USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 MET CE :methyl -144:sc= -0.746 (180deg=-2.87!) USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 11 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.185 K(o=-0.18,f=-0.89) USER MOD Single : A 23 SER OG : rot 180:sc=-0.00734 USER MOD Single : A 29 GLN : amide:sc= -0.324 K(o=-0.32,f=-3!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 180:sc= 0.0112 USER MOD Single : A 40 THR OG1 : rot -170:sc= -1.89! USER MOD Single : A 42 HIS : no HD1:sc= -0.386 X(o=-0.39,f=0.0058) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.469 F(o=-2.4!,f=-0.47) USER MOD Single : A 51 SER OG : rot 34:sc= 0.214 USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= -0.696 (180deg=-1.76) USER MOD Single : A 54 LYS NZ :NH3+ 147:sc= -0.0317 (180deg=-0.451) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc=-0.000409 X(o=-0.00041,f=-0.41) USER MOD Single : A 82 SER OG : rot 164:sc= 1.59 USER MOD Single : A 83 SER OG : rot 91:sc= 0.0728 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 9 -7.920 11.217 -3.694 1.00 0.00 N ATOM 12 CA ASP A 9 -6.691 10.551 -3.277 1.00 0.00 C ATOM 13 C ASP A 9 -6.687 10.304 -1.771 1.00 0.00 C ATOM 14 O ASP A 9 -5.883 10.882 -1.037 1.00 0.00 O ATOM 15 CB ASP A 9 -5.474 11.389 -3.674 1.00 0.00 C ATOM 16 CG ASP A 9 -4.967 11.051 -5.063 1.00 0.00 C ATOM 17 OD1 ASP A 9 -5.782 11.054 -6.008 1.00 0.00 O ATOM 18 OD2 ASP A 9 -3.756 10.784 -5.203 1.00 0.00 O ATOM 0 HA ASP A 9 -6.640 9.587 -3.782 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.735 12.446 -3.633 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.675 11.230 -2.950 1.00 0.00 H new ATOM 23 N ARG A 10 -7.588 9.441 -1.315 1.00 0.00 N ATOM 24 CA ARG A 10 -7.687 9.114 0.102 1.00 0.00 C ATOM 25 C ARG A 10 -7.304 7.658 0.348 1.00 0.00 C ATOM 26 O ARG A 10 -7.332 6.837 -0.569 1.00 0.00 O ATOM 27 CB ARG A 10 -9.105 9.375 0.613 1.00 0.00 C ATOM 28 CG ARG A 10 -9.684 10.704 0.151 1.00 0.00 C ATOM 29 CD ARG A 10 -10.739 10.510 -0.926 1.00 0.00 C ATOM 30 NE ARG A 10 -12.093 10.546 -0.379 1.00 0.00 N ATOM 31 CZ ARG A 10 -13.162 10.071 -1.013 1.00 0.00 C ATOM 32 NH1 ARG A 10 -13.040 9.523 -2.216 1.00 0.00 N ATOM 33 NH2 ARG A 10 -14.358 10.145 -0.443 1.00 0.00 N ATOM 0 H ARG A 10 -8.261 8.955 -1.907 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.992 9.753 0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.757 8.568 0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.100 9.350 1.703 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.123 11.226 1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.884 11.337 -0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.633 11.288 -1.682 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.575 9.555 -1.426 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.227 10.960 0.544 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.123 9.464 -2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.863 9.161 -2.697 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.458 10.566 0.481 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.178 9.781 -0.929 1.00 0.00 H new ATOM 47 N LYS A 11 -6.948 7.343 1.590 1.00 0.00 N ATOM 48 CA LYS A 11 -6.562 5.984 1.949 1.00 0.00 C ATOM 49 C LYS A 11 -6.995 5.656 3.373 1.00 0.00 C ATOM 50 O LYS A 11 -7.089 6.540 4.221 1.00 0.00 O ATOM 51 CB LYS A 11 -5.048 5.807 1.811 1.00 0.00 C ATOM 52 CG LYS A 11 -4.244 6.703 2.739 1.00 0.00 C ATOM 53 CD LYS A 11 -2.865 6.996 2.171 1.00 0.00 C ATOM 54 CE LYS A 11 -1.820 7.107 3.269 1.00 0.00 C ATOM 55 NZ LYS A 11 -0.484 7.478 2.729 1.00 0.00 N ATOM 0 H LYS A 11 -6.919 8.009 2.362 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.064 5.298 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.792 4.767 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.759 6.013 0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.780 7.639 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.144 6.224 3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.581 6.205 1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.895 7.925 1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.137 7.853 3.998 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.747 6.157 3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.259 7.115 3.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.366 7.066 1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.410 8.514 2.667 1.00 0.00 H new ATOM 69 N LEU A 12 -7.274 4.381 3.624 1.00 0.00 N ATOM 70 CA LEU A 12 -7.717 3.945 4.934 1.00 0.00 C ATOM 71 C LEU A 12 -6.568 3.596 5.844 1.00 0.00 C ATOM 72 O LEU A 12 -5.547 3.048 5.429 1.00 0.00 O ATOM 73 CB LEU A 12 -8.644 2.753 4.792 1.00 0.00 C ATOM 74 CG LEU A 12 -9.956 3.130 4.150 1.00 0.00 C ATOM 75 CD1 LEU A 12 -10.107 2.471 2.787 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.130 2.789 5.055 1.00 0.00 C ATOM 0 H LEU A 12 -7.200 3.634 2.933 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.249 4.779 5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.156 1.983 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.832 2.321 5.775 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.954 4.210 