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 Single : A 2 SER OG : rot 180:sc= -3.15! 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 169:sc= -6.44! USER MOD Single : A 16 LYS NZ :NH3+ -155:sc= 0.164 (180deg=-1.23!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -9.79! C(o=-9.8!,f=-16!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.274 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= -2.76! K(o=-2.8!,f=-1.3) USER MOD Single : A 34 THR OG1 : rot -160:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.15 K(o=-2.1,f=-0.36) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 71 LYS NZ :NH3+ -161:sc=-0.00496 (180deg=-0.238) USER MOD Single : A 72 LYS NZ :NH3+ -123:sc= 0.00256 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.103 USER MOD Single : A 75 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 2 10.119 7.165 6.236 1.00 0.00 N ATOM 41 CA SER A 2 10.714 7.850 7.389 1.00 0.00 C ATOM 42 C SER A 2 11.870 6.934 7.801 1.00 0.00 C ATOM 43 O SER A 2 12.169 6.032 7.059 1.00 0.00 O ATOM 44 CB SER A 2 9.637 7.957 8.472 1.00 0.00 C ATOM 45 OG SER A 2 9.816 6.917 9.427 1.00 0.00 O ATOM 0 HA SER A 2 11.074 8.861 7.196 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.695 8.929 8.962 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.647 7.885 8.023 1.00 0.00 H new ATOM 0 HG SER A 2 9.127 6.987 10.120 1.00 0.00 H new ATOM 51 N PRO A 3 12.496 7.161 8.922 1.00 0.00 N ATOM 52 CA PRO A 3 13.628 6.304 9.354 1.00 0.00 C ATOM 53 C PRO A 3 13.275 4.786 9.339 1.00 0.00 C ATOM 54 O PRO A 3 13.093 4.191 10.383 1.00 0.00 O ATOM 55 CB PRO A 3 13.927 6.773 10.786 1.00 0.00 C ATOM 56 CG PRO A 3 13.103 8.061 11.045 1.00 0.00 C ATOM 57 CD PRO A 3 12.164 8.265 9.847 1.00 0.00 C ATOM 0 HA PRO A 3 14.478 6.402 8.679 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.661 5.998 11.505 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.992 6.970 10.909 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.531 7.969 11.968 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.764 8.920 11.164 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.118 8.226 10.152 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.324 9.236 9.379 1.00 0.00 H new ATOM 65 N GLU A 4 13.202 4.135 8.178 1.00 0.00 N ATOM 66 CA GLU A 4 12.898 2.671 8.148 1.00 0.00 C ATOM 67 C GLU A 4 11.477 2.418 8.627 1.00 0.00 C ATOM 68 O GLU A 4 11.249 1.719 9.594 1.00 0.00 O ATOM 69 CB GLU A 4 13.881 1.925 9.050 1.00 0.00 C ATOM 70 CG GLU A 4 15.297 2.445 8.799 1.00 0.00 C ATOM 71 CD GLU A 4 16.268 1.774 9.772 1.00 0.00 C ATOM 72 OE1 GLU A 4 15.807 1.023 10.616 1.00 0.00 O ATOM 73 OE2 GLU A 4 17.457 2.021 9.656 1.00 0.00 O ATOM 0 H GLU A 4 13.341 4.565 7.264 1.00 0.00 H new ATOM 0 HA GLU A 4 12.995 2.312 7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.610 2.066 10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.834 0.854 8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.595 2.238 7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.326 3.527 8.928 1.00 0.00 H new ATOM 80 N GLU A 5 10.520 2.969 7.949 1.00 0.00 N ATOM 81 CA GLU A 5 9.111 2.750 8.356 1.00 0.00 C ATOM 82 C GLU A 5 8.271 2.302 7.155 1.00 0.00 C ATOM 83 O GLU A 5 7.293 1.598 7.311 1.00 0.00 O ATOM 84 CB GLU A 5 8.543 4.034 8.928 1.00 0.00 C ATOM 85 CG GLU A 5 8.001 3.765 10.334 1.00 0.00 C ATOM 86 CD GLU A 5 6.705 2.958 10.236 1.00 0.00 C ATOM 87 OE1 GLU A 5 6.751 1.866 9.694 1.00 0.00 O ATOM 88 OE2 GLU A 5 5.689 3.446 10.703 1.00 0.00 O ATOM 0 H GLU A 5 10.651 3.562 7.130 1.00 0.00 H new ATOM 0 HA GLU A 5 9.080 1.968 9.114 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.315 4.802 8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.748 4.411 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.739 3.218 10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.817 4.707 10.851 1.00 0.00 H new ATOM 95 N LEU A 6 8.631 2.690 5.956 1.00 0.00 N ATOM 96 CA LEU A 6 7.824 2.259 4.780 1.00 0.00 C ATOM 97 C LEU A 6 8.267 0.871 4.313 1.00 0.00 C ATOM 98 O LEU A 6 7.458 -0.026 4.208 1.00 0.00 O ATOM 99 CB LEU A 6 7.886 3.321 3.671 1.00 0.00 C ATOM 100 CG LEU A 6 8.114 2.717 2.299 1.00 0.00 C ATOM 101 CD1 LEU A 6 7.035 1.679 1.979 1.00 0.00 C ATOM 102 CD2 LEU A 6 8.077 3.819 1.244 1.00 0.00 C ATOM 0 H LEU A 6 9.437 3.278 5.745 1.00 0.00 H new ATOM 0 HA LEU A 6 6.776 2.171 5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.956 3.889 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.688 4.026 3.892 1.00 0.00 H new ATOM 0 HG LEU A 6 9.088 2.227 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.217 1.258 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.064 0.883 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.055 2.156 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.241 3.384 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.105 4.312 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.859 4.549 1.453 1.00 0.00 H new ATOM 114 N LYS A 7 9.525 0.660 4.026 1.00 0.00 N ATOM 115 CA LYS A 7 9.912 -0.702 3.570 1.00 0.00 C ATOM 116 C LYS A 7 9.339 -1.733 4.543 1.00 0.00 C ATOM 117 O LYS A 7 9.147 -2.883 4.202 1.00 0.00 O ATOM 118 CB LYS A 7 11.428 -0.849 3.490 1.00 0.00 C ATOM 119 CG LYS A 7 11.748 -1.865 2.389 1.00 0.00 C ATOM 120 CD LYS A 7 13.246 -2.171 2.377 1.00 0.00 C ATOM 121 CE LYS A 7 13.474 -3.563 1.781 1.00 0.00 C ATOM 122 NZ LYS A 7 13.653 -4.554 2.879 1.00 0.00 N ATOM 0 H LYS A 7 10.277 1.347 4.085 1.00 0.00 H new ATOM 0 HA LYS A 7 9.509 -0.865 2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.893 0.112 3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.829 -1.184 4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.183 -2.782 2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.441 -1.472 1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.777 -1.421 1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.646 -2.127 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.626 -3.846 1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.354 -3.555 1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.808 -5.499 2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.475 -4.287 3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.801 -4.569 3.475 1.00 0.00 H new ATOM 136 N GLY A 8 9.046 -1.327 5.750 1.00 0.00 N ATOM 137 CA GLY A 8 8.463 -2.280 6.731 1.00 0.00 C ATOM 138 C GLY A 8 7.021 -2.592 6.321 1.00 0.00 C ATOM 139 O GLY A 8 6.615 -3.736 6.266 1.00 0.00 O ATOM 0 H GLY A 8 9.186 -0.378 6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.053 -3.196 6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.486 -1.851 7.733 1.00 0.00 H new ATOM 143 N ILE A 9 6.242 -1.579 6.026 1.00 0.00 N ATOM 144 CA ILE A 9 4.830 -1.819 5.617 1.00 0.00 C ATOM 145 C ILE A 9 4.786 -2.870 4.516 1.00 0.00 C ATOM 146 O ILE A 9 4.076 -3.850 4.599 1.00 0.00 O ATOM 147 CB ILE A 9 4.205 -0.510 5.121 1.00 0.00 C ATOM 148 CG1 ILE A 9 2.709 -0.597 5.306 1.00 0.00 C ATOM 149 CG2 ILE A 9 4.484 -0.262 3.635 1.00 0.00 C ATOM 150 CD1 ILE A 9 2.248 0.512 6.254 1.00 0.00 C ATOM 0 H ILE A 9 6.526 -0.600 6.052 1.00 0.00 H new ATOM 0 HA ILE A 9 4.262 -2.180 6.474 1.00 0.00 H new ATOM 0 HB ILE A 9 4.643 0.308 5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.206 -0.500 4.344 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.438 -1.572 5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.021 0.677 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.560 -0.206 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.069 -1.080 3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.168 0.450 6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.741 0.394 7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.506 1.483 5.831 1.00 0.00 H new ATOM 162 N PHE A 10 5.548 -2.676 3.492 1.00 0.00 N ATOM 163 CA PHE A 10 5.568 -3.665 2.396 1.00 0.00 C ATOM 164 C PHE A 10 5.885 -5.078 2.900 1.00 0.00 C ATOM 165 O PHE A 10 5.083 -5.978 2.791 1.00 0.00 O ATOM 166 CB PHE A 10 6.567 -3.234 1.330 1.00 0.00 C ATOM 167 CG PHE A 10 5.844 -2.957 0.062 