USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 536 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0612 K(o=-0.061,f=-1.3) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 24 SER OG : rot -140:sc= 0 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 33 GLN : amide:sc= -0.0392 X(o=-0.039,f=-0.42) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.999 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0966 USER MOD Single : A 67 GLN :FLIP amide:sc= -3.21! C(o=-4.3!,f=-3.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.045 X(o=-0.045,f=0) USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 5 10.640 -9.381 -2.695 1.00 0.00 N ATOM 64 CA GLU A 5 10.952 -8.637 -1.486 1.00 0.00 C ATOM 65 C GLU A 5 9.814 -7.673 -1.147 1.00 0.00 C ATOM 66 O GLU A 5 9.295 -7.687 -0.033 1.00 0.00 O ATOM 67 CB GLU A 5 12.280 -7.890 -1.629 1.00 0.00 C ATOM 68 CG GLU A 5 13.426 -8.682 -0.995 1.00 0.00 C ATOM 69 CD GLU A 5 14.274 -7.787 -0.089 1.00 0.00 C ATOM 70 OE1 GLU A 5 14.827 -6.801 -0.622 1.00 0.00 O ATOM 71 OE2 GLU A 5 14.350 -8.109 1.117 1.00 0.00 O ATOM 0 HA GLU A 5 11.058 -9.345 -0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.493 -7.718 -2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.204 -6.911 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.022 -9.513 -0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.052 -9.112 -1.777 1.00 0.00 H new ATOM 78 N LEU A 6 9.460 -6.857 -2.130 1.00 0.00 N ATOM 79 CA LEU A 6 8.393 -5.888 -1.950 1.00 0.00 C ATOM 80 C LEU A 6 7.160 -6.592 -1.380 1.00 0.00 C ATOM 81 O LEU A 6 6.574 -6.131 -0.402 1.00 0.00 O ATOM 82 CB LEU A 6 8.124 -5.138 -3.256 1.00 0.00 C ATOM 83 CG LEU A 6 8.936 -3.860 -3.475 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.708 -3.300 -4.881 1.00 0.00 C ATOM 85 CD2 LEU A 6 8.632 -2.825 -2.390 1.00 0.00 C ATOM 0 H LEU A 6 9.894 -6.848 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 6 8.688 -5.127 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.319 -5.815 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.065 -4.883 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 6 9.994 -4.109 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.297 -2.392 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.014 -4.039 -5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.651 -3.069 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.222 -1.926 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.572 -2.574 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.885 -3.237 -1.413 1.00 0.00 H new ATOM 97 N LYS A 7 6.804 -7.699 -2.016 1.00 0.00 N ATOM 98 CA LYS A 7 5.652 -8.472 -1.584 1.00 0.00 C ATOM 99 C LYS A 7 5.764 -8.753 -0.085 1.00 0.00 C ATOM 100 O LYS A 7 4.835 -8.481 0.673 1.00 0.00 O ATOM 101 CB LYS A 7 5.503 -9.733 -2.437 1.00 0.00 C ATOM 102 CG LYS A 7 4.032 -10.008 -2.757 1.00 0.00 C ATOM 103 CD LYS A 7 3.845 -11.426 -3.301 1.00 0.00 C ATOM 104 CE LYS A 7 4.031 -11.460 -4.819 1.00 0.00 C ATOM 105 NZ LYS A 7 4.424 -12.816 -5.262 1.00 0.00 N ATOM 0 H LYS A 7 7.293 -8.079 -2.827 1.00 0.00 H new ATOM 0 HA LYS A 7 4.734 -7.903 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.065 -9.618 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.930 -10.586 -1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.430 -9.877 -1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.674 -9.284 -3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.561 -12.098 -2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.850 -11.789 -3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.105 -11.164 -5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.793 -10.739 -5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.546 -12.822 -6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.319 -13.084 -4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.683 -13.496 -4.997 1.00 0.00 H new ATOM 119 N GLY A 8 6.911 -9.296 0.299 1.00 0.00 N ATOM 120 CA GLY A 8 7.157 -9.617 1.694 1.00 0.00 C ATOM 121 C GLY A 8 6.980 -8.383 2.581 1.00 0.00 C ATOM 122 O GLY A 8 6.331 -8.451 3.623 1.00 0.00 O ATOM 0 H GLY A 8 7.680 -9.521 -0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.473 -10.402 2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.168 -10.009 1.808 1.00 0.00 H new ATOM 126 N ILE A 9 7.569 -7.283 2.134 1.00 0.00 N ATOM 127 CA ILE A 9 7.485 -6.036 2.874 1.00 0.00 C ATOM 128 C ILE A 9 6.015 -5.695 3.125 1.00 0.00 C ATOM 129 O ILE A 9 5.616 -5.452 4.263 1.00 0.00 O ATOM 130 CB ILE A 9 8.257 -4.931 2.150 1.00 0.00 C ATOM 131 CG1 ILE A 9 9.767 -5.135 2.290 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.818 -3.547 2.635 1.00 0.00 C ATOM 133 CD1 ILE A 9 10.473 -4.944 0.946 1.00 0.00 C ATOM 0 H ILE A 9 8.106 -7.230 1.269 1.00 0.00 H new ATOM 0 HA ILE A 9 7.960 -6.139 3.850 1.00 0.00 H new ATOM 0 HB ILE A 9 8.021 -4.990 1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.167 -4.430 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.969 -6.136 2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.382 -2.780 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.754 -3.414 2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.005 -3.460 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 9 11.545 -5.095 1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.088 -5.667 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.290 -3.934 0.579 1.00 0.00 H new ATOM 145 N PHE A 10 5.248 -5.689 2.044 1.00 0.00 N ATOM 146 CA PHE A 10 3.831 -5.383 2.133 1.00 0.00 C ATOM 147 C PHE A 10 3.156 -6.220 3.222 1.00 0.00 C ATOM 148 O PHE A 10 2.465 -5.681 4.085 1.00 0.00 O ATOM 149 CB PHE A 10 3.211 -5.734 0.779 1.00 0.00 C ATOM 150 CG PHE A 10 1.708 -6.013 0.836 1.00 0.00 C ATOM 151 CD1 PHE A 10 1.259 -7.250 1.179 1.00 0.00 C ATOM 152 CD2 PHE A 10 0.821 -5.024 0.544 1.00 0.00 C ATOM 153 CE1 PHE A 10 -0.136 -7.509 1.232 1.00 0.00 C ATOM 154 CE2 PHE A 10 -0.574 -5.283 0.597 1.00 0.00 C ATOM 155 CZ PHE A 10 -1.023 -6.520 0.940 1.00 0.00 C ATOM 0 H PHE A 10 5.582 -5.891 1.102 1.00 0.00 H new ATOM 0 HA PHE A 10 3.693 -4.331 2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.392 -4.913 0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.718 -6.611 0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.963 -8.035 1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.178 -4.042 0.272 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.493 -8.491 1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.278 -4.498 0.365 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.084 -6.717 0.981 1.00 0.00 H new ATOM 165 N GLU A 11 3.381 -7.524 3.145 1.00 0.00 N ATOM 166 CA GLU A 11 2.803 -8.440 4.113 1.00 0.00 C ATOM 167 C GLU A 11 3.299 -8.107 5.522 1.00 0.00 C ATOM 168 O GLU A 11 2.503 -7.988 6.452 1.00 0.00 O ATOM 169 CB GLU A 11 3.120 -9.892 3.750 1.00 0.00 C ATOM 170 CG GLU A 11 1.843 -10.663 3.409 1.00 0.00 C ATOM 171 CD GLU A 11 1.997 -12.150 3.736 1.00 0.00 C ATOM 172 OE1 GLU A 11 2.150 -12.454 4.939 1.00 0.00 O ATOM 173 OE2 GLU A 11 1.957 -12.950 2.776 1.00 0.00 O ATOM 0 H GLU A 11 3.955 -7.967 2.428 1.00 0.00 H new ATOM 0 HA GLU A 11 1.720 -8.322 4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.802 -9.918 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.630 -10.376 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.004 -10.249 3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.612 -10.542 2.351 1.00 0.00 H new ATOM 180 N LYS A 12 4.611 -7.965 5.634 1.00 0.00 N ATOM 181 CA LYS A 12 5.223 -7.647 6.914 1.00 0.00 C ATOM 182 C LYS A 12 4.358 -6.619 7.646 1.00 0.00 C ATOM 183 O LYS A 12 4.316 -6.601 8.875 1.00 0.00 O ATOM 184 CB LYS A 12 6.674 -7.203 6.719 1.00 0.00 C ATOM 185 CG LYS A 12 7.477 -7.371 8.010 1.00 0.00 C ATOM 186 CD LYS A 12 7.631 -6.034 8.738 1.00 0.00 C ATOM 187 CE LYS A 12 8.600 -6.160 9.916 1.00 0.00 C ATOM 188 NZ LYS A 12 7.980 -6.932 11.016 1.00 0.00 N ATOM 0 H LYS A 12 5.268 -8.064 4.860 1.00 0.00 H new ATOM 0 HA LYS A 12 5.268 -8.534 7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.133 -7.788 5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.700 -6.160 6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.979 -8.089 8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.461 -7.779 7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.994 -5.277 8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.658 -5.697 9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.516 -6.652 9.590 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.880 -5.169 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.650 -7.008 11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.118 -6.447 11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.735 -7.884 10.677 1.00 0.00 H new ATOM 202 N TYR A 13 3.689 -5.789 6.860 1.00 0.00 N ATOM 203 CA TYR A 13 2.827 -4.760 7.419 1.00 0.00 C ATOM 204 C TYR A 13 1.373 -5.234 7.475 1.00 0.00 C ATOM 205 O TYR A 13 0.724 -5.133 8.515 1.00 0.00 O ATOM 206 CB TYR A 13 2.925 -3.566 6.468 1.00 0.00 C ATOM 207 CG TYR A 13 3.878 -2.468 6.944 1.00 0.00 C ATOM 208 CD1 TYR A 13 3.440 -1.514 7.840 1.00 0.00 C ATOM 209 CD2 TYR A 13 5.177 -2.431 6.477 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.337 -0.481 8.288 1.00 0.00 C ATOM 211 CE2 TYR A 13 6.074 -1.398 6.925 1.00 0.00 C ATOM 212 CZ TYR A 13 5.609 -0.473 7.809 1.00 0.00 C ATOM 213 OH TYR A 13 6.457 0.503 8.232 1.00 0.00 O ATOM 0 H TYR A 13 3.726 -5.807 5.841 1.00 0.00 H new ATOM 0 HA TYR A 13 3.134 -4.512 8.435 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.253 -3.919 5.490 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.931 -3.138 6.335 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.424 -1.542 8.205 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.520 -3.177 5.776 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.007 0.271 8.989 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.092 -1.358 6.568 1.00 0.00 H new ATOM 0 HH TYR A 13 7.332 0.383 7.808 1.00 0.00 H new ATOM 223 N ALA A 14 0.905 -5.741 6.344 1.00 0.00 N ATOM 224 CA ALA A 14 -0.460 -6.231 6.252 1.00 0.00 C ATOM 225 C ALA A 14 -0.751 -7.144 7.444 1.00 0.00 C ATOM 226 O ALA A 14 -1.866 -7.155 7.964 1.00 0.00 O ATOM 227 CB ALA A 14 -0.658 -6.941 4.911 1.00 0.00 C ATOM 0 H ALA A 14 1.447 -5.823 5.484 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.168 -5.404 6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.682 -7.309 4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.468 -6.241 4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.034 -7.780 4.838 1.00 0.00 H new ATOM 233 N ALA A 15 0.271 -7.887 7.843 1.00 0.00 N ATOM 234 CA ALA A 15 0.138 -8.801 8.965 1.00 0.00 C ATOM 235 C ALA A 15 -0.059 -7.997 10.252 1.00 0.00 C ATOM 236 O ALA A 15 -0.816 -8.404 11.132 1.00 0.00 O ATOM 237 CB ALA A 15 1.365 -9.712 9.029 1.00 0.00 C ATOM 0 H ALA A 15 1.194 -7.875 7.410 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.736 -9.440 8.838 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.266 -10.398 9.870 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.443 -10.282 8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.262 -9.106 9.159 1.00 0.00 H new ATOM 243 N LYS A 16 0.635 -6.871 10.320 1.00 0.00 N ATOM 244 CA LYS A 16 0.545 -6.006 11.485 1.00 0.00 C ATOM 245 C LYS A 16 -0.921 -5.653 11.741 1.00 0.00 C ATOM 246 O LYS A 16 -1.454 -5.936 12.813 1.00 0.00 O ATOM 247 CB LYS A 16 1.451 -4.785 11.316 1.00 0.00 C ATOM 248 CG LYS A 16 2.537 -4.755 12.394 1.00 0.00 C ATOM 249 CD LYS A 16 3.303 -3.431 12.364 1.00 0.00 C ATOM 250 CE LYS A 16 3.645 -2.963 13.779 1.00 0.00 C ATOM 251 NZ LYS A 16 3.903 -1.505 13.795 1.00 0.00 N ATOM 0 H LYS A 16 1.262 -6.537 9.588 1.00 0.00 H new ATOM 0 HA LYS A 16 0.908 -6.524 12.373 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.913 -4.805 10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.854 -3.874 11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.084 -4.895 13.376 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.229 -5.583 12.241 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.219 -3.550 11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.704 -2.672 11.861 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.824 -3.200 14.455 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.522 -3.498 14.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.134 -1.204 14.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.701 -1.287 13.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.055 -0.999 13.468 1.00 0.00 H new ATOM 265 N GLU A 17 -1.533 -5.040 10.738 1.00 0.00 N ATOM 266 CA GLU A 17 -2.928 -4.645 10.842 1.00 0.00 C ATOM 267 C GLU A 17 -3.772 -5.406 9.817 1.00 0.00 C ATOM 268 O GLU A 17 -3.443 -5.432 8.632 1.00 0.00 O ATOM 269 CB GLU A 17 -3.084 -3.134 10.666 1.00 0.00 C ATOM 270 CG GLU A 17 -2.349 -2.374 11.772 1.00 0.00 C ATOM 271 CD GLU A 17 -3.181 -1.191 12.272 1.00 0.00 C ATOM 272 OE1 GLU A 17 -4.111 -1.447 13.066 1.00 0.00 O ATOM 273 OE2 GLU A 17 -2.868 -0.058 11.847 1.00 0.00 O ATOM 0 H GLU A 17 -1.089 -4.807 9.850 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.285 -4.900 11.840 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.693 -2.835 9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.141 -2.870 10.679 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.135 -3.049 12.601 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.390 -2.016 11.397 1.00 0.00 H new ATOM 280 N GLY A 18 -4.844 -6.008 10.312 1.00 0.00 N ATOM 281 CA GLY A 18 -5.738 -6.768 9.455 1.00 0.00 C ATOM 282 C GLY A 18 -5.023 -7.980 8.855 1.00 0.00 C ATOM 283 O GLY A 18 -3.844 -8.206 9.123 1.00 0.00 O ATOM 0 H GLY A 18 -5.113 -5.985 11.296 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.604 -7.099 10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.112 -6.129 8.655 1.00 0.00 H new ATOM 287 N ASP A 19 -5.767 -8.729 8.054 1.00 0.00 N ATOM 288 CA ASP A 19 -5.220 -9.913 7.414 1.00 0.00 C ATOM 289 C ASP A 19 -3.926 -9.542 6.686 1.00 0.00 C ATOM 290 O ASP A 19 -3.541 -8.374 6.654 1.00 0.00 O ATOM 291 CB ASP A 19 -6.195 -10.482 6.382 1.00 0.00 C ATOM 292 CG ASP A 19 -6.686 -11.902 6.671 1.00 0.00 C ATOM 293 OD1 ASP A 19 -6.626 -12.293 7.856 1.00 0.00 O ATOM 294 OD2 ASP A 19 -7.109 -12.565 5.699 1.00 0.00 O ATOM 0 H ASP A 19 -6.745 -8.538 7.834 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.037 -10.659 8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.059 -9.821 6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.713 -10.472 5.405 1.00 0.00 H new ATOM 299 N PRO A 20 -3.273 -10.584 6.106 1.00 0.00 N ATOM 300 CA PRO A 20 -2.031 -10.379 5.381 1.00 0.00 C ATOM 301 C PRO A 20 -2.291 -9.738 4.017 1.00 0.00 C ATOM 302 O PRO A 20 -1.380 -9.185 3.402 1.00 0.00 O ATOM 303 CB PRO A 20 -1.403 -11.760 5.278 1.00 0.00 C ATOM 304 CG PRO A 20 -2.528 -12.749 5.535 1.00 0.00 C ATOM 305 CD PRO A 20 -3.699 -11.980 6.124 1.00 0.00 C ATOM 0 HA PRO A 20 -1.358 -9.686 5.887 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.963 -11.916 4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.602 -11.881 6.008 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.822 -13.242 4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.200 -13.530 6.221 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.604 -12.125 5.535 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.922 -12.313 7.138 1.00 0.00 H new ATOM 313 N ASN A 21 -3.539 -9.832 3.583 1.00 0.00 N ATOM 314 CA ASN A 21 -3.931 -9.268 2.302 1.00 0.00 C ATOM 315 C ASN A 21 -4.680 -7.954 2.537 1.00 0.00 C ATOM 316 O ASN A 21 -5.233 -7.376 1.602 1.00 0.00 O ATOM 317 CB ASN A 21 -4.864 -10.215 1.545 1.00 0.00 C ATOM 318 CG ASN A 21 -4.068 -11.176 0.659 1.00 0.00 C ATOM 319 OD1 ASN A 21 -3.991 -11.027 -0.550 1.00 0.00 O ATOM 320 ND2 ASN A 21 -3.481 -12.166 1.325 1.00 0.00 N ATOM 0 H ASN A 21 -4.292 -10.290 4.096 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.028 -9.106 1.714 