4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.061 2.760 2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.295 2.793 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.073 1.388 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.061 3.072 4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.136 1.717 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.035 3.333 5.995 1.00 0.00 H new ATOM 88 N CYS A 13 -6.768 3.939 7.098 1.00 0.00 N ATOM 89 CA CYS A 13 -5.774 3.693 8.135 1.00 0.00 C ATOM 90 C CYS A 13 -6.434 3.256 9.437 1.00 0.00 C ATOM 91 O CYS A 13 -7.600 3.561 9.688 1.00 0.00 O ATOM 92 CB CYS A 13 -4.937 4.950 8.375 1.00 0.00 C ATOM 93 SG CYS A 13 -3.486 5.100 7.282 1.00 0.00 S ATOM 0 H CYS A 13 -7.617 4.394 7.432 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.124 2.888 7.792 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.571 5.826 8.241 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.600 4.956 9.411 1.00 0.00 H new ATOM 98 N ALA A 14 -5.675 2.543 10.262 1.00 0.00 N ATOM 99 CA ALA A 14 -6.174 2.064 11.544 1.00 0.00 C ATOM 100 C ALA A 14 -6.580 3.227 12.442 1.00 0.00 C ATOM 101 O ALA A 14 -5.810 3.660 13.297 1.00 0.00 O ATOM 102 CB ALA A 14 -5.118 1.212 12.230 1.00 0.00 C ATOM 0 H ALA A 14 -4.709 2.284 10.064 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.059 1.454 11.360 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.501 0.859 13.187 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.874 0.357 11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.221 1.808 12.396 1.00 0.00 H new ATOM 108 N ASP A 15 -7.792 3.730 12.238 1.00 0.00 N ATOM 109 CA ASP A 15 -8.296 4.847 13.030 1.00 0.00 C ATOM 110 C ASP A 15 -7.398 6.071 12.869 1.00 0.00 C ATOM 111 O ASP A 15 -6.450 6.056 12.084 1.00 0.00 O ATOM 112 CB ASP A 15 -8.389 4.454 14.505 1.00 0.00 C ATOM 113 CG ASP A 15 -9.748 3.888 14.866 1.00 0.00 C ATOM 114 OD1 ASP A 15 -10.692 4.685 15.052 1.00 0.00 O ATOM 115 OD2 ASP A 15 -9.868 2.650 14.964 1.00 0.00 O ATOM 0 H ASP A 15 -8.443 3.384 11.533 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.293 5.099 12.669 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.619 3.716 14.731 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.186 5.327 15.125 1.00 0.00 H new ATOM 120 N GLN A 16 -7.702 7.126 13.617 1.00 0.00 N ATOM 121 CA GLN A 16 -6.921 8.356 13.555 1.00 0.00 C ATOM 122 C GLN A 16 -5.532 8.151 14.151 1.00 0.00 C ATOM 123 O GLN A 16 -5.218 8.677 15.218 1.00 0.00 O ATOM 124 CB GLN A 16 -7.646 9.484 14.292 1.00 0.00 C ATOM 125 CG GLN A 16 -8.935 9.922 13.618 1.00 0.00 C ATOM 126 CD GLN A 16 -9.703 10.942 14.435 1.00 0.00 C ATOM 127 OE1 GLN A 16 -9.319 12.110 14.510 1.00 0.00 O ATOM 128 NE2 GLN A 16 -10.794 10.506 15.054 1.00 0.00 N ATOM 0 H GLN A 16 -8.483 7.154 14.273 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.808 8.632 12.507 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.870 9.158 15.308 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.978 10.342 14.372 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.704 10.345 12.640 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.566 9.050 13.447 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.075 9.530 14.964 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.350 11.147 15.619 1.00 0.00 H new ATOM 137 N GLU A 17 -4.701 7.383 13.453 1.00 0.00 N ATOM 138 CA GLU A 17 -3.345 7.109 13.910 1.00 0.00 C ATOM 139 C GLU A 17 -2.533 6.414 12.822 1.00 0.00 C ATOM 140 O GLU A 17 -1.431 6.846 12.484 1.00 0.00 O ATOM 141 CB GLU A 17 -3.373 6.248 15.174 1.00 0.00 C ATOM 142 CG GLU A 17 -2.179 6.472 16.088 1.00 0.00 C ATOM 143 CD GLU A 17 -2.587 6.782 17.516 1.00 0.00 C ATOM 144 OE1 GLU A 17 -3.180 5.897 18.169 1.00 0.00 O ATOM 145 OE2 GLU A 17 -2.312 7.909 17.981 1.00 0.00 O ATOM 0 H GLU A 17 -4.945 6.939 12.567 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.867 8.061 14.140 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.288 6.459 15.727 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.409 5.197 14.887 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.548 5.583 16.079 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.578 7.294 15.699 1.00 0.00 H new ATOM 152 N CYS A 18 -3.084 5.333 12.279 1.00 0.00 N ATOM 153 CA CYS A 18 -2.410 4.575 11.231 1.00 0.00 C ATOM 154 C CYS A 18 -1.078 4.025 11.728 1.00 0.00 C ATOM 155 O CYS A 18 -0.088 4.008 10.996 1.00 0.00 O ATOM 156 CB CYS A 18 -2.184 5.457 10.000 1.00 0.00 C ATOM 157 SG CYS A 18 -1.933 4.525 8.455 1.00 0.00 S ATOM 0 H CYS A 18 -3.996 4.962 12.547 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.049 3.736 10.956 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.042 6.119 9.878 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.315 6.091 10.175 1.00 0.00 H new ATOM 162 N SER A 19 -1.060 3.576 12.979 1.00 0.00 N ATOM 163 CA SER A 19 0.151 3.024 13.576 1.00 0.00 C ATOM 164 C SER A 19 0.308 1.549 13.225 1.00 0.00 C ATOM 165 O SER A 19 1.403 1.093 12.895 1.00 0.00 O ATOM 166 CB SER A 19 0.120 3.198 15.095 1.00 0.00 C ATOM 167 OG SER A 19 0.747 4.408 15.484 1.00 0.00 O ATOM 0 H SER A 19 -1.870 3.584 13.599 1.00 0.00 H new ATOM 