1.00 0.00 C ATOM 168 CD1 PHE A 10 4.779 -2.060 -0.019 1.00 0.00 C ATOM 169 CD2 PHE A 10 6.233 -3.693 -1.044 1.00 0.00 C ATOM 170 CE1 PHE A 10 4.104 -1.916 -1.239 1.00 0.00 C ATOM 171 CE2 PHE A 10 5.575 -3.538 -2.248 1.00 0.00 C ATOM 172 CZ PHE A 10 4.520 -2.668 -2.349 1.00 0.00 C ATOM 0 H PHE A 10 6.162 -1.871 3.365 1.00 0.00 H new ATOM 0 HA PHE A 10 4.570 -3.702 1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.104 -2.344 1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.310 -4.016 1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.479 -1.485 0.845 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.054 -4.391 -0.965 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.272 -1.233 -1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.892 -4.103 -3.112 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.004 -2.560 -3.292 1.00 0.00 H new ATOM 182 N GLU A 11 7.030 -5.281 3.466 1.00 0.00 N ATOM 183 CA GLU A 11 7.377 -6.639 3.986 1.00 0.00 C ATOM 184 C GLU A 11 6.360 -7.047 5.059 1.00 0.00 C ATOM 185 O GLU A 11 6.336 -8.169 5.520 1.00 0.00 O ATOM 186 CB GLU A 11 8.778 -6.607 4.603 1.00 0.00 C ATOM 187 CG GLU A 11 9.824 -6.463 3.495 1.00 0.00 C ATOM 188 CD GLU A 11 10.412 -7.837 3.169 1.00 0.00 C ATOM 189 OE1 GLU A 11 9.752 -8.592 2.473 1.00 0.00 O ATOM 190 OE2 GLU A 11 11.513 -8.111 3.618 1.00 0.00 O ATOM 0 H GLU A 11 7.749 -4.570 3.596 1.00 0.00 H new ATOM 0 HA GLU A 11 7.356 -7.358 3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.859 -5.776 5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.958 -7.520 5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.369 -6.029 2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.615 -5.783 3.812 1.00 0.00 H new ATOM 197 N LYS A 12 5.526 -6.134 5.453 1.00 0.00 N ATOM 198 CA LYS A 12 4.490 -6.435 6.484 1.00 0.00 C ATOM 199 C LYS A 12 3.265 -7.031 5.794 1.00 0.00 C ATOM 200 O LYS A 12 3.056 -8.228 5.787 1.00 0.00 O ATOM 201 CB LYS A 12 4.102 -5.150 7.225 1.00 0.00 C ATOM 202 CG LYS A 12 3.091 -5.477 8.325 1.00 0.00 C ATOM 203 CD LYS A 12 3.825 -5.647 9.657 1.00 0.00 C ATOM 204 CE LYS A 12 3.299 -4.623 10.663 1.00 0.00 C ATOM 205 NZ LYS A 12 4.447 -3.938 11.323 1.00 0.00 N ATOM 0 H LYS A 12 5.514 -5.176 5.102 1.00 0.00 H new ATOM 0 HA LYS A 12 4.886 -7.148 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.988 -4.686 7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.675 -4.430 6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.352 -4.679 8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.549 -6.390 8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.678 -6.657 10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.897 -5.514 9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.668 -3.892 10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.679 -5.117 11.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.089 -3.241 12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.032 -4.641 11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.022 -3.453 10.604 1.00 0.00 H new ATOM 219 N TYR A 13 2.455 -6.191 5.204 1.00 0.00 N ATOM 220 CA TYR A 13 1.243 -6.678 4.500 1.00 0.00 C ATOM 221 C TYR A 13 1.637 -7.195 3.122 1.00 0.00 C ATOM 222 O TYR A 13 1.098 -8.171 2.641 1.00 0.00 O ATOM 223 CB TYR A 13 0.247 -5.528 4.346 1.00 0.00 C ATOM 224 CG TYR A 13 0.204 -4.740 5.626 1.00 0.00 C ATOM 225 CD1 TYR A 13 0.028 -5.398 6.847 1.00 0.00 C ATOM 226 CD2 TYR A 13 0.360 -3.353 5.595 1.00 0.00 C ATOM 227 CE1 TYR A 13 0.002 -4.666 8.036 1.00 0.00 C ATOM 228 CE2 TYR A 13 0.346 -2.623 6.784 1.00 0.00 C ATOM 229 CZ TYR A 13 0.166 -3.277 8.006 1.00 0.00 C ATOM 230 OH TYR A 13 0.169 -2.554 9.179 1.00 0.00 O ATOM 0 H TYR A 13 2.587 -5.180 5.182 1.00 0.00 H new ATOM 0 HA TYR A 13 0.783 -7.481 5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.542 -4.884 3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.744 -5.917 4.111 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.088 -6.472 6.871 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.491 -2.845 4.651 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.145 -5.172 8.979 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.474 -1.551 6.760 1.00 0.00 H new ATOM 0 HH TYR A 13 0.463 -1.637 8.997 1.00 0.00 H new ATOM 240 N ALA A 14 2.586 -6.570 2.478 1.00 0.00 N ATOM 241 CA ALA A 14 2.987 -7.080 1.142 1.00 0.00 C ATOM 242 C ALA A 14 3.617 -8.457 1.336 1.00 0.00 C ATOM 243 O ALA A 14 3.839 -9.184 0.391 1.00 0.00 O ATOM 244 CB ALA A 14 4.011 -6.125 0.487 1.00 0.00 C ATOM 0 H ALA A 14 3.089 -5.748 2.812 1.00 0.00 H new ATOM 0 HA ALA A 14 2.116 -7.144 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.295 -6.512 -0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.565 -5.137 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.896 -6.051 1.119 1.00 0.00 H new ATOM 250 N ASP A 15 3.933 -8.812 2.564 1.00 0.00 N ATOM 251 CA ASP A 15 4.589 -10.124 2.826 1.00 0.00 C ATOM 252 C ASP A 15 3.620 -11.087 3.516 1.00 0.00 C ATOM 253 O ASP A 15 3.864 -12.276 3.579 1.00 0.00 O ATOM 254 CB ASP A 15 5.785 -9.925 3.763 1.00 0.00 C ATOM 255 CG ASP A 15 6.745 -11.107 3.625 1.00 0.00 C ATOM 256 OD1 ASP A 15 6.318 -12.136 3.127 1.00 0.00 O ATOM 257 OD2 ASP A 15 7.889 -10.965 4.021 1.00 0.00 O ATOM 0 H ASP A 15 3.761 -8.243 3.393 1.00 0.00 H new ATOM 0 HA ASP A 15 4.906 -10.536 1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.299 -8.995 3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.442 -9.840 4.794 1.00 0.00 H new ATOM 262 N LYS A 16 2.539 -10.596 4.065 1.00 0.00 N ATOM 263 CA LYS A 16 1.605 -11.506 4.772 1.00 0.00 C ATOM 264 C LYS A 16 1.278 -12.697 3.876 1.00 0.00 C ATOM 265 O LYS A 16 1.181 -13.821 4.327 1.00 0.00 O ATOM 266 CB LYS A 16 0.337 -10.731 5.137 1.00 0.00 C ATOM 267 CG LYS A 16 -0.671 -10.764 3.986 1.00 0.00 C ATOM 268 CD LYS A 16 -1.707 -9.668 4.202 1.00 0.00 C ATOM 269 CE LYS A 16 -2.848 -10.202 5.070 1.00 0.00 C ATOM 270 NZ LYS A 16 -3.782 -10.997 4.225 1.00 0.00 N ATOM 0 H LYS A 16 2.269 -9.613 4.052 1.00 0.00 H new ATOM 0 HA LYS A 16 2.063 -11.882 5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.112 -11.161 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.592 -9.698 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.160 -10.617 3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.158 -11.738 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.244 -8.806 4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.096 -9.327 3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.449 -10.822 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.380 -9.375 5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.726 -11.002 4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.840 -10.572 3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.432 -11.973 4.145 1.00 0.00 H new ATOM 284 N GLU A 17 1.118 -12.455 2.612 1.00 0.00 N ATOM 285 CA GLU A 17 0.806 -13.571 1.676 1.00 0.00 C ATOM 286 C GLU A 17 1.141 -13.148 0.245 1.00 0.00 C ATOM 287 O GLU A 17 0.388 -12.446 -0.400 1.00 0.00 O ATOM 288 CB GLU A 17 -0.679 -13.933 1.775 1.00 0.00 C ATOM 289 CG GLU A 17 -1.534 -12.776 1.251 1.00 0.00 C ATOM 290 CD GLU A 17 -2.924 -12.835 1.887 1.00 0.00 C ATOM 291 OE1 GLU A 17 -3.057 -13.478 2.915 1.00 0.00 O ATOM 292 OE2 GLU A 17 -3.831 -12.238 1.332 1.00 0.00 O ATOM 0 H GLU A 17 1.189 -11.533 2.181 1.00 0.00 H new ATOM 0 HA GLU A 17 1.403 -14.443 1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.881 -14.836 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.941 -14.150 2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.057 -11.824 1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.617 -12.834 0.166 1.00 0.00 H new ATOM 299 N GLY A 18 2.265 -13.573 -0.264 1.00 0.00 N ATOM 300 CA GLY A 18 2.630 -13.194 -1.656 1.00 0.00 C ATOM 301 C GLY A 18 4.121 -12.866 -1.747 1.00 0.00 C ATOM 302 O GLY A 18 4.790 -13.284 -2.671 1.00 0.00 O ATOM 0 H GLY A 18 2.942 -14.162 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.389 -14.010 -2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.042 -12.332 -1.971 1.00 0.00 H new ATOM 306 N ASP A 19 4.653 -12.129 -0.802 1.00 0.00 N ATOM 307 CA ASP A 19 6.112 -11.790 -0.871 1.00 0.00 C ATOM 308 C ASP A 19 6.508 -10.723 0.156 1.00 0.00 C ATOM 309 O ASP A 19 7.184 -10.995 1.125 1.00 0.00 O ATOM 310 CB ASP A 19 6.449 -11.238 -2.257 1.00 0.00 C ATOM 311 CG ASP A 19 7.785 -11.815 -2.730 1.00 0.00 C ATOM 312 OD1 ASP A 19 7.810 -12.978 -3.095 1.00 0.00 O ATOM 313 OD2 ASP A 19 8.762 -11.083 -2.717 1.00 0.00 O ATOM 0 H ASP A 19 4.151 -11.752 0.002 1.00 0.00 H new ATOM 0 HA ASP A 19 6.659 -12.709 -0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.660 -11.496 -2.964 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.503 -10.150 -2.223 1.00 0.00 H new ATOM 318 N GLY A 20 6.140 -9.501 -0.099 1.00 0.00 N ATOM 319 CA GLY A 20 6.529 -8.372 0.801 1.00 0.00 C ATOM 320 C GLY A 20 7.000 -7.227 -0.090 1.00 0.00 C ATOM 321 O GLY A 20 7.038 -6.081 0.315 1.00 0.00 O ATOM 0 H GLY A 20 5.577 -9.228 -0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.684 -8.060 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.321 -8.679 1.484 1.00 0.00 H new ATOM 325 N ASN A 21 7.366 -7.530 -1.310 1.00 0.00 N ATOM 326 CA ASN A 21 7.834 -6.475 -2.226 1.00 0.00 C ATOM 327 C ASN A 21 6.731 -6.064 -3.217 1.00 0.00 C ATOM 328 O ASN A 21 6.999 -5.399 -4.199 1.00 0.00 O ATOM 329 CB ASN A 21 9.026 -7.010 -2.999 1.00 0.00 C ATOM 330 CG ASN A 21 10.295 -6.853 -2.158 1.00 0.00 C ATOM 331 OD1 ASN A 21 10.913 -5.806 -2.157 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.713 -7.858 -1.436 1.00 0.00 N ATOM 0 H ASN A 21 7.357 -8.471 -1.702 1.00 0.00 H new ATOM 0 HA ASN A 21 8.108 -5.596 -1.643 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.870 -8.060 -3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.133 -6.472 -3.941 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.557 -7.764 -0.872 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.195 -8.737 -1.436 1.00 0.00 H new ATOM 339 N GLN A 22 5.494 -6.416 -2.958 1.00 0.00 N ATOM 340 CA GLN A 22 4.367 -6.007 -3.859 1.00 0.00 C ATOM 341 C GLN A 22 3.067 -6.013 -3.034 1.00 0.00 C ATOM 342 O GLN A 22 2.815 -6.912 -2.256 1.00 0.00 O ATOM 343 CB GLN A 22 4.224 -6.961 -5.056 1.00 0.00 C ATOM 344 CG GLN A 22 5.507 -7.764 -5.277 1.00 0.00 C ATOM 345 CD GLN A 22 5.582 -8.916 -4.268 1.00 0.00 C ATOM 346 OE1 GLN A 22 6.499 -9.710 -4.315 1.00 0.00 O ATOM 347 NE2 GLN A 22 4.654 -9.047 -3.354 1.00 0.00 N ATOM 0 H GLN A 22 5.213 -6.975 -2.152 1.00 0.00 H new ATOM 0 HA GLN A 22 4.573 -5.013 -4.256 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.390 -7.642 -4.885 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.990 -6.390 -5.954 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.530 -8.157 -6.293 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.376 -7.115 -5.167 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.882 -8.381 -3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.703 -9.815 -2.684 1.00 0.00 H new ATOM 356 N LEU A 23 2.261 -4.993 -3.173 1.00 0.00 N ATOM 357 CA LEU A 23 0.997 -4.901 -2.371 1.00 0.00 C ATOM 358 C LEU A 23 -0.252 -5.151 -3.222 1.00 0.00 C ATOM 359 O LEU A 23 -0.171 -5.505 -4.362 1.00 0.00 O ATOM 360 CB LEU A 23 0.905 -3.494 -1.803 1.00 0.00 C ATOM 361 CG LEU A 23 1.316 -3.516 -0.338 1.00 0.00 C ATOM 362 CD1 LEU A 23 1.379 -2.086 0.190 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.295 -4.317 0.476 1.00 0.00 C ATOM 0 H LEU A 23 2.422 -4.213 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 23 1.033 -5.663 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.552 -2.820 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.112 -3.115 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 23 2.295 -3.985 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.673 -2.098 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.110 -1.518 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.399 -1.619 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.594 -4.329 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.687 -3.854 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.250 -5.339 0.099 1.00 0.00 H new ATOM 375 N SER A 24 -1.420 -4.960 -2.662 1.00 0.00 N ATOM 376 CA SER A 24 -2.657 -5.161 -3.414 1.00 0.00 C ATOM 377 C SER A 24 -3.705 -4.211 -2.813 1.00 0.00 C ATOM 378 O SER A 24 -3.405 -3.429 -1.932 1.00 0.00 O ATOM 379 CB SER A 24 -3.093 -6.613 -3.251 1.00 0.00 C ATOM 380 OG SER A 24 -1.982 -7.384 -2.811 1.00 0.00 O ATOM 0 H SER A 24 -1.552 -4.667 -1.694 1.00 0.00 H new ATOM 0 HA SER A 24 -2.530 -4.955 -4.477 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.908 -6.683 -2.531 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.470 -7.001 -4.197 1.00 0.00 H new ATOM 0 HG SER A 24 -2.255 -8.319 -2.702 1.00 0.00 H new ATOM 386 N LYS A 25 -4.917 -4.270 -3.267 1.00 0.00 N ATOM 387 CA LYS A 25 -5.968 -3.368 -2.710 1.00 0.00 C ATOM 388 C LYS A 25 -6.416 -3.885 -1.342 1.00 0.00 C ATOM 389 O LYS A 25 -6.816 -3.123 -0.485 1.00 0.00 O ATOM 390 CB LYS A 25 -7.169 -3.335 -3.651 1.00 0.00 C ATOM 391 CG LYS A 25 -7.876 -1.984 -3.529 1.00 0.00 C ATOM 392 CD LYS A 25 -8.385 -1.543 -4.905 1.00 0.00 C ATOM 393 CE LYS A 25 -9.265 -2.643 -5.503 1.00 0.00 C ATOM 394 NZ LYS A 25 -9.157 -2.608 -6.989 1.00 0.00 N ATOM 0 H LYS A 25 -5.233 -4.903 -4.002 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.558 -2.363 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.844 -3.496 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.859 -4.142 -3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.709 -2.060 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.190 -1.238 -3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.954 -0.617 -4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.543 -1.337 -5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.954 -3.618 -5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.302 -2.500 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.754 -3.355 -7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.474 -1.681 -7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.168 -2.764 -7.269 1.00 0.00 H new ATOM 408 N GLU A 26 -6.347 -5.171 -1.123 1.00 0.00 N ATOM 409 CA GLU A 26 -6.764 -5.719 0.196 1.00 0.00 C ATOM 410 C GLU A 26 -5.622 -5.545 1.194 1.00 0.00 C ATOM 411 O GLU A 26 -5.678 -6.027 2.308 1.00 0.00 O ATOM 412 CB GLU A 26 -7.104 -7.207 0.058 1.00 0.00 C ATOM 413 CG GLU A 26 -6.071 -7.889 -0.842 1.00 0.00 C ATOM 414 CD GLU A 26 -5.789 -9.297 -0.315 1.00 0.00 C ATOM 415 OE1 GLU A 26 -5.073 -9.409 0.666 1.00 0.00 O ATOM 416 OE2 GLU A 26 -6.292 -10.239 -0.904 1.00 0.00 O ATOM 0 H GLU A 26 -6.021 -5.862 -1.799 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.646 -5.185 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.115 -7.680 1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.102 -7.325 -0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.441 -7.939 -1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.150 -7.306 -0.864 1.00 0.00 H new ATOM 423 N GLU A 27 -4.576 -4.866 0.801 1.00 0.00 N ATOM 424 CA GLU A 27 -3.430 -4.675 1.725 1.00 0.00 C ATOM 425 C GLU A 27 -3.054 -3.198 1.802 1.00 0.00 C ATOM 426 O GLU A 27 -2.061 -2.835 2.398 1.00 0.00 O ATOM 427 CB GLU A 27 -2.231 -5.469 1.215 1.00 0.00 C ATOM 428 CG GLU A 27 -2.590 -6.949 1.137 1.00 0.00 C ATOM 429 CD GLU A 27 -1.442 -7.771 1.717 1.00 0.00 C ATOM 430 OE1 GLU A 27 -1.113 -7.554 2.870 1.00 0.00 O ATOM 431 OE2 GLU A 27 -0.911 -8.602 0.999 1.00 0.00 O ATOM 0 H GLU A 27 -4.470 -4.438 -0.119 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.715 -5.024 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.933 -5.105 0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.379 -5.326 1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.509 -7.143 1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.774 -7.238 0.102 1.00 0.00 H new ATOM 438 N LEU A 28 -3.843 -2.340 1.228 1.00 0.00 N ATOM 439 CA LEU A 28 -3.542 -0.904 1.296 1.00 0.00 C ATOM 440 C LEU A 28 -4.388 -0.364 2.453 1.00 0.00 C ATOM 441 O LEU A 28 -3.913 0.314 3.335 1.00 0.00 O ATOM 442 CB LEU A 28 -3.913 -0.289 -0.056 1.00 0.00 C ATOM 443 CG LEU A 28 -4.483 1.106 0.126 1.00 0.00 C ATOM 444 CD1 LEU A 28 -3.444 2.002 0.805 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.844 1.693 -1.241 1.00 0.00 C ATOM 0 H LEU A 28 -4.689 -2.582 0.712 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.493 -0.670 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.031 -0.246 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.643 -0.922 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.377 1.052 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.856 3.003 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.187 1.587 1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.549 2.055 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.253 2.695 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.950 1.745 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.586 1.058 -1.725 1.00 0.00 H new ATOM 457 N LYS A 29 -5.628 -0.753 2.466 1.00 0.00 N ATOM 458 CA LYS A 29 -6.565 -0.412 3.524 1.00 0.00 C ATOM 459 C LYS A 29 -6.009 -0.901 4.860 1.00 0.00 C ATOM 460 O LYS A 29 -5.999 -0.188 5.842 1.00 0.00 O ATOM 461 CB LYS A 29 -7.817 -1.177 3.202 1.00 0.00 C ATOM 462 CG LYS A 29 -8.853 -0.765 4.195 1.00 0.00 C ATOM 463 CD LYS A 29 -10.230 -0.971 3.594 1.00 0.00 C ATOM 464 CE LYS A 29 -11.311 -0.509 4.597 1.00 0.00 C ATOM 465 NZ LYS A 29 -12.591 -0.275 3.872 1.00 0.00 N ATOM 0 H LYS A 29 -6.037 -1.329 1.730 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.742 0.661 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.150 -0.961 2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.637 -2.251 3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.751 -1.350 5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.716 0.281 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.319 -0.409 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.376 -2.022 3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.451 -1.264 5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.991 0.405 5.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.320 0.036 4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.451 0.460 3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.897 -1.157 3.414 1.00 0.00 H new ATOM 479 N LEU A 30 -5.517 -2.116 4.894 1.00 0.00 N ATOM 480 CA LEU A 30 -4.933 -2.644 6.140 1.00 0.00 C ATOM 481 C LEU A 30 -3.588 -1.944 6.305 1.00 0.00 C ATOM 482 O LEU A 30 -3.029 -1.871 7.379 1.00 0.00 O ATOM 483 CB LEU A 30 -4.836 -4.186 6.032 1.00 0.00 C ATOM 484 CG LEU A 30 -3.408 -4.673 5.787 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.803 -3.955 4.581 1.00 0.00 C ATOM 486 CD2 LEU A 30 -2.572 -4.402 7.029 1.00 0.00 C ATOM 0 H LEU A 30 -5.500 -2.758 4.102 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.536 -2.448 7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.216 -4.635 6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.477 -4.530 5.220 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.420 -5.743 5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.786 -4.311 4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.405 -4.159 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.786 -2.881 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.551 -4.747 6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.565 -3.332 7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.000 -4.933 7.879 1.00 0.00 H new ATOM 498 N LEU A 31 -3.088 -1.392 5.229 1.00 0.00 N ATOM 499 CA LEU A 31 -1.814 -0.653 5.294 1.00 0.00 C ATOM 500 C LEU A 31 -1.982 0.521 6.248 1.00 0.00 C ATOM 501 O LEU A 31 -1.455 0.526 7.342 1.00 0.00 O ATOM 502 CB LEU A 31 -1.449 -0.130 3.905 1.00 0.00 C ATOM 503 CG LEU A 31 0.055 0.073 3.847 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.617 -0.600 2.596 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.376 1.568 3.812 1.00 0.00 C ATOM 0 H LEU A 31 -3.519 -1.428 4.305 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.021 -1.313 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.766 -0.837 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.966 0.809 3.706 1.00 0.00 H new ATOM 0 HG LEU A 31 0.510 -0.371 4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.696 -0.453 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.397 -1.667 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.159 -0.161 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.456 1.707 3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.082 2.018 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.017 2.046 4.709 1.00 0.00 H new ATOM 517 N LEU A 32 -2.701 1.530 5.839 1.00 0.00 N ATOM 518 CA LEU A 32 -2.888 2.702 6.707 1.00 0.00 C ATOM 519 C LEU A 32 -3.825 2.419 7.893 1.00 0.00 C ATOM 520 O LEU A 32 -3.834 3.154 8.833 1.00 0.00 O ATOM 521 CB LEU A 32 -3.417 3.851 5.857 1.00 0.00 C ATOM 522 CG LEU A 32 -4.874 3.627 5.437 1.00 0.00 C ATOM 523 CD1 LEU A 32 -5.144 2.209 4.952 1.00 0.00 C ATOM 524 CD2 LEU A 32 -5.787 3.938 6.611 1.00 0.00 C ATOM 0 H LEU A 32 -3.166 1.583 4.933 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.925 2.966 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.340 4.783 6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.796 3.961 4.968 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.072 4.295 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.193 2.115 4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.515 1.994 4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.918 1.502 5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.825 3.780 6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.543 3.281 7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.650 4.976 6.914 1.00 0.00 H new ATOM 536 N GLN A 33 -4.602 1.380 7.897 1.00 0.00 N ATOM 537 CA GLN A 33 -5.487 1.163 9.084 1.00 0.00 C ATOM 538 C GLN A 33 -4.697 0.499 10.205 1.00 0.00 C ATOM 539 O GLN A 33 -4.825 0.854 11.360 1.00 0.00 O ATOM 540 CB GLN A 33 -6.684 0.304 8.680 1.00 0.00 C ATOM 541 CG GLN A 33 -7.596 1.122 7.761 1.00 0.00 C ATOM 542 CD GLN A 33 -8.887 0.349 7.499 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.964 0.912 7.522 1.00 0.00 O ATOM 544 NE2 GLN A 33 -8.825 -0.930 7.248 1.00 0.00 N ATOM 0 H GLN A 33 -4.669 0.683 7.155 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.854 2.123 9.446 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.345 -0.597 8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.232 -0.018 9.565 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.823 2.084 8.220 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.088 1.330 6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.921 -1.403 7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.680 -1.457 7.071 1.00 0.00 H new ATOM 553 N THR A 34 -3.871 -0.447 9.884 1.00 0.00 N ATOM 554 CA THR A 34 -3.068 -1.103 10.946 1.00 0.00 C ATOM 555 C THR A 34 -2.147 -0.054 11.572 1.00 0.00 C ATOM 556 O THR A 34 -1.675 -0.205 12.682 1.00 0.00 O ATOM 557 CB THR A 34 -2.231 -2.232 10.342 1.00 0.00 C ATOM 558 OG1 THR A 34 -3.076 -3.327 10.023 1.00 0.00 O ATOM 559 CG2 THR A 34 -1.171 -2.680 11.348 1.00 0.00 C ATOM 0 H THR A 34 -3.716 -0.795 8.938 1.00 0.00 H new ATOM 0 HA THR A 34 -3.727 -1.525 11.705 1.00 0.00 H new ATOM 0 HB THR A 34 -1.740 -1.875 9.437 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.538 -4.142 9.942 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.576 -3.484 10.916 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.522 -1.839 11.591 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.658 -3.037 12.255 1.00 0.00 H new ATOM 567 N GLU A 35 -1.888 1.012 10.860 1.00 0.00 N ATOM 568 CA GLU A 35 -0.996 2.076 11.403 1.00 0.00 C ATOM 569 C GLU A 35 -1.765 3.398 11.560 1.00 0.00 C ATOM 570 O GLU A 35 -1.949 3.881 12.659 1.00 0.00 O ATOM 571 CB GLU A 35 0.185 2.283 10.452 1.00 0.00 C ATOM 572 CG GLU A 35 1.388 1.476 10.951 1.00 0.00 C ATOM 573 CD GLU A 35 