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.466 -10.783 2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.555 -9.637 0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.926 -12.859 0.823 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.586 -12.232 2.337 1.00 0.00 H new ATOM 327 N GLN A 22 -4.675 -7.522 3.789 1.00 0.00 N ATOM 328 CA GLN A 22 -5.347 -6.288 4.158 1.00 0.00 C ATOM 329 C GLN A 22 -4.336 -5.273 4.695 1.00 0.00 C ATOM 330 O GLN A 22 -3.504 -5.607 5.537 1.00 0.00 O ATOM 331 CB GLN A 22 -6.455 -6.551 5.179 1.00 0.00 C ATOM 332 CG GLN A 22 -7.634 -7.282 4.533 1.00 0.00 C ATOM 333 CD GLN A 22 -8.766 -7.494 5.540 1.00 0.00 C ATOM 334 OE1 GLN A 22 -8.585 -7.407 6.744 1.00 0.00 O ATOM 335 NE2 GLN A 22 -9.940 -7.778 4.983 1.00 0.00 N ATOM 0 H GLN A 22 -4.216 -8.005 4.561 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.813 -5.870 3.265 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.061 -7.146 6.003 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.796 -5.606 5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.001 -6.707 3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.301 -8.245 4.146 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.022 -7.836 3.968 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.758 -7.938 5.571 1.00 0.00 H new ATOM 344 N LEU A 23 -4.441 -4.054 4.186 1.00 0.00 N ATOM 345 CA LEU A 23 -3.547 -2.989 4.605 1.00 0.00 C ATOM 346 C LEU A 23 -4.344 -1.929 5.367 1.00 0.00 C ATOM 347 O LEU A 23 -5.568 -2.013 5.456 1.00 0.00 O ATOM 348 CB LEU A 23 -2.776 -2.434 3.405 1.00 0.00 C ATOM 349 CG LEU A 23 -1.552 -3.238 2.964 1.00 0.00 C ATOM 350 CD1 LEU A 23 -0.263 -2.613 3.500 1.00 0.00 C ATOM 351 CD2 LEU A 23 -1.687 -4.708 3.367 1.00 0.00 C ATOM 0 H LEU A 23 -5.132 -3.781 3.487 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.792 -3.374 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.461 -2.361 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.454 -1.420 3.643 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.497 -3.206 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.592 -3.204 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.167 -1.595 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.294 -2.593 4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.803 -5.257 3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.781 -4.781 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.573 -5.134 2.896 1.00 0.00 H new ATOM 363 N SER A 24 -3.618 -0.955 5.896 1.00 0.00 N ATOM 364 CA SER A 24 -4.243 0.120 6.648 1.00 0.00 C ATOM 365 C SER A 24 -3.579 1.455 6.303 1.00 0.00 C ATOM 366 O SER A 24 -2.398 1.494 5.959 1.00 0.00 O ATOM 367 CB SER A 24 -4.160 -0.140 8.153 1.00 0.00 C ATOM 368 OG SER A 24 -4.545 -1.470 8.487 1.00 0.00 O ATOM 0 H SER A 24 -2.603 -0.888 5.819 1.00 0.00 H new ATOM 0 HA SER A 24 -5.296 0.163 6.371 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.141 0.039 8.496 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.802 0.566 8.679 1.00 0.00 H new ATOM 0 HG SER A 24 -5.076 -1.460 9.310 1.00 0.00 H new ATOM 374 N LYS A 25 -4.366 2.515 6.406 1.00 0.00 N ATOM 375 CA LYS A 25 -3.870 3.848 6.108 1.00 0.00 C ATOM 376 C LYS A 25 -2.552 4.074 6.853 1.00 0.00 C ATOM 377 O LYS A 25 -1.535 4.394 6.239 1.00 0.00 O ATOM 378 CB LYS A 25 -4.938 4.899 6.415 1.00 0.00 C ATOM 379 CG LYS A 25 -4.569 6.251 5.802 1.00 0.00 C ATOM 380 CD LYS A 25 -4.980 7.402 6.724 1.00 0.00 C ATOM 381 CE LYS A 25 -6.435 7.808 6.477 1.00 0.00 C ATOM 382 NZ LYS A 25 -6.978 8.528 7.650 1.00 0.00 N ATOM 0 H LYS A 25 -5.344 2.478 6.692 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.657 3.946 5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.901 4.569 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.051 5.004 7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.495 6.291 5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.060 6.362 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.854 7.103 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.326 8.258 6.557 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.497 8.442 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.037 6.922 6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.966 8.796 7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.937 7.911 8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.413 9.384 7.824 1.00 0.00 H new ATOM 396 N GLU A 26 -2.614 3.900 8.165 1.00 0.00 N ATOM 397 CA GLU A 26 -1.438 4.081 9.000 1.00 0.00 C ATOM 398 C GLU A 26 -0.315 3.149 8.544 1.00 0.00 C ATOM 399 O GLU A 26 0.838 3.565 8.440 1.00 0.00 O ATOM 400 CB GLU A 26 -1.774 3.856 10.475 1.00 0.00 C ATOM 401 CG GLU A 26 -1.467 5.104 11.305 1.00 0.00 C ATOM 402 CD GLU A 26 0.027 5.197 11.622 1.00 0.00 C ATOM 403 OE1 GLU A 26 0.446 4.522 12.587 1.00 0.00 O ATOM 404 OE2 GLU A 26 0.717 5.942 10.893 1.00 0.00 O ATOM 0 H GLU A 26 -3.460 3.636 8.670 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.094 5.110 8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.828 3.598 10.576 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.201 3.011 10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.783 5.994 10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.038 5.078 12.233 1.00 0.00 H new ATOM 411 N GLU A 27 -0.690 1.905 8.285 1.00 0.00 N ATOM 412 CA GLU A 27 0.272 0.909 7.843 1.00 0.00 C ATOM 413 C GLU A 27 0.927 1.350 6.532 1.00 0.00 C ATOM 414 O GLU A 27 2.129 1.610 6.491 1.00 0.00 O ATOM 415 CB GLU A 27 -0.388 -0.462 7.692 1.00 0.00 C ATOM 416 CG GLU A 27 -0.533 -1.154 9.049 1.00 0.00 C ATOM 417 CD GLU A 27 -0.120 -2.625 8.961 1.00 0.00 C ATOM 418 OE1 GLU A 27 -0.948 -3.417 8.462 1.00 0.00 O ATOM 419 OE2 GLU A 27 1.014 -2.923 9.395 1.00 0.00 O ATOM 0 H GLU A 27 -1.647 1.564 8.373 1.00 0.00 H new ATOM 0 HA GLU A 27 1.048 0.819 8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.369 -0.348 7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.207 -1.085 7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.083 -0.643 9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.566 -1.082 9.389 1.00 0.00 H new ATOM 426 N LEU A 28 0.108 1.421 5.493 1.00 0.00 N ATOM 427 CA LEU A 28 0.593 1.825 4.184 1.00 0.00 C ATOM 428 C LEU A 28 1.477 3.065 4.334 1.00 0.00 C ATOM 429 O LEU A 28 2.594 3.102 3.820 1.00 0.00 O ATOM 430 CB LEU A 28 -0.575 2.016 3.215 1.00 0.00 C ATOM 431 CG LEU A 28 -0.244 1.873 1.728 1.00 0.00 C ATOM 432 CD1 LEU A 28 0.952 0.942 1.520 1.00 0.00 C ATOM 433 CD2 LEU A 28 -1.470 1.418 0.934 1.00 0.00 C ATOM 0 H LEU A 28 -0.888 1.206 5.531 1.00 0.00 H new ATOM 0 HA LEU A 28 1.213 1.041 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.351 1.292 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.999 3.007 3.379 1.00 0.00 H new ATOM 0 HG LEU A 28 0.041 2.853 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.166 0.858 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.823 1.348 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.720 -0.044 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.207 1.324 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.810 0.453 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.268 2.152 1.045 1.00 0.00 H new ATOM 445 N LYS A 29 0.943 4.052 5.039 1.00 0.00 N ATOM 446 CA LYS A 29 1.669 5.290 5.262 1.00 0.00 C ATOM 447 C LYS A 29 3.139 4.972 5.541 1.00 0.00 C ATOM 448 O LYS A 29 4.026 5.453 4.838 1.00 0.00 O ATOM 449 CB LYS A 29 0.999 6.113 6.365 1.00 0.00 C ATOM 450 CG LYS A 29 1.666 7.482 6.510 1.00 0.00 C ATOM 451 CD LYS A 29 0.642 8.555 6.886 1.00 0.00 C ATOM 452 CE LYS A 29 0.661 8.828 8.391 1.00 0.00 C ATOM 453 NZ LYS A 29 -0.168 10.010 8.714 1.00 0.00 N ATOM 0 H LYS A 29 0.016 4.019 5.463 1.00 0.00 H new ATOM 0 HA LYS A 29 1.641 5.913 4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.059 6.242 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.056 5.575 7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.443 7.433 