0 HA SER A 19 1.005 3.567 13.172 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.913 3.192 15.444 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.622 2.356 15.571 1.00 0.00 H new ATOM 0 HG SER A 19 0.712 4.496 16.459 1.00 0.00 H new ATOM 173 N HIS A 20 -0.791 0.806 13.298 1.00 0.00 N ATOM 174 CA HIS A 20 -0.774 -0.619 12.988 1.00 0.00 C ATOM 175 C HIS A 20 -1.114 -0.861 11.519 1.00 0.00 C ATOM 176 O HIS A 20 -1.908 -0.126 10.929 1.00 0.00 O ATOM 177 CB HIS A 20 -1.761 -1.369 13.882 1.00 0.00 C ATOM 178 CG HIS A 20 -1.417 -1.305 15.338 1.00 0.00 C ATOM 179 ND1 HIS A 20 -0.349 -0.584 15.827 1.00 0.00 N ATOM 180 CD2 HIS A 20 -2.008 -1.876 16.414 1.00 0.00 C ATOM 181 CE1 HIS A 20 -0.296 -0.716 17.141 1.00 0.00 C ATOM 182 NE2 HIS A 20 -1.292 -1.495 17.522 1.00 0.00 N ATOM 0 H HIS A 20 -1.705 1.167 13.569 1.00 0.00 H new ATOM 0 HA HIS A 20 0.232 -0.994 13.176 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.759 -0.956 13.734 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.799 -2.413 13.571 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.880 -2.513 16.403 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.437 -0.264 17.792 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.496 -1.769 18.483 1.00 0.00 H new ATOM 191 N PRO A 21 -0.520 -1.900 10.908 1.00 0.00 N ATOM 192 CA PRO A 21 -0.768 -2.235 9.502 1.00 0.00 C ATOM 193 C PRO A 21 -2.161 -2.812 9.286 1.00 0.00 C ATOM 194 O PRO A 21 -2.932 -2.972 10.234 1.00 0.00 O ATOM 195 CB PRO A 21 0.300 -3.286 9.195 1.00 0.00 C ATOM 196 CG PRO A 21 0.595 -3.918 10.510 1.00 0.00 C ATOM 197 CD PRO A 21 0.438 -2.830 11.537 1.00 0.00 C ATOM 0 HA PRO A 21 -0.719 -1.358 8.857 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.062 -4.020 8.475 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.192 -2.831 8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.089 -4.743 10.708 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.604 -4.329 10.528 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.058 -3.221 12.481 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.388 -2.342 11.754 1.00 0.00 H new ATOM 205 N ILE A 22 -2.479 -3.127 8.036 1.00 0.00 N ATOM 206 CA ILE A 22 -3.780 -3.690 7.700 1.00 0.00 C ATOM 207 C ILE A 22 -3.762 -5.207 7.808 1.00 0.00 C ATOM 208 O ILE A 22 -4.664 -5.818 8.381 1.00 0.00 O ATOM 209 CB ILE A 22 -4.221 -3.285 6.266 1.00 0.00 C ATOM 210 CG1 ILE A 22 -5.574 -2.571 6.311 1.00 0.00 C ATOM 211 CG2 ILE A 22 -4.291 -4.499 5.333 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.544 -1.264 7.074 1.00 0.00 C ATOM 0 H ILE A 22 -1.854 -3.002 7.239 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.496 -3.286 8.416 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.470 -2.603 5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.908 -2.379 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.310 -3.233 6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.603 -4.177 4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.309 -4.967 5.271 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.011 -5.217 5.724 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.537 -0.814 7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.240 -1.451 8.104 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.833 -0.584 6.604 1.00 0.00 H new ATOM 224 N SER A 23 -2.741 -5.811 7.223 1.00 0.00 N ATOM 225 CA SER A 23 -2.621 -7.254 7.217 1.00 0.00 C ATOM 226 C SER A 23 -1.308 -7.685 6.589 1.00 0.00 C ATOM 227 O SER A 23 -0.415 -6.871 6.351 1.00 0.00 O ATOM 228 CB SER A 23 -3.792 -7.859 6.438 1.00 0.00 C ATOM 229 OG SER A 23 -3.725 -7.509 5.066 1.00 0.00 O ATOM 0 H SER A 23 -1.984 -5.321 6.746 1.00 0.00 H new ATOM 0 HA SER A 23 -2.640 -7.610 8.247 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.780 -8.944 6.541 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.734 -7.509 6.861 1.00 0.00 H new ATOM 0 HG SER A 23 -4.482 -7.908 4.589 1.00 0.00 H new ATOM 235 N MET A 24 -1.210 -8.971 6.324 1.00 0.00 N ATOM 236 CA MET A 24 -0.014 -9.544 5.714 1.00 0.00 C ATOM 237 C MET A 24 -0.374 -10.341 4.466 1.00 0.00 C ATOM 238 O MET A 24 -1.348 -11.093 4.462 1.00 0.00 O ATOM 239 CB MET A 24 0.716 -10.442 6.713 1.00 0.00 C ATOM 240 CG MET A 24 2.110 -10.846 6.262 1.00 0.00 C ATOM 241 SD MET A 24 2.154 -12.499 5.543 1.00 0.00 S ATOM 242 CE MET A 24 3.344 -13.302 6.615 1.00 0.00 C ATOM 0 H MET A 24 -1.946 -9.649 6.521 1.00 0.00 H new ATOM 0 HA MET A 24 0.645 -8.725 5.426 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.788 -9.924 7.669 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.123 -11.341 6.882 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.474 -10.125 5.530 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.789 -10.806 7.114 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.948 -13.998 6.032 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.991 -12.551 7.067 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.818 -13.847 7.399 1.00 0.00 H new ATOM 252 N ALA A 25 0.413 -10.175 3.408 1.00 0.00 N ATOM 253 CA ALA A 25 0.159 -10.886 2.162 1.00 0.00 C ATOM 254 C ALA A 25 1.450 -11.228 1.433 1.00 0.00 C ATOM 255 O ALA A 25 2.389 -10.435 