1.857 0.510 9.861 1.00 0.00 C ATOM 574 OE1 GLU A 35 1.290 0.541 8.781 1.00 0.00 O ATOM 575 OE2 GLU A 35 2.776 -0.247 10.126 1.00 0.00 O ATOM 0 H GLU A 35 -2.256 1.191 9.926 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.634 1.764 12.383 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.086 1.968 9.444 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.441 3.341 10.397 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.200 2.150 11.226 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.117 0.921 11.849 1.00 0.00 H new ATOM 582 N PHE A 36 -2.192 4.007 10.478 1.00 0.00 N ATOM 583 CA PHE A 36 -2.919 5.317 10.604 1.00 0.00 C ATOM 584 C PHE A 36 -4.247 5.268 9.831 1.00 0.00 C ATOM 585 O PHE A 36 -4.386 5.919 8.816 1.00 0.00 O ATOM 586 CB PHE A 36 -2.069 6.444 9.998 1.00 0.00 C ATOM 587 CG PHE A 36 -0.636 5.994 9.828 1.00 0.00 C ATOM 588 CD1 PHE A 36 -0.252 5.338 8.651 1.00 0.00 C ATOM 589 CD2 PHE A 36 0.304 6.229 10.836 1.00 0.00 C ATOM 590 CE1 PHE A 36 1.072 4.920 8.480 1.00 0.00 C ATOM 591 CE2 PHE A 36 1.630 5.809 10.667 1.00 0.00 C ATOM 592 CZ PHE A 36 2.014 5.154 9.488 1.00 0.00 C ATOM 0 H PHE A 36 -2.072 3.662 9.526 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.106 5.500 11.662 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.481 6.739 9.033 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.106 7.322 10.642 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.980 5.155 7.874 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.008 6.734 11.744 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.367 4.417 7.571 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.357 5.990 11.445 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.036 4.830 9.358 1.00 0.00 H new ATOM 602 N PRO A 37 -5.184 4.493 10.320 1.00 0.00 N ATOM 603 CA PRO A 37 -6.500 4.346 9.672 1.00 0.00 C ATOM 604 C PRO A 37 -7.075 5.706 9.269 1.00 0.00 C ATOM 605 O PRO A 37 -7.950 5.788 8.430 1.00 0.00 O ATOM 606 CB PRO A 37 -7.372 3.654 10.727 1.00 0.00 C ATOM 607 CG PRO A 37 -6.433 3.188 11.870 1.00 0.00 C ATOM 608 CD PRO A 37 -5.023 3.712 11.552 1.00 0.00 C ATOM 0 HA PRO A 37 -6.445 3.771 8.747 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.130 4.339 11.108 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.899 2.805 10.293 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.777 3.572 12.830 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.430 2.101 11.945 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.637 4.329 12.364 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.318 2.892 11.412 1.00 0.00 H new ATOM 616 N SER A 38 -6.597 6.771 9.847 1.00 0.00 N ATOM 617 CA SER A 38 -7.131 8.105 9.473 1.00 0.00 C ATOM 618 C SER A 38 -6.942 8.335 7.969 1.00 0.00 C ATOM 619 O SER A 38 -7.855 8.748 7.283 1.00 0.00 O ATOM 620 CB SER A 38 -6.400 9.191 10.263 1.00 0.00 C ATOM 621 OG SER A 38 -5.058 8.780 10.492 1.00 0.00 O ATOM 0 H SER A 38 -5.865 6.775 10.557 1.00 0.00 H new ATOM 0 HA SER A 38 -8.195 8.147 9.708 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.416 10.131 9.712 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.905 9.369 11.212 1.00 0.00 H new ATOM 0 HG SER A 38 -4.585 9.474 10.997 1.00 0.00 H new ATOM 627 N LEU A 39 -5.771 8.063 7.450 1.00 0.00 N ATOM 628 CA LEU A 39 -5.541 8.259 5.986 1.00 0.00 C ATOM 629 C LEU A 39 -6.745 7.719 5.221 1.00 0.00 C ATOM 630 O LEU A 39 -7.716 8.413 4.997 1.00 0.00 O ATOM 631 CB LEU A 39 -4.274 7.508 5.557 1.00 0.00 C ATOM 632 CG LEU A 39 -3.117 8.496 5.387 1.00 0.00 C ATOM 633 CD1 LEU A 39 -2.933 9.302 6.675 1.00 0.00 C ATOM 634 CD2 LEU A 39 -1.831 7.722 5.083 1.00 0.00 C ATOM 0 H LEU A 39 -4.968 7.715 7.974 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.413 9.320 5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.016 6.756 6.303 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.453 6.979 4.621 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.340 9.176 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.109 10.004 6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.848 9.852 6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.711 8.625 7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.005 8.423 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.612 7.042 5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.959 7.149 4.164 1.00 0.00 H new ATOM 646 N LEU A 40 -6.699 6.482 4.838 1.00 0.00 N ATOM 647 CA LEU A 40 -7.853 5.890 4.110 1.00 0.00 C ATOM 648 C LEU A 40 -9.106 6.078 4.966 1.00 0.00 C ATOM 649 O LEU A 40 -9.331 5.361 5.920 1.00 0.00 O ATOM 650 CB LEU A 40 -7.607 4.392 3.883 1.00 0.00 C ATOM 651 CG LEU A 40 -6.588 4.149 2.749 1.00 0.00 C ATOM 652 CD1 LEU A 40 -7.320 3.615 1.519 1.00 0.00 C ATOM 653 CD2 LEU A 40 -5.845 5.442 2.372 1.00 0.00 C ATOM 0 H LEU A 40 -5.913 5.851 4.996 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.978 6.378 3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.242 3.939 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.549 3.901 3.638 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.854 3.424 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.604 3.442 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.817 2.678 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.062 4.343 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.136 5.234 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.563 6.190 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.309 5.820 3.242 1.00 0.00 H new ATOM 767 N GLU A 48 -8.600 5.324 -6.344 1.00 0.00 N ATOM 768 CA GLU A 48 -7.873 6.260 -7.227 1.00 0.00 C ATOM 769 C GLU A 48 -6.433 6.303 -6.780 1.00 0.00 C ATOM 770 O GLU A 48 -5.529 6.626 -7.524 1.00 0.00 O ATOM 771 CB GLU A 48 -8.476 7.634 -7.054 1.00 0.00 C ATOM 772 CG GLU A 48 -8.321 8.086 -5.601 1.00 0.00 C ATOM 773 CD GLU A 48 -8.935 9.478 -5.435 1.00 0.00 C ATOM 774 OE1 GLU A 48 -8.289 10.439 -5.819 1.00 0.00 O ATOM 775 OE2 GLU A 48 -10.042 9.558 -4.926 1.00 0.00 O ATOM 0 HA GLU A 48 -7.939 5.945 -8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.985 8.344 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.531 7.616 -7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.812 7.378 -4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.267 8.106 -5.325 1.00 0.00 H new ATOM 782 N LEU A 49 -6.229 5.950 -5.559 1.00 0.00 N ATOM 783 CA LEU A 49 -4.854 5.923 -5.010 1.00 0.00 C ATOM 784 C LEU A 49 -4.166 4.709 -5.608 1.00 0.00 C ATOM 785 O LEU A 49 -2.958 4.635 -5.719 1.00 0.00 O ATOM 786 CB LEU A 49 -4.928 5.791 -3.491 1.00 0.00 C ATOM 787 CG LEU A 49 -3.726 6.490 -2.849 1.00 0.00 C ATOM 788 CD1 LEU A 49 -3.832 8.001 -3.070 1.00 0.00 C ATOM 789 CD2 LEU A 49 -3.709 6.197 -1.348 1.00 0.00 C ATOM 0 H LEU A 49 -6.961 5.674 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.305 6.833 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.855 6.231 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.941 4.738 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.807 6.120 -3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.976 8.497 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.845 8.212 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.751 8.372 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.854 6.694 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.629 6.566 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.632 5.122 -1.188 1.00 0.00 H new ATOM 801 N PHE A 50 -4.961 3.759 -6.002 1.00 0.00 N ATOM 802 CA PHE A 50 -4.429 2.520 -6.619 1.00 0.00 C ATOM 803 C PHE A 50 -4.141 2.775 -8.100 1.00 0.00 C ATOM 804 O PHE A 50 -3.126 2.364 -8.630 1.00 0.00 O ATOM 805 CB PHE A 50 -5.482 1.427 -6.480 1.00 0.00 C ATOM 806 CG PHE A 50 -4.893 0.101 -6.897 1.00 0.00 C ATOM 807 CD1 PHE A 50 -4.828 -0.240 -8.253 1.00 0.00 C ATOM 808 CD2 PHE A 50 -4.406 -0.786 -5.928 1.00 0.00 C ATOM 809 CE1 PHE A 50 -4.279 -1.467 -8.641 1.00 0.00 C ATOM 810 CE2 PHE A 50 -3.857 -2.014 -6.317 1.00 0.00 C ATOM 811 CZ PHE A 50 -3.793 -2.354 -7.674 1.00 0.00 C ATOM 0 H