392 -18.562 4.088 1.00 0.00 C ATOM 1582 C THR B 45 -1.312 -20.038 3.651 1.00 0.00 C ATOM 1583 O THR B 45 -1.499 -20.942 4.468 1.00 0.00 O ATOM 1584 CB THR B 45 -2.862 -18.097 4.221 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.894 -16.825 4.830 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.758 -18.968 5.104 1.00 0.00 C ATOM 0 H THR B 45 -1.240 -16.949 2.745 1.00 0.00 H new ATOM 0 HA THR B 45 -0.913 -18.510 5.066 1.00 0.00 H new ATOM 0 HB THR B 45 -3.240 -18.132 3.199 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.858 -16.131 4.139 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.764 -18.550 5.126 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.794 -19.980 4.700 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.355 -18.996 6.116 1.00 0.00 H new ATOM 1594 N ILE B 46 -0.993 -20.294 2.374 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.082 -21.614 1.723 1.00 0.00 C ATOM 1596 C ILE B 46 0.275 -22.119 1.212 1.00 0.00 C ATOM 1597 O ILE B 46 0.523 -23.325 1.192 1.00 0.00 O ATOM 1598 CB ILE B 46 -2.061 -21.528 0.527 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -3.346 -20.721 0.796 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -2.427 -22.926 0.005 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -4.276 -21.278 1.883 1.00 0.00 C ATOM 0 H ILE B 46 -0.655 -19.567 1.744 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.435 -22.319 2.476 1.00 0.00 H new ATOM 0 HB ILE B 46 -1.510 -20.975 -0.234 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -3.062 -19.706 1.074 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -3.909 -20.651 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -3.116 -22.832 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -1.523 -23.440 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.902 -23.499 0.801 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -5.146 -20.629 1.985 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.602 -22.280 1.605 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -3.742 -21.320 2.832 1.00 0.00 H new ATOM 1613 N LEU B 47 1.144 -21.202 0.763 1.00 0.00 N ATOM 1614 CA LEU B 47 2.369 -21.474 -0.004 1.00 0.00 C ATOM 1615 C LEU B 47 2.176 -22.440 -1.204 1.00 0.00 C ATOM 1616 O LEU B 47 3.100 -23.155 -1.600 1.00 0.00 O ATOM 1617 CB LEU B 47 3.529 -21.899 0.926 1.00 0.00 C ATOM 1618 CG LEU B 47 3.819 -20.948 2.108 1.00 0.00 C ATOM 1619 CD1 LEU B 47 3.152 -21.421 3.404 1.00 0.00 C ATOM 1620 CD2 LEU B 47 5.324 -20.876 2.375 1.00 0.00 C ATOM 0 H LEU B 47 1.006 -20.206 0.932 1.00 0.00 H new ATOM 0 HA LEU B 47 2.644 -20.527 -0.469 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.307 -22.889 1.325 1.00 0.00 H new ATOM 0 HB3 LEU B 47 4.435 -21.993 0.327 1.00 0.00 H new ATOM 0 HG LEU B 47 3.419 -19.974 1.825 1.00 0.00 H new ATOM 0 HD11 LEU B 47 3.383 -20.722 4.208 1.00 0.00 H new ATOM 0 HD12 LEU B 47 2.072 -21.467 3.262 1.00 0.00 H new ATOM 0 HD13 LEU B 47 3.526 -22.411 3.665 1.00 0.00 H new ATOM 0 HD21 LEU B 47 5.513 -20.202 3.211 1.00 0.00 H new ATOM 0 HD22 LEU B 47 5.698 -21.870 2.619 1.00 0.00 H new ATOM 0 HD23 LEU B 47 5.834 -20.504 1.486 1.00 0.00 H new ATOM 1632 N GLY B 48 0.965 -22.495 -1.773 1.00 0.00 N ATOM 1633 CA GLY B 48 0.592 -23.428 -2.846 1.00 0.00 C ATOM 1634 C GLY B 48 0.520 -24.911 -2.439 1.00 0.00 C ATOM 1635 O GLY B 48 0.499 -25.789 -3.301 1.00 0.00 O ATOM 0 H GLY B 48 0.201 -21.880 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -0.379 -23.130 -3.241 1.00 0.00 H new ATOM 0 HA3 GLY B 48 1.312 -23.327 -3.658 1.00 0.00 H new HETATM 1639 N NH2 B 49 0.498 -25.236 -1.152 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.312 -4.540 -7.700 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -1.802 -7.386 -5.403 1.00 0.00 ZN