USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 GLN : amide:sc= 0 X(o=-1,f=-1.2) USER MOD Set 1.2: A 38 SER OG : rot -16:sc= -1! USER MOD Set 2.1: A 13 TYR OH : rot 120:sc= -3.98! USER MOD Set 2.2: A 34 THR OG1 : rot -163:sc= 0.123 USER MOD Single : A 2 SER OG : rot 160:sc= -4.86! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 154:sc= -0.494 (180deg=-1.39!) USER MOD Single : A 16 LYS NZ :NH3+ 147:sc= -0.76 (180deg=-2.97!) USER MOD Single : A 21 ASN : amide:sc=-0.00025 X(o=-0.00025,f=-0.097) USER MOD Single : A 22 GLN : amide:sc= -10.4! C(o=-10!,f=-20!) USER MOD Single : A 24 SER OG : rot -106:sc= -2.7! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -4.1! K(o=-4.1!,f=-1.7) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.0724 X(o=0.072,f=-0.028) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -146:sc= -0.316 (180deg=-1.8!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 2 9.300 8.515 6.704 1.00 0.00 N ATOM 41 CA SER A 2 10.141 8.780 7.885 1.00 0.00 C ATOM 42 C SER A 2 11.466 8.055 7.656 1.00 0.00 C ATOM 43 O SER A 2 11.660 7.518 6.591 1.00 0.00 O ATOM 44 CB SER A 2 9.407 8.265 9.118 1.00 0.00 C ATOM 45 OG SER A 2 9.956 7.021 9.506 1.00 0.00 O ATOM 0 HA SER A 2 10.339 9.841 8.037 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.494 8.983 9.933 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.344 8.155 8.902 1.00 0.00 H new ATOM 0 HG SER A 2 9.730 6.841 10.442 1.00 0.00 H new ATOM 51 N PRO A 3 12.345 8.076 8.624 1.00 0.00 N ATOM 52 CA PRO A 3 13.667 7.425 8.492 1.00 0.00 C ATOM 53 C PRO A 3 13.544 5.920 8.153 1.00 0.00 C ATOM 54 O PRO A 3 13.788 5.080 8.996 1.00 0.00 O ATOM 55 CB PRO A 3 14.325 7.604 9.868 1.00 0.00 C ATOM 56 CG PRO A 3 13.391 8.497 10.725 1.00 0.00 C ATOM 57 CD PRO A 3 12.108 8.743 9.919 1.00 0.00 C ATOM 0 HA PRO A 3 14.244 7.866 7.680 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.476 6.637 10.348 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.307 8.066 9.765 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.160 8.009 11.672 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.879 9.442 10.964 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.237 8.327 10.425 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.921 9.809 9.787 1.00 0.00 H new ATOM 65 N GLU A 4 13.187 5.559 6.931 1.00 0.00 N ATOM 66 CA GLU A 4 13.083 4.121 6.581 1.00 0.00 C ATOM 67 C GLU A 4 12.142 3.417 7.548 1.00 0.00 C ATOM 68 O GLU A 4 12.434 2.341 8.030 1.00 0.00 O ATOM 69 CB GLU A 4 14.466 3.473 6.657 1.00 0.00 C ATOM 70 CG GLU A 4 15.471 4.305 5.856 1.00 0.00 C ATOM 71 CD GLU A 4 16.891 3.816 6.153 1.00 0.00 C ATOM 72 OE1 GLU A 4 17.024 2.698 6.624 1.00 0.00 O ATOM 73 OE2 GLU A 4 17.820 4.565 5.901 1.00 0.00 O ATOM 0 H GLU A 4 12.967 6.207 6.174 1.00 0.00 H new ATOM 0 HA GLU A 4 12.691 4.030 5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.787 3.399 7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.424 2.457 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.261 4.220 4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.376 5.359 6.117 1.00 0.00 H new ATOM 80 N GLU A 5 11.006 3.991 7.831 1.00 0.00 N ATOM 81 CA GLU A 5 10.077 3.298 8.757 1.00 0.00 C ATOM 82 C GLU A 5 8.954 2.676 7.943 1.00 0.00 C ATOM 83 O GLU A 5 8.235 1.814 8.409 1.00 0.00 O ATOM 84 CB GLU A 5 9.519 4.282 9.763 1.00 0.00 C ATOM 85 CG GLU A 5 9.311 3.584 11.108 1.00 0.00 C ATOM 86 CD GLU A 5 10.609 3.641 11.914 1.00 0.00 C ATOM 87 OE1 GLU A 5 11.574 4.189 11.406 1.00 0.00 O ATOM 88 OE2 GLU A 5 10.618 3.138 13.026 1.00 0.00 O ATOM 0 H GLU A 5 10.688 4.890 7.469 1.00 0.00 H new ATOM 0 HA GLU A 5 10.607 2.518 9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.202 5.123 9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.573 4.688 9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.505 4.067 11.660 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.013 2.548 10.950 1.00 0.00 H new ATOM 95 N LEU A 6 8.804 3.102 6.720 1.00 0.00 N ATOM 96 CA LEU A 6 7.737 2.532 5.874 1.00 0.00 C ATOM 97 C LEU A 6 8.225 1.202 5.322 1.00 0.00 C ATOM 98 O LEU A 6 7.465 0.271 5.168 1.00 0.00 O ATOM 99 CB LEU A 6 7.419 3.449 4.709 1.00 0.00 C ATOM 100 CG LEU A 6 5.914 3.594 4.616 1.00 0.00 C ATOM 101 CD1 LEU A 6 5.529 4.154 3.253 1.00 0.00 C ATOM 102 CD2 LEU A 6 5.221 2.244 4.815 1.00 0.00 C ATOM 0 H LEU A 6 9.377 3.820 6.276 1.00 0.00 H new ATOM 0 HA LEU A 6 6.837 2.407 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.886 4.423 4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.819 3.038 3.782 1.00 0.00 H new ATOM 0 HG LEU A 6 5.592 4.276 5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.445 4.255 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.993 5.131 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.873 3.477 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.141 2.375 4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.554 1.547 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.474 1.847 5.798 1.00 0.00 H new ATOM 114 N LYS A 7 9.498 1.109 5.026 1.00 0.00 N ATOM 115 CA LYS A 7 10.056 -0.165 4.485 1.00 0.00 C ATOM 116 C LYS A 7 9.399 -1.339 5.207 1.00 0.00 C ATOM 117 O LYS A 7 9.257 -2.417 4.663 1.00 0.00 O ATOM 118 CB LYS A 7 11.568 -0.198 4.725 1.00 0.00 C ATOM 119 CG LYS A 7 12.259 -0.926 3.572 1.00 0.00 C ATOM 120 CD LYS A 7 13.776 -0.851 3.766 1.00 0.00 C ATOM 121 CE LYS A 7 14.450 -1.999 3.011 1.00 0.00 C ATOM 122 NZ LYS A 7 15.233 -1.449 1.869 1.00 0.00 N ATOM 0 H LYS A 7 10.175 1.864 5.137 1.00 0.00 H new ATOM 0 HA LYS A 7 9.858 -0.233 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.954 0.818 4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.785 -0.701 5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.936 -1.966 3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.979 -0.473 2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.152 0.106 3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.020 -0.908 4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.106 -2.554 3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.699 -2.700 2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.692 -2.228 1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.596 -0.938 1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.959 -0.797 2.228 1.00 0.00 H new ATOM 136 N GLY A 8 8.978 -1.131 6.427 1.00 0.00 N ATOM 137 CA GLY A 8 8.310 -2.233 7.179 1.00 0.00 C ATOM 138 C GLY A 8 7.074 -2.703 6.406 1.00 0.00 C ATOM 139 O GLY A 8 6.964 -3.859 6.048 1.00 0.00 O ATOM 0 H GLY A 8 9.067 -0.250 6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.002 -3.063 7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.022 -1.887 8.172 1.00 0.00 H new ATOM 143 N ILE A 9 6.144 -1.814 6.150 1.00 0.00 N ATOM 144 CA ILE A 9 4.912 -2.191 5.400 1.00 0.00 C ATOM 145 C ILE A 9 5.257 -3.178 4.304 1.00 0.00 C ATOM 146 O ILE A 9 4.526 -4.107 4.023 1.00 0.00 O ATOM 147 CB ILE A 9 4.339 -0.938 4.766 1.00 0.00 C ATOM 148 CG1 ILE A 9 2.913 -1.200 4.330 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.164 -0.515 3.553 1.00 0.00 C ATOM 150 CD1 ILE A 9 2.027 -0.093 4.883 1.00 0.00 C ATOM 0 H ILE A 9 6.190 -0.835 6.433 1.00 0.00 H new ATOM 0 HA ILE A 9 4.192 -2.646 6.080 1.00 0.00 H new ATOM 0 HB ILE A 9 4.365 -0.136 5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.849 -1.229 3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.578 -2.171 4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.733 0.386 3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.189 -0.313 3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.160 -1.315 2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.995 -0.266 4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.088 -0.088 5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.363 0.869 4.496 1.00 0.00 H new ATOM 162 N PHE A 10 6.372 -2.961 3.687 1.00 0.00 N ATOM 163 CA PHE A 10 6.824 -3.861 2.601 1.00 0.00 C ATOM 164 C PHE A 10 7.429 -5.174 3.117 1.00 0.00 C ATOM 165 O PHE A 10 8.468 -5.612 2.664 1.00 0.00 O ATOM 166 CB PHE A 10 7.831 -3.146 