PHE A 50 -5.977 3.791 -5.920 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.506 2.215 -6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.831 1.373 -5.449 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.349 1.662 -7.098 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.202 0.444 -9.000 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.454 -0.523 -4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.230 -1.730 -9.687 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.483 -2.699 -5.570 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.369 -3.301 -7.974 1.00 0.00 H new ATOM 821 N GLU A 51 -5.036 3.450 -8.772 1.00 0.00 N ATOM 822 CA GLU A 51 -4.838 3.737 -10.219 1.00 0.00 C ATOM 823 C GLU A 51 -3.715 4.760 -10.389 1.00 0.00 C ATOM 824 O GLU A 51 -3.066 4.818 -11.414 1.00 0.00 O ATOM 825 CB GLU A 51 -6.136 4.303 -10.801 1.00 0.00 C ATOM 826 CG GLU A 51 -6.094 4.225 -12.327 1.00 0.00 C ATOM 827 CD GLU A 51 -7.462 4.608 -12.895 1.00 0.00 C ATOM 828 OE1 GLU A 51 -8.039 5.563 -12.402 1.00 0.00 O ATOM 829 OE2 GLU A 51 -7.909 3.939 -13.813 1.00 0.00 O ATOM 0 H GLU A 51 -5.901 3.817 -8.375 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.571 2.818 -10.741 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.991 3.742 -10.422 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.267 5.337 -10.484 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.327 4.895 -12.715 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.826 3.217 -12.643 1.00 0.00 H new ATOM 836 N GLU A 52 -3.477 5.566 -9.393 1.00 0.00 N ATOM 837 CA GLU A 52 -2.394 6.581 -9.504 1.00 0.00 C ATOM 838 C GLU A 52 -1.035 5.891 -9.363 1.00 0.00 C ATOM 839 O GLU A 52 0.002 6.522 -9.427 1.00 0.00 O ATOM 840 CB GLU A 52 -2.558 7.623 -8.396 1.00 0.00 C ATOM 841 CG GLU A 52 -2.773 9.002 -9.022 1.00 0.00 C ATOM 842 CD GLU A 52 -3.550 9.886 -8.046 1.00 0.00 C ATOM 843 OE1 GLU A 52 -3.749 9.457 -6.921 1.00 0.00 O ATOM 844 OE2 GLU A 52 -3.932 10.976 -8.439 1.00 0.00 O ATOM 0 H GLU A 52 -3.985 5.566 -8.508 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.452 7.073 -10.475 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.405 7.364 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.674 7.635 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.813 9.460 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.321 8.907 -9.959 1.00 0.00 H new ATOM 851 N LEU A 53 -1.032 4.600 -9.173 1.00 0.00 N ATOM 852 CA LEU A 53 0.255 3.869 -9.027 1.00 0.00 C ATOM 853 C LEU A 53 0.414 2.888 -10.194 1.00 0.00 C ATOM 854 O LEU A 53 -0.549 2.495 -10.823 1.00 0.00 O ATOM 855 CB LEU A 53 0.257 3.092 -7.706 1.00 0.00 C ATOM 856 CG LEU A 53 -0.512 3.864 -6.626 1.00 0.00 C ATOM 857 CD1 LEU A 53 -1.002 2.882 -5.561 1.00 0.00 C ATOM 858 CD2 LEU A 53 0.420 4.890 -5.974 1.00 0.00 C ATOM 0 H LEU A 53 -1.869 4.020 -9.113 1.00 0.00 H new ATOM 0 HA LEU A 53 1.081 4.581 -9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.197 2.112 -7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.283 2.922 -7.379 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.362 4.376 -7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.549 3.424 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.659 2.144 -6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.147 2.377 -5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.124 5.440 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.267 4.375 -5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.782 5.586 -6.731 1.00 0.00 H new ATOM 870 N ASP A 54 1.623 2.489 -10.488 1.00 0.00 N ATOM 871 CA ASP A 54 1.842 1.535 -11.614 1.00 0.00 C ATOM 872 C ASP A 54 1.054 0.249 -11.358 1.00 0.00 C ATOM 873 O ASP A 54 0.515 0.041 -10.290 1.00 0.00 O ATOM 874 CB ASP A 54 3.333 1.204 -11.719 1.00 0.00 C ATOM 875 CG ASP A 54 3.710 1.001 -13.188 1.00 0.00 C ATOM 876 OD1 ASP A 54 3.729 1.980 -13.915 1.00 0.00 O ATOM 877 OD2 ASP A 54 3.973 -0.131 -13.562 1.00 0.00 O ATOM 0 H ASP A 54 2.468 2.782 -9.997 1.00 0.00 H new ATOM 0 HA ASP A 54 1.502 1.990 -12.544 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.926 2.011 -11.289 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.557 0.303 -11.147 1.00 0.00 H new ATOM 882 N LYS A 55 0.983 -0.617 -12.333 1.00 0.00 N ATOM 883 CA LYS A 55 0.232 -1.891 -12.153 1.00 0.00 C ATOM 884 C LYS A 55 0.581 -2.851 -13.293 1.00 0.00 C ATOM 885 O LYS A 55 0.752 -2.447 -14.425 1.00 0.00 O ATOM 886 CB LYS A 55 -1.271 -1.603 -12.167 1.00 0.00 C ATOM 887 CG LYS A 55 -1.651 -0.953 -13.499 1.00 0.00 C ATOM 888 CD LYS A 55 -3.175 -0.844 -13.603 1.00 0.00 C ATOM 889 CE LYS A 55 -3.755 -2.167 -14.164 1.00 0.00 C ATOM 890 NZ LYS A 55 -4.543 -1.875 -15.395 1.00 0.00 N ATOM 0 H LYS A 55 1.415 -0.496 -13.249 1.00 0.00 H new ATOM 0 HA LYS A 55 0.504 -2.344 -11.200 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.831 -2.528 -12.028 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.534 -0.944 -11.340 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.200 0.036 -13.574 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.261 -1.544 -14.328 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.602 -0.635 -12.622 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.446 -0.012 -14.253 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.948 -2.864 -14.391 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.389 -2.645 -13.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.934 -2.761 -15.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.320 -1.224 -15.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.925 -1.436 -16.107 1.00 0.00 H new ATOM 904 N ASN A 56 0.691 -4.119 -13.005 1.00 0.00 N ATOM 905 CA ASN A 56 1.033 -5.101 -14.077 1.00 0.00 C ATOM 906 C ASN A 56 -0.213 -5.915 -14.433 1.00 0.00 C ATOM 907 O ASN A 56 -0.289 -6.527 -15.481 1.00 0.00 O ATOM 908 CB ASN A 56 2.142 -6.051 -13.598 1.00 0.00 C ATOM 909 CG ASN A 56 2.435 -5.828 -12.112 1.00 0.00 C ATOM 910 OD1 ASN A 56 3.256 -5.005 -11.756 1.00 0.00 O ATOM 911 ND2 ASN A 56 1.790 -6.531 -11.226 1.00 0.00 N ATOM 0 H ASN A 56 0.559 -4.519 -12.076 1.00 0.00 H new ATOM 0 HA ASN A 56 1.387 -4.559 -14.954 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.840 -7.085 -13.764 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.047 -5.886 -14.182 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.973 -6.391 -10.232 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.101 -7.221 -11.526 1.00 0.00 H new ATOM 918 N GLY A 57 -1.192 -5.923 -13.572 1.00 0.00 N ATOM 919 CA GLY A 57 -2.435 -6.694 -13.860 1.00 0.00 C ATOM 920 C GLY A 57 -2.351 -8.072 -13.206 1.00 0.00 C ATOM 921 O GLY A 57 -2.628 -9.083 -13.821 1.00 0.00 O ATOM 0 H GLY A 57 -1.186 -5.428 -12.680 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.304 -6.155 -13.483 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.567 -6.800 -14.937 1.00 0.00 H new ATOM 925 N ASP A 58 -1.983 -8.117 -11.958 1.00 0.00 N ATOM 926 CA ASP A 58 -1.893 -9.418 -11.250 1.00 0.00 C ATOM 927 C ASP A 58 -2.525 -9.260 -9.870 1.00 0.00 C ATOM 928 O ASP A 58 -2.329 -10.071 -8.988 1.00 0.00 O ATOM 929 CB ASP A 58 -0.426 -9.818 -11.098 1.00 0.00 C ATOM 930 CG ASP A 58 0.271 -8.852 -10.139 1.00 0.00 C ATOM 931 OD1 ASP A 58 -0.289 -7.800 -9.880 1.00 0.00 O ATOM 932 OD2 ASP A 58 1.353 -9.179 -9.682 1.00 0.00 O ATOM 0 H ASP A 58 -1.739 -7.302 -11.396 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.414 -10.190 -11.816 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.354 -10.838 -10.720 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.068 -9.803 -12.069 1.00 0.00 H new ATOM 937 N GLY A 59 -3.283 -8.212 -9.678 1.00 0.00 N ATOM 938 CA GLY A 59 -3.928 -7.995 -8.355 1.00 0.00 C ATOM 939 C GLY A 59 -2.881 -7.520 -7.346 1.00 0.00 C ATOM 940 O GLY A 59 -3.016 -7.725 -6.156 1.00 0.00 O ATOM 0 H GLY A 59 -3.481 -7.500 -10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.724 -7.256 -8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.389 -8.920 -8.008 1.00 0.00 H new ATOM 944 N GLU A 60 -1.828 -6.897 -7.805 1.00 0.00 N ATOM 945 CA GLU A 60 -0.780 -6.429 -6.860 1.00 0.00 C ATOM 946 C GLU A 60 -0.144 -5.141 -7.388 1.00 0.00 C ATOM 947 O GLU A 60 -0.368 -4.739 -8.513 1.00 0.00 O ATOM 948 CB GLU A 60 0.300 -7.508 -6.748 1.00 0.00 C ATOM 949 CG GLU A 60 0.759 -7.661 -5.297 1.00 0.00 C ATOM 950 CD GLU A 60 1.499 -8.992 -5.135 1.00 0.00 C ATOM 951 OE1 GLU A 60 2.354 -9.277 -5.958 1.00 0.00 O ATOM 952 OE2 GLU A 60 1.199 -9.704 -4.190 1.00 0.00 O ATOM 0 H GLU A 60 -1.651 -6.694 -8.789 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.227 -6.238 -5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.088 -8.458 -7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.150 -7.246 -7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.412 -6.833 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.100 -7.626 -4.627 1.00 0.00 H new ATOM 959 N VAL A 61 0.673 -4.514 -6.590 1.00 0.00 N ATOM 960 CA VAL A 61 1.369 -3.279 -7.020 1.00 0.00 C ATOM 961 C VAL A 61 2.844 -3.510 -6.728 1.00 0.00 C ATOM 962 O VAL A 61 3.245 -4.618 -6.466 1.00 0.00 O ATOM 963 CB VAL A 61 0.830 -2.078 -6.223 1.00 0.00 C ATOM 964 CG1 VAL A 61 1.511 -1.984 -4.852 1.00 0.00 C ATOM 965 CG2 VAL A 61 1.098 -0.791 -6.998 1.00 0.00 C ATOM 0 H VAL A 61 0.889 -4.815 -5.640 1.00 0.00 H new ATOM 0 HA VAL A 61 1.211 -3.062 -8.077 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.241 -2.215 -6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.114 -1.128 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.318 -2.896 -4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.586 -1.862 -4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.716 0.060 -6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.171 -0.674 -7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.598 -0.838 -7.966 1.00 0.00 H new ATOM 975 N SER A 62 3.661 -2.509 -6.737 1.00 0.00 N ATOM 976 CA SER A 62 5.082 -2.768 -6.417 1.00 0.00 C ATOM 977 C SER A 62 5.576 -1.681 -5.469 1.00 0.00 C ATOM 978 O SER A 62 4.934 -0.668 -5.279 1.00 0.00 O ATOM 979 CB SER A 62 5.917 -2.793 -7.696 1.00 0.00 C ATOM 980 OG SER A 62 6.308 -1.468 -8.038 1.00 0.00 O ATOM 0 H SER A 62 3.417 -1.541 -6.947 1.00 0.00 H new ATOM 0 HA SER A 62 5.182 -3.741 -5.935 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.799 -3.418 -7.554 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.341 -3.234 -8.509 1.00 0.00 H new ATOM 0 HG SER A 62 6.845 -1.487 -8.858 1.00 0.00 H new ATOM 986 N PHE A 63 6.697 -1.890 -4.850 1.00 0.00 N ATOM 987 CA PHE A 63 7.212 -0.881 -3.892 1.00 0.00 C ATOM 988 C PHE A 63 8.078 0.138 -4.630 1.00 0.00 C ATOM 989 O PHE A 63 8.547 1.102 -4.059 1.00 0.00 O ATOM 990 CB PHE A 63 7.966 -1.634 -2.805 1.00 0.00 C ATOM 991 CG PHE A 63 8.937 -0.761 -2.044 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.465 0.073 -1.027 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.310 -0.832 -2.311 1.00 0.00 C ATOM 994 CE1 PHE A 63 9.359 0.836 -0.269 1.00 0.00 C ATOM 995 CE2 PHE A 63 11.208 -0.057 -1.558 1.00 0.00 C ATOM 996 CZ PHE A 63 10.730 0.774 -0.533 1.00 0.00 C ATOM 0 H PHE A 63 7.281 -2.718 -4.966 1.00 0.00 H new ATOM 0 HA PHE A 63 6.408 -0.311 -3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.249 -2.065 -2.106 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.510 -2.464 -3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.405 0.129 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 63 10.677 -1.480 -3.093 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.990 1.473 0.521 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.266 -0.101 -1.768 1.00 0.00 H new ATOM 0 HZ PHE A 63 11.420 1.365 0.051 1.00 0.00 H new ATOM 1006 N GLU A 64 8.241 -0.035 -5.917 1.00 0.00 N ATOM 1007 CA GLU A 64 9.012 0.961 -6.708 1.00 0.00 C ATOM 1008 C GLU A 64 8.063 2.119 -7.026 1.00 0.00 C ATOM 1009 O GLU A 64 8.464 3.261 -7.136 1.00 0.00 O ATOM 1010 CB GLU A 64 9.529 0.333 -8.007 1.00 0.00 C ATOM 1011 CG GLU A 64 10.875 0.959 -8.375 1.00 0.00 C ATOM 1012 CD GLU A 64 12.007 0.002 -7.993 1.00 0.00 C ATOM 1013 OE1 GLU A 64 11.710 -1.050 -7.450 1.00 0.00 O ATOM 1014 OE2 GLU A 64 13.151 0.338 -8.250 1.00 0.00 O ATOM 0 H GLU A 64 7.873 -0.823 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 64 9.877 1.309 -6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.638 -0.745 -7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.810 0.491 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.909 1.171 -9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.999 1.910 -7.857 1.00 0.00 H new ATOM 1021 N GLU A 65 6.789 1.821 -7.147 1.00 0.00 N ATOM 1022 CA GLU A 65 5.784 2.890 -7.424 1.00 0.00 C ATOM 1023 C GLU A 65 4.974 3.154 -6.143 1.00 0.00 C ATOM 1024 O GLU A 65 4.057 3.950 -6.119 1.00 0.00 O ATOM 1025 CB GLU A 65 4.857 2.460 -8.570 1.00 0.00 C ATOM 1026 CG GLU A 65 4.224 1.101 -8.263 1.00 0.00 C ATOM 1027 CD GLU A 65 2.821 1.310 -7.707 1.00 0.00 C ATOM 1028 OE1 GLU A 65 2.714 1.629 -6.535 1.00 0.00 O ATOM 1029 OE2 GLU A 65 1.877 1.158 -8.465 1.00 0.00 O ATOM 0 H GLU A 65 6.405 0.880 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 65 6.292 3.806 -7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.077 3.207 -8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.421 2.404 -9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.182 0.494 -9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.835 0.557 -7.543 1.00 0.00 H new ATOM 1036 N PHE A 66 5.345 2.496 -5.070 1.00 0.00 N ATOM 1037 CA PHE A 66 4.669 2.676 -3.744 1.00 0.00 C ATOM 1038 C PHE A 66 5.246 3.931 -3.056 1.00 0.00 C ATOM 1039 O PHE A 66 5.135 4.110 -1.860 1.00 0.00 O ATOM 1040 CB PHE A 66 5.003 1.427 -2.921 1.00 0.00 C ATOM 1041 CG PHE A 66 4.205 1.339 -1.636 1.00 0.00 C ATOM 1042 CD1 PHE A 66 2.809 1.246 -1.675 1.00 0.00 C ATOM 1043 CD2 PHE A 66 4.869 1.342 -0.399 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.078 1.164 -0.484 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.136 1.258 0.789 1.00 0.00 C ATOM 1046 CZ PHE A 66 2.742 1.173 0.747 1.00 0.00 C ATOM 0 H PHE A 66 6.111 1.822 -5.058 1.00 0.00 H new ATOM 0 HA PHE A 66 3.591 2.802 -3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.812 0.539 -3.523 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.067 1.428 -2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.295 1.237 -2.625 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.946 1.409 -0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.001 1.094 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.648 1.259 1.740 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.177 1.114 1.665 1.00 0.00 H new ATOM 1056 N GLN A 67 5.872 4.783 -3.826 1.00 0.00 N ATOM 1057 CA GLN A 67 6.492 6.038 -3.280 1.00 0.00 C ATOM 1058 C GLN A 67 5.450 7.131 -3.163 1.00 0.00 C ATOM 1059 O GLN A 67 5.460 7.926 -2.251 1.00 0.00 O ATOM 1060 CB GLN A 67 7.616 6.521 -4.196 1.00 0.00 C ATOM 1061 CG GLN A 67 8.609 5.388 -4.444 1.00 0.00 C ATOM 1062 CD GLN A 67 9.556 5.247 -3.237 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.330 6.142 -2.965 1.00 0.00 O ATOM 1064 NE2 GLN A 67 9.538 4.162 -2.489 1.00 0.00 N ATOM 0 H GLN A 67 5.984 4.663 -4.833 1.00 0.00 H new ATOM 0 HA GLN A 67 6.899 5.813 -2.294 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.202 6.867 -5.143 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.126 7.371 -3.742 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.074 4.453 -4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.185 5.589 -5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.892 3.403 -2.707 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.170 4.081 -1.692 1.00 0.00 H new ATOM 1073 N VAL A 68 4.553 7.188 -4.081 1.00 0.00 N ATOM 1074 CA VAL A 68 3.507 8.242 -3.999 1.00 0.00 C ATOM 1075 C VAL A 68 2.967 8.266 -2.562 1.00 0.00 C ATOM 1076 O VAL A 68 2.478 9.267 -2.079 1.00 0.00 O ATOM 1077 CB VAL A 68 2.377 7.935 -4.981 1.00 0.00 C ATOM 1078 CG1 VAL A 68 1.644 9.232 -5.315 1.00 0.00 C ATOM 1079 CG2 VAL A 68 2.961 7.335 -6.263 1.00 0.00 C ATOM 0 H VAL A 68 4.488 6.561 -4.883 