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.155 7.753 5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.858 9.475 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.355 8.233 6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.288 7.957 8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.686 8.993 8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.144 10.181 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.205 10.843 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.149 9.838 8.415 1.00 0.00 H new ATOM 467 N LEU A 30 3.352 4.162 6.568 1.00 0.00 N ATOM 468 CA LEU A 30 4.699 3.773 6.948 1.00 0.00 C ATOM 469 C LEU A 30 5.417 3.182 5.733 1.00 0.00 C ATOM 470 O LEU A 30 6.475 3.667 5.336 1.00 0.00 O ATOM 471 CB LEU A 30 4.666 2.837 8.158 1.00 0.00 C ATOM 472 CG LEU A 30 4.002 3.394 9.419 1.00 0.00 C ATOM 473 CD1 LEU A 30 4.389 2.573 10.650 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.322 4.879 9.596 1.00 0.00 C ATOM 0 H LEU A 30 2.614 3.764 7.149 1.00 0.00 H new ATOM 0 HA LEU A 30 5.272 4.645 7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.146 1.923 7.871 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.690 2.557 8.404 1.00 0.00 H new ATOM 0 HG LEU A 30 2.922 3.309 9.303 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.904 2.990 11.533 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.069 1.540 10.514 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.471 2.603 10.782 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.838 5.250 10.499 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.401 5.011 9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.956 5.435 8.733 1.00 0.00 H new ATOM 486 N LEU A 31 4.812 2.143 5.176 1.00 0.00 N ATOM 487 CA LEU A 31 5.380 1.481 4.014 1.00 0.00 C ATOM 488 C LEU A 31 5.764 2.532 2.971 1.00 0.00 C ATOM 489 O LEU A 31 6.944 2.711 2.670 1.00 0.00 O ATOM 490 CB LEU A 31 4.423 0.411 3.485 1.00 0.00 C ATOM 491 CG LEU A 31 5.069 -0.762 2.747 1.00 0.00 C ATOM 492 CD1 LEU A 31 5.100 -2.014 3.627 1.00 0.00 C ATOM 493 CD2 LEU A 31 4.374 -1.019 1.409 1.00 0.00 C ATOM 0 H LEU A 31 3.934 1.743 5.508 1.00 0.00 H new ATOM 0 HA LEU A 31 6.293 0.952 4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.852 0.016 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.711 0.889 2.813 1.00 0.00 H new ATOM 0 HG LEU A 31 6.103 -0.498 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.564 -2.833 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.676 -1.810 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.082 -2.292 3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.854 -1.858 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.324 -1.253 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.449 -0.130 0.783 1.00 0.00 H new ATOM 505 N LEU A 32 4.747 3.199 2.447 1.00 0.00 N ATOM 506 CA LEU A 32 4.963 4.228 1.444 1.00 0.00 C ATOM 507 C LEU A 32 6.051 5.188 1.930 1.00 0.00 C ATOM 508 O LEU A 32 6.689 5.867 1.127 1.00 0.00 O ATOM 509 CB LEU A 32 3.645 4.919 1.092 1.00 0.00 C ATOM 510 CG LEU A 32 2.522 4.008 0.590 1.00 0.00 C ATOM 511 CD1 LEU A 32 1.207 4.779 0.462 1.00 0.00 C ATOM 512 CD2 LEU A 32 2.916 3.324 -0.720 1.00 0.00 C ATOM 0 H LEU A 32 3.770 3.047 2.698 1.00 0.00 H new ATOM 0 HA LEU A 32 5.321 3.785 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.288 5.449 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.845 5.671 0.328 1.00 0.00 H new ATOM 0 HG LEU A 32 2.363 3.222 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.426 4.109 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.924 5.179 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.333 5.599 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.101 2.683 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.118 4.080 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.810 2.721 -0.561 1.00 0.00 H new ATOM 524 N GLN A 33 6.228 5.214 3.243 1.00 0.00 N ATOM 525 CA GLN A 33 7.227 6.080 3.846 1.00 0.00 C ATOM 526 C GLN A 33 8.634 5.566 3.532 1.00 0.00 C ATOM 527 O GLN A 33 9.447 6.286 2.955 1.00 0.00 O ATOM 528 CB GLN A 33 7.011 6.198 5.356 1.00 0.00 C ATOM 529 CG GLN A 33 7.080 7.658 5.807 1.00 0.00 C ATOM 530 CD GLN A 33 6.303 7.867 7.109 1.00 0.00 C ATOM 531 OE1 GLN A 33 5.182 7.414 7.273 1.00 0.00 O ATOM 532 NE2 GLN A 33 6.960 8.577 8.022 1.00 0.00 N ATOM 0 H GLN A 33 5.697 4.649 3.906 1.00 0.00 H new ATOM 0 HA GLN A 33 7.121 7.077 3.418 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.042 5.777 5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.767 5.615 5.882 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.121 7.950 5.949 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.672 8.303 5.028 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.897 8.926 7.819 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.527 8.772 8.925 1.00 0.00 H new ATOM 541 N THR A 34 8.877 4.325 3.926 1.00 0.00 N ATOM 542 CA THR A 34 10.172 3.706 3.694 1.00 0.00 C ATOM 543 C THR A 34 10.212 3.058 2.308 1.00 0.00 C ATOM 544 O THR A 34 11.135 3.301 1.533 1.00 0.00 O ATOM 545 CB THR A 34 10.436 2.721 4.834 1.00 0.00 C ATOM 546 OG1 THR A 34 11.334 3.417 5.694 1.00 0.00 O ATOM 547 CG2 THR A 34 11.231 1.496 4.377 1.00 0.00 C ATOM 0 H THR A 34 8.200 3.731 4.404 1.00 0.00 H new ATOM 0 HA THR A 34 10.971 4.447 3.695 1.00 0.00 H new ATOM 0 HB THR A 34 9.487 2.399 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.557 2.850 6.462 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.391 0.829 5.224 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.675 0.970 3.601 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.194 1.815 3.980 1.00 0.00 H new ATOM 555 N GLU A 35 9.200 2.247 2.040 1.00 0.00 N ATOM 556 CA GLU A 35 9.108 1.562 0.762 1.00 0.00 C ATOM 557 C GLU A 35 9.348 2.545 -0.385 1.00 0.00 C ATOM 558 O GLU A 35 10.334 2.428 -1.112 1.00 0.00 O ATOM 559 CB GLU A 35 7.756 0.862 0.611 1.00 0.00 C ATOM 560 CG GLU A 35 7.589 0.292 -0.800 1.00 0.00 C ATOM 561 CD GLU A 35 7.060 -1.143 -0.752 1.00 0.00 C ATOM 562 OE1 GLU A 35 7.444 -1.858 0.199 1.00 0.00 O ATOM 563 OE2 GLU A 35 6.284 -1.492 -1.667 1.00 0.00 O ATOM 0 H GLU A 35 8.436 2.049 2.686 1.00 0.00 H new ATOM 0 HA GLU A 35 9.882 0.796 0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.674 0.059 1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.952 1.567 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.902 0.918 -1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.546 0.313 -1.320 1.00 0.00 H new ATOM 570 N PHE A 36 8.430 3.491 -0.513 1.00 0.00 N ATOM 571 CA PHE A 36 8.530 4.494 -1.560 1.00 0.00 C ATOM 572 C PHE A 36 7.923 5.823 -1.105 1.00 0.00 C ATOM 573 O PHE A 36 6.723 6.047 -1.258 1.00 0.00 O ATOM 574 CB PHE A 36 7.737 3.970 -2.759 1.00 0.00 C ATOM 575 CG PHE A 36 8.583 3.199 -3.775 1.00 0.00 C ATOM 576 CD1 PHE A 36 9.389 3.873 -4.638 1.00 0.00 C ATOM 577 CD2 PHE A 36 8.529 1.841 -3.814 1.00 0.00 C ATOM 578 CE1 PHE A 36 10.175 3.158 -5.581 1.00 0.00 C ATOM 579 CE2 PHE A 36 9.314 1.126 -4.757 1.00 0.00 C ATOM 580 CZ PHE A 36 10.120 1.800 -5.621 1.00 0.00 C ATOM 0 H PHE A 36 7.613 3.585 0.091 1.00 0.00 H new ATOM 0 HA PHE A 36 9.577 4.669 -1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.939 3.321 -2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.260 4.811 -3.262 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.432 4.952 -4.607 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.889 1.306 -3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.816 3.693 -6.266 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.271 0.047 -4.788 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.716 1.256 -6.339 1.00 0.00 H new ATOM 590 N PRO A 37 8.803 6.693 -0.540 1.00 0.00 N ATOM 591 CA PRO A 37 8.367 7.994 -0.062 1.00 0.00 C ATOM 592 C PRO A 37 8.116 8.951 -1.229 1.00 0.00 C ATOM 593 O PRO A 37 7.507 10.006 -1.053 1.00 0.00 O ATOM 594 CB PRO A 37 9.476 8.465 0.864 1.00 0.00 C ATOM 595 CG PRO A 37 10.696 7.630 0.512 1.00 0.00 