1.708 1.00 0.00 C ATOM 167 CG PHE A 10 7.288 -3.018 0.324 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.994 -2.561 0.060 1.00 0.00 C ATOM 169 CD2 PHE A 10 8.112 -3.441 -0.711 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.537 -2.536 -1.267 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.668 -3.406 -2.014 1.00 0.00 C ATOM 172 CZ PHE A 10 6.387 -2.960 -2.304 1.00 0.00 C ATOM 0 H PHE A 10 7.002 -2.185 3.891 1.00 0.00 H new ATOM 0 HA PHE A 10 5.935 -4.124 2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.052 -2.159 2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.770 -3.700 1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.355 -2.232 0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.107 -3.800 -0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.538 -2.193 -1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.320 -3.727 -2.813 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.042 -2.938 -3.327 1.00 0.00 H new ATOM 182 N GLU A 11 6.764 -5.816 4.024 1.00 0.00 N ATOM 183 CA GLU A 11 7.244 -7.121 4.552 1.00 0.00 C ATOM 184 C GLU A 11 6.066 -7.805 5.261 1.00 0.00 C ATOM 185 O GLU A 11 5.967 -9.012 5.325 1.00 0.00 O ATOM 186 CB GLU A 11 8.400 -6.891 5.531 1.00 0.00 C ATOM 187 CG GLU A 11 7.897 -6.158 6.778 1.00 0.00 C ATOM 188 CD GLU A 11 8.219 -6.988 8.022 1.00 0.00 C ATOM 189 OE1 GLU A 11 8.997 -7.920 7.903 1.00 0.00 O ATOM 190 OE2 GLU A 11 7.681 -6.677 9.072 1.00 0.00 O ATOM 0 H GLU A 11 5.889 -5.488 4.433 1.00 0.00 H new ATOM 0 HA GLU A 11 7.608 -7.753 3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.842 -7.846 5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.184 -6.308 5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.367 -5.177 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.822 -5.992 6.707 1.00 0.00 H new ATOM 197 N LYS A 12 5.167 -7.016 5.774 1.00 0.00 N ATOM 198 CA LYS A 12 3.953 -7.565 6.459 1.00 0.00 C ATOM 199 C LYS A 12 2.819 -7.745 5.441 1.00 0.00 C ATOM 200 O LYS A 12 2.416 -8.847 5.124 1.00 0.00 O ATOM 201 CB LYS A 12 3.483 -6.657 7.615 1.00 0.00 C ATOM 202 CG LYS A 12 3.752 -5.176 7.324 1.00 0.00 C ATOM 203 CD LYS A 12 4.996 -4.726 8.092 1.00 0.00 C ATOM 204 CE LYS A 12 4.592 -4.272 9.498 1.00 0.00 C ATOM 205 NZ LYS A 12 4.607 -5.440 10.423 1.00 0.00 N ATOM 0 H LYS A 12 5.218 -5.998 5.750 1.00 0.00 H new ATOM 0 HA LYS A 12 4.222 -8.531 6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.416 -6.806 7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.994 -6.945 8.534 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.897 -5.024 6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.892 -4.574 7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.713 -5.544 8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.488 -3.910 7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.278 -3.504 9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.598 -3.826 9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.773 -5.111 11.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.692 -5.932 10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.367 -6.094 10.145 1.00 0.00 H new ATOM 219 N TYR A 13 2.293 -6.650 4.946 1.00 0.00 N ATOM 220 CA TYR A 13 1.169 -6.705 3.964 1.00 0.00 C ATOM 221 C TYR A 13 1.717 -7.031 2.582 1.00 0.00 C ATOM 222 O TYR A 13 1.139 -7.791 1.832 1.00 0.00 O ATOM 223 CB TYR A 13 0.481 -5.337 3.905 1.00 0.00 C ATOM 224 CG TYR A 13 0.485 -4.701 5.272 1.00 0.00 C ATOM 225 CD1 TYR A 13 0.422 -5.502 6.415 1.00 0.00 C ATOM 226 CD2 TYR A 13 0.528 -3.307 5.393 1.00 0.00 C ATOM 227 CE1 TYR A 13 0.398 -4.912 7.684 1.00 0.00 C ATOM 228 CE2 TYR A 13 0.509 -2.716 6.664 1.00 0.00 C ATOM 229 CZ TYR A 13 0.441 -3.520 7.807 1.00 0.00 C ATOM 230 OH TYR A 13 0.419 -2.938 9.058 1.00 0.00 O ATOM 0 H TYR A 13 2.601 -5.708 5.186 1.00 0.00 H new ATOM 0 HA TYR A 13 0.458 -7.471 4.274 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.996 -4.692 3.193 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.543 -5.450 3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.392 -6.577 6.319 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.576 -2.688 4.509 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.346 -5.531 8.567 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.547 -1.641 6.761 1.00 0.00 H new ATOM 0 HH TYR A 13 1.234 -2.409 9.187 1.00 0.00 H new ATOM 240 N ALA A 14 2.831 -6.457 2.243 1.00 0.00 N ATOM 241 CA ALA A 14 3.438 -6.722 0.916 1.00 0.00 C ATOM 242 C ALA A 14 3.942 -8.167 0.861 1.00 0.00 C ATOM 243 O ALA A 14 4.463 -8.606 -0.141 1.00 0.00 O ATOM 244 CB ALA A 14 4.629 -5.772 0.711 1.00 0.00 C ATOM 0 H ALA A 14 3.352 -5.809 2.834 1.00 0.00 H new ATOM 0 HA ALA A 14 2.692 -6.564 0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.081 -5.960 -0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.283 -4.739 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.369 -5.942 1.493 1.00 0.00 H new ATOM 250 N ASP A 15 3.810 -8.908 1.936 1.00 0.00 N ATOM 251 CA ASP A 15 4.303 -10.310 1.958 1.00 0.00 C ATOM 252 C ASP A 15 3.112 -11.254 1.864 1.00 0.00 C ATOM 253 O ASP A 15 3.251 -12.458 1.902 1.00 0.00 O ATOM 254 CB ASP A 15 5.049 -10.570 3.266 1.00 0.00 C ATOM 255 CG ASP A 15 5.915 -11.824 3.127 1.00 0.00 C ATOM 256 OD1 ASP A 15 5.475 -12.759 2.479 1.00 0.00 O ATOM 257 OD2 ASP A 15 7.006 -11.828 3.672 1.00 0.00 O ATOM 0 H ASP A 15 3.377 -8.593 2.804 1.00 0.00 H new ATOM 0 HA ASP A 15 4.977 -10.475 1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.673 -9.712 3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.338 -10.696 4.082 1.00 0.00 H new ATOM 262 N LYS A 16 1.936 -10.708 1.742 1.00 0.00 N ATOM 263 CA LYS A 16 0.724 -11.553 1.645 1.00 0.00 C ATOM 264 C LYS A 16 0.996 -12.717 0.697 1.00 0.00 C ATOM 265 O LYS A 16 0.404 -13.774 0.796 1.00 0.00 O ATOM 266 CB LYS A 16 -0.426 -10.689 1.121 1.00 0.00 C ATOM 267 CG LYS A 16 -0.345 -10.525 -0.405 1.00 0.00 C ATOM 268 CD LYS A 16 -0.314 -9.039 -0.762 1.00 0.00 C ATOM 269 CE LYS A 16 0.543 -8.835 -2.012 1.00 0.00 C ATOM 270 NZ LYS A 16 1.971 -9.091 -1.677 1.00 0.00 N ATOM 0 H LYS A 16 1.765 -9.703 1.705 1.00 0.00 H new ATOM 0 HA LYS A 16 0.457 -11.957 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.379 -11.144 1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.395 -9.709 1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.548 -11.019 -0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.202 -11.005 -0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.326 -8.675 -0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.092 -8.462 0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.217 -9.509 -2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.422 -7.819 -2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.453 -9.500 -2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.432 -8.196 -1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.027 -9.756 -0.879 1.00 0.00 H new ATOM 284 N GLU A 17 1.889 -12.518 -0.226 1.00 0.00 N ATOM 285 CA GLU A 17 2.216 -13.601 -1.204 1.00 0.00 C ATOM 286 C GLU A 17 3.585 -14.208 -0.879 1.00 0.00 C ATOM 287 O GLU A 17 4.404 -14.418 -1.751 1.00 0.00 O ATOM 288 CB GLU A 17 2.229 -13.030 -2.627 1.00 0.00 C ATOM 289 CG GLU A 17 3.376 -12.025 -2.775 1.00 0.00 C ATOM 290 CD GLU A 17 3.591 -11.708 -4.256 1.00 0.00 C ATOM 291 OE1 GLU A 17 3.149 -12.492 -5.082 1.00 0.00 O ATOM 292 OE2 GLU A 17 4.195 -10.686 -4.543 1.00 0.00 O ATOM 0 H GLU A 17 2.412 -11.651 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 17 1.456 -14.380 -1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.345 -13.837 -3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.278 -12.543 -2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.146 -11.112 -2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.290 -12.434 -2.344 1.00 0.00 H new ATOM 299 N GLY A 18 3.833 -14.505 0.366 1.00 0.00 N ATOM 300 CA GLY A 18 5.142 -15.109 0.744 1.00 0.00 C ATOM 301 C GLY A 18 6.294 -14.192 0.322 1.00 0.00 C ATOM 302 O GLY A 18 7.439 -14.599 0.298 1.00 0.00 O ATOM 0 H GLY A 18 3.185 -14.356 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.176 -15.275 1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.251 -16.084 0.268 1.00 0.00 H new ATOM 306 N ASP A 19 6.015 -12.959 -0.012 1.00 0.00 N ATOM 307 CA ASP A 19 7.133 -12.050 -0.430 1.00 0.00 C ATOM 308 C ASP A 19 7.306 -10.901 0.572 1.00 0.00 C ATOM 309 O ASP A 19 8.013 -11.025 1.553 1.00 0.00 O ATOM 310 CB ASP A 19 6.888 -11.479 -1.836 1.00 0.00 C ATOM 311 CG ASP A 19 8.201 -11.531 -2.623 1.00 0.00 C ATOM 312 OD1 ASP A 19 8.546 -12.605 -3.090 1.00 0.00 O ATOM 313 OD2 ASP A 19 8.839 -10.499 -2.743 1.00 0.00 O ATOM 0 H ASP A 19 5.083 -12.545 -0.015 1.00 0.00 H new ATOM 0 HA ASP A 19 8.047 -12.644 -0.450 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.117 -12.055 -2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.528 -10.452 -1.769 1.00 0.00 H new ATOM 318 N GLY A 20 6.697 -9.779 0.320 1.00 0.00 N ATOM 319 CA GLY A 20 6.855 -8.613 1.228 1.00 0.00 C ATOM 320 C GLY A 20 7.347 -7.448 0.371 1.00 0.00 C ATOM 321 O GLY A 20 7.298 -6.301 0.764 1.00 0.00 O ATOM 0 H GLY A 20 6.091 -9.619 -0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.908 -8.366 1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.567 -8.836 2.023 1.00 0.00 H new ATOM 325 N ASN A 21 7.839 -7.754 -0.809 1.00 0.00 N ATOM 326 CA ASN A 21 8.353 -6.703 -1.709 1.00 0.00 C ATOM 327 C ASN A 21 7.259 -6.190 -2.679 1.00 0.00 C ATOM 328 O ASN A 21 7.530 -5.393 -3.549 1.00 0.00 O ATOM 329 CB ASN A 21 9.519 -7.290 -2.503 1.00 0.00 C ATOM 330 CG ASN A 21 10.779 -7.292 -1.635 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.202 -6.261 -1.154 1.00 0.00 O ATOM 332 ND2 ASN A 21 11.401 -8.419 -1.415 1.00 0.00 N ATOM 0 H ASN A 21 7.901 -8.703 -1.179 1.00 0.00 H new ATOM 0 HA ASN A 21 8.677 -5.851 -1.112 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.282 -8.305 -2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.688 -6.705 -3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.243 -8.433 -0.839 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.045 -9.285 -1.819 1.00 0.00 H new ATOM 339 N GLN A 22 6.028 -6.622 -2.549 1.00 0.00 N ATOM 340 CA GLN A 22 4.955 -6.095 -3.470 1.00 0.00 C ATOM 341 C GLN A 22 3.629 -5.997 -2.706 1.00 0.00 C ATOM 342 O GLN A 22 3.388 -6.724 -1.770 1.00 0.00 O ATOM 343 CB GLN A 22 4.780 -6.981 -4.704 1.00 0.00 C ATOM 344 CG GLN A 22 6.083 -7.713 -5.018 1.00 0.00 C ATOM 345 CD GLN A 22 6.151 -8.989 -4.185 1.00 0.00 C ATOM 346 OE1 GLN A 22 5.791 -8.991 -3.026 1.00 0.00 O ATOM 347 NE2 GLN A 22 6.588 -10.086 -4.729 1.00 0.00 N ATOM 0 H GLN A 22 5.716 -7.305 -1.859 1.00 0.00 H new ATOM 0 HA GLN A 22 5.261 -5.107 -3.814 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.981 -7.703 -4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.481 -6.373 -5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.133 -7.954 -6.080 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.937 -7.073 -4.796 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.891 -10.087 -5.703 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.628 -10.946 -4.182 1.00 0.00 H new ATOM 356 N LEU A 23 2.789 -5.064 -3.080 1.00 0.00 N ATOM 357 CA LEU A 23 1.496 -4.862 -2.358 1.00 0.00 C ATOM 358 C LEU A 23 0.281 -5.119 -3.261 1.00 0.00 C ATOM 359 O LEU A 23 0.396 -5.590 -4.371 1.00 0.00 O ATOM 360 CB LEU A 23 1.459 -3.407 -1.895 1.00 0.00 C ATOM 361 CG LEU A 23 1.833 -3.347 -0.423 1.00 0.00 C ATOM 362 CD1 LEU A 23 1.978 -1.888 0.016 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.744 -4.029 0.409 1.00 0.00 C ATOM 0 H LEU A 23 2.946 -4.428 -3.862 1.00 0.00 H new ATOM 0 HA LEU A 23 1.442 -5.565 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.152 -2.807 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.464 -2.988 -2.048 1.00 0.00 H new ATOM 0 HG LEU A 23 2.782 -3.862 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.246 -1.851 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.758 -1.406 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.033 -1.366 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.012 -3.986 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.206 -3.517 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.649 -5.070 0.101 1.00 0.00 H new ATOM 375 N SER A 24 -0.892 -4.799 -2.770 1.00 0.00 N ATOM 376 CA SER A 24 -2.124 -4.972 -3.527 1.00 0.00 C ATOM 377 C SER A 24 -3.135 -3.992 -2.929 1.00 0.00 C ATOM 378 O SER A 24 -2.820 -3.253 -2.016 1.00 0.00 O ATOM 379 CB SER A 24 -2.611 -6.405 -3.362 1.00 0.00 C ATOM 380 OG SER A 24 -1.529 -7.218 -2.930 1.00 0.00 O ATOM 0 H SER A 24 -1.027 -4.411 -1.836 1.00 0.00 H new ATOM 0 HA SER A 24 -1.983 -4.782 -4.591 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.424 -6.445 -2.637 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.008 -6.778 -4.306 1.00 0.00 H new ATOM 0 HG SER A 24 -1.224 -7.778 -3.674 1.00 0.00 H new ATOM 386 N LYS A 25 -4.332 -3.964 -3.416 1.00 0.00 N ATOM 387 CA LYS A 25 -5.331 -3.018 -2.849 1.00 0.00 C ATOM 388 C LYS A 25 -5.859 -3.566 -1.522 1.00 0.00 C ATOM 389 O LYS A 25 -6.266 -2.822 -0.651 1.00 0.00 O ATOM 390 CB LYS A 25 -6.490 -2.845 -3.825 1.00 0.00 C ATOM 391 CG LYS A 25 -7.063 -1.432 -3.684 1.00 0.00 C ATOM 392 CD LYS A 25 -7.949 -1.110 -4.890 1.00 0.00 C ATOM 393 CE LYS A 25 -8.888 -2.286 -5.163 1.00 0.00 C ATOM 394 NZ LYS A 25 -9.810 -1.934 -6.280 1.00 0.00 N ATOM 0 H LYS A 25 -4.668 -4.551 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.855 -2.052 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.148 -3.011 -4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.264 -3.586 -3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.643 -1.355 -2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.253 -0.706 -3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.527 -0.206 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.331 -0.913 -5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.311 -3.175 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.460 -2.525 -4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.449 -2.733 -6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.369 -1.097 -6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.256 -1.726 -7.135 1.00 0.00 H new ATOM 408 N GLU A 26 -5.856 -4.862 -1.356 1.00 0.00 N ATOM 409 CA GLU A 26 -6.357 -5.449 -0.083 1.00 0.00 C ATOM 410 C GLU A 26 -5.261 -5.385 0.978 1.00 0.00 C ATOM 411 O GLU A 26 -5.479 -5.722 2.124 1.00 0.00 O ATOM 412 CB GLU A 26 -6.759 -6.907 -0.311 1.00 0.00 C ATOM 413 CG GLU A 26 -8.285 -7.015 -0.357 1.00 0.00 C ATOM 414 CD GLU A 26 -8.693 -8.041 -1.415 1.00 0.00 C ATOM 415 OE1 GLU A 26 -8.807 -9.205 -1.068 1.00 0.00 O ATOM 416 OE2 GLU A 26 -8.883 -7.646 -2.552 1.00 0.00 O ATOM 0 H GLU A 26 -5.528 -5.537 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.224 -4.882 0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.330 -7.272 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.363 -7.534 0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.669 -7.312 0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.722 -6.044 -0.590 1.00 0.00 H new ATOM 423 N GLU A 27 -4.081 -4.969 0.609 1.00 0.00 N ATOM 424 CA GLU A 27 -2.978 -4.904 1.608 1.00 0.00 C ATOM 425 C GLU A 27 -2.478 -3.464 1.763 1.00 0.00 C ATOM 426 O GLU A 27 -1.660 -3.174 2.613 1.00 0.00 O ATOM 427 CB GLU A 27 -1.831 -5.805 1.154 1.00 0.00 C ATOM 428 CG GLU A 27 -2.211 -7.266 1.400 1.00 0.00 C ATOM 429 CD GLU A 27 -2.041 -7.592 2.885 1.00 0.00 C ATOM 430 OE1 GLU A 27 -2.822 -7.089 3.675 1.00 0.00 O ATOM 431 OE2 GLU A 27 -1.133 -8.341 3.206 1.00 0.00 O ATOM 0 H GLU A 27 -3.834 -4.673 -0.335 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.353 -5.245 2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.623 -5.644 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.920 -5.557 1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.242 -7.442 1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.583 -7.923 0.798 1.00 0.00 H new ATOM 438 N LEU A 28 -2.979 -2.556 0.973 1.00 0.00 N ATOM 439 CA LEU A 28 -2.558 -1.143 