USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD 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 X(o=0,f=-0.073) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0967 USER MOD Single : A 25 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.063) USER MOD Single : A 26 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.67) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= 1.31 (180deg=1.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : +bothHN:sc= 0.656 K(o=0.66,f=-6.5!) USER MOD Single : A 45 THR OG1 : rot 72:sc= 0.128 USER MOD Single : B 1 ASP N :NH3+ -172:sc= -0.0294 (180deg=-0.121) 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=-0.043) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : B 17 TYR OH : rot -167:sc= 0.322 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -150:sc= -0.0166 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 ASN : amide:sc= 0.828 K(o=0.83,f=-0.16) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 HIS : +bothHN:sc= 0.296 K(o=0.3,f=-5.3!) USER MOD Single : B 45 THR OG1 : rot 75:sc= 0.106 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 2 3.570 8.695 -10.790 1.00 0.00 N ATOM 20 CA TYR A 2 2.949 7.630 -9.986 1.00 0.00 C ATOM 21 C TYR A 2 2.058 6.704 -10.809 1.00 0.00 C ATOM 22 O TYR A 2 2.060 5.501 -10.590 1.00 0.00 O ATOM 23 CB TYR A 2 2.069 8.207 -8.863 1.00 0.00 C ATOM 24 CG TYR A 2 2.498 9.529 -8.267 1.00 0.00 C ATOM 25 CD1 TYR A 2 3.707 9.630 -7.557 1.00 0.00 C ATOM 26 CD2 TYR A 2 1.673 10.659 -8.427 1.00 0.00 C ATOM 27 CE1 TYR A 2 4.091 10.867 -7.007 1.00 0.00 C ATOM 28 CE2 TYR A 2 2.051 11.895 -7.874 1.00 0.00 C ATOM 29 CZ TYR A 2 3.265 12.003 -7.159 1.00 0.00 C ATOM 30 OH TYR A 2 3.646 13.192 -6.615 1.00 0.00 O ATOM 0 HA TYR A 2 3.789 7.067 -9.579 1.00 0.00 H new ATOM 0 HB2 TYR A 2 1.057 8.322 -9.251 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.020 7.473 -8.059 1.00 0.00 H new ATOM 0 HD1 TYR A 2 4.338 8.762 -7.434 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.747 10.576 -8.976 1.00 0.00 H new ATOM 0 HE1 TYR A 2 5.022 10.948 -6.466 1.00 0.00 H new ATOM 0 HE2 TYR A 2 1.415 12.760 -7.995 1.00 0.00 H new ATOM 0 HH TYR A 2 2.969 13.873 -6.810 1.00 0.00 H new ATOM 40 N LEU A 3 1.294 7.264 -11.749 1.00 0.00 N ATOM 41 CA LEU A 3 0.325 6.524 -12.560 1.00 0.00 C ATOM 42 C LEU A 3 1.026 5.473 -13.426 1.00 0.00 C ATOM 43 O LEU A 3 0.625 4.313 -13.420 1.00 0.00 O ATOM 44 CB LEU A 3 -0.500 7.497 -13.420 1.00 0.00 C ATOM 45 CG LEU A 3 -1.363 8.469 -12.595 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.043 9.472 -13.524 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.455 7.756 -11.788 1.00 0.00 C ATOM 0 H LEU A 3 1.332 8.259 -11.971 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.357 5.996 -11.893 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.176 8.072 -14.053 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.147 6.923 -14.083 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.689 8.965 -11.897 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.653 10.158 -12.936 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.285 10.036 -14.068 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.677 8.939 -14.233 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.031 8.491 -11.227 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.117 7.218 -12.467 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.994 7.051 -11.096 1.00 0.00 H new ATOM 59 N ARG A 4 2.118 5.847 -14.105 1.00 0.00 N ATOM 60 CA ARG A 4 2.962 4.913 -14.868 1.00 0.00 C ATOM 61 C ARG A 4 3.606 3.856 -13.970 1.00 0.00 C ATOM 62 O ARG A 4 3.623 2.683 -14.338 1.00 0.00 O ATOM 63 CB ARG A 4 4.006 5.708 -15.669 1.00 0.00 C ATOM 64 CG ARG A 4 4.939 4.800 -16.490 1.00 0.00 C ATOM 65 CD ARG A 4 5.742 5.586 -17.532 1.00 0.00 C ATOM 66 NE ARG A 4 6.550 6.665 -16.929 1.00 0.00 N ATOM 67 CZ ARG A 4 7.260 7.569 -17.577 1.00 0.00 C ATOM 68 NH1 ARG A 4 7.383 7.560 -18.876 1.00 0.00 N ATOM 69 NH2 ARG A 4 7.858 8.513 -16.915 1.00 0.00 N ATOM 0 H ARG A 4 2.445 6.813 -14.142 1.00 0.00 H new ATOM 0 HA ARG A 4 2.332 4.363 -15.567 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.495 6.399 -16.340 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.602 6.311 -14.984 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.625 4.285 -15.818 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.348 4.033 -16.992 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.399 4.903 -18.071 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.058 6.015 -18.265 1.00 0.00 H new ATOM 0 HE ARG A 4 6.560 6.717 -15.910 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.921 6.836 -19.427 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.941 8.277 -19.340 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.778 8.553 -15.899 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.408 9.214 -17.411 1.00 0.00 H new ATOM 83 N GLU A 5 4.083 4.247 -12.786 1.00 0.00 N ATOM 84 CA GLU A 5 4.617 3.297 -11.795 1.00 0.00 C ATOM 85 C GLU A 5 3.551 2.269 -11.351 1.00 0.00 C ATOM 86 O GLU A 5 3.805 1.063 -11.340 1.00 0.00 O ATOM 87 CB GLU A 5 5.185 4.094 -10.609 1.00 0.00 C ATOM 88 CG GLU A 5 5.887 3.248 -9.545 1.00 0.00 C ATOM 89 CD GLU A 5 7.249 2.708 -10.025 1.00 0.00 C ATOM 90 OE1 GLU A 5 7.296 1.617 -10.643 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.287 3.369 -9.781 1.00 0.00 O ATOM 0 H GLU A 5 4.112 5.221 -12.485 1.00 0.00 H new ATOM 0 HA GLU A 5 5.418 2.712 -12.248 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.891 4.832 -10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.372 4.645 -10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.034 3.848 -8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.245 2.412 -9.268 1.00 0.00 H new ATOM 98 N LEU A 6 2.334 2.740 -11.061 1.00 0.00 N ATOM 99 CA LEU A 6 1.142 1.956 -10.725 1.00 0.00 C ATOM 100 C LEU A 6 0.762 0.975 -11.843 1.00 0.00 C ATOM 101 O LEU A 6 0.793 -0.237 -11.638 1.00 0.00 O ATOM 102 CB LEU A 6 -0.006 2.948 -10.414 1.00 0.00 C ATOM 103 CG LEU A 6 -0.307 3.112 -8.918 1.00 0.00 C ATOM 104 CD1 LEU A 6 0.904 3.469 -8.047 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.346 4.219 -8.716 1.00 0.00 C ATOM 0 H LEU A 6 2.144 3.742 -11.054 1.00 0.00 H new ATOM 0 HA LEU A 6 1.345 1.337 -9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.248 3.923 -10.831 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.910 2.610 -10.920 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.662 2.132 -8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.590 3.563 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.655 2.684 -8.129 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.329 4.414 -8.384 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.556 4.331 -7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.958 5.158 -9.110 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.264 3.956 -9.241 1.00 0.00 H new ATOM 117 N LEU A 7 0.454 1.497 -13.032 1.00 0.00 N ATOM 118 CA LEU A 7 0.112 0.724 -14.233 1.00 0.00 C ATOM 119 C LEU A 7 1.140 -0.377 -14.547 1.00 0.00 C ATOM 120 O LEU A 7 0.761 -1.542 -14.682 1.00 0.00 O ATOM 121 CB LEU A 7 -0.061 1.672 -15.443 1.00 0.00 C ATOM 122 CG LEU A 7 -1.515 2.147 -15.683 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.665 3.668 -15.623 1.00 0.00 C ATOM 124 CD2 LEU A 7 -1.999 1.707 -17.066 1.00 0.00 C ATOM 0 H LEU A 7 0.434 2.504 -13.193 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.832 0.217 -14.031 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.574 2.546 -15.298 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.295 1.165 -16.340 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.105 1.697 -14.885 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.706 3.938 -15.799 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.359 4.025 -14.640 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.037 4.126 -16.387 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.023 2.049 -17.219 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.354 2.139 -17.831 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.965 0.620 -17.134 1.00 0.00 H new ATOM 136 N LYS A 8 2.436 -0.039 -14.640 1.00 0.00 N ATOM 137 CA LYS A 8 3.496 -1.010 -14.966 1.00 0.00 C ATOM 138 C LYS A 8 3.717 -2.035 -13.849 1.00 0.00 C ATOM 139 O LYS A 8 3.859 -3.226 -14.130 1.00 0.00 O ATOM 140 CB LYS A 8 4.790 -0.262 -15.333 1.00 0.00 C ATOM 141 CG LYS A 8 5.906 -1.231 -15.767 1.00 0.00 C ATOM 142 CD LYS A 8 7.109 -0.531 -16.415 1.00 0.00 C ATOM 143 CE LYS A 8 6.775 -0.023 -17.825 1.00 0.00 C ATOM 144 NZ LYS A 8 7.974 0.532 -18.507 1.00 0.00 N ATOM 0 H LYS A 8 2.779 0.910 -14.492 1.00 0.00 H new ATOM 0 HA LYS A 8 3.173 -1.588 -15.831 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.586 0.443 -16.139 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.128 0.322 -14.477 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.248 -1.792 -14.897 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.494 -1.954 -16.471 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.423 0.306 -15.791 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.949 -1.223 -16.467 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.364 -0.840 -18.418 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.004 0.745 -17.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.710 0.865 -19.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.351 1.327 -17.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.700 -0.208 -18.589 1.00 0.00 H new ATOM 158 N GLY A 9 3.694 -1.605 -12.589 1.00 0.00 N ATOM 159 CA GLY A 9 3.926 -2.473 -11.439 1.00 0.00 C ATOM 160 C GLY A 9 2.803 -3.463 -11.165 1.00 0.00 C ATOM 161 O GLY A 9 3.052 -4.630 -10.864 1.00 0.00 O ATOM 0 H GLY A 9 3.512 -0.634 -12.336 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.852 -3.026 -11.597 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.072 -1.853 -10.554 1.00 0.00 H new ATOM 165 N GLU A 10 1.560 -3.029 -11.351 1.00 0.00 N ATOM 166 CA GLU A 10 0.406 -3.930 -11.363 1.00 0.00 C ATOM 167 C GLU A 10 0.503 -4.936 -12.529 1.00 0.00 C ATOM 168 O GLU A 10 0.181 -6.109 -12.334 1.00 0.00 O ATOM 169 CB GLU A 10 -0.897 -3.114 -11.427 1.00 0.00 C ATOM 170 CG GLU A 10 -1.216 -2.268 -10.174 1.00 0.00 C ATOM 171 CD GLU A 10 -1.978 -3.037 -9.092 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.682 -4.144 -8.617 1.00 0.00 O ATOM 173 OE2 GLU A 10 -3.080 -2.736 -8.594 1.00 0.00 O ATOM 0 H GLU A 10 1.322 -2.048 -11.497 1.00 0.00 H new ATOM 0 HA GLU A 10 0.401 -4.508 -10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.846 -2.449 -12.289 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.726 -3.800 -11.601 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.284 -1.893 -9.752 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.803 -1.400 -10.472 1.00 0.00 H new ATOM 180 N LEU A 11 1.027 -4.551 -13.711 1.00 0.00 N ATOM 181 CA LEU A 11 1.199 -5.484 -14.835 1.00 0.00 C ATOM 182 C LEU A 11 2.241 -6.573 -14.517 1.00 0.00 C ATOM 183 O LEU A 11 2.043 -7.750 -14.829 1.00 0.00 O ATOM 184 CB LEU A 11 1.480 -4.632 -16.101 1.00 0.00 C ATOM 185 CG LEU A 11 2.548 -5.158 -17.070 1.00 0.00 C ATOM 186 CD1 LEU A 11 2.069 -6.353 -17.897 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.979 -4.064 -18.048 1.00 0.00 C ATOM 0 H LEU A 11 1.337 -3.600 -13.908 1.00 0.00 H new ATOM 0 HA LEU A 11 0.296 -6.065 -15.024 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.546 -4.525 -16.652 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.776 -3.634 -15.779 1.00 0.00 H new ATOM 0 HG LEU A 11 3.380 -5.475 -16.442 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.868 -6.679 -18.562 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.796 -7.171 -17.230 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.201 -6.062 -18.488 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.736 -4.459 -18.725 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.116 -3.730 -18.624 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.392 -3.222 -17.493 1.00 0.00 H new ATOM 199 N GLN A 12 3.311 -6.193 -13.825 1.00 0.00 N ATOM 200 CA GLN A 12 4.405 -7.067 -13.399 1.00 0.00 C ATOM 201 C GLN A 12 3.925 -8.176 -12.443 1.00 0.00 C ATOM 202 O GLN A 12 4.495 -9.270 -12.424 1.00 0.00 O ATOM 203 CB GLN A 12 5.519 -6.202 -12.781 1.00 0.00 C ATOM 204 CG GLN A 12 6.832 -6.971 -12.563 1.00 0.00 C ATOM 205 CD GLN A 12 7.972 -6.069 -12.083 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.800 -5.153 -11.288 1.00 0.00 O ATOM 207 NE2 GLN A 12 9.187 -6.285 -12.544 1.00 0.00 N ATOM 0 H GLN A 12 3.447 -5.226 -13.532 1.00 0.00 H new ATOM 0 HA GLN A 12 4.804 -7.589 -14.268 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.709 -5.348 -13.431 