C ATOM 596 CD PRO A 37 10.231 6.462 -0.343 1.00 0.00 C ATOM 0 HA PRO A 37 7.416 7.950 0.468 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.676 9.527 0.724 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.197 8.328 1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.427 8.231 -0.028 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.186 7.270 1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.762 6.431 -1.294 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.413 5.510 0.155 1.00 0.00 H new ATOM 604 N SER A 38 8.599 8.550 -2.396 1.00 0.00 N ATOM 605 CA SER A 38 8.435 9.359 -3.592 1.00 0.00 C ATOM 606 C SER A 38 6.955 9.433 -3.975 1.00 0.00 C ATOM 607 O SER A 38 6.514 10.410 -4.578 1.00 0.00 O ATOM 608 CB SER A 38 9.256 8.797 -4.754 1.00 0.00 C ATOM 609 OG SER A 38 9.992 9.814 -5.428 1.00 0.00 O ATOM 0 H SER A 38 9.104 7.675 -2.539 1.00 0.00 H new ATOM 0 HA SER A 38 8.799 10.364 -3.378 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.944 8.040 -4.379 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.591 8.301 -5.461 1.00 0.00 H new ATOM 0 HG SER A 38 10.504 9.415 -6.162 1.00 0.00 H new ATOM 615 N LEU A 39 6.229 8.387 -3.609 1.00 0.00 N ATOM 616 CA LEU A 39 4.808 8.321 -3.906 1.00 0.00 C ATOM 617 C LEU A 39 4.063 9.338 -3.039 1.00 0.00 C ATOM 618 O LEU A 39 2.963 9.767 -3.387 1.00 0.00 O ATOM 619 CB LEU A 39 4.295 6.888 -3.754 1.00 0.00 C ATOM 620 CG LEU A 39 3.802 6.212 -5.035 1.00 0.00 C ATOM 621 CD1 LEU A 39 2.357 6.607 -5.343 1.00 0.00 C ATOM 622 CD2 LEU A 39 4.740 6.509 -6.207 1.00 0.00 C ATOM 0 H LEU A 39 6.598 7.578 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 39 4.622 8.592 -4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.095 6.280 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.479 6.890 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 39 3.814 5.133 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.032 6.113 -6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.713 6.303 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.295 7.687 -5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.367 6.017 -7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.784 7.585 -6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.738 6.137 -5.977 1.00 0.00 H new ATOM 634 N LEU A 40 4.690 9.693 -1.928 1.00 0.00 N ATOM 635 CA LEU A 40 4.100 10.651 -1.009 1.00 0.00 C ATOM 636 C LEU A 40 4.217 12.057 -1.599 1.00 0.00 C ATOM 637 O LEU A 40 3.251 12.819 -1.594 1.00 0.00 O ATOM 638 CB LEU A 40 4.724 10.514 0.382 1.00 0.00 C ATOM 639 CG LEU A 40 4.325 9.268 1.176 1.00 0.00 C ATOM 640 CD1 LEU A 40 5.342 8.974 2.280 1.00 0.00 C ATOM 641 CD2 LEU A 40 2.904 9.401 1.727 1.00 0.00 C ATOM 0 H LEU A 40 5.601 9.334 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 40 3.037 10.448 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.809 10.520 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.457 11.394 0.967 1.00 0.00 H new ATOM 0 HG LEU A 40 4.329 8.415 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.035 8.084 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.323 8.806 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.393 9.822 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.645 8.502 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.849 10.268 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.204 9.528 0.901 1.00 0.00 H new ATOM 653 N LYS A 41 5.408 12.359 -2.095 1.00 0.00 N ATOM 654 CA LYS A 41 5.664 13.660 -2.689 1.00 0.00 C ATOM 655 C LYS A 41 4.856 13.794 -3.981 1.00 0.00 C ATOM 656 O LYS A 41 4.417 14.888 -4.332 1.00 0.00 O ATOM 657 CB LYS A 41 7.166 13.877 -2.877 1.00 0.00 C ATOM 658 CG LYS A 41 7.693 13.063 -4.061 1.00 0.00 C ATOM 659 CD LYS A 41 9.043 13.603 -4.540 1.00 0.00 C ATOM 660 CE LYS A 41 8.853 14.749 -5.535 1.00 0.00 C ATOM 661 NZ LYS A 41 9.725 14.561 -6.715 1.00 0.00 N ATOM 0 H LYS A 41 6.207 11.725 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 41 5.332 14.455 -2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.367 14.936 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.695 13.589 -1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.798 12.018 -3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.973 13.096 -4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.623 13.951 -3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.614 12.801 -5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.810 14.796 -5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.084 15.699 -5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.583 15.348 -7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.720 14.539 -6.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.486 13.664 -7.184 1.00 0.00 H new ATOM 675 N GLY A 42 4.684 12.666 -4.654 1.00 0.00 N ATOM 676 CA GLY A 42 3.937 12.643 -5.900 1.00 0.00 C ATOM 677 C GLY A 42 2.565 13.298 -5.728 1.00 0.00 C ATOM 678 O GLY A 42 2.172 13.643 -4.614 1.00 0.00 O ATOM 0 H GLY A 42 5.050 11.760 -4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.499 13.165 -6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.813 11.613 -6.235 1.00 0.00 H new ATOM 682 N MET A 43 1.872 13.450 -6.847 1.00 0.00 N ATOM 683 CA MET A 43 0.552 14.057 -6.835 1.00 0.00 C ATOM 684 C MET A 43 -0.441 13.192 -6.056 1.00 0.00 C ATOM 685 O MET A 43 -1.534 13.646 -5.720 1.00 0.00 O ATOM 686 CB MET A 43 0.058 14.235 -8.272 1.00 0.00 C ATOM 687 CG MET A 43 0.894 15.280 -9.013 1.00 0.00 C ATOM 688 SD MET A 43 -0.028 15.928 -10.398 1.00 0.00 S ATOM 689 CE MET A 43 0.809 15.101 -11.741 1.00 0.00 C ATOM 0 H MET A 43 2.200 13.163 -7.769 1.00 0.00 H new ATOM 0 HA MET A 43 0.623 15.028 -6.344 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.110 13.282 -8.799 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.989 14.539 -8.266 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.164 16.089 -8.335 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.825 14.833 -9.362 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.356 15.395 -12.688 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.863 15.381 -11.740 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.720 14.022 -11.616 1.00 0.00 H new ATOM 699 N SER A 44 -0.026 11.962 -5.791 1.00 0.00 N ATOM 700 CA SER A 44 -0.866 11.030 -5.059 1.00 0.00 C ATOM 701 C SER A 44 -0.417 10.959 -3.598 1.00 0.00 C ATOM 702 O SER A 44 0.536 10.253 -3.271 1.00 0.00 O ATOM 703 CB SER A 44 -0.829 9.639 -5.694 1.00 0.00 C ATOM 704 OG SER A 44 -1.033 9.690 -7.103 1.00 0.00 O ATOM 0 H SER A 44 0.881 11.589 -6.070 1.00 0.00 H new ATOM 0 HA SER A 44 -1.894 11.390 -5.100 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.132 9.170 -5.484 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.596 9.012 -5.239 1.00 0.00 H new ATOM 0 HG SER A 44 -1.001 8.782 -7.471 1.00 0.00 H new ATOM 710 N THR A 45 -1.126 11.699 -2.757 1.00 0.00 N ATOM 711 CA THR A 45 -0.812 11.728 -1.339 1.00 0.00 C ATOM 712 C THR A 45 -1.345 10.471 -0.649 1.00 0.00 C ATOM 713 O THR A 45 -2.129 9.724 -1.231 1.00 0.00 O ATOM 714 CB THR A 45 -1.376 13.026 -0.757 1.00 0.00 C ATOM 715 OG1 THR A 45 -2.766 12.969 -1.065 1.00 0.00 O ATOM 716 CG2 THR A 45 -0.880 14.267 -1.503 1.00 0.00 C ATOM 0 H THR A 45 -1.916 12.283 -3.031 1.00 0.00 H new ATOM 0 HA THR A 45 0.265 11.720 -1.172 1.00 0.00 H new ATOM 0 HB THR A 45 -1.101 13.101 0.295 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.210 13.772 -0.722 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.310 15.160 -1.050 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.207 14.317 -1.443 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.183 14.209 -2.548 1.00 0.00 H new ATOM 724 N LEU A 46 -0.898 10.276 0.583 1.00 0.00 N ATOM 725 CA LEU A 46 -1.320 9.122 1.359 1.00 0.00 C ATOM 726 C LEU A 46 -2.845 9.015 1.317 1.00 0.00 C ATOM 727 O LEU A 46 -3.389 8.055 0.774 1.00 0.00 O ATOM 728 CB LEU A 46 -0.747 9.191 2.776 1.00 0.00 C ATOM 729 CG LEU A 46 -0.693 7.868 3.542 