1.099 1.00 0.00 C ATOM 440 C LEU A 28 -3.471 -0.527 2.154 1.00 0.00 C ATOM 441 O LEU A 28 -3.076 0.277 2.975 1.00 0.00 O ATOM 442 CB LEU A 28 -2.725 -0.479 -0.275 1.00 0.00 C ATOM 443 CG LEU A 28 -3.413 0.879 -0.151 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.494 1.854 0.585 1.00 0.00 C ATOM 445 CD2 LEU A 28 -3.726 1.424 -1.546 1.00 0.00 C ATOM 0 H LEU A 28 -3.667 -2.739 0.242 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.518 -1.019 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.748 -0.354 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.310 -1.128 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.341 0.764 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.986 2.822 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.275 1.467 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.564 1.969 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.217 2.393 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.799 1.537 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.385 0.730 -2.068 1.00 0.00 H new ATOM 457 N LYS A 29 -4.687 -0.966 2.137 1.00 0.00 N ATOM 458 CA LYS A 29 -5.692 -0.544 3.088 1.00 0.00 C ATOM 459 C LYS A 29 -5.215 -0.893 4.499 1.00 0.00 C ATOM 460 O LYS A 29 -5.240 -0.077 5.399 1.00 0.00 O ATOM 461 CB LYS A 29 -6.907 -1.360 2.752 1.00 0.00 C ATOM 462 CG LYS A 29 -7.935 -1.053 3.789 1.00 0.00 C ATOM 463 CD LYS A 29 -9.314 -1.399 3.253 1.00 0.00 C ATOM 464 CE LYS A 29 -10.163 -2.043 4.372 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.487 -2.439 3.815 1.00 0.00 N ATOM 0 H LYS A 29 -5.027 -1.641 1.453 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.891 0.527 3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.276 -1.112 1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.669 -2.424 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.733 -1.622 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.892 0.002 4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.806 -0.500 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.225 -2.085 2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.650 -2.915 4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.296 -1.340 5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.063 -2.873 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.975 -1.597 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.349 -3.123 3.044 1.00 0.00 H new ATOM 479 N LEU A 30 -4.782 -2.114 4.690 1.00 0.00 N ATOM 480 CA LEU A 30 -4.301 -2.545 6.034 1.00 0.00 C ATOM 481 C LEU A 30 -3.334 -1.505 6.591 1.00 0.00 C ATOM 482 O LEU A 30 -3.198 -1.360 7.774 1.00 0.00 O ATOM 483 CB LEU A 30 -3.580 -3.892 5.923 1.00 0.00 C ATOM 484 CG LEU A 30 -4.602 -5.031 5.923 1.00 0.00 C ATOM 485 CD1 LEU A 30 -5.360 -5.043 7.251 1.00 0.00 C ATOM 486 CD2 LEU A 30 -5.592 -4.824 4.775 1.00 0.00 C ATOM 0 H LEU A 30 -4.742 -2.833 3.968 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.158 -2.645 6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.988 -3.923 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.887 -4.013 6.756 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.084 -5.981 5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.087 -5.855 7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.656 -5.189 8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.878 -4.093 7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.321 -5.634 4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.107 -3.872 4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.054 -4.818 3.827 1.00 0.00 H new ATOM 498 N LEU A 31 -2.661 -0.780 5.754 1.00 0.00 N ATOM 499 CA LEU A 31 -1.718 0.259 6.266 1.00 0.00 C ATOM 500 C LEU A 31 -2.527 1.422 6.804 1.00 0.00 C ATOM 501 O LEU A 31 -2.458 1.793 7.958 1.00 0.00 O ATOM 502 CB LEU A 31 -0.879 0.786 5.111 1.00 0.00 C ATOM 503 CG LEU A 31 0.080 1.889 5.598 1.00 0.00 C ATOM 504 CD1 LEU A 31 -0.649 3.237 5.624 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.587 1.563 7.008 1.00 0.00 C ATOM 0 H LEU A 31 -2.717 -0.856 4.738 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.083 -0.174 7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.308 -0.030 4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.530 1.181 4.331 1.00 0.00 H new ATOM 0 HG LEU A 31 0.927 1.943 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.034 4.013 5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.999 3.481 4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.501 3.177 6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.264 2.349 7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.259 1.497 7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.117 0.610 6.993 1.00 0.00 H new ATOM 517 N LEU A 32 -3.293 1.988 5.936 1.00 0.00 N ATOM 518 CA LEU A 32 -4.154 3.143 6.289 1.00 0.00 C ATOM 519 C LEU A 32 -4.745 2.935 7.664 1.00 0.00 C ATOM 520 O LEU A 32 -4.643 3.768 8.528 1.00 0.00 O ATOM 521 CB LEU A 32 -5.290 3.216 5.306 1.00 0.00 C ATOM 522 CG LEU A 32 -4.802 2.866 3.915 1.00 0.00 C ATOM 523 CD1 LEU A 32 -5.787 3.441 2.944 1.00 0.00 C ATOM 524 CD2 LEU A 32 -3.413 3.467 3.663 1.00 0.00 C ATOM 0 H LEU A 32 -3.365 1.692 4.962 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.559 4.056 6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.083 2.530 5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.718 4.218 5.308 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.722 1.785 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.472 3.211 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.771 3.009 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.836 4.522 3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.080 3.205 2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.463 4.552 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.708 3.072 4.394 1.00 0.00 H new ATOM 536 N GLN A 33 -5.395 1.826 7.828 1.00 0.00 N ATOM 537 CA GLN A 33 -6.062 1.503 9.153 1.00 0.00 C ATOM 538 C GLN A 33 -5.067 0.958 10.174 1.00 0.00 C ATOM 539 O GLN A 33 -5.007 1.425 11.294 1.00 0.00 O ATOM 540 CB GLN A 33 -7.147 0.431 8.959 1.00 0.00 C ATOM 541 CG GLN A 33 -8.095 0.805 7.822 1.00 0.00 C ATOM 542 CD GLN A 33 -9.448 0.124 8.041 1.00 0.00 C ATOM 543 OE1 GLN A 33 -10.456 0.785 8.186 1.00 0.00 O ATOM 544 NE2 GLN A 33 -9.511 -1.179 8.072 1.00 0.00 N ATOM 0 H GLN A 33 -5.505 1.112 7.108 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.490 2.436 9.519 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.679 -0.530 8.745 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.713 0.311 9.883 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.223 1.887 7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.672 0.498 6.866 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.664 -1.734 7.950 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.408 -1.643 8.218 1.00 0.00 H new ATOM 553 N THR A 34 -4.325 -0.051 9.829 1.00 0.00 N ATOM 554 CA THR A 34 -3.379 -0.636 10.838 1.00 0.00 C ATOM 555 C THR A 34 -2.653 0.491 11.553 1.00 0.00 C ATOM 556 O THR A 34 -2.216 0.351 12.678 1.00 0.00 O ATOM 557 CB THR A 34 -2.354 -1.572 10.188 1.00 0.00 C ATOM 558 OG1 THR A 34 -1.676 -2.296 11.208 1.00 0.00 O ATOM 559 CG2 THR A 34 -1.333 -0.761 9.388 1.00 0.00 C ATOM 0 H THR A 34 -4.324 -0.496 8.911 1.00 0.00 H new ATOM 0 HA THR A 34 -3.963 -1.225 11.545 1.00 0.00 H new ATOM 0 HB THR A 34 -2.870 -2.258 9.517 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.858 -2.690 10.840 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.610 -1.436 8.931 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.846 -0.197 8.609 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.815 -0.071 10.054 1.00 0.00 H new ATOM 567 N GLU A 35 -2.529 1.612 10.911 1.00 0.00 N ATOM 568 CA GLU A 35 -1.843 2.756 11.554 1.00 0.00 C ATOM 569 C GLU A 35 -2.828 3.913 11.727 1.00 0.00 C ATOM 570 O GLU A 35 -2.666 4.747 12.596 1.00 0.00 O ATOM 571 CB GLU A 35 -0.678 3.205 10.673 1.00 0.00 C ATOM 572 CG GLU A 35 0.356 2.081 10.587 1.00 0.00 C ATOM 573 CD GLU A 35 1.702 2.657 10.147 1.00 