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.175 -5.806 -11.826 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.668 -7.762 -11.832 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.124 -7.454 -13.495 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.354 -7.042 -13.207 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.961 -5.695 -12.238 1.00 0.00 H new ATOM 216 N GLY A 13 2.838 -7.928 -11.702 1.00 0.00 N ATOM 217 CA GLY A 13 2.157 -8.934 -10.888 1.00 0.00 C ATOM 218 C GLY A 13 1.212 -9.803 -11.717 1.00 0.00 C ATOM 219 O GLY A 13 1.278 -11.031 -11.625 1.00 0.00 O ATOM 0 H GLY A 13 2.403 -7.007 -11.653 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.898 -9.568 -10.401 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.593 -8.439 -10.098 1.00 0.00 H new ATOM 223 N ILE A 14 0.389 -9.197 -12.587 1.00 0.00 N ATOM 224 CA ILE A 14 -0.615 -9.939 -13.386 1.00 0.00 C ATOM 225 C ILE A 14 0.052 -11.030 -14.230 1.00 0.00 C ATOM 226 O ILE A 14 -0.392 -12.183 -14.244 1.00 0.00 O ATOM 227 CB ILE A 14 -1.432 -8.976 -14.278 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.325 -8.071 -13.407 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.315 -9.720 -15.300 1.00 0.00 C ATOM 230 CD1 ILE A 14 -2.857 -6.854 -14.168 1.00 0.00 C ATOM 0 H ILE A 14 0.395 -8.192 -12.760 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.303 -10.423 -12.693 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.710 -8.376 -14.833 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.165 -8.653 -13.029 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.756 -7.732 -12.541 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.866 -8.996 -15.900 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.686 -10.326 -15.951 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.018 -10.365 -14.772 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.479 -6.253 -13.504 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.020 -6.253 -14.523 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.451 -7.188 -15.019 1.00 0.00 H new ATOM 242 N LYS A 15 1.151 -10.677 -14.906 1.00 0.00 N ATOM 243 CA LYS A 15 1.837 -11.563 -15.849 1.00 0.00 C ATOM 244 C LYS A 15 2.625 -12.698 -15.169 1.00 0.00 C ATOM 245 O LYS A 15 2.941 -13.693 -15.816 1.00 0.00 O ATOM 246 CB LYS A 15 2.667 -10.691 -16.821 1.00 0.00 C ATOM 247 CG LYS A 15 2.584 -11.125 -18.296 1.00 0.00 C ATOM 248 CD LYS A 15 3.708 -12.083 -18.707 1.00 0.00 C ATOM 249 CE LYS A 15 3.528 -12.653 -20.123 1.00 0.00 C ATOM 250 NZ LYS A 15 3.592 -11.610 -21.184 1.00 0.00 N ATOM 0 H LYS A 15 1.591 -9.762 -14.812 1.00 0.00 H new ATOM 0 HA LYS A 15 1.098 -12.113 -16.432 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.330 -9.657 -16.740 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.711 -10.712 -16.507 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.622 -11.606 -18.473 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.619 -10.240 -18.931 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.662 -11.559 -18.652 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.754 -12.906 -17.994 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.300 -13.400 -20.309 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.568 -13.165 -20.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.464 -12.054 -22.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.839 -10.910 -21.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.517 -11.137 -21.150 1.00 0.00 H new ATOM 264 N GLN A 16 2.871 -12.606 -13.859 1.00 0.00 N ATOM 265 CA GLN A 16 3.454 -13.674 -13.045 1.00 0.00 C ATOM 266 C GLN A 16 2.400 -14.588 -12.415 1.00 0.00 C ATOM 267 O GLN A 16 2.577 -15.807 -12.401 1.00 0.00 O ATOM 268 CB GLN A 16 4.337 -13.029 -11.965 1.00 0.00 C ATOM 269 CG GLN A 16 5.777 -12.776 -12.441 1.00 0.00 C ATOM 270 CD GLN A 16 6.673 -14.004 -12.261 1.00 0.00 C ATOM 271 OE1 GLN A 16 7.318 -14.189 -11.237 1.00 0.00 O ATOM 272 NE2 GLN A 16 6.757 -14.896 -13.227 1.00 0.00 N ATOM 0 H GLN A 16 2.664 -11.764 -13.322 1.00 0.00 H new ATOM 0 HA GLN A 16 4.050 -14.316 -13.694 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.891 -12.084 -11.655 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.358 -13.675 -11.087 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.765 -12.489 -13.493 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.198 -11.937 -11.887 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.229 -14.764 -14.090 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.350 -15.718 -13.112 1.00 0.00 H new ATOM 281 N TYR A 17 1.273 -14.040 -11.962 1.00 0.00 N ATOM 282 CA TYR A 17 0.187 -14.832 -11.391 1.00 0.00 C ATOM 283 C TYR A 17 -0.396 -15.844 -12.378 1.00 0.00 C ATOM 284 O TYR A 17 -0.681 -16.981 -11.991 1.00 0.00 O ATOM 285 CB TYR A 17 -0.933 -13.910 -10.910 1.00 0.00 C ATOM 286 CG TYR A 17 -0.662 -13.134 -9.632 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.187 -13.799 -8.483 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.945 -11.755 -9.569 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.004 -13.095 -7.280 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.755 -11.046 -8.367 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.297 -11.719 -7.215 1.00 0.00 C ATOM 292 OH TYR A 17 -0.223 -11.068 -6.024 1.00 0.00 O ATOM 0 H TYR A 17 1.088 -13.037 -11.981 1.00 0.00 H new ATOM 0 HA TYR A 17 0.614 -15.390 -10.558 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.154 -13.196 -11.704 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.831 -14.510 -10.762 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.037 -14.855 -8.527 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.309 -11.240 -10.446 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.362 -13.610 -6.404 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.960 -9.986 -8.327 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.454 -10.124 -6.152 1.00 0.00 H new ATOM 302 N ARG A 18 -0.543 -15.465 -13.657 1.00 0.00 N ATOM 303 CA ARG A 18 -1.106 -16.344 -14.679 1.00 0.00 C ATOM 304 C ARG A 18 -0.221 -17.561 -14.990 1.00 0.00 C ATOM 305 O ARG A 18 -0.721 -18.587 -15.447 1.00 0.00 O ATOM 306 CB ARG A 18 -1.442 -15.499 -15.916 1.00 0.00 C ATOM 307 CG ARG A 18 -0.224 -15.003 -16.718 1.00 0.00 C ATOM 308 CD ARG A 18 -0.631 -14.096 -17.888 1.00 0.00 C ATOM 309 NE ARG A 18 -1.387 -14.825 -18.927 1.00 0.00 N ATOM 310 CZ ARG A 18 -2.007 -14.300 -19.971 1.00 0.00 C ATOM 311 NH1 ARG A 18 -2.014 -13.018 -20.206 1.00 0.00 N ATOM 312 NH2 ARG A 18 -2.640 -15.065 -20.815 1.00 0.00 N ATOM 0 H ARG A 18 -0.275 -14.544 -14.005 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.025 -16.789 -14.297 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.078 -16.088 -16.577 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.025 -14.635 -15.599 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.448 -14.458 -16.055 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.331 -15.860 -17.100 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.237 -13.272 -17.512 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.262 -13.657 -18.333 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.436 -15.839 -18.829 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.530 -12.381 -19.574 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.504 -12.652 -21.022 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.659 -16.075 -20.673 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.116 -14.654 -21.618 1.00 0.00 H new ATOM 326 N GLU A 19 1.080 -17.461 -14.707 1.00 0.00 N ATOM 327 CA GLU A 19 2.051 -18.559 -14.808 1.00 0.00 C ATOM 328 C GLU A 19 2.029 -19.481 -13.575 1.00 0.00 C ATOM 329 O GLU A 19 2.240 -20.689 -13.679 1.00 0.00 O ATOM 330 CB GLU A 19 3.448 -17.927 -14.935 1.00 0.00 C ATOM 331 CG GLU A 19 4.475 -18.869 -15.581 1.00 0.00 C ATOM 332 CD GLU A 19 5.886 -18.244 -15.655 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.023 -17.036 -15.965 1.00 0.00 O ATOM 334 OE2 GLU A 19 6.882 -18.976 -15.427 1.00 0.00 O ATOM 0 H GLU A 19 1.502 -16.588 -14.391 1.00 0.00 H new ATOM 0 HA GLU A 19 1.795 -19.173 -15.672 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.376 -17.015 -15.528 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.801 -17.637 -13.945 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.521 -19.797 -15.011 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.143 -19.129 -16.586 1.00 0.00 H new ATOM 341 N ALA A 20 1.774 -18.914 -12.393 1.00 0.00 N ATOM 342 CA ALA A 20 1.939 -19.590 -11.104 1.00 0.00 C ATOM 343 C ALA A 20 0.814 -20.587 -10.768 1.00 0.00 C ATOM 344 O ALA A 20 1.071 -21.601 -10.117 1.00 0.00 O ATOM 345 CB ALA A 20 2.091 -18.515 -10.022 1.00 0.00 C ATOM 0 H ALA A 20 1.441 -17.954 -12.304 1.00 0.00 H new ATOM 0 HA ALA A 20 2.834 -20.210 -11.157 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.216 -18.992 -9.050 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.965 -17.901 -10.239 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.201 -17.886 -10.006 1.00 0.00 H new ATOM 351 N LEU A 21 -0.412 -20.364 -11.257 1.00 0.00 N ATOM 352 CA LEU A 21 -1.510 -21.335 -11.131 1.00 0.00 C ATOM 353 C LEU A 21 -1.183 -22.674 -11.795 1.00 0.00 C ATOM 354 O LEU A 21 -1.617 -23.712 -11.306 1.00 0.00 O ATOM 355 CB LEU A 21 -2.800 -20.730 -11.708 1.00 0.00 C ATOM 356 CG LEU A 21 -4.047 -21.633 -11.627 1.00 0.00 C ATOM 357 CD1 LEU A 21 -4.507 -21.821 -10.187 1.00 0.00 C ATOM 358 CD2 LEU A 21 -5.210 -21.017 -12.395 1.00 0.00 C ATOM 0 H LEU A 21 -0.672 -19.509 -11.750 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.653 -21.546 -10.071 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.012 -19.799 -11.182 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.625 -20.473 -12.753 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.763 -22.593 -12.058 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.388 -22.463 -10.167 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.708 -22.283 -9.607 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.755 -20.852 -9.755 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.079 -21.671 -12.325 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.452 -20.043 -11.969 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.931 -20.896 -13.442 1.00 0.00 H new ATOM 370 N GLU A 22 -0.388 -22.695 -12.864 1.00 0.00 N ATOM 371 CA GLU A 22 -0.061 -23.964 -13.534 1.00 0.00 C ATOM 372 C GLU A 22 0.768 -24.924 -12.660 1.00 0.00 C ATOM 373 O GLU A 22 0.700 -26.143 -12.832 1.00 0.00 O ATOM 374 CB GLU A 22 0.706 -23.681 -14.829 1.00 0.00 C ATOM 375 CG GLU A 22 -0.238 -23.544 -16.029 1.00 0.00 C ATOM 376 CD GLU A 22 0.546 -23.337 -17.339 1.00 0.00 C ATOM 377 OE1 GLU A 22 1.085 -24.328 -17.892 1.00 0.00 O ATOM 378 OE2 GLU A 22 0.614 -22.189 -17.841 1.00 0.00 O ATOM 0 H GLU A 22 0.037 -21.868 -13.282 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.011 -24.457 -13.740 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.286 -22.765 -14.716 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.416 -24.487 -15.015 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.857 -24.437 -16.111 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.912 -22.702 -15.870 1.00 0.00 H new ATOM 385 N TYR A 23 1.526 -24.381 -11.706 1.00 0.00 N ATOM 386 CA TYR A 23 2.374 -25.138 -10.776 1.00 0.00 C ATOM 387 C TYR A 23 1.657 -25.556 -9.476 1.00 0.00 C ATOM 388 O TYR A 23 2.243 -26.276 -8.664 1.00 0.00 O ATOM 389 CB TYR A 23 3.641 -24.314 -10.487 1.00 0.00 C ATOM 390 CG TYR A 23 4.643 -24.346 -11.628 1.00 0.00 C ATOM 391 CD1 TYR A 23 4.515 -23.462 -12.721 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.685 -25.294 -11.612 1.00 0.00 C ATOM 393 CE1 TYR A 23 5.422 -23.533 -13.797 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.597 -25.363 -12.683 1.00 0.00 C ATOM 395 CZ TYR A 23 6.466 -24.486 -13.781 1.00 0.00 C ATOM 396 OH TYR A 23 7.344 -24.572 -14.819 1.00 0.00 O ATOM 0 H TYR A 23 1.570 -23.374 -11.552 1.00 0.00 H new ATOM 0 HA TYR A 23 2.638 -26.080 -11.256 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.358 -23.280 -10.288 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.116 -24.694 -9.583 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.721 -22.730 -12.733 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.785 -25.970 -10.776 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.320 -22.859 -14.635 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.397 -26.088 -12.664 1.00 0.00 H new ATOM 0 HH TYR A 23 7.996 -25.281 -14.638 1.00 0.00 H new ATOM 406 N THR A 24 0.402 -25.134 -9.262 1.00 0.00 N ATOM 407 CA THR A 24 -0.299 -25.293 -7.966 1.00 0.00 C ATOM 408 C THR A 24 -1.781 -25.678 -8.082 1.00 0.00 C ATOM 409 O THR A 24 -2.335 -26.300 -7.174 1.00 0.00 O ATOM 410 CB THR A 24 -0.218 -23.984 -7.155 1.00 0.00 C ATOM 411 OG1 THR A 24 -1.071 -23.007 -7.713 1.00 0.00 O ATOM 412 CG2 THR A 24 1.172 -23.346 -7.059 1.00 0.00 C ATOM 0 H THR A 24 -0.160 -24.673 -9.977 1.00 0.00 H new ATOM 0 HA THR A 24 0.214 -26.117 -7.471 1.00 0.00 H new ATOM 0 HB THR A 24 -0.511 -24.288 -6.150 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.011 -22.182 -7.188 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.113 -22.432 -6.467 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.860 -24.044 -6.582 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.533 -23.108 -8.060 1.00 0.00 H new ATOM 420 N HIS A 25 -2.427 -25.296 -9.189 1.00 0.00 N ATOM 421 CA HIS A 25 -3.876 -25.246 -9.442 1.00 0.00 C ATOM 422 C HIS A 25 -4.747 -24.707 -8.278 1.00 0.00 C ATOM 423 O HIS A 25 -5.937 -25.017 -8.194 1.00 0.00 O ATOM 424 CB HIS A 25 -4.360 -26.568 -10.051 1.00 0.00 C ATOM 425 CG HIS A 25 -3.720 -26.765 -11.399 1.00 0.00 C ATOM 426 ND1 HIS A 25 -2.615 -27.548 -11.650 1.00 0.00 N ATOM 427 CD2 HIS A 25 -3.964 -26.014 -12.521 1.00 0.00 C ATOM 428 CE1 HIS A 25 -2.194 -27.267 -12.895 1.00 0.00 C ATOM 429 NE2 HIS A 25 -3.023 -26.372 -13.462 1.00 0.00 N ATOM 0 H HIS A 25 -1.903 -24.985 -10.007 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.028 -24.467 -10.189 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -4.107 -27.398 -9.392 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.445 -26.559 -10.150 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.747 -25.280 -12.644 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.323 -27.695 -13.368 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -2.965 -26.021 -14.418 1.00 0.00 H new ATOM 438 N ASN A 26 -4.172 -23.912 -7.367 1.00 0.00 N ATOM 439 CA ASN A 26 -4.861 -23.370 -6.189 1.00 0.00 C ATOM 440 C ASN A 26 -5.900 -22.287 -6.559 1.00 0.00 C ATOM 441 O ASN A 26 -5.594 -21.390 -7.348 1.00 0.00 O ATOM 442 CB ASN A 26 -3.799 -22.853 -5.197 1.00 0.00 C ATOM 443 CG ASN A 26 -3.214 -23.958 -4.328 1.00 0.00 C ATOM 444 OD1 ASN A 26 -3.891 -24.876 -3.889 1.00 0.00 O ATOM 445 ND2 ASN A 26 -1.940 -23.890 -4.026 1.00 0.00 N ATOM 0 H ASN A 26 -3.196 -23.622 -7.429 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.439 -24.163 -5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.995 -22.370 -5.752 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.246 -22.092 -4.557 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.519 -24.601 -3.428 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.370 -23.126 -4.389 1.00 0.00 H new ATOM 452 N PRO A 27 -7.107 -22.292 -5.955 1.00 0.00 N ATOM 453 CA PRO A 27 -8.209 -21.392 -6.330 1.00 0.00 C ATOM 454 C PRO A 27 -7.967 -19.917 -5.967 1.00 0.00 C ATOM 455 O PRO A 27 -8.757 -19.046 -6.333 1.00 0.00 O ATOM 456 CB PRO A 27 -9.440 -21.949 -5.601 1.00 0.00 C ATOM 457 CG PRO A 27 -8.845 -22.596 -4.353 1.00 0.00 C ATOM 458 CD PRO A 27 -7.530 -23.173 -4.872 1.00 0.00 C ATOM 0 HA PRO A 27 -8.326 -21.375 -7.414 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.148 -21.160 -5.347 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.976 -22.674 -6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.683 -21.869 -3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.496 -23.371 -3.948 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.780 -23.208 -4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.665 -24.194 -5.229 1.00 0.00 H new ATOM 466 N VAL A 28 -6.887 -19.618 -5.239 1.00 0.00 N ATOM 467 CA VAL A 28 -6.597 -18.277 -4.716 1.00 0.00 C ATOM 468 C VAL A 28 -6.034 -17.337 -5.770 1.00 0.00 C ATOM 469 O VAL A 28 -6.391 -16.163 -5.810 1.00 0.00 O ATOM 470 CB VAL A 28 -5.683 -18.414 -3.488 1.00 0.00 C ATOM 471 CG1 VAL A 28 -4.186 -18.571 -3.790 1.00 0.00 C ATOM 472 CG2 VAL A 28 -5.917 -17.240 -2.550 1.00 0.00 C ATOM 0 H VAL A 28 -6.179 -20.309 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.533 -17.809 -4.411 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.964 -19.356 -3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.633 -18.659 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.028 -19.467 -4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.832 -17.699 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.269 -17.336 -1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.691 -16.309 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.959 -17.233 -2.229 1.00 0.00 H new ATOM 482 N LEU A 29 -5.227 -17.852 -6.695 1.00 0.00 N ATOM 483 CA LEU A 29 -4.697 -17.084 -7.822 1.00 0.00 C ATOM 484 C LEU A 29 -5.824 -16.601 -8.756 1.00 0.00 C ATOM 485 O LEU A 29 -5.799 -15.460 -9.220 1.00 0.00 O ATOM 486 CB LEU A 29 -3.664 -17.957 -8.546 1.00 0.00 C ATOM 487 CG LEU A 29 -2.447 -18.319 -7.666 1.00 0.00 C ATOM 488 CD1 LEU A 29 -2.354 -19.823 -7.424 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.156 -17.856 -8.334 1.00 0.00 C ATOM 0 H LEU A 29 -4.919 -18.824 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.209 -16.177 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.146 -18.875 -8.883 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.317 -17.434 -9.437 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.582 -17.814 -6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.486 -20.038 -6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.257 -20.167 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.253 -20.340 -8.379 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.306 -18.117 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.052 -18.344 -9.303 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.186 -16.775 -8.473 1.00 0.00 H new ATOM 501 N ALA A 30 -6.873 -17.421 -8.909 1.00 0.00 N ATOM 502 CA ALA A 30 -8.144 -17.092 -9.564 1.00 0.00 C ATOM 503 C ALA A 30 -9.022 -16.065 -8.798 1.00 0.00 C ATOM 504 O ALA A 30 -10.146 -15.784 -9.218 1.00 0.00 O ATOM 505 CB ALA A 30 -8.897 -18.406 -9.820 1.00 0.00 C ATOM 0 H ALA A 30 -6.856 -18.380 -8.561 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.915 -16.585 -10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.848 -18.191 -10.307 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.297 -19.050 -10.463 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.081 -18.911 -8.872 1.00 0.00 H new ATOM 511 N LYS A 31 -8.512 -15.480 -7.705 1.00 0.00 N ATOM 512 CA LYS A 31 -9.085 -14.360 -6.948 1.00 0.00 C ATOM 513 C LYS A 31 -8.115 -13.186 -6.838 1.00 0.00 C ATOM 514 O LYS A 31 -8.520 -12.039 -7.014 1.00 0.00 O ATOM 515 CB LYS A 31 -9.530 -14.846 -5.548 1.00 0.00 C ATOM 516 CG LYS A 31 -10.939 -14.365 -5.178 1.00 0.00 C ATOM 517 CD LYS A 31 -12.013 -15.179 -5.919 1.00 0.00 C ATOM 518 CE LYS A 31 -13.432 -14.651 -5.677 1.00 0.00 C ATOM 519 NZ LYS A 31 -13.660 -13.349 -6.354 1.00 0.00 N ATOM 0 H LYS A 31 -7.631 -15.798 -7.301 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.956 -13.996 -7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.503 -15.935 -5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.820 -14.490 -4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.087 -14.456 -4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.043 -13.309 -5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.802 -15.162 -6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.958 -16.220 -5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.157 -15.380 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.600 -14.538 -4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.682 -13.164 -6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.203 -12.590 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.255 -13.380 -7.312 1.00 0.00 H new ATOM 533 N ILE A 32 -6.828 -13.474 -6.640 1.00 0.00 N ATOM 534 CA ILE A 32 -5.771 -12.459 -6.564 1.00 0.00 C ATOM 535 C ILE A 32 -5.643 -11.719 -7.895 1.00 0.00 C ATOM 536 O ILE A 32 -5.916 -10.522 -7.956 1.00 0.00 O ATOM 537 CB ILE A 32 -4.423 -13.067 -6.121 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.459 -13.714 -4.718 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.364 -11.957 -6.098 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.338 -14.749 -4.538 1.00 0.00 C ATOM 0 H ILE A 32 -6.484 -14.428 -6.526 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.056 -11.736 -5.800 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.190 -13.855 -6.838 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.363 -12.939 -3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.425 -14.194 -4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.406 -12.374 -5.786 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.265 -11.527 -7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.667 -11.180 -5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.398 -15.181 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.449 -15.538 -5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.371 -14.263 -4.666 1.00 0.00 H new ATOM 552 N LEU A 33 -5.280 -12.416 -8.979 1.00 0.00 N ATOM 553 CA LEU A 33 -5.105 -11.761 -10.277 1.00 0.00 C ATOM 554 C LEU A 33 -6.457 -11.387 -10.901 1.00 0.00 C ATOM 555 O LEU A 33 -6.517 -10.472 -11.714 1.00 0.00 O ATOM 556 CB LEU A 33 -4.172 -12.595 -11.179 1.00 0.00 C ATOM 557 CG LEU A 33 -4.863 -13.533 -12.185 1.00 0.00 C ATOM 558 CD1 LEU A 33 -4.929 -12.924 -13.587 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.153 -14.881 -12.314 1.00 0.00 C ATOM 0 H LEU A 33 -5.104 -13.421 -8.982 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.598 -10.806 -10.143 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.529 -11.911 -11.733 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.523 -13.195 -10.540 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.866 -13.678 -11.785 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.424 -13.621 -14.263 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.491 -11.991 -13.552 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.919 -12.726 -13.946 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.682 -15.503 -13.036 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.129 -14.722 -12.653 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.141 -15.380 -11.345 1.00 0.00 H new ATOM 571 N GLU A 34 -7.549 -12.041 -10.477 1.00 0.00 N ATOM 572 CA GLU A 34 -8.907 -11.623 -10.831 1.00 0.00 C ATOM 573 C GLU A 34 -9.184 -10.183 -10.367 1.00 0.00 C ATOM 574 O GLU A 34 -9.769 -9.400 -11.116 1.00 0.00 O ATOM 575 CB GLU A 34 -9.943 -12.612 -10.274 1.00 0.00 C ATOM 576 CG GLU A 34 -11.375 -12.295 -10.726 1.00 0.00 C ATOM 577 CD GLU A 34 -12.392 -13.312 -10.168 1.00 0.00 C ATOM 578 OE1 GLU A 34 -12.755 -13.211 -8.969 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.878 -14.177 -10.937 1.00 0.00 O ATOM 0 H GLU A 34 -7.513 -12.869 -9.883 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.995 -11.632 -11.917 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.682 -13.621 -10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.900 -12.600 -9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.646 -11.292 -10.396 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.421 -12.296 -11.815 1.00 0.00 H new ATOM 586 N ASP A 35 -8.710 -9.790 -9.179 1.00 0.00 N ATOM 587 CA ASP A 35 -8.749 -8.393 -8.748 1.00 0.00 C ATOM 588 C ASP A 35 -7.750 -7.498 -9.479 1.00 0.00 C ATOM 589 O ASP A 35 -8.145 -6.445 -9.984 1.00 0.00 O ATOM 590 CB ASP A 35 -8.465 -8.305 -7.254 1.00 0.00 C ATOM 591 CG ASP A 35 -9.484 -8.979 -6.325 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.679 -9.116 -6.688 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.062 -9.321 -5.194 1.00 0.00 O ATOM 0 H ASP A 35 -8.294 -10.425 -8.498 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.750 -8.033 -8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.486 -8.747 -7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.397 -7.252 -6.980 1.00 0.00 H new ATOM 598 N GLU A 36 -6.482 -7.905 -9.599 1.00 0.00 N ATOM 599 CA GLU A 36 -5.483 -7.128 -10.346 1.00 0.00 C ATOM 600 C GLU A 36 -5.914 -6.829 -11.799 1.00 0.00 C ATOM 601 O GLU A 36 -5.488 -5.826 -12.373 1.00 0.00 O ATOM 602 CB GLU A 36 -4.125 -7.847 -10.336 1.00 0.00 C ATOM 603 CG GLU A 36 -3.522 -8.249 -8.973 1.00 0.00 C ATOM 604 CD GLU A 36 -3.079 -7.100 -8.064 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.541 -5.945 -8.218 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.275 -7.300 -7.110 1.00 0.00 O ATOM 0 H GLU A 36 -6.122 -8.767 -9.189 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.393 -6.168 -9.837 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.223 -8.751 -10.936 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.405 -7.205 -10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.258 -8.846 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.661 -8.893 -9.156 1.00 0.00 H new ATOM 613 N GLU A 37 -6.812 -7.636 -12.375 1.00 0.00 N ATOM 614 CA GLU A 37 -7.348 -7.437 -13.730 1.00 0.00 C ATOM 615 C GLU A 37 -8.256 -6.196 -13.812 1.00 0.00 C ATOM 616 O GLU A 37 -8.254 -5.484 -14.819 1.00 0.00 O ATOM 617 CB GLU A 37 -8.119 -8.696 -14.158 1.00 0.00 C ATOM 618 CG GLU A 37 -8.471 -8.760 -15.649 1.00 0.00 C ATOM 619 CD GLU A 37 -7.237 -9.009 -16.538 1.00 0.00 C ATOM 620 OE1 GLU A 37 -6.582 -8.031 -16.972 1.00 0.00 O ATOM 621 OE2 GLU A 37 -6.929 -10.190 -16.835 1.00 0.00 O ATOM 0 H GLU A 37 -7.194 -8.458 -11.908 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.512 -7.266 -14.408 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.525 -9.573 -13.902 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.041 -8.755 -13.579 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.199 -9.555 -15.813 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.947 -7.826 -15.947 1.00 0.00 H new ATOM 628 N LYS A 38 -8.996 -5.898 -12.731 1.00 0.00 N ATOM 629 CA LYS A 38 -9.725 -4.631 -12.578 1.00 0.00 C ATOM 630 C LYS A 38 -8.800 -3.498 -12.180 1.00 0.00 C ATOM 631 O LYS A 38 -8.960 -2.410 -12.711 1.00 0.00 O ATOM 632 CB LYS A 38 -10.841 -4.700 -11.524 1.00 0.00 C ATOM 633 CG LYS A 38 -12.100 -5.458 -11.960 1.00 0.00 C ATOM 634 CD LYS A 38 -12.050 -6.956 -11.654 1.00 0.00 C ATOM 635 CE LYS A 38 -12.143 -7.232 -10.144 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.537 -7.526 -9.716 1.00 0.00 N ATOM 0 H LYS A 38 -9.105 -6.531 -11.938 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.166 -4.446 -13.558 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.443 -5.173 -10.626 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.124 -3.684 -11.250 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.967 -5.023 -11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.245 -5.319 -13.031 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.869 -7.460 -12.167 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.123 -7.376 -12.044 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.500 -8.075 -9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.769 -6.368 -9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.555 -7.706 -8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.146 -6.712 -9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.886 -8.366 -10.221 1.00 0.00 H new ATOM 650 N HIS A 39 -7.855 -3.717 -11.263 1.00 0.00 N ATOM 651 CA HIS A 39 -7.077 -2.675 -10.603 1.00 0.00 C ATOM 652 C HIS A 39 -6.435 -1.656 -11.554 1.00 0.00 C ATOM 653 O HIS A 39 -6.525 -0.453 -11.310 1.00 0.00 O ATOM 654 CB HIS A 39 -6.006 -3.373 -9.782 1.00 0.00 C ATOM 655 CG HIS A 39 -6.415 -3.920 -8.448 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.504 -4.141 -7.408 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.675 -4.258 -8.040 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.257 -4.603 -6.389 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.552 -4.684 -6.742 1.00 0.00 N ATOM 0 H HIS A 39 -7.605 -4.656 -10.952 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.758 -2.086 -9.989 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.607 -4.195 -10.376 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.190 -2.669 -9.623 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.496 -3.987 -7.419 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.583 -4.201 -8.622 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.871 -4.873 -5.417 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.314 -5.007 -6.146 1.00 0.00 H new ATOM 667 N ILE A 40 -5.828 -2.126 -12.648 1.00 0.00 N ATOM 668 CA ILE A 40 -5.219 -1.240 -13.662 1.00 0.00 C ATOM 669 C ILE A 40 -6.262 -0.328 -14.330 1.00 0.00 C ATOM 670 O ILE A 40 -6.011 0.862 -14.518 1.00 0.00 O ATOM 671 CB ILE A 40 -4.418 -2.052 -14.709 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.244 -2.761 -13.999 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.887 -1.145 -15.835 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.290 -3.528 -14.922 1.00 0.00 C ATOM 0 H ILE A 40 -5.742 -3.120 -12.861 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.517 -0.589 -13.142 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.080 -2.789 -15.165 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.670 -2.016 -13.448 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.651 -3.456 -13.265 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.329 -1.746 -16.553 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.724 -0.662 -16.338 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.231 -0.385 -15.411 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.501 -3.989 -14.328 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.843 -4.302 -15.455 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.847 -2.839 -15.641 1.00 0.00 H new ATOM 686 N GLU A 41 -7.448 -0.851 -14.646 1.00 0.00 N ATOM 687 CA GLU A 41 -8.565 -0.039 -15.144 1.00 0.00 C ATOM 688 C GLU A 41 -9.110 0.882 -14.042 1.00 0.00 C ATOM 689 O GLU A 41 -9.304 2.073 -14.265 1.00 0.00 O ATOM 690 CB GLU A 41 -9.689 -0.934 -15.697 1.00 0.00 C ATOM 691 CG GLU A 41 -9.246 -1.919 -16.791 1.00 0.00 C ATOM 692 CD GLU A 41 -8.664 -1.214 -18.033 1.00 0.00 C ATOM 693 OE1 GLU A 41 -9.396 -0.438 -18.695 1.00 0.00 O ATOM 694 OE2 GLU A 41 -7.483 -1.457 -18.378 1.00 0.00 O ATOM 0 H GLU A 41 -7.663 -1.845 -14.565 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.188 0.583 -15.956 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.124 -1.499 -14.873 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.478 -0.297 -16.098 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.498 -2.598 -16.381 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.099 -2.528 -17.091 1.00 0.00 H new ATOM 701 N TRP A 42 -9.288 0.351 -12.832 1.00 0.00 N ATOM 702 CA TRP A 42 -9.799 1.032 -11.638 1.00 0.00 C ATOM 703 C TRP A 42 -9.021 2.306 -11.250 1.00 0.00 C ATOM 704 O TRP A 42 -9.659 3.299 -10.898 1.00 0.00 O ATOM 705 CB TRP A 42 -9.892 -0.028 -10.516 1.00 0.00 C ATOM 706 CG TRP A 42 -11.161 -0.825 -10.436 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.192 -0.796 -11.313 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.544 -1.801 -9.415 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.196 -1.639 -10.884 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.847 -2.297 -9.726 1.00 0.00 C ATOM 711 CE3 TRP A 42 -10.908 -2.343 -8.276 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.491 -3.269 -8.944 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.538 -3.330 -7.494 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.826 -3.790 -7.820 1.00 0.00 C ATOM 0 H TRP A 42 -9.066 -0.627 -12.646 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.790 1.437 -11.842 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.062 -0.724 -10.638 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.748 0.476 -9.561 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.224 -0.202 -12.214 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.087 -1.760 -11.365 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.923 -1.995 -8.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.482 -3.611 -9.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.026 -3.738 -6.635 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.303 -4.542 -7.209 1.00 0.00 H new ATOM 725 N LEU A 43 -7.688 2.353 -11.383 1.00 0.00 N ATOM 726 CA LEU A 43 -6.900 3.587 -11.171 1.00 0.00 C ATOM 727 C LEU A 43 -6.889 4.567 -12.362 1.00 0.00 C ATOM 728 O LEU A 43 -6.542 5.734 -12.183 1.00 0.00 O ATOM 729 CB LEU A 43 -5.508 3.247 -10.619 1.00 0.00 C ATOM 730 CG LEU A 43 -4.587 2.550 -11.627 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.660 3.530 -12.349 1.00 0.00 C ATOM 732 CD2 LEU A 43 -3.724 1.518 -10.909 1.00 0.00 C ATOM 0 H LEU A 43 -7.123 1.543 -11.639 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.423 4.164 -10.408 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.029 4.166 -10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.622 2.606 -9.745 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.232 2.078 -12.368 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.029 2.984 -13.051 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.257 4.263 -12.892 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.032 4.042 -11.619 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.071 1.025 -11.629 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.118 2.014 -10.151 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.365 0.776 -10.433 1.00 0.00 H new ATOM 744 N GLU A 44 -7.323 4.154 -13.557 1.00 0.00 N ATOM 745 CA GLU A 44 -7.520 5.019 -14.721 1.00 0.00 C ATOM 746 C GLU A 44 -8.954 5.572 -14.805 1.00 0.00 C ATOM 747 O GLU A 44 -9.152 6.707 -15.236 1.00 0.00 O ATOM 748 CB GLU A 44 -7.203 4.192 -15.975 1.00 0.00 C ATOM 749 CG GLU A 44 -5.873 4.614 -16.613 1.00 0.00 C ATOM 750 CD GLU A 44 -5.693 4.019 -18.024 1.00 0.00 C ATOM 751 OE1 GLU A 44 -5.694 2.775 -18.181 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.541 4.801 -18.997 1.00 0.00 O ATOM 0 H GLU A 44 -7.554 3.178 -13.745 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.859 5.881 -14.636 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.161 3.135 -15.713 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.008 4.309 -16.701 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.828 5.702 -16.670 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.048 4.293 -15.977 1.00 0.00 H new ATOM 759 N THR A 45 -9.952 4.818 -14.338 1.00 0.00 N ATOM 760 CA THR A 45 -11.344 5.252 -14.168 1.00 0.00 C ATOM 761 C THR A 45 -11.453 6.565 -13.384 1.00 0.00 C ATOM 762 O THR A 45 -12.254 7.431 -13.737 1.00 0.00 O ATOM 763 CB THR A 45 -12.176 4.139 -13.514 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.295 3.059 -14.418 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.598 4.557 -13.139 1.00 0.00 C ATOM 0 H THR A 45 -9.808 3.848 -14.056 1.00 0.00 H new ATOM 0 HA THR A 45 -11.749 5.450 -15.160 1.00 0.00 H new ATOM 0 HB THR A 45 -11.648 3.877 -12.597 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.432 2.600 -14.495 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.117 3.714 -12.683 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.559 5.385 -12.431 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.133 4.871 -14.035 1.00 0.00 H new ATOM 773 N ILE A 46 -10.588 6.752 -12.377 1.00 0.00 N ATOM 774 CA ILE A 46 -10.460 7.994 -11.585 1.00 0.00 C ATOM 775 C ILE A 46 -10.246 9.231 -12.474 1.00 0.00 C ATOM 776 O ILE A 46 -10.808 10.299 -12.230 1.00 0.00 O ATOM 777 CB ILE A 46 -9.304 7.894 -10.553 1.00 0.00 C ATOM 778 CG1 ILE A 46 -9.258 6.512 -9.862 1.00 0.00 C ATOM 779 CG2 ILE A 46 -9.424 9.031 -9.521 1.00 0.00 C ATOM 780 CD1 ILE A 46 -8.258 6.381 -8.709 1.00 0.00 C ATOM 0 H ILE A 46 -9.937 6.025 -12.079 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.404 8.113 -11.053 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.362 8.003 -11.091 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.254 6.282 -9.483 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.020 5.758 -10.613 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.610 8.955 -8.800 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.368 9.993 -10.031 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.378 8.951 -9.001 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.308 5.373 -8.297 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.250 6.572 -9.078 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.503 7.104 -7.931 1.00 0.00 H new ATOM 792 N LEU A 47 -9.440 9.067 -13.525 1.00 0.00 N ATOM 793 CA LEU A 47 -9.050 10.113 -14.469 1.00 0.00 C ATOM 794 C LEU A 47 -10.160 10.466 -15.483 1.00 0.00 C ATOM 795 O LEU A 47 -10.101 11.517 -16.126 1.00 0.00 O ATOM 796 CB LEU A 47 -7.772 9.685 -15.223 1.00 0.00 C ATOM 797 CG LEU A 47 -6.635 9.111 -14.354 1.00 0.00 C ATOM 798 CD1 LEU A 47 -5.476 8.676 -15.247 1.00 0.00 C ATOM 799 CD2 LEU A 47 -6.112 10.120 -13.329 1.00 0.00 C ATOM 0 H LEU A 47 -9.024 8.163 -13.750 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.864 11.012 -13.882 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.046 8.938 -15.967 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.387 10.549 -15.765 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.048 8.262 -13.809 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.674 8.271 -14.630 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.820 7.911 -15.943 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.105 9.535 -15.806 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.313 9.664 -12.744 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.727 