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.012 7.602 4.270 1.00 0.00 C ATOM 731 CD2 LEU A 46 -0.307 6.713 2.616 1.00 0.00 C ATOM 0 H LEU A 46 -0.248 10.898 1.063 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.924 8.205 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.263 9.597 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.342 9.898 3.353 1.00 0.00 H new ATOM 0 HG LEU A 46 0.085 7.945 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.947 6.655 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.206 8.408 4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.824 7.553 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.276 5.784 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.044 6.624 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.675 6.906 2.183 1.00 0.00 H new ATOM 743 N ASP A 47 -3.493 10.015 1.897 1.00 0.00 N ATOM 744 CA ASP A 47 -4.945 10.045 1.932 1.00 0.00 C ATOM 745 C ASP A 47 -5.493 9.673 0.553 1.00 0.00 C ATOM 746 O ASP A 47 -6.402 8.852 0.443 1.00 0.00 O ATOM 747 CB ASP A 47 -5.459 11.443 2.283 1.00 0.00 C ATOM 748 CG ASP A 47 -6.013 11.591 3.702 1.00 0.00 C ATOM 749 OD1 ASP A 47 -6.898 10.780 4.052 1.00 0.00 O ATOM 750 OD2 ASP A 47 -5.540 12.511 4.403 1.00 0.00 O ATOM 0 H ASP A 47 -3.039 10.810 2.346 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.278 9.337 2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.646 12.157 2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.241 11.715 1.574 1.00 0.00 H new ATOM 755 N GLU A 48 -4.916 10.295 -0.465 1.00 0.00 N ATOM 756 CA GLU A 48 -5.335 10.040 -1.833 1.00 0.00 C ATOM 757 C GLU A 48 -5.174 8.556 -2.169 1.00 0.00 C ATOM 758 O GLU A 48 -6.068 7.947 -2.754 1.00 0.00 O ATOM 759 CB GLU A 48 -4.554 10.913 -2.817 1.00 0.00 C ATOM 760 CG GLU A 48 -5.452 11.994 -3.422 1.00 0.00 C ATOM 761 CD GLU A 48 -4.983 12.372 -4.829 1.00 0.00 C ATOM 762 OE1 GLU A 48 -4.869 11.443 -5.657 1.00 0.00 O ATOM 763 OE2 GLU A 48 -4.750 13.581 -5.043 1.00 0.00 O ATOM 0 H GLU A 48 -4.162 10.975 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.389 10.301 -1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.711 11.379 -2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.141 10.292 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.481 11.637 -3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.445 12.877 -2.783 1.00 0.00 H new ATOM 770 N LEU A 49 -4.027 8.016 -1.783 1.00 0.00 N ATOM 771 CA LEU A 49 -3.737 6.614 -2.037 1.00 0.00 C ATOM 772 C LEU A 49 -4.752 5.746 -1.290 1.00 0.00 C ATOM 773 O LEU A 49 -5.450 4.937 -1.901 1.00 0.00 O ATOM 774 CB LEU A 49 -2.282 6.297 -1.688 1.00 0.00 C ATOM 775 CG LEU A 49 -1.447 5.667 -2.805 1.00 0.00 C ATOM 776 CD1 LEU A 49 -0.562 6.714 -3.485 1.00 0.00 C ATOM 777 CD2 LEU A 49 -0.632 4.483 -2.280 1.00 0.00 C ATOM 0 H LEU A 49 -3.288 8.523 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.842 6.388 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.795 7.220 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.273 5.624 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.128 5.279 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.021 6.240 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.188 7.496 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.112 7.153 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.048 4.054 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.040 4.824 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.306 3.726 -1.879 1.00 0.00 H new ATOM 789 N PHE A 50 -4.801 5.942 0.019 1.00 0.00 N ATOM 790 CA PHE A 50 -5.718 5.186 0.855 1.00 0.00 C ATOM 791 C PHE A 50 -7.072 5.011 0.163 1.00 0.00 C ATOM 792 O PHE A 50 -7.589 3.898 0.075 1.00 0.00 O ATOM 793 CB PHE A 50 -5.917 5.989 2.141 1.00 0.00 C ATOM 794 CG PHE A 50 -6.695 5.244 3.227 1.00 0.00 C ATOM 795 CD1 PHE A 50 -6.402 3.945 3.504 1.00 0.00 C ATOM 796 CD2 PHE A 50 -7.681 5.880 3.915 1.00 0.00 C ATOM 797 CE1 PHE A 50 -7.125 3.253 4.511 1.00 0.00 C ATOM 798 CE2 PHE A 50 -8.404 5.188 4.923 1.00 0.00 C ATOM 799 CZ PHE A 50 -8.110 3.889 5.200 1.00 0.00 C ATOM 0 H PHE A 50 -4.221 6.613 0.522 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.310 4.195 1.053 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.941 6.270 2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.442 6.914 1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.619 3.440 2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.914 6.911 3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.893 2.221 4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.187 5.693 5.469 1.00 0.00 H new ATOM 0 HZ PHE A 50 -8.659 3.363 5.967 1.00 0.00 H new ATOM 809 N GLU A 51 -7.608 6.126 -0.310 1.00 0.00 N ATOM 810 CA GLU A 51 -8.892 6.110 -0.990 1.00 0.00 C ATOM 811 C GLU A 51 -8.737 5.538 -2.401 1.00 0.00 C ATOM 812 O GLU A 51 -9.559 4.737 -2.843 1.00 0.00 O ATOM 813 CB GLU A 51 -9.509 7.509 -1.031 1.00 0.00 C ATOM 814 CG GLU A 51 -10.963 7.481 -0.555 1.00 0.00 C ATOM 815 CD GLU A 51 -11.522 8.899 -0.419 1.00 0.00 C ATOM 816 OE1 GLU A 51 -11.439 9.640 -1.421 1.00 0.00 O ATOM 817 OE2 GLU A 51 -12.021 9.208 0.685 1.00 0.00 O ATOM 0 H GLU A 51 -7.176 7.047 -0.236 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.570 5.467 -0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.930 8.185 -0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.463 7.901 -2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.570 6.913 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.026 6.968 0.405 1.00 0.00 H new ATOM 824 N GLU A 52 -7.678 5.972 -3.068 1.00 0.00 N ATOM 825 CA GLU A 52 -7.405 5.513 -4.420 1.00 0.00 C ATOM 826 C GLU A 52 -7.324 3.986 -4.455 1.00 0.00 C ATOM 827 O GLU A 52 -8.070 3.338 -5.189 1.00 0.00 O ATOM 828 CB GLU A 52 -6.121 6.143 -4.964 1.00 0.00 C ATOM 829 CG GLU A 52 -5.935 5.814 -6.446 1.00 0.00 C ATOM 830 CD GLU A 52 -4.552 5.212 -6.705 1.00 0.00 C ATOM 831 OE1 GLU A 52 -3.565 5.956 -6.517 1.00 0.00 O ATOM 832 OE2 GLU A 52 -4.514 4.022 -7.084 1.00 0.00 O ATOM 0 H GLU A 52 -6.999 6.637 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.226 5.829 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.157 7.224 -4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.264 5.779 -4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.706 5.113 -6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.059 6.719 -7.041 1.00 0.00 H new ATOM 839 N LEU A 53 -6.412 3.454 -3.655 1.00 0.00 N ATOM 840 CA LEU A 53 -6.224 2.015 -3.585 1.00 0.00 C ATOM 841 C LEU A 53 -7.564 1.345 -3.276 1.00 0.00 C ATOM 842 O LEU A 53 -7.994 0.446 -3.997 1.00 0.00 O ATOM 843 CB LEU A 53 -5.117 1.667 -2.589 1.00 0.00 C ATOM 844 CG LEU A 53 -3.765 2.343 -2.825 1.00 0.00 C ATOM 845 CD1 LEU A 53 -3.003 2.520 -1.509 1.00 0.00 C ATOM 846 CD2 LEU A 53 -2.943 1.578 -3.864 1.00 0.00 C ATOM 0 H LEU A 53 -5.795 3.994 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.888 1.627 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.461 1.928 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.968 0.587 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.947 3.339 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.046 3.003 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.589 3.139 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.831 1.545 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.987 2.080 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.768 0.561 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.487 1.547 -4.808 1.00 0.00 H new ATOM 858 N ASP A 54 -8.187 1.808 -2.202 1.00 0.00 N ATOM 859 CA ASP A 54 -9.469 1.264 -1.788 1.00 0.00 C ATOM 860 C ASP A 54 -10.551 1.716 -2.770 1.00 0.00 C ATOM 861 O ASP A 54 -11.101 2.808 -2.633 1.00 0.00 O ATOM 862 CB ASP A 54 -9.856 1.764 -0.395 1.00 0.00 C ATOM 863 CG ASP A 54 -11.266 1.384 0.061 1.00 0.00 C ATOM 864 OD1 ASP A 54 -11.864 0.515 -0.610 1.00 0.00 O ATOM 865 OD2 ASP A 54 -11.715 1.972 1.069 1.00 0.00 O ATOM 