0.00 C ATOM 574 OE1 GLU A 35 1.941 3.823 10.417 1.00 0.00 O ATOM 575 OE2 GLU A 35 2.470 1.924 9.546 1.00 0.00 O ATOM 0 H GLU A 35 -2.874 1.785 9.967 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.467 2.453 12.531 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.038 3.460 9.676 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.221 4.104 11.086 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.457 1.591 11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.025 1.321 9.879 1.00 0.00 H new ATOM 582 N PHE A 36 -3.846 3.985 10.904 1.00 0.00 N ATOM 583 CA PHE A 36 -4.807 5.103 11.029 1.00 0.00 C ATOM 584 C PHE A 36 -6.147 4.748 10.378 1.00 0.00 C ATOM 585 O PHE A 36 -6.345 5.112 9.242 1.00 0.00 O ATOM 586 CB PHE A 36 -4.250 6.335 10.300 1.00 0.00 C ATOM 587 CG PHE A 36 -2.767 6.184 10.035 1.00 0.00 C ATOM 588 CD1 PHE A 36 -1.829 6.559 11.003 1.00 0.00 C ATOM 589 CD2 PHE A 36 -2.335 5.668 8.805 1.00 0.00 C ATOM 590 CE1 PHE A 36 -0.459 6.418 10.742 1.00 0.00 C ATOM 591 CE2 PHE A 36 -0.968 5.527 8.544 1.00 0.00 C ATOM 592 CZ PHE A 36 -0.029 5.901 9.510 1.00 0.00 C ATOM 0 H PHE A 36 -4.045 3.318 10.158 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.955 5.303 12.090 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.779 6.474 9.357 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.427 7.228 10.900 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.160 6.957 11.951 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.059 5.379 8.058 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.266 6.707 11.489 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.638 5.129 7.596 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.026 5.792 9.308 1.00 0.00 H new ATOM 602 N PRO A 37 -7.047 4.114 11.140 1.00 0.00 N ATOM 603 CA PRO A 37 -8.400 3.753 10.718 1.00 0.00 C ATOM 604 C PRO A 37 -8.754 4.564 9.526 1.00 0.00 C ATOM 605 O PRO A 37 -9.427 5.575 9.535 1.00 0.00 O ATOM 606 CB PRO A 37 -9.221 3.997 11.961 1.00 0.00 C ATOM 607 CG PRO A 37 -8.221 3.753 13.115 1.00 0.00 C ATOM 608 CD PRO A 37 -6.807 3.735 12.493 1.00 0.00 C ATOM 0 HA PRO A 37 -8.554 2.726 10.386 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.620 5.011 11.985 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.072 3.318 12.018 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.301 4.538 13.867 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.434 2.809 13.616 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.137 4.433 12.995 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.349 2.748 12.561 1.00 0.00 H new ATOM 616 N SER A 38 -8.139 4.098 8.526 1.00 0.00 N ATOM 617 CA SER A 38 -8.157 4.723 7.190 1.00 0.00 C ATOM 618 C SER A 38 -9.428 5.494 6.972 1.00 0.00 C ATOM 619 O SER A 38 -10.533 5.015 7.130 1.00 0.00 O ATOM 620 CB SER A 38 -8.046 3.638 6.131 1.00 0.00 C ATOM 621 OG SER A 38 -9.351 3.205 5.771 1.00 0.00 O ATOM 0 H SER A 38 -7.579 3.247 8.568 1.00 0.00 H new ATOM 0 HA SER A 38 -7.316 5.413 7.119 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.521 4.020 5.255 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.463 2.799 6.511 1.00 0.00 H new ATOM 0 HG SER A 38 -9.994 3.508 6.445 1.00 0.00 H new ATOM 627 N LEU A 39 -9.229 6.714 6.603 1.00 0.00 N ATOM 628 CA LEU A 39 -10.344 7.628 6.345 1.00 0.00 C ATOM 629 C LEU A 39 -10.876 7.342 4.940 1.00 0.00 C ATOM 630 O LEU A 39 -11.770 8.008 4.454 1.00 0.00 O ATOM 631 CB LEU A 39 -9.826 9.069 6.477 1.00 0.00 C ATOM 632 CG LEU A 39 -8.849 9.196 7.680 1.00 0.00 C ATOM 633 CD1 LEU A 39 -9.178 8.169 8.779 1.00 0.00 C ATOM 634 CD2 LEU A 39 -7.405 8.963 7.213 1.00 0.00 C ATOM 0 H LEU A 39 -8.306 7.125 6.466 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.158 7.491 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.319 9.364 5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.665 9.751 6.611 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.959 10.201 8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.477 8.284 9.606 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.194 8.334 9.139 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.096 7.161 8.372 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.729 9.054 8.063 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.318 7.964 6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.142 9.705 6.459 1.00 0.00 H new ATOM 646 N LEU A 40 -10.349 6.318 4.295 1.00 0.00 N ATOM 647 CA LEU A 40 -10.840 5.947 2.941 1.00 0.00 C ATOM 648 C LEU A 40 -12.362 6.009 2.970 1.00 0.00 C ATOM 649 O LEU A 40 -13.016 6.263 1.978 1.00 0.00 O ATOM 650 CB LEU A 40 -10.409 4.505 2.609 1.00 0.00 C ATOM 651 CG LEU A 40 -8.908 4.278 2.891 1.00 0.00 C ATOM 652 CD1 LEU A 40 -8.368 3.245 1.900 1.00 0.00 C ATOM 653 CD2 LEU A 40 -8.131 5.587 2.714 1.00 0.00 C ATOM 0 H LEU A 40 -9.599 5.729 4.658 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.431 6.625 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.000 3.804 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.618 4.295 1.560 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.787 3.925 3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.308 3.077 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.911 2.307 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.500 3.613 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.074 5.413 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.251 5.946 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.515 6.335 3.408 1.00 0.00 H new ATOM 767 N GLU A 48 -8.275 3.785 -5.283 1.00 0.00 N ATOM 768 CA GLU A 48 -8.041 4.111 -6.708 1.00 0.00 C ATOM 769 C GLU A 48 -6.630 4.643 -6.848 1.00 0.00 C ATOM 770 O GLU A 48 -6.015 4.592 -7.895 1.00 0.00 O ATOM 771 CB GLU A 48 -9.006 5.206 -7.101 1.00 0.00 C ATOM 772 CG GLU A 48 -8.741 6.446 -6.246 1.00 0.00 C ATOM 773 CD GLU A 48 -9.676 7.578 -6.678 1.00 0.00 C ATOM 774 OE1 GLU A 48 -10.861 7.321 -6.813 1.00 0.00 O ATOM 775 OE2 GLU A 48 -9.191 8.681 -6.865 1.00 0.00 O ATOM 0 HA GLU A 48 -8.180 3.231 -7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.889 5.447 -8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.033 4.868 -6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.897 6.214 -5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.702 6.758 -6.353 1.00 0.00 H new ATOM 782 N LEU A 49 -6.119 5.134 -5.770 1.00 0.00 N ATOM 783 CA LEU A 49 -4.733 5.669 -5.763 1.00 0.00 C ATOM 784 C LEU A 49 -3.813 4.503 -6.062 1.00 0.00 C ATOM 785 O LEU A 49 -2.733 4.641 -6.599 1.00 0.00 O ATOM 786 CB LEU A 49 -4.428 6.214 -4.371 1.00 0.00 C ATOM 787 CG LEU A 49 -3.201 7.127 -4.423 1.00 0.00 C ATOM 788 CD1 LEU A 49 -3.315 8.195 -3.335 1.00 0.00 C ATOM 789 CD2 LEU A 49 -1.939 6.296 -4.180 1.00 0.00 C ATOM 0 H LEU A 49 -6.605 5.191 -4.875 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.603 6.466 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.287 6.767 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.249 5.390 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.145 7.604 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.441 8.846 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.216 8.787 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.369 7.715 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.064 6.945 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.999 5.822 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.855 5.529 -4.950 1.00 0.00 H new ATOM 801 N PHE A 50 -4.274 3.351 -5.704 1.00 0.00 N ATOM 802 CA PHE A 50 -3.509 2.108 -5.925 1.00 0.00 C ATOM 803 C PHE A 50 -3.685 1.652 -7.375 1.00 0.00 C ATOM 804 O PHE A 50 -2.840 0.981 -7.935 1.00 0.00 O ATOM 805 CB PHE A 50 -4.069 1.057 -4.980 1.00 0.00 C ATOM 806 CG PHE A 50 -3.174 -0.156 -4.980 1.00 0.00 C ATOM 807 CD1 PHE A 50 -1.961 -0.132 -4.279 1.00 0.00 C ATOM 808 CD2 PHE A 50 -3.553 -1.306 -5.683 1.00 0.00 C ATOM 809 CE1 PHE A 50 -1.130 -1.259 -4.282 1.00 0.00 C ATOM 810 CE2 PHE A 50 -2.722 -2.432 -5.686 1.00 0.00 C ATOM 811 CZ PHE A 50 -1.511 -2.408 -4.985 1.00 0.00 C ATOM 0 H PHE A 50 -5.179 3.215 -5.253 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.447 2.264 -5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.145 1.464 -3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.077 0.777 -5.288 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.667 0.755 -3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.488 -1.324 -6.224 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.195 -1.242 -3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.015 -3.319 -6.229 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.870 -3.277 -4.986 1.00 0.00 H new ATOM 821 N GLU A 51 -4.781 2.011 -7.984 1.00 0.00 N ATOM 822 CA GLU A 51 -5.023 1.600 -9.395 1.00 0.00 C ATOM 823 C GLU A 51 -4.245 2.519 -10.341 1.00 0.00 C ATOM 824 O GLU A 51 -3.982 2.177 -11.476 1.00 0.00 O ATOM 825 CB GLU A 51 -6.519 1.704 -9.696 1.00 0.00 C ATOM 826 CG GLU A 51 -6.831 0.984 -11.009 1.00 0.00 C ATOM 827 CD GLU A 51 -8.347 0.898 -11.191 1.00 0.00 C ATOM 828 OE1 GLU A 51 -9.051 0.998 -10.200 1.00 0.00 O ATOM 829 OE2 GLU A 51 -8.779 0.731 -12.321 1.00 0.00 O ATOM 0 H GLU A 51 -5.521 2.573 -7.564 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.688 0.573 -9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.095 1.263 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.814 2.751 -9.765 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.383 1.519 -11.846 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.397 -0.016 -11.001 1.00 0.00 H new ATOM 836 N GLU A 52 -3.876 3.686 -9.886 1.00 0.00 N ATOM 837 CA GLU A 52 -3.119 4.622 -10.765 1.00 0.00 C ATOM 838 C GLU A 52 -1.733 4.045 -11.058 1.00 0.00 C ATOM 839 O GLU A 52 -1.256 4.088 -12.175 1.00 0.00 O ATOM 840 CB GLU A 52 -2.967 5.975 -10.063 1.00 0.00 C ATOM 841 CG GLU A 52 -2.460 7.016 -11.065 1.00 0.00 C ATOM 842 CD GLU A 52 -3.651 7.738 -11.697 1.00 0.00 C ATOM 843 OE1 GLU A 52 -4.506 8.191 -10.953 1.00 0.00 O ATOM 844 OE2 GLU A 52 -3.688 7.826 -12.913 1.00 0.00 O ATOM 0 H GLU A 52 -4.066 4.031 -8.945 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.662 4.755 -11.700 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.924 6.291 -9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.270 5.888 -9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.811 7.733 -10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.863 6.532 -11.838 1.00 0.00 H new ATOM 851 N LEU A 53 -1.080 3.510 -10.065 1.00 0.00 N ATOM 852 CA LEU A 53 0.278 2.939 -10.287 1.00 0.00 C ATOM 853 C LEU A 53 0.156 1.549 -10.917 1.00 0.00 C ATOM 854 O LEU A 53 0.963 1.158 -11.737 1.00 0.00 O ATOM 855 CB LEU A 53 1.010 2.830 -8.948 1.00 0.00 C ATOM 856 CG LEU A 53 1.014 4.195 -8.261 1.00 0.00 C ATOM 857 CD1 LEU A 53 1.410 4.027 -6.793 1.00 0.00 C ATOM 858 CD2 LEU A 53 2.020 5.112 -8.960 1.00 0.00 C ATOM 0 H LEU A 53 -1.428 3.443 -9.108 1.00 0.00 H new ATOM 0 HA LEU A 53 0.839 3.591 -10.957 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.521 2.092 -8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.032 2.487 -9.106 1.00 0.00 H new ATOM 0 HG LEU A 53 0.018 4.635 -8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.413 5.001 -6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.694 3.373 -6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.406 3.588 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.025 6.086 -8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.015 4.672 -8.901 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.738 5.232 -10.006 1.00 0.00 H new ATOM 870 N ASP A 54 -0.844 0.800 -10.542 1.00 0.00 N ATOM 871 CA ASP A 54 -1.010 -0.560 -11.124 1.00 0.00 C ATOM 872 C ASP A 54 -1.756 -0.454 -12.455 1.00 0.00 C ATOM 873 O ASP A 54 -2.012 0.627 -12.947 1.00 0.00 O ATOM 874 CB ASP A 54 -1.810 -1.433 -10.159 1.00 0.00 C ATOM 875 CG ASP A 54 -1.397 -2.894 -10.335 1.00 0.00 C ATOM 876 OD1 ASP A 54 -0.460 -3.139 -11.077 1.00 0.00 O ATOM 877 OD2 ASP A 54 -2.024 -3.745 -9.724 1.00 0.00 O ATOM 0 H ASP A 54 -1.552 1.071 -9.859 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.030 -1.008 -11.290 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.633 -1.115 -9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.877 -1.320 -10.349 1.00 0.00 H new ATOM 882 N LYS A 55 -2.109 -1.567 -13.041 1.00 0.00 N ATOM 883 CA LYS A 55 -2.839 -1.521 -14.340 1.00 0.00 C ATOM 884 C LYS A 55 -3.151 -2.945 -14.813 1.00 0.00 C ATOM 885 O LYS A 55 -4.190 -3.201 -15.389 1.00 0.00 O ATOM 886 CB LYS A 55 -1.975 -0.812 -15.386 1.00 0.00 C ATOM 887 CG LYS A 55 -0.552 -1.373 -15.348 1.00 0.00 C ATOM 888 CD LYS A 55 -0.160 -1.859 -16.745 1.00 0.00 C ATOM 889 CE LYS A 55 0.639 -0.748 -17.472 1.00 0.00 C ATOM 890 NZ LYS A 55 2.064 -1.168 -17.581 1.00 0.00 N ATOM 0 H LYS A 55 -1.924 -2.502 -12.678 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.773 -0.975 -14.208 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.404 -0.949 -16.379 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.958 0.260 -15.191 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.144 -0.606 -15.009 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.492 -2.195 -14.635 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.441 -2.765 -16.671 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.052 -2.114 -17.317 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.222 -0.571 -18.463 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.564 0.191 -16.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.608 -0.427 -18.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.456 -1.316 -16.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.124 -2.054 -18.122 1.00 0.00 H new ATOM 904 N ASN A 56 -2.262 -3.873 -14.578 1.00 0.00 N ATOM 905 CA ASN A 56 -2.511 -5.276 -15.014 1.00 0.00 C ATOM 906 C ASN A 56 -1.817 -6.243 -14.053 1.00 0.00 C ATOM 907 O ASN A 56 -1.744 -7.429 -14.299 1.00 0.00 O ATOM 908 CB ASN A 56 -1.966 -5.486 -16.428 1.00 0.00 C ATOM 909 CG ASN A 56 -2.331 -6.892 -16.923 1.00 0.00 C ATOM 910 OD1 ASN A 56 -1.857 -7.321 -17.956 1.00 0.00 O ATOM 911 ND2 ASN A 56 -3.155 -7.635 -16.228 1.00 0.00 N ATOM 0 H ASN A 56 -1.373 -3.719 -14.102 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.584 -5.465 -15.010 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.378 -4.735 -17.102 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.883 -5.359 -16.433 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.397 -8.571 -16.554 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.555 -7.278 -15.360 1.00 0.00 H new ATOM 918 N GLY A 57 -1.321 -5.754 -12.950 1.00 0.00 N ATOM 919 CA GLY A 57 -0.659 -6.663 -11.981 1.00 0.00 C ATOM 920 C GLY A 57 -1.716 -7.587 -11.385 1.00 0.00 C ATOM 921 O GLY A 57 -1.409 -8.515 -10.664 1.00 0.00 O ATOM 0 H GLY A 57 -1.346 -4.770 -12.681 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.117 -7.246 -12.477 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.171 -6.088 -11.194 1.00 0.00 H new ATOM 925 N ASP A 58 -2.966 -7.309 -11.660 1.00 0.00 N ATOM 926 CA ASP A 58 -4.067 -8.121 -11.105 1.00 0.00 C ATOM 927 C ASP A 58 -4.358 -7.563 -9.718 1.00 0.00 C ATOM 928 O ASP A 58 -4.914 -8.219 -8.859 1.00 0.00 O ATOM 929 CB ASP A 58 -3.663 -9.609 -11.081 1.00 0.00 C ATOM 930 CG ASP A 58 -3.406 -10.107 -9.652 1.00 0.00 C ATOM 931 OD1 ASP A 58 -2.684 -9.436 -8.931 1.00 0.00 O ATOM 932 OD2 ASP A 58 -3.936 -11.150 -9.306 1.00 0.00 O ATOM 0 H ASP A 58 -3.265 -6.538 -12.257 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.970 -8.067 -11.713 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.451 -10.207 -11.538 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.765 -9.752 -11.683 1.00 0.00 H new ATOM 937 N GLY A 59 -3.984 -6.328 -9.511 1.00 0.00 N ATOM 938 CA GLY A 59 -4.229 -5.691 -8.199 1.00 0.00 C ATOM 939 C GLY A 59 -2.951 -5.705 -7.351 1.00 0.00 C ATOM 940 O GLY A 59 -3.003 -5.602 -6.143 1.00 0.00 O ATOM 0 H GLY A 59 -3.519 -5.737 -10.200 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.566 -4.665 -8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.027 -6.218 -7.675 1.00 0.00 H new ATOM 944 N GLU