10.998 -13.847 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.923 10.418 -12.665 1.00 0.00 H new ATOM 811 N GLY A 48 -11.151 9.581 -15.645 1.00 0.00 N ATOM 812 CA GLY A 48 -12.258 9.688 -16.603 1.00 0.00 C ATOM 813 C GLY A 48 -12.624 8.357 -17.281 1.00 0.00 C ATOM 814 O GLY A 48 -13.694 8.234 -17.878 1.00 0.00 O ATOM 0 H GLY A 48 -11.205 8.730 -15.085 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.136 10.076 -16.087 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.993 10.415 -17.371 1.00 0.00 H new ATOM 828 N ASP B 1 11.206 -19.871 -5.837 1.00 0.00 N ATOM 829 CA ASP B 1 11.820 -18.533 -5.735 1.00 0.00 C ATOM 830 C ASP B 1 10.861 -17.381 -6.084 1.00 0.00 C ATOM 831 O ASP B 1 10.958 -16.279 -5.539 1.00 0.00 O ATOM 832 CB ASP B 1 13.045 -18.495 -6.658 1.00 0.00 C ATOM 833 CG ASP B 1 13.880 -17.216 -6.472 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.500 -17.049 -5.395 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.947 -16.392 -7.417 1.00 0.00 O ATOM 0 H1 ASP B 1 11.863 -20.584 -5.460 1.00 0.00 H new ATOM 0 H2 ASP B 1 10.322 -19.890 -5.289 1.00 0.00 H new ATOM 0 H3 ASP B 1 11.000 -20.083 -6.834 1.00 0.00 H new ATOM 0 HA ASP B 1 12.100 -18.378 -4.693 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.671 -19.366 -6.463 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.717 -18.564 -7.695 1.00 0.00 H new ATOM 840 N TYR B 2 9.892 -17.670 -6.954 1.00 0.00 N ATOM 841 CA TYR B 2 8.813 -16.769 -7.368 1.00 0.00 C ATOM 842 C TYR B 2 8.071 -16.134 -6.194 1.00 0.00 C ATOM 843 O TYR B 2 7.709 -14.970 -6.258 1.00 0.00 O ATOM 844 CB TYR B 2 7.775 -17.534 -8.207 1.00 0.00 C ATOM 845 CG TYR B 2 8.335 -18.571 -9.158 1.00 0.00 C ATOM 846 CD1 TYR B 2 9.168 -18.177 -10.221 1.00 0.00 C ATOM 847 CD2 TYR B 2 8.052 -19.935 -8.947 1.00 0.00 C ATOM 848 CE1 TYR B 2 9.724 -19.150 -11.072 1.00 0.00 C ATOM 849 CE2 TYR B 2 8.601 -20.909 -9.799 1.00 0.00 C ATOM 850 CZ TYR B 2 9.441 -20.520 -10.867 1.00 0.00 C ATOM 851 OH TYR B 2 9.978 -21.467 -11.685 1.00 0.00 O ATOM 0 H TYR B 2 9.835 -18.580 -7.411 1.00 0.00 H new ATOM 0 HA TYR B 2 9.295 -15.978 -7.943 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.079 -18.028 -7.529 1.00 0.00 H new ATOM 0 HB3 TYR B 2 7.198 -16.812 -8.785 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.380 -17.131 -10.383 1.00 0.00 H new ATOM 0 HD2 TYR B 2 7.412 -20.233 -8.129 1.00 0.00 H new ATOM 0 HE1 TYR B 2 10.369 -18.849 -11.884 1.00 0.00 H new ATOM 0 HE2 TYR B 2 8.381 -21.954 -9.638 1.00 0.00 H new ATOM 0 HH TYR B 2 9.679 -22.355 -11.398 1.00 0.00 H new ATOM 861 N LEU B 3 7.826 -16.885 -5.122 1.00 0.00 N ATOM 862 CA LEU B 3 6.956 -16.480 -4.012 1.00 0.00 C ATOM 863 C LEU B 3 7.554 -15.301 -3.230 1.00 0.00 C ATOM 864 O LEU B 3 6.831 -14.373 -2.871 1.00 0.00 O ATOM 865 CB LEU B 3 6.716 -17.706 -3.110 1.00 0.00 C ATOM 866 CG LEU B 3 6.042 -18.876 -3.855 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.146 -20.168 -3.047 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.563 -18.601 -4.138 1.00 0.00 C ATOM 0 H LEU B 3 8.233 -17.811 -4.995 1.00 0.00 H new ATOM 0 HA LEU B 3 6.001 -16.129 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.669 -18.043 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.093 -17.413 -2.265 1.00 0.00 H new ATOM 0 HG LEU B 3 6.570 -18.982 -4.803 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.663 -20.979 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.196 -20.413 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.653 -20.036 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.129 -19.451 -4.664 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.035 -18.448 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.471 -17.707 -4.755 1.00 0.00 H new ATOM 880 N ARG B 4 8.883 -15.267 -3.057 1.00 0.00 N ATOM 881 CA ARG B 4 9.601 -14.087 -2.540 1.00 0.00 C ATOM 882 C ARG B 4 9.393 -12.867 -3.446 1.00 0.00 C ATOM 883 O ARG B 4 9.115 -11.773 -2.961 1.00 0.00 O ATOM 884 CB ARG B 4 11.095 -14.427 -2.387 1.00 0.00 C ATOM 885 CG ARG B 4 11.890 -13.296 -1.713 1.00 0.00 C ATOM 886 CD ARG B 4 13.384 -13.632 -1.659 1.00 0.00 C ATOM 887 NE ARG B 4 14.152 -12.535 -1.033 1.00 0.00 N ATOM 888 CZ ARG B 4 15.407 -12.198 -1.273 1.00 0.00 C ATOM 889 NH1 ARG B 4 16.151 -12.840 -2.130 1.00 0.00 N ATOM 890 NH2 ARG B 4 15.947 -11.190 -0.648 1.00 0.00 N ATOM 0 H ARG B 4 9.493 -16.056 -3.271 1.00 0.00 H new ATOM 0 HA ARG B 4 9.197 -13.825 -1.562 1.00 0.00 H new ATOM 0 HB2 ARG B 4 11.198 -15.339 -1.800 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.521 -14.630 -3.370 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.742 -12.366 -2.262 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.513 -13.134 -0.703 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.533 -14.553 -1.095 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.756 -13.812 -2.667 1.00 0.00 H new ATOM 0 HE ARG B 4 13.658 -11.975 -0.338 1.00 0.00 H new ATOM 0 HH11 ARG B 4 15.768 -13.634 -2.644 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.116 -12.548 -2.287 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.401 -10.658 0.029 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.916 -10.933 -0.836 1.00 0.00 H new ATOM 904 N GLU B 5 9.491 -13.064 -4.760 1.00 0.00 N ATOM 905 CA GLU B 5 9.336 -12.000 -5.762 1.00 0.00 C ATOM 906 C GLU B 5 7.877 -11.497 -5.875 1.00 0.00 C ATOM 907 O GLU B 5 7.632 -10.306 -6.064 1.00 0.00 O ATOM 908 CB GLU B 5 9.852 -12.544 -7.106 1.00 0.00 C ATOM 909 CG GLU B 5 10.148 -11.468 -8.151 1.00 0.00 C ATOM 910 CD GLU B 5 11.428 -10.673 -7.823 1.00 0.00 C ATOM 911 OE1 GLU B 5 12.531 -11.080 -8.264 1.00 0.00 O ATOM 912 OE2 GLU B 5 11.345 -9.631 -7.130 1.00 0.00 O ATOM 0 H GLU B 5 9.683 -13.979 -5.168 1.00 0.00 H new ATOM 0 HA GLU B 5 9.917 -11.130 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.761 -13.119 -6.927 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.113 -13.234 -7.512 1.00 0.00 H new ATOM 0 HG2 GLU B 5 10.253 -11.935 -9.130 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.303 -10.783 -8.214 1.00 0.00 H new ATOM 919 N LEU B 6 6.908 -12.400 -5.705 1.00 0.00 N ATOM 920 CA LEU B 6 5.462 -12.164 -5.703 1.00 0.00 C ATOM 921 C LEU B 6 5.035 -11.276 -4.522 1.00 0.00 C ATOM 922 O LEU B 6 4.293 -10.310 -4.706 1.00 0.00 O ATOM 923 CB LEU B 6 4.753 -13.536 -5.624 1.00 0.00 C ATOM 924 CG LEU B 6 4.656 -14.408 -6.900 1.00 0.00 C ATOM 925 CD1 LEU B 6 3.196 -14.741 -7.213 1.00 0.00 C ATOM 926 CD2 LEU B 6 5.260 -13.833 -8.185 1.00 0.00 C ATOM 0 H LEU B 6 7.129 -13.384 -5.555 1.00 0.00 H new ATOM 0 HA LEU B 6 5.182 -11.638 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.262 -14.125 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.738 -13.361 -5.267 1.00 0.00 H new ATOM 0 HG LEU B 6 5.257 -15.278 -6.635 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.148 -15.354 -8.113 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.760 -15.288 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.638 -13.818 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.124 -14.543 -9.000 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.762 -12.896 -8.433 1.00 0.00 H new ATOM 0 HD23 LEU B 6 6.324 -13.650 -8.037 1.00 0.00 H new ATOM 938 N LEU B 7 5.522 -11.587 -3.314 1.00 0.00 N ATOM 939 CA LEU B 7 5.265 -10.807 -2.097 1.00 0.00 C ATOM 940 C LEU B 7 5.862 -9.381 -2.158 1.00 0.00 C ATOM 941 O LEU B 7 5.245 -8.425 -1.681 1.00 0.00 O ATOM 942 CB LEU B 7 5.832 -11.562 -0.874 1.00 0.00 C ATOM 943 CG LEU B 7 5.134 -12.897 -0.544 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.944 -13.686 0.484 1.00 0.00 C ATOM 945 CD2 LEU B 7 3.721 -12.717 0.006 1.00 0.00 C ATOM 0 H LEU B 7 6.115 -12.401 -3.152 1.00 0.00 H new ATOM 0 HA LEU B 7 4.185 -10.693 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.890 -11.757 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU B 7 5.766 -10.911 -0.002 1.00 0.00 H new ATOM 0 HG LEU B 7 5.068 -13.436 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU B 7 5.436 -14.625 0.705 1.00 0.00 H new ATOM 0 HD12 LEU B 7 6.936 -13.895 0.083 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.039 -13.101 1.399 1.00 0.00 H new ATOM 0 HD21 LEU B 7 3.286 -13.694 0.218 1.00 0.00 H new ATOM 0 HD22 LEU B 7 3.760 -12.130 0.924 1.00 0.00 H new ATOM 0 HD23 LEU B 7 3.107 -12.198 -0.730 1.00 0.00 H new ATOM 957 N LYS B 8 7.066 -9.226 -2.730 1.00 0.00 N ATOM 958 CA LYS B 8 7.891 -8.007 -2.691 1.00 0.00 C ATOM 959 C LYS B 8 7.495 -7.001 -3.786 1.00 0.00 C ATOM 960 O LYS B 8 7.805 -7.194 -4.962 1.00 0.00 O ATOM 961 CB LYS B 8 9.358 -8.460 -2.816 1.00 0.00 C ATOM 962 CG LYS B 8 10.411 -7.390 -2.501 1.00 0.00 C ATOM 963 CD LYS B 8 10.505 -7.087 -0.998 1.00 0.00 C ATOM 964 CE LYS B 8 11.757 -6.245 -0.737 1.00 0.00 C ATOM 965 NZ LYS B 8 11.948 -5.969 0.712 1.00 0.00 N ATOM 0 H LYS B 8 7.511 -9.979 -3.255 1.00 0.00 H new ATOM 0 HA LYS B 8 7.737 -7.472 -1.754 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.516 -9.307 -2.149 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.523 -8.819 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS B 8 11.384 -7.723 -2.863 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.167 -6.474 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS B 8 9.615 -6.552 -0.665 1.00 0.00 H new ATOM 0 HD3 LYS B 8 10.550 -8.015 -0.429 1.00 0.00 H new ATOM 0 HE2 LYS B 8 12.632 -6.766 -1.126 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.680 -5.302 -1.279 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 12.806 -5.397 0.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 11.125 -5.450 1.078 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 12.047 -6.867 1.226 1.00 0.00 H new ATOM 979 N GLY B 9 6.805 -5.926 -3.395 1.00 0.00 N ATOM 980 CA GLY B 9 6.366 -4.831 -4.262 1.00 0.00 C ATOM 981 C GLY B 9 4.873 -4.513 -4.208 1.00 0.00 C ATOM 982 O GLY B 9 4.440 -3.435 -4.605 1.00 0.00 O ATOM 0 H GLY B 9 6.525 -5.790 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.922 -3.932 -3.994 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.632 -5.075 -5.291 1.00 0.00 H new ATOM 986 N GLU B 10 4.075 -5.415 -3.648 1.00 0.00 N ATOM 987 CA GLU B 10 2.630 -5.229 -3.441 1.00 0.00 C ATOM 988 C GLU B 10 2.304 -4.013 -2.541 1.00 0.00 C ATOM 989 O GLU B 10 1.264 -3.384 -2.714 1.00 0.00 O ATOM 990 CB GLU B 10 2.044 -6.567 -2.933 1.00 0.00 C ATOM 991 CG GLU B 10 1.820 -7.616 -4.042 1.00 0.00 C ATOM 992 CD GLU B 10 0.466 -7.457 -4.742 1.00 0.00 C ATOM 993 OE1 GLU B 10 0.152 -6.587 -5.576 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.570 -8.121 -4.527 1.00 0.00 O ATOM 0 H GLU B 10 4.415 -6.318 -3.316 1.00 0.00 H new ATOM 0 HA GLU B 10 2.148 -4.976 -4.386 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.716 -6.984 -2.183 1.00 0.00 H new ATOM 0 HB3 GLU B 10 1.094 -6.370 -2.436 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.618 -7.534 -4.780 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.886 -8.615 -3.610 1.00 0.00 H new ATOM 1001 N LEU B 11 3.235 -3.563 -1.689 1.00 0.00 N ATOM 1002 CA LEU B 11 3.173 -2.379 -0.834 1.00 0.00 C ATOM 1003 C LEU B 11 4.042 -1.198 -1.260 1.00 0.00 C ATOM 1004 O LEU B 11 3.922 -0.115 -0.693 1.00 0.00 O ATOM 1005 CB LEU B 11 3.470 -2.885 0.570 1.00 0.00 C ATOM 1006 CG LEU B 11 4.932 -3.334 0.718 1.00 0.00 C ATOM 1007 CD1 LEU B 11 5.687 -2.366 1.620 1.00 0.00 C ATOM 1008 CD2 LEU B 11 4.983 -4.764 1.240 1.00 0.00 C ATOM 0 H LEU B 11 4.119 -4.059 -1.574 1.00 0.00 H new ATOM 0 HA LEU B 11 2.184 -1.927 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.257 -2.097 1.293 1.00 0.00 H new ATOM 0 HB3 LEU B 11 2.808 -3.719 0.803 1.00 0.00 H new ATOM 0 HG LEU B 11 5.422 -3.321 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.722 -2.693 1.719 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.662 -1.367 1.184 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.218 -2.344 2.604 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.022 -5.077 1.343 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.491 -4.815 2.211 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.473 -5.425 0.540 1.00 0.00 H new ATOM 1020 N GLN B 12 4.760 -1.364 -2.368 1.00 0.00 N ATOM 1021 CA GLN B 12 4.945 -0.282 -3.319 1.00 0.00 C ATOM 1022 C GLN B 12 3.621 0.053 -4.055 1.00 0.00 C ATOM 1023 O GLN B 12 3.553 1.073 -4.738 1.00 0.00 O ATOM 1024 CB GLN B 12 6.135 -0.593 -4.248 1.00 0.00 C ATOM 1025 CG GLN B 12 7.472 -0.376 -3.517 1.00 0.00 C ATOM 1026 CD GLN B 12 8.673 -0.632 -4.425 1.00 0.00 C ATOM 1027 OE1 GLN B 12 8.970 -1.755 -4.810 1.00 0.00 O ATOM 1028 NE2 GLN B 12 9.417 0.391 -4.801 1.00 0.00 N ATOM 0 H GLN B 12 5.221 -2.237 -2.625 1.00 0.00 H new ATOM 0 HA GLN B 12 5.207 0.634 -2.790 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.070 -1.623 -4.597 1.00 0.00 H new ATOM 0 HB3 GLN B 12 6.090 0.046 -5.130 1.00 0.00 H new ATOM 0 HG2 GLN B 12 7.516 0.645 -3.138 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.524 -1.039 -2.653 1.00 0.00 H new ATOM 0 HE21 GLN B 12 9.183 1.334 -4.489 1.00 0.00 H new ATOM 0 HE22 GLN B 12 10.226 0.239 -5.404 1.00 0.00 H new ATOM 1037 N GLY B 13 2.541 -0.726 -3.841 1.00 0.00 N ATOM 1038 CA GLY B 13 1.156 -0.318 -4.111 1.00 0.00 C ATOM 1039 C GLY B 13 0.402 0.100 -2.840 1.00 0.00 C ATOM 1040 O GLY B 13 0.023 1.263 -2.725 1.00 0.00 O ATOM 0 H GLY B 13 2.613 -1.673 -3.469 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.157 0.512 -4.817 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.626 -1.142 -4.589 1.00 0.00 H new ATOM 1044 N ILE B 14 0.236 -0.802 -1.855 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.601 -0.590 -0.637 1.00 0.00 C ATOM 1046 C ILE B 14 -0.335 0.763 0.038 1.00 0.00 C ATOM 1047 O ILE B 14 -1.259 1.560 0.222 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.436 -1.735 0.402 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.955 -3.077 -0.145 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.170 -1.444 1.729 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.479 -4.303 0.644 1.00 0.00 C ATOM 0 H ILE B 14 0.684 -1.718 -1.874 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.631 -0.594 -0.995 1.00 0.00 H new ATOM 0 HB ILE B 14 0.635 -1.797 0.593 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -2.045 -3.060 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.638 -3.181 -1.183 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.021 -2.276 2.417 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.772 -0.531 2.172 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.235 -1.319 1.536 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.889 -5.207 0.194 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.610 -4.349 0.623 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.819 -4.226 1.677 1.00 0.00 H new ATOM 1063 N LYS B 15 0.927 1.037 0.402 1.00 0.00 N ATOM 1064 CA LYS B 15 1.276 2.230 1.181 1.00 0.00 C ATOM 1065 C LYS B 15 1.236 3.524 0.361 1.00 0.00 C ATOM 1066 O LYS B 15 1.036 4.597 0.933 1.00 0.00 O ATOM 1067 CB LYS B 15 2.613 2.049 1.924 1.00 0.00 C ATOM 1068 CG LYS B 15 2.505 0.977 3.025 1.00 0.00 C ATOM 1069 CD LYS B 15 3.660 1.073 4.034 1.00 0.00 C ATOM 1070 CE LYS B 15 3.446 0.080 5.185 1.00 0.00 C ATOM 1071 NZ LYS B 15 4.427 0.289 6.283 1.00 0.00 N ATOM 0 H LYS B 15 1.724 0.445 0.167 1.00 0.00 H new ATOM 0 HA LYS B 15 0.496 2.342 1.934 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.390 1.766 1.214 1.00 0.00 H new ATOM 0 HB3 LYS B 15 2.916 2.998 2.367 1.00 0.00 H new ATOM 0 HG2 LYS B 15 1.555 1.089 3.549 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.503 -0.013 2.569 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.606 0.863 3.535 1.00 0.00 H new ATOM 0 HD3 LYS B 15 3.725 2.088 4.427 1.00 0.00 H new ATOM 0 HE2 LYS B 15 2.434 0.189 5.576 1.00 0.00 H new ATOM 0 HE3 LYS B 15 3.534 -0.939 4.808 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 4.251 -0.400 7.042 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 5.392 0.161 5.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 4.326 1.253 6.660 1.00 0.00 H new ATOM 1085 N GLN B 16 1.350 3.438 -0.967 1.00 0.00 N ATOM 1086 CA GLN B 16 1.176 4.564 -1.874 1.00 0.00 C ATOM 1087 C GLN B 16 -0.298 4.881 -2.135 1.00 0.00 C ATOM 1088 O GLN B 16 -0.684 6.049 -2.122 1.00 0.00 O ATOM 1089 CB GLN B 16 1.919 4.268 -3.184 1.00 0.00 C ATOM 1090 CG GLN B 16 3.443 4.424 -3.039 1.00 0.00 C ATOM 1091 CD GLN B 16 4.102 4.872 -4.346 1.00 0.00 C ATOM 1092 OE1 GLN B 16 4.257 4.124 -5.301 1.00 0.00 O ATOM 1093 NE2 GLN B 16 4.515 6.119 -4.448 1.00 0.00 N ATOM 0 H GLN B 16 1.570 2.565 -1.446 1.00 0.00 H new ATOM 0 HA GLN B 16 1.597 5.453 -1.404 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.689 3.253 -3.508 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.560 4.940 -3.963 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.660 5.151 -2.256 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.876 3.475 -2.722 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.396 6.761 -3.665 1.00 0.00 H new ATOM 0 HE22 GLN B 16 4.953 6.442 -5.310 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.143 3.862 -2.287 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.586 4.026 -2.439 1.00 0.00 C ATOM 1104 C TYR B 17 -3.225 4.732 -1.237 1.00 0.00 C ATOM 1105 O TYR B 17 -4.069 5.611 -1.423 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.255 2.662 -2.632 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.095 1.989 -3.988 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.335 2.709 -5.177 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.799 0.611 -4.058 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.268 2.058 -6.425 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.736 -0.043 -5.305 1.00 0.00 C ATOM 1112 CZ TYR B 17 -2.982 0.680 -6.493 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.035 0.047 -7.697 1.00 0.00 O ATOM 0 H TYR B 17 -0.840 2.888 -2.308 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.741 4.652 -3.318 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.865 1.985 -1.872 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.321 2.779 -2.438 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.571 3.762 -5.131 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.620 0.054 -3.150 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.437 2.618 -7.333 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.500 -1.096 -5.352 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.014 -0.923 -7.558 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.813 4.398 -0.005 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.386 5.043 1.190 1.00 0.00 C ATOM 1125 C ARG B 18 -3.067 6.547 1.260 1.00 0.00 C ATOM 1126 O ARG B 18 -3.884 7.337 1.727 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.992 4.289 2.465 1.00 0.00 C ATOM 1128 CG ARG B 18 -4.062 4.446 3.561 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.686 3.698 4.846 1.00 0.00 C ATOM 1130 NE ARG B 18 -4.826 3.657 5.790 1.00 0.00 N ATOM 1131 CZ ARG B 18 -4.951 4.271 6.955 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -4.022 5.040 7.451 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -6.036 4.119 7.660 1.00 0.00 N ATOM 0 H ARG B 18 -2.098 3.698 0.191 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.471 4.982 1.105 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -2.854 3.232 2.237 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.036 4.664 2.831 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.199 5.504 3.785 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -5.017 4.073 3.191 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.375 2.682 4.602 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.835 4.187 5.320 1.00 0.00 H new ATOM 0 HE ARG B 18 -5.618 3.080 5.505 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -3.154 5.189 6.936 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -4.163 5.493 8.354 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -6.790 3.526 7.314 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -6.131 4.593 8.558 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.910 6.945 0.727 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.496 8.344 0.528 1.00 0.00 C ATOM 1149 C GLU B 19 -2.238 9.027 -0.641 1.00 0.00 C ATOM 1150 O GLU B 19 -2.533 10.219 -0.591 1.00 0.00 O ATOM 1151 CB GLU B 19 0.021 8.362 0.250 1.00 0.00 C ATOM 1152 CG GLU B 19 0.763 9.510 0.943 1.00 0.00 C ATOM 1153 CD GLU B 19 1.098 9.167 2.411 1.00 0.00 C ATOM 1154 OE1 GLU B 19 0.195 9.230 3.280 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.273 8.840 2.708 1.00 0.00 O ATOM 0 H GLU B 19 -1.206 6.280 0.408 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.745 8.902 1.430 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.452 7.415 0.575 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.183 8.434 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU B 19 1.683 9.729 0.401 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.151 10.412 0.910 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.555 8.279 -1.700 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.181 8.765 -2.929 1.00 0.00 C ATOM 1164 C ALA B 20 -4.658 9.148 -2.743 1.00 0.00 C ATOM 1165 O ALA B 20 -5.122 10.084 -3.395 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.022 7.699 -4.020 1.00 0.00 C ATOM 0 H ALA B 20 -2.374 7.275 -1.724 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.674 9.684 -3.224 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.485 8.050 -4.942 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.962 7.512 -4.195 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.505 6.776 -3.700 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.391 8.499 -1.826 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.762 8.905 -1.483 1.00 0.00 C ATOM 1174 C LEU B 21 -6.829 10.345 -0.951 1.00 0.00 C ATOM 1175 O LEU B 21 -7.847 11.004 -1.137 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.404 7.884 -0.527 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.891 8.149 -0.196 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.649 6.834 -0.020 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.072 8.932 1.111 1.00 0.00 C ATOM 0 H LEU B 21 -5.055 7.688 -1.307 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.351 8.908 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.316 6.891 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.836 7.872 0.403 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.278 8.729 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.693 7.044 0.212 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.592 6.255 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.204 6.264 0.795 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.134 9.091 1.296 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.641 8.366 1.937 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.570 9.896 1.030 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.760 10.887 -0.360 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.755 12.307 0.028 1.00 0.00 C ATOM 1193 C GLU B 22 -5.816 13.266 -1.178 1.00 0.00 C ATOM 1194 O GLU B 22 -6.386 14.353 -1.082 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.524 12.617 0.884 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.764 12.265 2.359 1.00 0.00 C ATOM 1197 CD GLU B 22 -3.565 12.653 3.247 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -3.225 13.859 3.331 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -2.974 11.760 3.902 1.00 0.00 O ATOM 0 H GLU B 22 -4.902 10.380 -0.142 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.662 12.474 0.608 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.668 12.056 0.509 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -4.275 13.675 0.797 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.658 12.777 2.713 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.952 11.195 2.451 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.262 12.847 -2.317 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.308 13.565 -3.597 1.00 0.00 C ATOM 1208 C TYR B 23 -6.592 13.280 -4.402 1.00 0.00 C ATOM 1209 O TYR B 23 -7.166 14.208 -4.975 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.064 13.205 -4.434 1.00 0.00 C ATOM 1211 CG TYR B 23 -2.817 14.027 -4.139 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.288 14.106 -2.833 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -2.176 14.716 -5.190 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.144 14.886 -2.574 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -1.026 15.489 -4.937 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.509 15.583 -3.627 1.00 0.00 C ATOM 1217 OH TYR B 23 0.596 16.343 -3.388 1.00 0.00 O ATOM 0 H TYR B 23 -4.750 11.967 -2.378 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.314 14.631 -3.370 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.831 12.152 -4.273 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -4.312 13.319 -5.489 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -2.763 13.565 -2.028 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -2.569 14.650 -6.194 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -0.752 14.952 -1.570 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -0.539 16.011 -5.747 1.00 0.00 H new ATOM 0 HH TYR B 23 0.901 16.749 -4.226 1.00 0.00 H new ATOM 1227 N THR B 24 -7.066 12.026 -4.455 1.00 0.00 N ATOM 1228 CA THR B 24 -8.202 11.619 -5.317 1.00 0.00 C ATOM 1229 C THR B 24 -9.565 11.650 -4.619 1.00 0.00 C ATOM 1230 O THR B 24 -10.595 11.753 -5.290 1.00 0.00 O ATOM 1231 CB THR B 24 -8.013 10.195 -5.863 1.00 0.00 C ATOM 1232 OG1 THR B 24 -8.058 9.272 -4.800 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.699 9.997 -6.619 1.00 0.00 C ATOM 0 H THR B 24 -6.677 11.261 -3.904 1.00 0.00 H new ATOM 0 HA THR B 24 -8.201 12.360 -6.116 1.00 0.00 H new ATOM 0 HB THR B 24 -8.825 10.032 -6.572 1.00 0.00 H new ATOM 0 HG1 THR B 24 -7.499 8.497 -5.016 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.635 8.969 -6.975 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.662 10.678 -7.469 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.861 10.203 -5.953 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.586 11.515 -3.286 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.750 11.258 -2.417 1.00 0.00 C ATOM 1243 C HIS B 25 -11.783 10.231 -2.948 1.00 0.00 C ATOM 1244 O HIS B 25 -12.962 10.284 -2.591 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.340 12.595 -1.923 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.646 13.070 -0.670 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.944 12.667 0.621 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.566 13.907 -0.605 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -10.064 13.254 1.458 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -9.220 14.017 0.732 1.00 0.00 N ATOM 0 H HIS B 25 -8.726 11.588 -2.743 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.380 10.718 -1.545 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -11.242 13.349 -2.704 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.406 12.475 -1.728 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.076 14.390 -1.438 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -10.039 13.133 2.531 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.456 14.580 1.105 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.369 9.297 -3.813 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.278 8.401 -4.541 1.00 0.00 C ATOM 1261 C ASN B 26 -12.587 7.095 -3.770 1.00 0.00 C ATOM 1262 O ASN B 26 -11.690 6.533 -3.136 1.00 0.00 O ATOM 1263 CB ASN B 26 -11.674 8.111 -5.934 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.391 8.880 -7.033 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.108 8.314 -7.843 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -12.246 10.183 -7.087 1.00 0.00 N ATOM 0 H ASN B 26 -10.385 9.140 -4.030 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.240 8.902 -4.651 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -10.617 8.378 -5.934 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -11.733 7.042 -6.140 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -12.732 10.721 -7.805 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -11.647 10.658 -6.411 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.816 6.540 -3.889 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.202 5.270 -3.257 1.00 0.00 C ATOM 1275 C PRO B 27 -13.552 4.042 -3.918 1.00 0.00 C ATOM 1276 O PRO B 27 -13.577 2.944 -3.366 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.730 5.214 -3.380 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.001 5.974 -4.677 1.00 0.00 C ATOM 1279 CD PRO B 27 -14.940 7.073 -4.654 1.00 0.00 C ATOM 0 HA PRO B 27 -13.860 5.238 -2.223 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -16.093 4.187 -3.431 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.221 5.684 -2.527 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.898 5.331 -5.551 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.010 6.386 -4.701 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.632 7.337 -5.666 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.330 7.980 -4.192 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.955 4.212 -5.101 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.296 3.144 -5.865 1.00 0.00 C ATOM 1289 C VAL B 28 -11.038 2.630 -5.172 1.00 0.00 C ATOM 1290 O VAL B 28 -10.779 1.429 -5.191 1.00 0.00 O ATOM 1291 CB VAL B 28 -11.992 3.613 -7.298 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.755 2.403 -8.189 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -13.129 4.419 -7.948 1.00 0.00 C ATOM 0 H VAL B 28 -12.914 5.118 -5.567 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.989 2.304 -5.917 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.118 4.258 -7.212 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.540 2.736 -9.204 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.910 1.830 -7.808 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.646 1.775 -8.194 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.837 4.713 -8.956 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.029 3.806 -7.995 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -13.328 5.311 -7.354 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.290 3.483 -4.468 1.00 0.00 N ATOM 1304 CA LEU B 29 -9.145 3.040 -3.678 1.00 0.00 C ATOM 1305 C LEU B 29 -9.581 2.154 -2.502 1.00 0.00 C ATOM 1306 O LEU B 29 -8.907 1.168 -2.213 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.314 4.251 -3.236 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.535 4.904 -4.391 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.374 5.918 -5.171 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.307 5.637 -3.865 1.00 0.00 C ATOM 0 H LEU B 29 -10.460 4.488 -4.431 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.506 2.414 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.974 4.992 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.612 3.939 -2.463 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.253 4.088 -5.056 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -7.773 6.347 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.245 5.419 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.702 6.712 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.770 6.092 -4.698 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.618 6.414 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.653 4.931 -3.354 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.767 2.397 -1.928 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.432 1.499 -0.974 1.00 0.00 C ATOM 1324 C ALA B 30 -11.951 0.174 -1.598 1.00 0.00 C ATOM 1325 O ALA B 30 -12.644 -0.592 -0.927 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.533 2.279 -0.240 1.00 0.00 C ATOM 0 H ALA B 30 -11.303 3.243 -2.119 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.683 1.165 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -13.033 1.621 0.471 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -12.089 3.120 0.294 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -13.259 2.651 -0.963 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.577 -0.129 -2.851 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.604 -1.459 -3.469 1.00 0.00 C ATOM 1334 C LYS B 31 -10.204 -1.907 -3.898 1.00 0.00 C ATOM 1335 O LYS B 31 -9.807 -3.021 -3.575 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.580 -1.512 -4.659 1.00 0.00 C ATOM 1337 CG LYS B 31 -14.007 -1.057 -4.320 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.959 -1.342 -5.489 1.00 0.00 C ATOM 1339 CE LYS B 31 -16.361 -0.808 -5.166 1.00 0.00 C ATOM 1340 NZ LYS B 31 -17.343 -1.163 -6.223 1.00 0.00 N ATOM 0 H LYS B 31 -11.230 0.585 -3.491 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.963 -2.155 -2.711 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.191 -0.886 -5.462 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.616 -2.533 -5.040 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.356 -1.574 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -14.010 0.009 -4.094 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.583 -0.873 -6.398 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -15.004 -2.414 -5.679 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.693 -1.213 -4.210 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.321 0.276 -5.056 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -18.278 -0.785 -5.969 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -17.039 -0.755 -7.130 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -17.400 -2.198 -6.311 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.420 -1.027 -4.532 1.00 0.00 N ATOM 1355 CA ILE B 32 -8.046 -1.324 -4.990 1.00 0.00 C ATOM 1356 C ILE B 32 -7.145 -1.705 -3.810 1.00 0.00 C ATOM 1357 O ILE B 32 -6.749 -2.865 -3.696 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.438 -0.159 -5.809 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.263 0.247 -7.052 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.036 -0.562 -6.288 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.941 1.678 -7.517 1.00 0.00 C ATOM 0 H ILE B 32 -9.720 -0.076 -4.747 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.108 -2.181 -5.660 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.423 0.700 -5.139 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.062 -0.452 -7.864 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.326 0.171 -6.822 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.601 0.253 -6.866 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.404 -0.774 -5.426 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.107 -1.452 -6.913 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.543 1.920 -8.392 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.167 2.381 -6.715 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.884 1.748 -7.773 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.846 -0.763 -2.907 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.999 -1.048 -1.743 1.00 0.00 C ATOM 1375 C LEU B 33 -6.694 -1.982 -0.752 1.00 0.00 C ATOM 1376 O LEU B 33 -6.018 -2.732 -0.050 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.433 0.243 -1.122 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.290 0.973 -0.071 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -6.127 0.428 1.353 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.904 2.451 -0.002 1.00 0.00 C ATOM 0 H LEU B 33 -7.177 0.200 -2.960 1.00 0.00 H new ATOM 0 HA LEU B 33 -5.124 -1.603 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.475 0.001 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.230 0.943 -1.933 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.318 0.819 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.763 0.994 2.034 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.416 -0.623 1.376 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.086 0.525 1.663 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.519 2.953 0.745 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.853 2.540 0.273 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.065 2.915 -0.975 1.00 0.00 H new ATOM 1392 N GLU B 34 -8.033 -1.984 -0.737 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.785 -2.962 0.048 1.00 0.00 C ATOM 1394 C GLU B 34 -8.465 -4.404 -0.381 1.00 0.00 C ATOM 1395 O GLU B 34 -8.320 -5.265 0.484 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.294 -2.676 0.026 1.00 0.00 C ATOM 1397 CG GLU B 34 -11.052 -3.591 1.004 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.542 -3.219 1.135 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.892 -2.418 2.035 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -13.381 -3.784 0.388 1.00 0.00 O ATOM 0 H GLU B 34 -8.611 -1.323 -1.256 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.461 -2.859 1.083 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.472 -1.633 0.288 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.679 -2.821 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.968 -4.624 0.667 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.581 -3.536 1.985 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.279 -4.680 -1.679 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.899 -6.012 -2.144 1.00 0.00 C ATOM 1409 C ASP B 35 -6.423 -6.341 -1.919 1.00 0.00 C ATOM 1410 O ASP B 35 -6.114 -7.428 -1.428 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.180 -6.154 -3.636 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.643 -6.032 -4.081 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.568 -6.380 -3.304 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.839 -5.646 -5.258 1.00 0.00 O ATOM 0 H ASP B 35 -8.387 -3.992 -2.425 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.498 -6.706 -1.554 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.600 -5.397 -4.164 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.806 -7.125 -3.961 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.507 -5.413 -2.217 1.00 0.00 N ATOM 1420 CA GLU B 36 -4.074 -5.609 -1.960 1.00 0.00 C ATOM 1421 C GLU B 36 -3.782 -5.951 -0.483 1.00 0.00 C ATOM 1422 O GLU B 36 -2.799 -6.629 -0.189 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.285 -4.351 -2.347 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.439 -3.809 -3.773 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.876 -4.683 -4.890 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.351 -5.803 -4.688 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -2.975 -4.288 -6.080 1.00 0.00 O ATOM 0 H GLU B 36 -5.734 -4.513 -2.639 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.759 -6.454 -2.572 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.566 -3.556 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.228 -4.557 -2.182 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.500 -3.648 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.954 -2.834 -3.823 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.663 -5.544 0.440 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.550 -5.848 1.874 1.00 0.00 C ATOM 1436 C GLU B 37 -4.701 -7.356 2.156 1.00 0.00 C ATOM 1437 O GLU B 37 -4.064 -7.889 3.069 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.619 -5.051 2.643 1.00 0.00 C ATOM 1439 CG GLU B 37 -5.413 -4.990 4.163 1.00 0.00 C ATOM 1440 CD GLU B 37 -4.200 -4.123 4.559 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -4.371 -2.899 4.777 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -3.073 -4.662 4.683 1.00 0.00 O ATOM 0 H GLU B 37 -5.486 -4.987 0.209 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.554 -5.557 2.209 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.642 -4.033 2.253 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.595 -5.492 2.441 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -6.311 -4.589 4.633 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -5.275 -6.000 4.549 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.500 -8.058 1.337 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.597 -9.524 1.348 1.00 0.00 C ATOM 1451 C LYS B 38 -4.497 -10.172 0.525 1.00 0.00 C ATOM 1452 O LYS B 38 -3.917 -11.143 0.993 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.943 -10.035 0.807 1.00 0.00 C ATOM 1454 CG LYS B 38 -8.164 -9.625 1.637 1.00 0.00 C ATOM 1455 CD LYS B 38 -8.878 -8.397 1.064 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.819 -8.741 -0.101 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.126 -9.264 0.379 1.00 0.00 N ATOM 0 H LYS B 38 -6.103 -7.618 0.642 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.498 -9.802 2.397 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.073 -9.668 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.907 -11.123 0.751 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.864 -10.459 1.684 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.850 -9.414 2.659 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.450 -7.914 1.856 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -8.134 -7.677 0.723 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.985 -7.852 -0.709 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.345 -9.483 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.732 -9.484 -0.437 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -10.970 -10.127 0.938 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.590 -8.547 0.972 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.211 -9.663 -0.678 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.402 -10.306 -1.710 1.00 0.00 C ATOM 1473 C HIS B 39 -2.079 -10.901 -1.209 1.00 0.00 C ATOM 1474 O HIS B 39 -1.767 -12.047 -1.532 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.154 -9.255 -2.789 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.275 -8.973 -3.749 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.109 -8.244 -4.928 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.575 -9.379 -3.649 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.318 -8.226 -5.512 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.208 -8.916 -4.776 1.00 0.00 N ATOM 0 H HIS B 39 -4.555 -8.748 -0.969 1.00 0.00 H new ATOM 0 HA HIS B 39 -3.950 -11.169 -2.090 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.891 -8.320 -2.295 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.284 -9.565 -3.368 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.250 -7.815 -5.273 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.016 -9.949 -2.845 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.544 -7.727 -6.443 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.188 -9.069 -5.015 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.331 -10.156 -0.389 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.049 -10.624 0.173 1.00 0.00 C ATOM 1490 C ILE B 40 -0.230 -11.864 1.066 1.00 0.00 C ATOM 1491 O ILE B 40 0.475 -12.857 0.889 1.00 0.00 O ATOM 1492 CB ILE B 40 0.674 -9.475 0.924 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.925 -8.278 -0.026 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.009 -9.938 1.537 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.718 -7.116 0.596 1.00 0.00 C ATOM 0 H ILE B 40 -1.591 -9.215 -0.094 1.00 0.00 H new ATOM 0 HA ILE B 40 0.584 -10.931 -0.659 1.00 0.00 H new ATOM 0 HB ILE B 40 0.019 -9.163 1.738 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.461 -8.636 -0.905 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -0.037 -7.899 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.482 -9.102 2.053 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.823 -10.745 2.246 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.668 -10.295 0.746 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.844 -6.325 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE B 40 1.176 -6.725 1.457 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.697 -7.473 0.916 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.192 -11.855 1.993 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.509 -13.041 2.804 1.00 0.00 C ATOM 1509 C GLU B 41 -2.195 -14.143 1.986 1.00 0.00 C ATOM 1510 O GLU B 41 -1.894 -15.319 2.172 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.347 -12.659 4.035 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.444 -12.129 5.159 1.00 0.00 C ATOM 1513 CD GLU B 41 -2.254 -11.715 6.405 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -2.874 -12.591 7.056 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -2.255 -10.511 6.762 1.00 0.00 O ATOM 0 H GLU B 41 -1.768 -11.039 2.203 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.561 -13.452 3.150 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.080 -11.900 3.762 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.903 -13.528 4.387 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.721 -12.896 5.435 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.876 -11.273 4.795 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.045 -13.790 1.024 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.690 -14.721 0.097 1.00 0.00 C ATOM 1524 C TRP B 42 -2.708 -15.638 -0.655 1.00 0.00 C ATOM 1525 O TRP B 42 -3.030 -16.813 -0.836 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.608 -13.916 -0.843 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.020 -13.684 -0.390 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.539 -13.986 0.823 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.117 -13.080 -1.145 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.885 -13.676 0.848 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.294 -13.104 -0.339 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.229 -12.488 -2.422 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.522 -12.588 -0.784 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.449 -11.951 -2.874 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.597 -12.008 -2.063 1.00 0.00 C ATOM 0 H TRP B 42 -3.313 -12.819 0.862 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.291 -15.422 0.676 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.145 -12.945 -1.017 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.642 -14.430 -1.804 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.984 -14.407 1.648 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.499 -13.848 1.644 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.362 -12.446 -3.064 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.397 -12.636 -0.153 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.504 -11.492 -3.850 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.534 -11.607 -2.422 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.494 -15.186 -1.005 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.469 -16.068 -1.598 1.00 0.00 C ATOM 1548 C LEU B 43 0.504 -16.731 -0.590 1.00 0.00 C ATOM 1549 O LEU B 43 1.419 -17.441 -1.006 1.00 0.00 O ATOM 1550 CB LEU B 43 0.197 -15.404 -2.814 1.00 0.00 C ATOM 1551 CG LEU B 43 1.249 -14.343 -2.470 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.665 -14.842 -2.766 1.00 0.00 C ATOM 1553 CD2 LEU B 43 1.036 -13.086 -3.308 1.00 0.00 C ATOM 0 H LEU B 43 -1.196 -14.218 -0.889 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.001 -16.941 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.667 -16.178 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.577 -14.943 -3.428 1.00 0.00 H new ATOM 0 HG LEU B 43 1.140 -14.129 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.385 -14.065 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.868 -15.734 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.752 -15.083 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.792 -12.344 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.119 -13.336 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.045 -12.679 -3.108 1.00 0.00 H new ATOM 1565 N GLU B 44 0.294 -16.569 0.724 1.00 0.00 N ATOM 1566 CA GLU B 44 1.165 -17.114 1.787 1.00 0.00 C ATOM 1567 C GLU B 44 0.421 -18.014 2.800 1.00 0.00 C ATOM 1568 O GLU B 44 0.991 -18.985 3.301 1.00 0.00 O ATOM 1569 CB GLU B 44 1.883 -15.954 2.503 1.00 0.00 C ATOM 1570 CG GLU B 44 3.148 -16.421 3.238 1.00 0.00 C ATOM 1571 CD GLU B 44 3.739 -15.321 4.147 1.00 0.00 C ATOM 1572 OE1 GLU B 44 3.996 -14.189 3.671 1.00 0.00 O ATOM 1573 OE2 GLU B 44 3.969 -15.590 5.351 1.00 0.00 O ATOM 0 H GLU B 44 -0.501 -16.045 1.090 1.00 0.00 H new ATOM 0 HA GLU B 44 1.894 -17.764 1.303 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.150 -15.189 1.774 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.201 -15.491 3.216 1.00 0.00 H new ATOM 0 HG2 GLU B 44 2.912 -17.299 3.840 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.897 -16.727 2.508 1.00 0.00 H new ATOM 1580 N THR B 45 -0.876 -17.791 3.041 1.00 0.00 N ATOM 1581 CA THR B 45 -1.742 -18.684 3.840 1.00 0.00 C ATOM 1582 C THR B 45 -1.731 -20.127 3.304 1.00 0.00 C ATOM 1583 O THR B 45 -1.800 -21.083 4.078 1.00 0.00 O ATOM 1584 CB THR B 45 -3.171 -18.113 3.891 1.00 0.00 C ATOM 1585 OG1 THR B 45 -3.145 -16.887 4.595 1.00 0.00 O ATOM 1586 CG2 THR B 45 -4.187 -18.996 4.616 1.00 0.00 C ATOM 0 H THR B 45 -1.368 -16.972 2.683 1.00 0.00 H new ATOM 0 HA THR B 45 -1.345 -18.728 4.854 1.00 0.00 H new ATOM 0 HB THR B 45 -3.483 -18.023 2.851 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.756 -16.191 4.026 1.00 0.00 H new ATOM 0 HG21 THR B 45 -5.164 -18.513 4.602 1.00 0.00 H new ATOM 0 HG22 THR B 45 -4.252 -19.962 4.115 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.870 -19.143 5.649 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.549 -20.284 1.987 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.372 -21.560 1.275 1.00 0.00 C ATOM 1596 C ILE B 46 -0.169 -22.385 1.779 1.00 0.00 C ATOM 1597 O ILE B 46 -0.251 -23.614 1.816 1.00 0.00 O ATOM 1598 CB ILE B 46 -1.228 -21.260 -0.239 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -2.439 -20.504 -0.835 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -0.952 -22.523 -1.073 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -3.797 -21.217 -0.726 1.00 0.00 C ATOM 0 H ILE B 46 -1.519 -19.484 1.355 1.00 0.00 H new ATOM 0 HA ILE B 46 -2.251 -22.175 1.469 1.00 0.00 H new ATOM 0 HB ILE B 46 -0.360 -20.604 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.518 -19.536 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -2.237 -20.307 -1.888 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -0.861 -22.252 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.025 -22.986 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -1.775 -23.227 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -4.571 -20.596 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -3.749 -22.172 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -4.034 -21.389 0.324 1.00 0.00 H new