0 H ASP A 54 -7.828 2.554 -1.606 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.384 0.177 -1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.139 1.372 0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.765 2.850 -0.377 1.00 0.00 H new ATOM 947 N VAL A 61 -7.364 -1.057 2.751 1.00 0.00 N ATOM 948 CA VAL A 61 -6.677 -1.440 1.530 1.00 0.00 C ATOM 949 C VAL A 61 -6.403 -2.945 1.555 1.00 0.00 C ATOM 950 O VAL A 61 -6.321 -3.547 2.624 1.00 0.00 O ATOM 951 CB VAL A 61 -5.407 -0.604 1.360 1.00 0.00 C ATOM 952 CG1 VAL A 61 -4.722 -0.912 0.027 1.00 0.00 C ATOM 953 CG2 VAL A 61 -5.712 0.889 1.488 1.00 0.00 C ATOM 0 HA VAL A 61 -7.302 -1.238 0.660 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.718 -0.875 2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.822 -0.304 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.453 -1.968 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.403 -0.684 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.792 1.460 1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.428 1.181 0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.134 1.091 2.473 1.00 0.00 H new ATOM 963 N SER A 62 -6.270 -3.510 0.364 1.00 0.00 N ATOM 964 CA SER A 62 -6.007 -4.933 0.235 1.00 0.00 C ATOM 965 C SER A 62 -4.824 -5.164 -0.708 1.00 0.00 C ATOM 966 O SER A 62 -4.513 -4.312 -1.539 1.00 0.00 O ATOM 967 CB SER A 62 -7.243 -5.678 -0.272 1.00 0.00 C ATOM 968 OG SER A 62 -8.072 -4.848 -1.082 1.00 0.00 O ATOM 0 H SER A 62 -6.340 -3.008 -0.521 1.00 0.00 H new ATOM 0 HA SER A 62 -5.759 -5.325 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.930 -6.550 -0.847 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.818 -6.046 0.578 1.00 0.00 H new ATOM 0 HG SER A 62 -8.849 -5.361 -1.387 1.00 0.00 H new ATOM 974 N PHE A 63 -4.198 -6.320 -0.548 1.00 0.00 N ATOM 975 CA PHE A 63 -3.056 -6.674 -1.374 1.00 0.00 C ATOM 976 C PHE A 63 -3.368 -6.465 -2.858 1.00 0.00 C ATOM 977 O PHE A 63 -2.634 -5.769 -3.558 1.00 0.00 O ATOM 978 CB PHE A 63 -2.769 -8.156 -1.130 1.00 0.00 C ATOM 979 CG PHE A 63 -1.509 -8.670 -1.829 1.00 0.00 C ATOM 980 CD1 PHE A 63 -0.365 -7.936 -1.793 1.00 0.00 C ATOM 981 CD2 PHE A 63 -1.533 -9.860 -2.487 1.00 0.00 C ATOM 982 CE1 PHE A 63 0.805 -8.412 -2.442 1.00 0.00 C ATOM 983 CE2 PHE A 63 -0.363 -10.336 -3.136 1.00 0.00 C ATOM 984 CZ PHE A 63 0.781 -9.602 -3.100 1.00 0.00 C ATOM 0 H PHE A 63 -4.460 -7.024 0.142 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.202 -6.047 -1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.671 -8.325 -0.058 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.624 -8.741 -1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.346 -6.991 -1.271 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.442 -10.443 -2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.714 -7.829 -2.413 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.382 -11.281 -3.658 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.671 -9.964 -3.594 1.00 0.00 H new ATOM 994 N GLU A 64 -4.458 -7.079 -3.293 1.00 0.00 N ATOM 995 CA GLU A 64 -4.876 -6.969 -4.680 1.00 0.00 C ATOM 996 C GLU A 64 -5.044 -5.499 -5.069 1.00 0.00 C ATOM 997 O GLU A 64 -4.446 -5.037 -6.039 1.00 0.00 O ATOM 998 CB GLU A 64 -6.166 -7.753 -4.928 1.00 0.00 C ATOM 999 CG GLU A 64 -7.283 -7.281 -3.995 1.00 0.00 C ATOM 1000 CD GLU A 64 -8.415 -8.308 -3.932 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -8.101 -9.509 -4.076 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -9.570 -7.868 -3.741 1.00 0.00 O ATOM 0 H GLU A 64 -5.065 -7.655 -2.709 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.099 -7.404 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.477 -7.629 -5.965 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.984 -8.817 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.881 -7.116 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.673 -6.325 -4.344 1.00 0.00 H new ATOM 1009 N GLU A 65 -5.862 -4.805 -4.291 1.00 0.00 N ATOM 1010 CA GLU A 65 -6.117 -3.396 -4.542 1.00 0.00 C ATOM 1011 C GLU A 65 -4.810 -2.603 -4.493 1.00 0.00 C ATOM 1012 O GLU A 65 -4.667 -1.592 -5.179 1.00 0.00 O ATOM 1013 CB GLU A 65 -7.135 -2.837 -3.545 1.00 0.00 C ATOM 1014 CG GLU A 65 -8.562 -3.212 -3.951 1.00 0.00 C ATOM 1015 CD GLU A 65 -9.576 -2.236 -3.351 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -9.669 -2.209 -2.105 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -10.235 -1.539 -4.152 1.00 0.00 O ATOM 0 H GLU A 65 -6.357 -5.192 -3.487 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.543 -3.296 -5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.923 -3.223 -2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.041 -1.752 -3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.648 -3.209 -5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.785 -4.225 -3.617 1.00 0.00 H new ATOM 1024 N PHE A 66 -3.888 -3.093 -3.676 1.00 0.00 N ATOM 1025 CA PHE A 66 -2.597 -2.442 -3.530 1.00 0.00 C ATOM 1026 C PHE A 66 -1.683 -2.763 -4.714 1.00 0.00 C ATOM 1027 O PHE A 66 -0.959 -1.894 -5.198 1.00 0.00 O ATOM 1028 CB PHE A 66 -1.964 -2.990 -2.249 1.00 0.00 C ATOM 1029 CG PHE A 66 -0.532 -2.507 -2.007 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -0.279 -1.180 -1.853 1.00 0.00 C ATOM 1031 CD2 PHE A 66 0.487 -3.405 -1.947 1.00 0.00 C ATOM 1032 CE1 PHE A 66 1.050 -0.732 -1.629 1.00 0.00 C ATOM 1033 CE2 PHE A 66 1.816 -2.957 -1.722 1.00 0.00 C ATOM 1034 CZ PHE A 66 2.069 -1.630 -1.568 1.00 0.00 C ATOM 0 H PHE A 66 -4.010 -3.932 -3.109 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.728 -1.361 -3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.582 -2.702 -1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.967 -4.079 -2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.089 -0.467 -1.901 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.286 -4.459 -2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.251 0.322 -1.507 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.625 -3.670 -1.673 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.080 -1.289 -1.397 1.00 0.00 H new ATOM 1044 N GLN A 67 -1.747 -4.014 -5.147 1.00 0.00 N ATOM 1045 CA GLN A 67 -0.934 -4.460 -6.266 1.00 0.00 C ATOM 1046 C GLN A 67 -1.026 -3.461 -7.421 1.00 0.00 C ATOM 1047 O GLN A 67 -0.098 -3.344 -8.220 1.00 0.00 O ATOM 1048 CB GLN A 67 -1.348 -5.862 -6.719 1.00 0.00 C ATOM 1049 CG GLN A 67 -1.114 -6.889 -5.609 1.00 0.00 C ATOM 1050 CD GLN A 67 -0.277 -8.064 -6.118 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -0.621 -9.238 -5.596 1.00 0.00 O flip ATOM 1052 NE2 GLN A 67 0.621 -7.915 -6.930 1.00 0.00 N flip ATOM 0 H GLN A 67 -2.349 -4.732 -4.743 1.00 0.00 H new ATOM 0 HA GLN A 67 0.104 -4.511 -5.938 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.401 -5.861 -7.002 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.780 -6.144 -7.606 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.607 -6.413 -4.769 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.072 -7.254 -5.238 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.833 -6.985 -7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.160 -8.721 -7.248 1.00 0.00 H new ATOM 1061 N VAL A 68 -2.153 -2.767 -7.472 1.00 0.00 N ATOM 1062 CA VAL A 68 -2.378 -1.781 -8.516 1.00 0.00 C ATOM 1063 C VAL A 68 -1.309 -0.691 -8.421 1.00 0.00 C ATOM 1064 O VAL A 68 -0.867 -0.160 -9.439 1.00 0.00 O ATOM 1065 CB VAL A 68 -3.803 -1.232 -8.419 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -4.009 -0.068 -9.391 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -4.834 -2.336 -8.659 1.00 0.00 C ATOM 0 H VAL A 68 -2.920 -2.868 -6.808 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.287 -2.240 -9.501 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.948 -0.853 -7.407 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.030 0.304 -9.302 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.309 0.733 -9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.835 -0.411 -10.411 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.838 -1.919 -8.584 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.690 -2.759 -9.653 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.710 -3.119 -7.911 1.00 0.00 H new ATOM 1077 N LEU A 69 -0.924 -0.390 -7.190 1.00 0.00 N ATOM 1078 CA LEU A 69 0.086 0.627 -6.949 1.00 0.00 C ATOM 1079 C LEU A 69 1.473 0.029 -7.187 1.00 0.00 C ATOM 1080 O LEU A 69 2.332 0.666 -7.796 1.00 0.00 O ATOM 1081 CB LEU A 69 -0.091 1.237 -5.557 1.00 0.00 C ATOM 1082 CG LEU A 69 0.829 2.412 -5.219 1.00 0.00 C ATOM 1083 CD1 LEU A 69 0.179 3.744 -5.596 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.248 2.375 -3.747 1.00 0.00 C ATOM 0 H LEU A 69 -1.293 -0.832 -6.348 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.029 1.453 -7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.124 1.569 -5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.066 0.453 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 69 1.737 2.317 -5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.854 4.562 -5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.027 3.758 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.754 3.862 -5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.901 3.221 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.362 2.432 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.780 1.445 -3.543 1.00 0.00 H new ATOM 1096 N VAL A 70 1.651 -1.189 -6.695 1.00 0.00 N ATOM 1097 CA VAL A 70 2.920 -1.880 -6.846 1.00 0.00 C ATOM 1098 C VAL A 70 3.322 -1.881 -8.322 1.00 0.00 C ATOM 1099 O VAL A 70 4.468 -1.585 -8.657 1.00 0.00 O ATOM 1100 CB VAL A 70 2.824 -3.286 -6.252 1.00 0.00 C ATOM 1101 CG1 VAL A 70 3.814 -4.236 -6.928 1.00 0.00 C ATOM 1102 CG2 VAL A 70 3.039 -3.257 -4.737 1.00 0.00 C ATOM 0 H VAL A 70 0.937 -1.715 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 70 3.705 -1.362 -6.295 1.00 0.00 H new ATOM 0 HB VAL A 70 1.818 -3.661 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.725 -5.229 -6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.595 -4.292 -7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.829 -3.865 -6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.966 -4.269 -4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.027 -2.852 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.278 -2.629 -4.273 1.00 0.00 H new ATOM 1112 N LYS A 71 2.357 -2.216 -9.165 1.00 0.00 N ATOM 1113 CA LYS A 71 2.596 -2.260 -10.598 1.00 0.00 C ATOM 1114 C LYS A 71 3.152 -0.911 -11.059 1.00 0.00 C ATOM 1115 O LYS A 71 4.093 -0.861 -11.849 1.00 0.00 O ATOM 1116 CB LYS A 71 1.328 -2.688 -11.340 1.00 0.00 C ATOM 1117 CG LYS A 71 1.669 -3.578 -12.537 1.00 0.00 C ATOM 1118 CD LYS A 71 1.014 -3.051 -13.816 1.00 0.00 C ATOM 1119 CE LYS A 71 -0.192 -3.908 -14.207 1.00 0.00 C ATOM 1120 NZ LYS A 71 -0.396 -3.876 -15.673 1.00 0.00 N ATOM 0 H LYS A 71 1.407 -2.460 -8.883 1.00 0.00 H new ATOM 0 HA LYS A 71 3.347 -3.014 -10.836 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.667 -3.225 -10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.786 -1.806 -11.681 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.750 -3.619 -12.668 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.332 -4.597 -12.345 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.698 -2.018 -13.668 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.742 -3.049 -14.627 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.038 -4.936 -13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.085 -3.542 -13.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.218 -4.462 -15.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.564 -2.896 -15.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.451 -4.247 -16.150 1.00 0.00 H new ATOM 1134 N LYS A 72 2.546 0.150 -10.545 1.00 0.00 N ATOM 1135 CA LYS A 72 2.969 1.495 -10.894 1.00 0.00 C ATOM 1136 C LYS A 72 4.332 1.778 -10.258 1.00 0.00 C ATOM 1137 O LYS A 72 5.114 2.568 -10.784 1.00 0.00 O ATOM 1138 CB LYS A 72 1.890 2.512 -10.514 1.00 0.00 C ATOM 1139 CG LYS A 72 0.627 2.310 -11.353 1.00 0.00 C ATOM 1140 CD LYS A 72 0.833 2.811 -12.784 1.00 0.00 C ATOM 1141 CE LYS A 72 -0.410 3.542 -13.293 1.00 0.00 C ATOM 1142 NZ LYS A 72 -1.312 2.604 -13.998 1.00 0.00 N ATOM 0 H LYS A 72 1.766 0.105 -9.890 1.00 0.00 H new ATOM 0 HA LYS A 72 3.095 1.586 -11.973 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.648 2.413 -9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.270 3.523 -10.660 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.362 1.253 -11.369 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.207 2.841 -10.895 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.693 3.480 -12.819 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.058 1.969 -13.439 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.936 4.002 -12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.115 4.347 -13.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.151 3.117 -14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.812 2.184 -14.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.608 1.850 -13.345 1.00 0.00 H new ATOM 1156 N ILE A 73 4.574 1.118 -9.135 1.00 0.00 N ATOM 1157 CA ILE A 73 5.828 1.288 -8.422 1.00 0.00 C ATOM 1158 C ILE A 73 6.939 0.546 -9.168 1.00 0.00 C ATOM 1159 O ILE A 73 8.021 1.091 -9.380 1.00 0.00 O ATOM 1160 CB ILE A 73 5.676 0.860 -6.961 1.00 0.00 C ATOM 1161 CG1 ILE A 73 4.958 1.937 -6.146 1.00 0.00 C ATOM 1162 CG2 ILE A 73 7.031 0.490 -6.355 1.00 0.00 C ATOM 1163 CD1 ILE A 73 4.199 1.320 -4.969 1.00 0.00 C ATOM 0 H ILE A 73 3.922 0.464 -8.701 1.00 0.00 H new ATOM 0 HA ILE A 73 6.110 2.340 -8.394 1.00 0.00 H new ATOM 0 HB ILE A 73 5.054 -0.035 -6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.683 2.662 -5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.263 2.480 -6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.895 0.189 -5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.468 -0.335 -6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.697 1.352 -6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.698 2.108 -4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.458 0.614 -5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.900 0.798 -4.317 1.00 0.00 H new ATOM 1175 N SER A 74 6.633 -0.687 -9.546 1.00 0.00 N ATOM 1176 CA SER A 74 7.592 -1.509 -10.264 1.00 0.00 C ATOM 1177 C SER A 74 7.734 -1.011 -11.703 1.00 0.00 C ATOM 1178 O SER A 74 8.839 -0.716 -12.155 1.00 0.00 O ATOM 1179 CB SER A 74 7.174 -2.981 -10.249 1.00 0.00 C ATOM 1180 OG SER A 74 8.268 -3.843 -9.946 1.00 0.00 O ATOM 0 H SER A 74 5.735 -1.136 -9.368 1.00 0.00 H new ATOM 0 HA SER A 74 8.556 -1.428 -9.763 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.383 -3.126 -9.513 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.759 -3.250 -11.220 1.00 0.00 H new ATOM 0 HG SER A 74 7.961 -4.774 -9.944 1.00 0.00 H new ATOM 1186 N GLN A 75 6.599 -0.934 -12.383 1.00 0.00 N ATOM 1187 CA GLN A 75 6.584 -0.477 -13.763 1.00 0.00 C ATOM 1188 C GLN A 75 6.834 1.031 -13.825 1.00 0.00 C ATOM 1189 O GLN A 75 7.974 1.469 -13.975 1.00 0.00 O ATOM 1190 CB GLN A 75 5.265 -0.843 -14.446 1.00 0.00 C ATOM 1191 CG GLN A 75 5.512 -1.421 -15.841 1.00 0.00 C ATOM 1192 CD GLN A 75 4.988 -2.855 -15.942 1.00 0.00 C ATOM 1193 OE1 GLN A 75 4.173 -3.188 -16.786 1.00 0.00 O ATOM 1194 NE2 GLN A 75 5.501 -3.682 -15.035 1.00 0.00 N ATOM 0 H GLN A 75 5.684 -1.180 -12.005 1.00 0.00 H new ATOM 0 HA GLN A 75 7.387 -0.981 -14.302 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.726 -1.569 -13.838 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.633 0.042 -14.522 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.022 -0.798 -16.589 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.579 -1.404 -16.062 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.180 -3.337 -14.356 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.215 -4.661 -15.018 1.00 0.00 H new