A 60 -1.804 -5.826 -7.967 1.00 0.00 N ATOM 945 CA GLU A 60 -0.536 -5.834 -7.184 1.00 0.00 C ATOM 946 C GLU A 60 0.352 -4.690 -7.655 1.00 0.00 C ATOM 947 O GLU A 60 0.336 -4.306 -8.807 1.00 0.00 O ATOM 948 CB GLU A 60 0.196 -7.156 -7.391 1.00 0.00 C ATOM 949 CG GLU A 60 1.615 -7.050 -6.830 1.00 0.00 C ATOM 950 CD GLU A 60 2.186 -8.453 -6.614 1.00 0.00 C ATOM 951 OE1 GLU A 60 1.417 -9.400 -6.679 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.379 -8.557 -6.386 1.00 0.00 O ATOM 0 H GLU A 60 -1.692 -5.919 -8.977 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.767 -5.714 -6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.343 -7.963 -6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.231 -7.402 -8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.248 -6.490 -7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.605 -6.501 -5.888 1.00 0.00 H new ATOM 959 N VAL A 61 1.134 -4.156 -6.770 1.00 0.00 N ATOM 960 CA VAL A 61 2.039 -3.045 -7.147 1.00 0.00 C ATOM 961 C VAL A 61 3.466 -3.438 -6.763 1.00 0.00 C ATOM 962 O VAL A 61 3.781 -4.606 -6.640 1.00 0.00 O ATOM 963 CB VAL A 61 1.597 -1.766 -6.417 1.00 0.00 C ATOM 964 CG1 VAL A 61 2.220 -1.698 -5.019 1.00 0.00 C ATOM 965 CG2 VAL A 61 2.025 -0.544 -7.232 1.00 0.00 C ATOM 0 H VAL A 61 1.186 -4.443 -5.793 1.00 0.00 H new ATOM 0 HA VAL A 61 2.001 -2.854 -8.219 1.00 0.00 H new ATOM 0 HB VAL A 61 0.512 -1.779 -6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.894 -0.785 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.903 -2.563 -4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.307 -1.697 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.713 0.364 -6.717 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.109 -0.543 -7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.558 -0.581 -8.216 1.00 0.00 H new ATOM 975 N SER A 62 4.330 -2.489 -6.571 1.00 0.00 N ATOM 976 CA SER A 62 5.724 -2.833 -6.195 1.00 0.00 C ATOM 977 C SER A 62 6.320 -1.660 -5.400 1.00 0.00 C ATOM 978 O SER A 62 5.701 -0.625 -5.251 1.00 0.00 O ATOM 979 CB SER A 62 6.531 -3.109 -7.472 1.00 0.00 C ATOM 980 OG SER A 62 6.535 -1.947 -8.296 1.00 0.00 O ATOM 0 H SER A 62 4.133 -1.492 -6.658 1.00 0.00 H new ATOM 0 HA SER A 62 5.753 -3.727 -5.572 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.553 -3.388 -7.215 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.097 -3.950 -8.014 1.00 0.00 H new ATOM 0 HG SER A 62 7.052 -2.125 -9.109 1.00 0.00 H new ATOM 986 N PHE A 63 7.504 -1.817 -4.876 1.00 0.00 N ATOM 987 CA PHE A 63 8.128 -0.725 -4.073 1.00 0.00 C ATOM 988 C PHE A 63 8.474 0.452 -4.984 1.00 0.00 C ATOM 989 O PHE A 63 8.471 1.594 -4.570 1.00 0.00 O ATOM 990 CB PHE A 63 9.409 -1.267 -3.438 1.00 0.00 C ATOM 991 CG PHE A 63 9.768 -0.516 -2.167 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.844 -0.404 -1.119 1.00 0.00 C ATOM 993 CD2 PHE A 63 11.047 0.039 -2.025 1.00 0.00 C ATOM 994 CE1 PHE A 63 9.195 0.257 0.065 1.00 0.00 C ATOM 995 CE2 PHE A 63 11.397 0.706 -0.841 1.00 0.00 C ATOM 996 CZ PHE A 63 10.470 0.812 0.206 1.00 0.00 C ATOM 0 H PHE A 63 8.071 -2.660 -4.970 1.00 0.00 H new ATOM 0 HA PHE A 63 7.436 -0.386 -3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.283 -2.326 -3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.230 -1.189 -4.151 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.857 -0.829 -1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.764 -0.047 -2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.480 0.338 0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.381 1.138 -0.736 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.741 1.321 1.119 1.00 0.00 H new ATOM 1006 N GLU A 64 8.779 0.179 -6.221 1.00 0.00 N ATOM 1007 CA GLU A 64 9.134 1.280 -7.164 1.00 0.00 C ATOM 1008 C GLU A 64 7.986 2.290 -7.229 1.00 0.00 C ATOM 1009 O GLU A 64 8.200 3.479 -7.357 1.00 0.00 O ATOM 1010 CB GLU A 64 9.390 0.701 -8.557 1.00 0.00 C ATOM 1011 CG GLU A 64 10.799 0.108 -8.611 1.00 0.00 C ATOM 1012 CD GLU A 64 10.718 -1.419 -8.576 1.00 0.00 C ATOM 1013 OE1 GLU A 64 9.929 -1.936 -7.802 1.00 0.00 O ATOM 1014 OE2 GLU A 64 11.449 -2.049 -9.324 1.00 0.00 O ATOM 0 H GLU A 64 8.798 -0.759 -6.622 1.00 0.00 H new ATOM 0 HA GLU A 64 10.035 1.781 -6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.651 -0.068 -8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.282 1.480 -9.312 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.307 0.434 -9.519 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.389 0.470 -7.769 1.00 0.00 H new ATOM 1021 N GLU A 65 6.770 1.825 -7.131 1.00 0.00 N ATOM 1022 CA GLU A 65 5.603 2.755 -7.172 1.00 0.00 C ATOM 1023 C GLU A 65 5.091 2.965 -5.743 1.00 0.00 C ATOM 1024 O GLU A 65 4.185 3.736 -5.498 1.00 0.00 O ATOM 1025 CB GLU A 65 4.492 2.148 -8.035 1.00 0.00 C ATOM 1026 CG GLU A 65 5.111 1.275 -9.127 1.00 0.00 C ATOM 1027 CD GLU A 65 4.413 1.553 -10.459 1.00 0.00 C ATOM 1028 OE1 GLU A 65 4.375 2.706 -10.857 1.00 0.00 O ATOM 1029 OE2 GLU A 65 3.928 0.608 -11.060 1.00 0.00 O ATOM 0 H GLU A 65 6.533 0.839 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 65 5.904 3.711 -7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.821 1.553 -7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.893 2.940 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.178 1.483 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.012 0.222 -8.865 1.00 0.00 H new ATOM 1036 N PHE A 66 5.686 2.285 -4.801 1.00 0.00 N ATOM 1037 CA PHE A 66 5.278 2.421 -3.375 1.00 0.00 C ATOM 1038 C PHE A 66 6.004 3.623 -2.760 1.00 0.00 C ATOM 1039 O PHE A 66 6.005 3.823 -1.562 1.00 0.00 O ATOM 1040 CB PHE A 66 5.714 1.145 -2.654 1.00 0.00 C ATOM 1041 CG PHE A 66 5.092 1.066 -1.285 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.724 0.816 -1.161 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.878 1.253 -0.140 1.00 0.00 C ATOM 1044 CE1 PHE A 66 3.132 0.758 0.103 1.00 0.00 C ATOM 1045 CE2 PHE A 66 5.286 1.191 1.123 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.911 0.948 1.246 1.00 0.00 C ATOM 0 H PHE A 66 6.451 1.630 -4.963 1.00 0.00 H new ATOM 0 HA PHE A 66 4.202 2.569 -3.287 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.425 0.273 -3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.800 1.124 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.122 0.667 -2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.937 1.444 -0.234 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.073 0.566 0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.889 1.331 2.008 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.455 0.908 2.224 1.00 0.00 H new ATOM 1056 N GLN A 67 6.631 4.414 -3.585 1.00 0.00 N ATOM 1057 CA GLN A 67 7.380 5.607 -3.086 1.00 0.00 C ATOM 1058 C GLN A 67 6.436 6.784 -2.915 1.00 0.00 C ATOM 1059 O GLN A 67 6.407 7.435 -1.892 1.00 0.00 O ATOM 1060 CB GLN A 67 8.487 5.988 -4.074 1.00 0.00 C ATOM 1061 CG GLN A 67 9.382 4.779 -4.370 1.00 0.00 C ATOM 1062 CD GLN A 67 10.298 4.479 -3.168 1.00 0.00 C ATOM 1063 OE1 GLN A 67 11.099 5.315 -2.796 1.00 0.00 O ATOM 1064 NE2 GLN A 67 10.228 3.327 -2.531 1.00 0.00 N ATOM 0 H GLN A 67 6.658 4.285 -4.596 1.00 0.00 H new ATOM 0 HA GLN A 67 7.825 5.356 -2.123 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.045 6.356 -5.000 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.087 6.800 -3.662 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.765 3.908 -4.591 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.987 4.975 -5.256 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.561 2.617 -2.833 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.841 3.146 -1.736 1.00 0.00 H new ATOM 1073 N VAL A 68 5.683 7.074 -3.924 1.00 0.00 N ATOM 1074 CA VAL A 68 4.740 8.223 -3.842 1.00 0.00 C ATOM 1075 C VAL A 68 4.031 8.200 -2.485 1.00 0.00 C ATOM 1076 O VAL A 68 3.761 9.225 -1.891 1.00 0.00 O ATOM 1077 CB VAL A 68 3.713 8.113 -4.963 1.00 0.00 C ATOM 1078 CG1 VAL A 68 3.055 9.473 -5.174 1.00 0.00 C ATOM 1079 CG2 VAL A 68 4.417 7.676 -6.251 1.00 0.00 C ATOM 0 H VAL A 68 5.674 6.567 