1.397 1.00 0.00 O ATOM 256 CB ALA A 25 -0.759 -10.072 1.265 1.00 0.00 C ATOM 0 H ALA A 25 1.226 -9.559 3.389 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.333 -11.825 2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.939 -10.617 0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.707 -9.900 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.290 -9.115 1.038 1.00 0.00 H new ATOM 262 N VAL A 26 1.480 -12.423 0.855 1.00 0.00 N ATOM 263 CA VAL A 26 2.648 -12.892 0.122 1.00 0.00 C ATOM 264 C VAL A 26 2.460 -12.728 -1.382 1.00 0.00 C ATOM 265 O VAL A 26 1.342 -12.783 -1.890 1.00 0.00 O ATOM 266 CB VAL A 26 2.942 -14.371 0.430 1.00 0.00 C ATOM 267 CG1 VAL A 26 4.258 -14.801 -0.199 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.956 -14.611 1.933 1.00 0.00 C ATOM 0 H VAL A 26 0.706 -13.086 0.880 1.00 0.00 H new ATOM 0 HA VAL A 26 3.491 -12.282 0.447 1.00 0.00 H new ATOM 0 HB VAL A 26 2.147 -14.977 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.446 -15.850 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.204 -14.671 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.068 -14.191 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.165 -15.662 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.728 -13.994 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.985 -14.349 2.352 1.00 0.00 H new ATOM 278 N ALA A 27 3.566 -12.532 -2.084 1.00 0.00 N ATOM 279 CA ALA A 27 3.538 -12.362 -3.530 1.00 0.00 C ATOM 280 C ALA A 27 2.932 -13.581 -4.213 1.00 0.00 C ATOM 281 O ALA A 27 3.390 -14.706 -4.016 1.00 0.00 O ATOM 282 CB ALA A 27 4.942 -12.106 -4.056 1.00 0.00 C ATOM 0 H ALA A 27 4.499 -12.487 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 27 2.911 -11.500 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.908 -11.981 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.343 -11.202 -3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.583 -12.952 -3.809 1.00 0.00 H new ATOM 288 N LEU A 28 1.903 -13.350 -5.019 1.00 0.00 N ATOM 289 CA LEU A 28 1.236 -14.431 -5.733 1.00 0.00 C ATOM 290 C LEU A 28 1.909 -14.704 -7.078 1.00 0.00 C ATOM 291 O LEU A 28 1.525 -15.632 -7.787 1.00 0.00 O ATOM 292 CB LEU A 28 -0.243 -14.091 -5.943 1.00 0.00 C ATOM 293 CG LEU A 28 -1.228 -15.055 -5.279 1.00 0.00 C ATOM 294 CD1 LEU A 28 -2.612 -14.431 -5.199 1.00 0.00 C ATOM 295 CD2 LEU A 28 -1.277 -16.372 -6.039 1.00 0.00 C ATOM 0 H LEU A 28 1.513 -12.424 -5.194 1.00 0.00 H new ATOM 0 HA LEU A 28 1.313 -15.334 -5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.427 -13.087 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.447 -14.067 -7.014 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.884 -15.256 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.300 -15.131 -4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.564 -13.514 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.966 -14.200 -6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.982 -17.046 -5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.598 -16.189 -7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.286 -16.826 -6.044 1.00 0.00 H new ATOM 307 N GLN A 29 2.921 -13.897 -7.417 1.00 0.00 N ATOM 308 CA GLN A 29 3.662 -14.045 -8.662 1.00 0.00 C ATOM 309 C GLN A 29 4.508 -12.811 -8.954 1.00 0.00 C ATOM 310 O GLN A 29 4.396 -11.788 -8.277 1.00 0.00 O ATOM 311 CB GLN A 29 2.719 -14.312 -9.835 1.00 0.00 C ATOM 312 CG GLN A 29 2.574 -15.785 -10.148 1.00 0.00 C ATOM 313 CD GLN A 29 3.224 -16.179 -11.460 1.00 0.00 C ATOM 314 OE1 GLN A 29 3.790 -15.341 -12.163 1.00 0.00 O ATOM 315 NE2 GLN A 29 3.143 -17.460 -11.800 1.00 0.00 N ATOM 0 H GLN A 29 3.244 -13.126 -6.833 1.00 0.00 H new ATOM 0 HA GLN A 29 4.326 -14.901 -8.541 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.738 -13.895 -9.608 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.090 -13.792 -10.719 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.017 -16.368 -9.340 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.515 -16.041 -10.182 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.665 -18.121 -11.188 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.559 -17.783 -12.673 1.00 0.00 H new ATOM 324 N ASP A 30 5.356 -12.920 -9.972 1.00 0.00 N ATOM 325 CA ASP A 30 6.229 -11.821 -10.371 1.00 0.00 C ATOM 326 C ASP A 30 5.423 -10.683 -10.987 1.00 0.00 C ATOM 327 O ASP A 30 4.542 -10.911 -11.817 1.00 0.00 O ATOM 328 CB ASP A 30 7.280 -12.314 -11.366 1.00 0.00 C ATOM 329 CG ASP A 30 8.441 -11.349 -11.507 1.00 0.00 C ATOM 330 OD1 ASP A 30 8.748 -10.642 -10.524 1.00 0.00 O ATOM 331 OD2 ASP A 30 9.042 -11.298 -12.601 1.00 0.00 O ATOM 0 H ASP A 30 5.457 -13.762 -10.538 1.00 0.00 H new ATOM 0 HA ASP A 30 6.731 -11.445 -9.479 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.655 -13.285 -11.042 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.813 -12.461 -12.340 1.00 0.00 H new ATOM 336 N TYR A 31 5.727 -9.456 -10.575 1.00 0.00 N ATOM 337 CA TYR A 31 5.025 -8.285 -11.088 1.00 0.00 C ATOM 338 C TYR A 31 5.828 -7.010 -10.840 1.00 0.00 C ATOM 339 O TYR A 31 5.728 -6.399 -9.776 1.00 0.00 O ATOM 340 CB TYR A 31 3.642 -8.177 -10.438 1.00 0.00 C ATOM 341 CG TYR A 31 