1.00 0.00 H new ATOM 0 HA VAL A 68 3.928 9.213 -4.258 1.00 0.00 H new ATOM 0 HB VAL A 68 1.684 7.223 -4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.835 9.023 -6.016 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.231 9.662 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.341 9.938 -5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.154 7.116 -6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.651 8.046 -6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.494 6.414 -6.024 1.00 0.00 H new ATOM 1089 N LEU A 69 3.083 7.157 -1.880 1.00 0.00 N ATOM 1090 CA LEU A 69 2.618 7.061 -0.467 1.00 0.00 C ATOM 1091 C LEU A 69 3.773 7.397 0.466 1.00 0.00 C ATOM 1092 O LEU A 69 3.584 7.862 1.569 1.00 0.00 O ATOM 1093 CB LEU A 69 2.252 5.612 -0.184 1.00 0.00 C ATOM 1094 CG LEU A 69 0.989 5.489 0.689 1.00 0.00 C ATOM 1095 CD1 LEU A 69 1.185 4.322 1.654 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.741 6.766 1.507 1.00 0.00 C ATOM 0 H LEU A 69 3.489 6.298 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 69 1.777 7.737 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.092 5.089 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.086 5.120 0.316 1.00 0.00 H new ATOM 0 HG LEU A 69 0.130 5.329 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.301 4.217 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.339 3.403 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.056 4.511 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.158 6.643 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.594 6.951 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.611 7.611 0.831 1.00 0.00 H new ATOM 1108 N VAL A 70 4.968 7.089 0.048 1.00 0.00 N ATOM 1109 CA VAL A 70 6.150 7.331 0.914 1.00 0.00 C ATOM 1110 C VAL A 70 6.185 8.802 1.354 1.00 0.00 C ATOM 1111 O VAL A 70 6.361 9.107 2.516 1.00 0.00 O ATOM 1112 CB VAL A 70 7.445 6.990 0.147 1.00 0.00 C ATOM 1113 CG1 VAL A 70 7.924 8.194 -0.675 1.00 0.00 C ATOM 1114 CG2 VAL A 70 8.546 6.626 1.138 1.00 0.00 C ATOM 0 H VAL A 70 5.176 6.678 -0.862 1.00 0.00 H new ATOM 0 HA VAL A 70 6.077 6.694 1.795 1.00 0.00 H new ATOM 0 HB VAL A 70 7.233 6.154 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.838 7.931 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.154 8.474 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.121 9.034 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.460 6.385 0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.731 7.470 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.235 5.762 1.726 1.00 0.00 H new ATOM 1124 N LYS A 71 6.019 9.716 0.428 1.00 0.00 N ATOM 1125 CA LYS A 71 6.042 11.164 0.791 1.00 0.00 C ATOM 1126 C LYS A 71 4.711 11.553 1.435 1.00 0.00 C ATOM 1127 O LYS A 71 4.456 12.706 1.721 1.00 0.00 O ATOM 1128 CB LYS A 71 6.269 12.001 -0.457 1.00 0.00 C ATOM 1129 CG LYS A 71 7.572 11.575 -1.136 1.00 0.00 C ATOM 1130 CD LYS A 71 7.910 12.556 -2.261 1.00 0.00 C ATOM 1131 CE LYS A 71 6.959 12.327 -3.442 1.00 0.00 C ATOM 1132 NZ LYS A 71 7.352 11.082 -4.159 1.00 0.00 N ATOM 0 H LYS A 71 5.869 9.520 -0.562 1.00 0.00 H new ATOM 0 HA LYS A 71 6.852 11.345 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.433 11.879 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.314 13.058 -0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.382 11.549 -0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.472 10.567 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.821 13.582 -1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.943 12.418 -2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.932 12.246 -3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.994 13.178 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.942 11.088 -5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.389 11.033 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.000 10.255 -3.636 1.00 0.00 H new ATOM 1146 N LYS A 72 3.868 10.588 1.671 1.00 0.00 N ATOM 1147 CA LYS A 72 2.561 10.845 2.296 1.00 0.00 C ATOM 1148 C LYS A 72 2.659 10.492 3.776 1.00 0.00 C ATOM 1149 O LYS A 72 1.692 10.565 4.508 1.00 0.00 O ATOM 1150 CB LYS A 72 1.522 9.942 1.635 1.00 0.00 C ATOM 1151 CG LYS A 72 0.337 10.781 1.181 1.00 0.00 C ATOM 1152 CD LYS A 72 0.833 11.967 0.357 1.00 0.00 C ATOM 1153 CE LYS A 72 -0.226 12.346 -0.679 1.00 0.00 C ATOM 1154 NZ LYS A 72 -0.093 11.461 -1.870 1.00 0.00 N ATOM 0 H LYS A 72 4.044 9.609 1.447 1.00 0.00 H new ATOM 0 HA LYS A 72 2.276 11.890 2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.963 9.425 0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.191 9.176 2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.345 10.173 0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.223 11.136 2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.039 12.816 1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.769 11.712 -0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.223 12.248 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.107 13.389 -0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.053 12.042 -2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.720 10.826 -1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.959 10.896 -1.981 1.00 0.00 H new ATOM 1168 N ILE A 73 3.817 10.071 4.220 1.00 0.00 N ATOM 1169 CA ILE A 73 3.951 9.674 5.641 1.00 0.00 C ATOM 1170 C ILE A 73 5.006 10.467 6.343 1.00 0.00 C ATOM 1171 O ILE A 73 4.828 10.934 7.451 1.00 0.00 O ATOM 1172 CB ILE A 73 4.463 8.245 5.765 1.00 0.00 C ATOM 1173 CG1 ILE A 73 4.249 7.446 4.472 1.00 0.00 C ATOM 1174 CG2 ILE A 73 3.804 7.617 6.964 1.00 0.00 C ATOM 1175 CD1 ILE A 73 3.151 6.392 4.632 1.00 0.00 C ATOM 0 H ILE A 73 4.665 9.988 3.659 1.00 0.00 H new ATOM 0 HA ILE A 73 2.958 9.820 6.067 1.00 0.00 H new ATOM 0 HB ILE A 73 5.543 8.244 5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.984 8.127 3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.182 6.959 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.154 6.591 7.076 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.057 8.186 7.858 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.723 7.619 6.827 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.030 5.848 3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.428 5.695 5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.212 6.881 4.892 1.00 0.00 H new ATOM 1187 N SER A 74 6.156 10.486 5.760 1.00 0.00 N ATOM 1188 CA SER A 74 7.286 11.094 6.447 1.00 0.00 C ATOM 1189 C SER A 74 6.869 12.395 7.141 1.00 0.00 C ATOM 1190 O SER A 74 6.672 12.435 8.340 1.00 0.00 O ATOM 1191 CB SER A 74 8.423 11.373 5.464 1.00 0.00 C ATOM 1192 OG SER A 74 8.161 10.703 4.237 1.00 0.00 O ATOM 0 H SER A 74 6.355 10.104 4.835 1.00 0.00 H new ATOM 0 HA SER A 74 7.635 10.392 7.204 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.516 12.445 5.293 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.371 11.034 5.881 1.00 0.00 H new ATOM 0 HG SER A 74 8.888 10.882 3.605 1.00 0.00 H new ATOM 1198 N GLN A 75 6.737 13.460 6.396 1.00 0.00 N ATOM 1199 CA GLN A 75 6.337 14.757 7.012 1.00 0.00 C ATOM 1200 C GLN A 75 4.820 14.780 7.216 1.00 0.00 C ATOM 1201 O GLN A 75 4.116 14.322 6.332 1.00 0.00 O ATOM 1202 CB GLN A 75 6.745 15.909 6.090 1.00 0.00 C ATOM 1203 CG GLN A 75 7.986 16.603 6.655 1.00 0.00 C ATOM 1204 CD GLN A 75 7.859 18.116 6.460 1.00 0.00 C ATOM 1205 OE1 GLN A 75 8.774 18.755 5.976 1.00 0.00 O ATOM 1206 NE2 GLN A 75 6.759 18.719 6.817 1.00 0.00 N ATOM 1207 OXT GLN A 75 4.389 15.255 8.254 1.00 0.00 O ATOM 0 H GLN A 75 6.889 13.487 5.388 1.00 0.00 H new ATOM 0 HA GLN A 75 6.835 14.869 7.975 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.951 15.531 5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.926 16.623 5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.095 16.370 7.714 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.881 16.235 6.154 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.992 18.183 7.223 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.666 19.727 6.690 1.00 0.00 H new