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 68 5.289 9.159 -3.946 1.00 0.00 H new ATOM 0 HB VAL A 68 2.952 7.378 -4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.319 9.401 -5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.561 9.785 -4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.815 10.207 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.686 7.596 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.174 8.413 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.893 6.708 -6.095 1.00 0.00 H new ATOM 1089 N LEU A 69 3.741 7.032 -1.992 1.00 0.00 N ATOM 1090 CA LEU A 69 3.062 6.910 -0.670 1.00 0.00 C ATOM 1091 C LEU A 69 4.090 7.046 0.429 1.00 0.00 C ATOM 1092 O LEU A 69 3.808 7.539 1.489 1.00 0.00 O ATOM 1093 CB LEU A 69 2.477 5.512 -0.544 1.00 0.00 C ATOM 1094 CG LEU A 69 1.094 5.524 0.128 1.00 0.00 C ATOM 1095 CD1 LEU A 69 0.956 4.248 0.950 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.944 6.726 1.071 1.00 0.00 C ATOM 0 H LEU A 69 3.947 6.145 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 69 2.291 7.677 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.395 5.063 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.156 4.886 0.035 1.00 0.00 H new ATOM 0 HG LEU A 69 0.328 5.591 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.019 4.233 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.048 3.382 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.740 4.216 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.044 6.707 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.707 6.676 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.063 7.650 0.505 1.00 0.00 H new ATOM 1108 N VAL A 70 5.272 6.563 0.209 1.00 0.00 N ATOM 1109 CA VAL A 70 6.283 6.653 1.276 1.00 0.00 C ATOM 1110 C VAL A 70 6.335 8.099 1.772 1.00 0.00 C ATOM 1111 O VAL A 70 6.411 8.353 2.954 1.00 0.00 O ATOM 1112 CB VAL A 70 7.658 6.185 0.767 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.430 7.348 0.134 1.00 0.00 C ATOM 1114 CG2 VAL A 70 8.461 5.628 1.944 1.00 0.00 C ATOM 0 H VAL A 70 5.577 6.115 -0.655 1.00 0.00 H new ATOM 0 HA VAL A 70 6.011 5.997 2.103 1.00 0.00 H new ATOM 0 HB VAL A 70 7.509 5.415 0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.398 6.993 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.862 7.747 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.579 8.132 0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.437 5.294 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.593 6.407 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.926 4.786 2.384 1.00 0.00 H new ATOM 1124 N LYS A 71 6.241 9.053 0.879 1.00 0.00 N ATOM 1125 CA LYS A 71 6.251 10.486 1.305 1.00 0.00 C ATOM 1126 C LYS A 71 4.885 10.873 1.893 1.00 0.00 C ATOM 1127 O LYS A 71 4.501 12.025 1.888 1.00 0.00 O ATOM 1128 CB LYS A 71 6.546 11.370 0.104 1.00 0.00 C ATOM 1129 CG LYS A 71 7.909 11.007 -0.491 1.00 0.00 C ATOM 1130 CD LYS A 71 8.770 12.269 -0.596 1.00 0.00 C ATOM 1131 CE LYS A 71 8.604 12.887 -1.985 1.00 0.00 C ATOM 1132 NZ LYS A 71 8.500 14.370 -1.861 1.00 0.00 N ATOM 0 H LYS A 71 6.158 8.901 -0.126 1.00 0.00 H new ATOM 0 HA LYS A 71 7.021 10.623 2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.767 11.247 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.538 12.418 0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.406 10.266 0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.780 10.558 -1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.477 12.987 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.817 12.023 -0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.453 12.623 -2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.712 12.488 -2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.387 14.790 -2.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.677 14.612 -1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.364 14.743 -1.417 1.00 0.00 H new ATOM 1146 N LYS A 72 4.156 9.919 2.408 1.00 0.00 N ATOM 1147 CA LYS A 72 2.832 10.210 3.001 1.00 0.00 C ATOM 1148 C LYS A 72 2.808 9.671 4.438 1.00 0.00 C ATOM 1149 O LYS A 72 1.766 9.587 5.057 1.00 0.00 O ATOM 1150 CB LYS A 72 1.737 9.512 2.192 1.00 0.00 C ATOM 1151 CG LYS A 72 1.203 10.457 1.120 1.00 0.00 C ATOM 1152 CD LYS A 72 2.317 10.792 0.130 1.00 0.00 C ATOM 1153 CE LYS A 72 1.710 11.337 -1.165 1.00 0.00 C ATOM 1154 NZ LYS A 72 0.643 10.414 -1.646 1.00 0.00 N ATOM 0 H LYS A 72 4.432 8.938 2.440 1.00 0.00 H new ATOM 0 HA LYS A 72 2.657 11.286 2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.135 8.609 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.927 9.201 2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.366 9.994 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.826 11.370 1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.993 11.529 0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.909 9.901 -0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.295 12.330 -0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.484 11.441 -1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.632 10.408 -2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.832 9.453 -1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.280 10.736 -1.292 1.00 0.00 H new ATOM 1168 N ILE A 73 3.945 9.264 4.961 1.00 0.00 N ATOM 1169 CA ILE A 73 3.964 8.684 6.341 1.00 0.00 C ATOM 1170 C ILE A 73 4.568 9.611 7.349 1.00 0.00 C ATOM 1171 O ILE A 73 4.100 9.729 8.464 1.00 0.00 O ATOM 1172 CB ILE A 73 4.916 7.502 6.396 1.00 0.00 C ATOM 1173 CG1 ILE A 73 4.890 6.738 5.100 1.00 0.00 C ATOM 1174 CG2 ILE A 73 4.567 6.618 7.576 1.00 0.00 C ATOM 1175 CD1 ILE A 73 3.609 5.907 4.996 1.00 0.00 C ATOM 0 H ILE A 73 4.851 9.309 4.495 1.00 0.00 H new ATOM 0 HA ILE A 73 2.922 8.450 6.558 1.00 0.00 H new ATOM 0 HB ILE A 73 5.934 7.866 6.534 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.951 7.431 4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.761 6.085 5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.252 5.771 7.612 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.652 7.192 8.499 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.545 6.253 7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.605 5.360 4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.565 5.201 5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.743 6.567 5.036 1.00 0.00 H new ATOM 1187 N SER A 74 5.696 10.131 6.991 1.00 0.00 N ATOM 1188 CA SER A 74 6.504 10.922 7.922 1.00 0.00 C ATOM 1189 C SER A 74 5.686 11.457 9.106 1.00 0.00 C ATOM 1190 O SER A 74 5.814 10.987 10.219 1.00 0.00 O ATOM 1191 CB SER A 74 7.175 12.081 7.189 1.00 0.00 C ATOM 1192 OG SER A 74 8.428 12.360 7.797 1.00 0.00 O ATOM 0 H SER A 74 6.099 10.034 6.059 1.00 0.00 H new ATOM 0 HA SER A 74 7.263 10.254 8.328 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.316 11.828 6.138 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.537 12.965 7.222 1.00 0.00 H new ATOM 0 HG SER A 74 8.862 13.103 7.327 1.00 0.00 H new ATOM 1198 N GLN A 75 4.850 12.432 8.881 1.00 0.00 N ATOM 1199 CA GLN A 75 4.039 12.981 10.004 1.00 0.00 C ATOM 1200 C GLN A 75 2.676 12.284 10.037 1.00 0.00 C ATOM 1201 O GLN A 75 2.548 11.307 10.757 1.00 0.00 O ATOM 1202 CB GLN A 75 3.840 14.485 9.805 1.00 0.00 C ATOM 1203 CG GLN A 75 5.193 15.150 9.547 1.00 0.00 C ATOM 1204 CD GLN A 75 5.383 16.319 10.516 1.00 0.00 C ATOM 1205 OE1 GLN A 75 4.550 17.199 10.594 1.00 0.00 O ATOM 1206 NE2 GLN A 75 6.452 16.364 11.265 1.00 0.00 N ATOM 1207 OXT GLN A 75 1.782 12.740 9.342 1.00 0.00 O ATOM 0 H GLN A 75 4.693 12.871 7.974 1.00 0.00 H new ATOM 0 HA GLN A 75 4.559 12.807 10.946 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.168 14.666 8.966 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.371 14.920 10.688 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.996 14.424 9.674 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.245 15.505 8.518 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.152 15.625 11.200 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.587 17.138 11.915 1.00 0.00 H new