2.916 -6.887 -10.750 1.00 0.00 C ATOM 342 CD1 TYR A 31 2.644 -6.519 -12.061 1.00 0.00 C ATOM 343 CD2 TYR A 31 2.506 -6.039 -9.731 1.00 0.00 C ATOM 344 CE1 TYR A 31 1.981 -5.339 -12.346 1.00 0.00 C ATOM 345 CE2 TYR A 31 1.844 -4.859 -10.008 1.00 0.00 C ATOM 346 CZ TYR A 31 1.583 -4.514 -11.316 1.00 0.00 C ATOM 347 OH TYR A 31 0.924 -3.339 -11.597 1.00 0.00 O ATOM 0 H TYR A 31 6.453 -9.247 -9.889 1.00 0.00 H new ATOM 0 HA TYR A 31 4.905 -8.403 -12.165 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.030 -9.016 -10.769 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.751 -8.269 -9.357 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.955 -7.164 -12.870 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.708 -6.306 -8.704 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.776 -5.065 -13.370 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.532 -4.210 -9.203 1.00 0.00 H new ATOM 0 HH TYR A 31 0.712 -2.875 -10.760 1.00 0.00 H new ATOM 357 N MET A 32 6.626 -6.617 -11.827 1.00 0.00 N ATOM 358 CA MET A 32 7.444 -5.435 -11.726 1.00 0.00 C ATOM 359 C MET A 32 6.585 -4.178 -11.628 1.00 0.00 C ATOM 360 O MET A 32 5.517 -4.096 -12.235 1.00 0.00 O ATOM 361 CB MET A 32 8.382 -5.334 -12.930 1.00 0.00 C ATOM 362 CG MET A 32 9.782 -4.863 -12.572 1.00 0.00 C ATOM 363 SD MET A 32 10.773 -6.154 -11.796 1.00 0.00 S ATOM 364 CE MET A 32 12.425 -5.508 -12.039 1.00 0.00 C ATOM 0 H MET A 32 6.717 -7.114 -12.713 1.00 0.00 H new ATOM 0 HA MET A 32 8.038 -5.515 -10.816 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.448 -6.310 -13.412 1.00 0.00 H new ATOM 0 HB3 MET A 32 7.952 -4.647 -13.659 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.286 -4.516 -13.474 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.712 -4.009 -11.898 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.152 -6.198 -11.611 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.618 -5.394 -13.106 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.512 -4.539 -11.549 1.00 0.00 H new ATOM 374 N ALA A 33 7.057 -3.208 -10.848 1.00 0.00 N ATOM 375 CA ALA A 33 6.351 -1.954 -10.641 1.00 0.00 C ATOM 376 C ALA A 33 5.681 -1.454 -11.922 1.00 0.00 C ATOM 377 O ALA A 33 6.170 -1.700 -13.026 1.00 0.00 O ATOM 378 CB ALA A 33 7.307 -0.903 -10.099 1.00 0.00 C ATOM 0 H ALA A 33 7.941 -3.273 -10.343 1.00 0.00 H new ATOM 0 HA ALA A 33 5.561 -2.136 -9.913 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.770 0.033 -9.947 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.721 -1.243 -9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.116 -0.745 -10.812 1.00 0.00 H new ATOM 384 N PRO A 34 4.547 -0.744 -11.789 1.00 0.00 N ATOM 385 CA PRO A 34 3.807 -0.213 -12.936 1.00 0.00 C ATOM 386 C PRO A 34 4.511 0.970 -13.593 1.00 0.00 C ATOM 387 O PRO A 34 4.381 1.190 -14.797 1.00 0.00 O ATOM 388 CB PRO A 34 2.478 0.231 -12.324 1.00 0.00 C ATOM 389 CG PRO A 34 2.805 0.546 -10.906 1.00 0.00 C ATOM 390 CD PRO A 34 3.895 -0.411 -10.507 1.00 0.00 C ATOM 0 HA PRO A 34 3.704 -0.954 -13.729 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.075 1.102 -12.841 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.727 -0.556 -12.392 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.136 1.579 -10.803 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.929 0.427 -10.268 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.595 0.047 -9.808 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.491 -1.298 -10.019 1.00 0.00 H new ATOM 398 N ASP A 35 5.255 1.732 -12.795 1.00 0.00 N ATOM 399 CA ASP A 35 5.976 2.892 -13.305 1.00 0.00 C ATOM 400 C ASP A 35 6.761 3.570 -12.188 1.00 0.00 C ATOM 401 O ASP A 35 6.568 3.268 -11.011 1.00 0.00 O ATOM 402 CB ASP A 35 5.002 3.888 -13.940 1.00 0.00 C ATOM 403 CG ASP A 35 4.977 3.788 -15.452 1.00 0.00 C ATOM 404 OD1 ASP A 35 6.047 3.547 -16.049 1.00 0.00 O ATOM 405 OD2 ASP A 35 3.887 3.950 -16.040 1.00 0.00 O ATOM 0 H ASP A 35 5.373 1.567 -11.795 1.00 0.00 H new ATOM 0 HA ASP A 35 6.678 2.550 -14.066 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.000 3.710 -13.550 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.282 4.901 -13.650 1.00 0.00 H new ATOM 410 N CYS A 36 7.647 4.487 -12.563 1.00 0.00 N ATOM 411 CA CYS A 36 8.458 5.201 -11.585 1.00 0.00 C ATOM 412 C CYS A 36 9.268 4.215 -10.741 1.00 0.00 C ATOM 413 O CYS A 36 9.593 3.121 -11.202 1.00 0.00 O ATOM 414 CB CYS A 36 7.560 6.065 -10.693 1.00 0.00 C ATOM 415 SG CYS A 36 8.247 7.711 -10.321 1.00 0.00 S ATOM 0 H CYS A 36 7.821 4.752 -13.533 1.00 0.00 H new ATOM 0 HA CYS A 36 9.156 5.851 -12.112 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.593 6.188 -11.180 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.381 5.537 -9.756 1.00 0.00 H new ATOM 0 HG CYS A 36 7.417 8.367 -9.565 1.00 0.00 H new ATOM 420 N ARG A 37 9.590 4.598 -9.509 1.00 0.00 N ATOM 421 CA ARG A 37 10.356 3.735 -8.619 1.00 0.00 C ATOM 422 C ARG A 37 9.430 2.946 -7.698 1.00 0.00 C ATOM 423 O ARG A 37 9.741 2.729 -6.527 1.00 0.00 O ATOM 424 CB ARG A 37 11.338 4.567 -7.792 1.00 0.00 C ATOM 425 CG ARG A 37 12.732 4.639 -8.396 1.00 0.00 C ATOM 426 CD ARG A 37 12.937 5.928 -9.174 1.00 0.00 C ATOM 427 NE ARG A 37 13.550 6.972 -8.354 1.00 0.00 N ATOM 428 CZ ARG A 37 14.162 8.043 -8.853 1.00 0.00 C ATOM 429 NH1 ARG A 37 14.246 8.217 -10.167 1.00 0.00 N ATOM 430 NH2 ARG A 37 14.693 8.944 -8.038 1.00 0.00 N ATOM 0 H ARG A 37 9.332 5.499 -9.106 1.00 0.00 H new ATOM 0 HA ARG A 37 10.917 3.027 -9.229 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.945 5.578 -7.685 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.406 4.144 -6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.477 4.569 -7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.888 3.786 -9.056 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.567 5.731 -10.041 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.977 6.280 -9.551 1.00 0.00 H new ATOM 0 HE ARG A 37 13.506 6.873 -7.340 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.840 7.528 -10.800 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.716 9.040 -10.543 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.633 8.816 -7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.162 9.765 -8.421 1.00 0.00 H new ATOM 444 N PHE A 38 8.289 2.517 -8.233 1.00 0.00 N ATOM 445 CA PHE A 38 7.321 1.752 -7.453 1.00 0.00 C ATOM 446 C PHE A 38 7.964 0.499 -6.864 1.00 0.00 C ATOM 447 O PHE A 38 9.168 0.284 -6.998 1.00 0.00 O ATOM 448 CB PHE A 38 6.123 1.368 -8.325 1.00 0.00 C ATOM 449 CG PHE A 38 4.944 2.283 -8.157 1.00 0.00 C ATOM 450 CD1 PHE A 38 5.108 3.658 -8.181 1.00 0.00 C ATOM 451 CD2 PHE A 38 3.670 1.766 -7.978 1.00 0.00 C ATOM 452 CE1 PHE A 38 4.023 4.502 -8.029 1.00 0.00 C ATOM 453 CE2 PHE A 38 2.583 2.605 -7.824 1.00 0.00 C ATOM 454 CZ PHE A 38 2.760 3.974 -7.850 1.00 0.00 C ATOM 0 H PHE A 38 8.013 2.686 -9.200 1.00 0.00 H new ATOM 0 HA PHE A 38 6.976 2.379 -6.631 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.429 1.371 -9.371 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.820 0.349 -8.084 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.094 4.076 -8.320 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.526 0.696 -7.959 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.164 5.573 -8.050 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.596 2.190 -7.683 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.911 4.631 -7.730 1.00 0.00 H new ATOM 464 N LEU A 39 7.151 -0.325 -6.208 1.00 0.00 N ATOM 465 CA LEU A 39 7.639 -1.555 -5.594 1.00 0.00 C ATOM 466 C LEU A 39 7.094 -2.782 -6.321 1.00 0.00 C ATOM 467 O LEU A 39 5.882 -2.973 -6.411 1.00 0.00 O ATOM 468 CB LEU A 39 7.238 -1.601 -4.119 1.00 0.00 C ATOM 469 CG LEU A 39 7.905 -2.705 -3.297 1.00 0.00 C ATOM 470 CD1 LEU A 39 9.347 -2.337 -2.981 1.00 0.00 C ATOM 471 CD2 LEU A 39 7.124 -2.962 -2.016 1.00 0.00 C ATOM 0 H LEU A 39 6.151 -0.162 -6.088 1.00 0.00 H new ATOM 0 HA LEU A 39 8.726 -1.566 -5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.474 -0.639 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.157 -1.726 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 39 7.907 -3.621 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.806 -3.134 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.901 -2.204 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.369 -1.409 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.613 -3.750 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.090 -2.049 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.109 -3.271 -2.265 1.00 0.00 H new ATOM 483 N THR A 40 7.998 -3.610 -6.838 1.00 0.00 N ATOM 484 CA THR A 40 7.605 -4.816 -7.557 1.00 0.00 C ATOM 485 C THR A 40 7.245 -5.941 -6.597 1.00 0.00 C ATOM 486 O THR A 40 7.474 -5.845 -5.391 1.00 0.00 O ATOM 487 CB THR A 40 8.728 -5.276 -8.487 1.00 0.00 C ATOM 488 OG1 THR A 40 8.440 -6.554 -9.028 1.00 0.00 O ATOM 489 CG2 THR A 40 10.076 -5.363 -7.809 1.00 0.00 C ATOM 0 H THR A 40 9.006 -3.467 -6.772 1.00 0.00 H new ATOM 0 HA THR A 40 6.723 -4.572 -8.149 1.00 0.00 H new ATOM 0 HB THR A 40 8.781 -4.516 -9.266 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.232 -6.899 -9.490 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.824 -5.695 -8.528 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.354 -4.382 -7.424 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.024 -6.075 -6.985 1.00 0.00 H new ATOM 497 N ILE A 41 6.681 -7.009 -7.148 1.00 0.00 N ATOM 498 CA ILE A 41 6.285 -8.168 -6.355 1.00 0.00 C ATOM 499 C ILE A 41 6.755 -9.460 -7.017 1.00 0.00 C ATOM 500 O ILE A 41 6.272 -9.831 -8.085 1.00 0.00 O ATOM 501 CB ILE A 41 4.754 -8.214 -6.164 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.267 -6.941 -5.466 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.346 -9.446 -5.369 1.00 0.00 C ATOM 504 CD1 ILE A 41 3.491 -6.014 -6.375 1.00 0.00 C ATOM 0 H ILE A 41 6.487 -7.097 -8.145 1.00 0.00 H new ATOM 0 HA ILE A 41 6.757 -8.074 -5.377 1.00 0.00 H new ATOM 0 HB ILE A 41 4.287 -8.273 -7.147 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.638 -7.218 -4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.127 -6.406 -5.062 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.263 -9.458 -5.247 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.661 -10.343 -5.902 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.822 -9.420 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.177 -5.133 -5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.124 -5.707 -7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.612 -6.532 -6.759 1.00 0.00 H new ATOM 516 N HIS A 42 7.706 -10.139 -6.379 1.00 0.00 N ATOM 517 CA HIS A 42 8.246 -11.386 -6.912 1.00 0.00 C ATOM 518 C HIS A 42 7.734 -12.593 -6.130 1.00 0.00 C ATOM 519 O HIS A 42 7.496 -12.510 -4.926 1.00 0.00 O ATOM 520 CB HIS A 42 9.775 -11.357 -6.879 1.00 0.00 C ATOM 521 CG HIS A 42 10.412 -12.430 -7.706 1.00 0.00 C ATOM 522 ND1 HIS A 42 11.662 -12.947 -7.435 1.00 0.00 N ATOM 523 CD2 HIS A 42 9.967 -13.086 -8.804 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.958 -13.873 -8.329 1.00 0.00 C ATOM 525 NE2 HIS A 42 10.947 -13.976 -9.171 1.00 0.00 N ATOM 0 H HIS A 42 8.118 -9.846 -5.493 1.00 0.00 H new ATOM 0 HA HIS A 42 7.908 -11.481 -7.944 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.119 -10.385 -7.232 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.110 -11.458 -5.847 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.019 -12.937 -9.299 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.872 -14.448 -8.365 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.901 -14.613 -9.966 1.00 0.00 H new ATOM 534 N ARG A 43 7.568 -13.715 -6.829 1.00 0.00 N ATOM 535 CA ARG A 43 7.084 -14.950 -6.216 1.00 0.00 C ATOM 536 C ARG A 43 7.770 -15.224 -4.878 1.00 0.00 C ATOM 537 O ARG A 43 8.891 -14.776 -4.636 1.00 0.00 O ATOM 538 CB ARG A 43 7.321 -16.136 -7.160 1.00 0.00 C ATOM 539 CG ARG A 43 6.063 -16.656 -7.843 1.00 0.00 C ATOM 540 CD ARG A 43 4.897 -16.774 -6.873 1.00 0.00 C ATOM 541 NE ARG A 43 3.904 -17.746 -7.324 1.00 0.00 N ATOM 542 CZ ARG A 43 2.843 -18.109 -6.604 1.00 0.00 C ATOM 543 NH1 ARG A 43 2.636 -17.583 -5.403 1.00 0.00 N ATOM 544 NH2 ARG A 43 1.988 -19.000 -7.088 1.00 0.00 N ATOM 0 H ARG A 43 7.763 -13.793 -7.827 1.00 0.00 H new ATOM 0 HA ARG A 43 6.016 -14.828 -6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.039 -15.839 -7.925 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.776 -16.950 -6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.790 -15.987 -8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.267 -17.631 -8.285 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.270 -17.066 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.423 -15.799 -6.756 1.00 0.00 H new ATOM 0 HE ARG A 43 4.030 -18.171 -8.243 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.291 -16.897 -5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.822 -17.865 -4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.143 -19.407 -8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.176 -19.279 -6.538 1.00 0.00 H new ATOM 558 N GLY A 44 7.085 -15.975 -4.022 1.00 0.00 N ATOM 559 CA GLY A 44 7.630 -16.323 -2.720 1.00 0.00 C ATOM 560 C GLY A 44 8.193 -15.131 -1.967 1.00 0.00 C ATOM 561 O GLY A 44 9.302 -15.194 -1.437 1.00 0.00 O ATOM 0 H GLY A 44 6.155 -16.352 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.848 -16.788 -2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.416 -17.066 -2.850 1.00 0.00 H new ATOM 565 N GLN A 45 7.428 -14.047 -1.913 1.00 0.00 N ATOM 566 CA GLN A 45 7.860 -12.844 -1.212 1.00 0.00 C ATOM 567 C GLN A 45 6.739 -12.299 -0.336 1.00 0.00 C ATOM 568 O GLN A 45 5.729 -11.808 -0.840 1.00 0.00 O ATOM 569 CB GLN A 45 8.310 -11.777 -2.210 1.00 0.00 C ATOM 570 CG GLN A 45 9.350 -10.820 -1.649 1.00 0.00 C ATOM 571 CD GLN A 45 10.068 -10.038 -2.732 1.00 0.00 C ATOM 572 OE1 GLN A 45 9.364 -9.096 -3.348 1.00 0.00 O flip ATOM 573 NE2 GLN A 45 11.243 -10.279 -3.012 1.00 0.00 N flip ATOM 0 H GLN A 45 6.507 -13.976 -2.345 1.00 0.00 H new ATOM 0 HA GLN A 45 8.703 -13.107 -0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.718 -12.267 -3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.441 -11.206 -2.535 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.866 -10.124 -0.964 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.080 -11.383 -1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.746 -11.012 -2.513 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.713 -9.745 -3.743 1.00 0.00 H new ATOM 582 N VAL A 46 6.920 -12.388 0.978 1.00 0.00 N ATOM 583 CA VAL A 46 5.920 -11.902 1.917 1.00 0.00 C ATOM 584 C VAL A 46 5.849 -10.381 1.886 1.00 0.00 C ATOM 585 O VAL A 46 6.812 -9.715 1.506 1.00 0.00 O ATOM 586 CB VAL A 46 6.229 -12.373 3.352 1.00 0.00 C ATOM 587 CG1 VAL A 46 5.171 -11.871 4.325 1.00 0.00 C ATOM 588 CG2 VAL A 46 6.333 -13.889 3.403 1.00 0.00 C ATOM 0 H VAL A 46 7.749 -12.792 1.414 1.00 0.00 H new ATOM 0 HA VAL A 46 4.957 -12.313 1.613 1.00 0.00 H new ATOM 0 HB VAL A 46 7.189 -11.953 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.409 -12.215 5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.150 -10.781 4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.195 -12.256 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.552 -14.205 4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.389 -14.329 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.133 -14.221 2.741 1.00 0.00 H new ATOM 598 N VAL A 47 4.705 -9.834 2.283 1.00 0.00 N ATOM 599 CA VAL A 47 4.507 -8.407 2.297 1.00 0.00 C ATOM 600 C VAL A 47 3.532 -7.996 3.394 1.00 0.00 C ATOM 601 O VAL A 47 2.619 -8.745 3.740 1.00 0.00 O ATOM 602 CB VAL A 47 3.986 -7.890 0.940 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.234 -6.399 0.785 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.605 -8.663 -0.217 1.00 0.00 C ATOM 0 H VAL A 47 3.899 -10.372 2.601 1.00 0.00 H new ATOM 0 HA VAL A 47 5.481 -7.960 2.494 1.00 0.00 H new ATOM 0 HB VAL A 47 2.909 -8.055 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.856 -6.066 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.721 -5.860 1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.304 -6.200 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.219 -8.277 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.689 -8.547 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.351 -9.719 -0.126 1.00 0.00 H new ATOM 614 N TYR A 48 3.729 -6.798 3.936 1.00 0.00 N ATOM 615 CA TYR A 48 2.865 -6.285 4.994 1.00 0.00 C ATOM 616 C TYR A 48 2.231 -4.960 4.582 1.00 0.00 C ATOM 617 O TYR A 48 2.906 -3.932 4.515 1.00 0.00 O ATOM 618 CB TYR A 48 3.660 -6.102 6.287 1.00 0.00 C ATOM 619 CG TYR A 48 4.091 -7.403 6.924 1.00 0.00 C ATOM 620 CD1 TYR A 48 4.939 -8.279 6.256 1.00 0.00 C ATOM 621 CD2 TYR A 48 3.651 -7.757 8.194 1.00 0.00 C ATOM 622 CE1 TYR A 48 5.334 -9.470 6.835 1.00 0.00 C ATOM 623 CE2 TYR A 48 4.044 -8.945 8.779 1.00 0.00 C ATOM 624 CZ TYR A 48 4.885 -9.798 8.095 1.00 0.00 C ATOM 625 OH TYR A 48 5.277 -10.983 8.675 1.00 0.00 O ATOM 0 H TYR A 48 4.479 -6.164 3.660 1.00 0.00 H new ATOM 0 HA TYR A 48 2.070 -7.011 5.164 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.544 -5.500 6.077 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.054 -5.542 6.999 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.295 -8.025 5.269 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.991 -7.093 8.732 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.992 -10.140 6.302 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.694 -9.205 9.767 1.00 0.00 H new ATOM 0 HH TYR A 48 4.873 -11.061 9.564 1.00 0.00 H new ATOM 635 N VAL A 49 0.931 -4.991 4.308 1.00 0.00 N ATOM 636 CA VAL A 49 0.208 -3.792 3.904 1.00 0.00 C ATOM 637 C VAL A 49 0.070 -2.817 5.068 1.00 0.00 C ATOM 638 O VAL A 49 -0.244 -3.213 6.191 1.00 0.00 O ATOM 639 CB VAL A 49 -1.194 -4.134 3.367 1.00 0.00 C ATOM 640 CG1 VAL A 49 -1.858 -2.900 2.775 1.00 0.00 C ATOM 641 CG2 VAL A 49 -1.112 -5.251 2.337 1.00 0.00 C ATOM 0 H VAL A 49 0.357 -5.833 4.358 1.00 0.00 H new ATOM 0 HA VAL A 49 0.789 -3.326 3.108 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.806 -4.481 4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.848 -3.163 2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.953 -2.133 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.250 -2.518 1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.112 -5.480 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.482 -4.934 1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.683 -6.141 2.798 1.00 0.00 H new ATOM 651 N PHE A 50 0.309 -1.540 4.791 1.00 0.00 N ATOM 652 CA PHE A 50 0.214 -0.506 5.814 1.00 0.00 C ATOM 653 C PHE A 50 -0.998 0.390 5.578 1.00 0.00 C ATOM 654 O PHE A 50 -1.492 1.035 6.502 1.00 0.00 O ATOM 655 CB PHE A 50 1.492 0.336 5.836 1.00 0.00 C ATOM 656 CG PHE A 50 2.087 0.487 7.206 1.00 0.00 C ATOM 657 CD1 PHE A 50 1.513 1.337 8.135 1.00 0.00 C ATOM 658 CD2 PHE A 50 3.221 -0.226 7.566 1.00 0.00 C ATOM 659 CE1 PHE A 50 2.057 1.478 9.398 1.00 0.00 C ATOM 660 CE2 PHE A 50 3.771 -0.089 8.826 1.00 0.00 C ATOM 661 CZ PHE A 50 3.189 0.764 9.743 1.00 0.00 C ATOM 0 H PHE A 50 0.570 -1.196 3.867 1.00 0.00 H new ATOM 0 HA PHE A 50 0.093 -0.997 6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.230 -0.121 5.177 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.273 1.325 5.433 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.629 1.897 7.870 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.679 -0.896 6.853 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.599 2.145 10.113 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.655 -0.648 9.094 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.618 0.873 10.728 1.00 0.00 H new ATOM 671 N SER A 51 -1.475 0.428 4.336 1.00 0.00 N ATOM 672 CA SER A 51 -2.629 1.252 3.993 1.00 0.00 C ATOM 673 C SER A 51 -3.325 0.726 2.741 1.00 0.00 C ATOM 674 O SER A 51 -2.780 -0.104 2.016 1.00 0.00 O ATOM 675 CB SER A 51 -2.199 2.703 3.777 1.00 0.00 C ATOM 676 OG SER A 51 -2.280 3.444 4.984 1.00 0.00 O ATOM 0 H SER A 51 -1.083 -0.099 3.556 1.00 0.00 H new ATOM 0 HA SER A 51 -3.333 1.207 4.824 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.178 2.730 3.398 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.833 3.165 3.020 1.00 0.00 H new ATOM 0 HG SER A 51 -2.054 2.863 5.740 1.00 0.00 H new ATOM 682 N LYS A 52 -4.535 1.221 2.497 1.00 0.00 N ATOM 683 CA LYS A 52 -5.311 0.808 1.333 1.00 0.00 C ATOM 684 C LYS A 52 -5.923 2.018 0.635 1.00 0.00 C ATOM 685 O LYS A 52 -7.091 2.344 0.847 1.00 0.00 O ATOM 686 CB LYS A 52 -6.413 -0.168 1.750 1.00 0.00 C ATOM 687 CG LYS A 52 -7.210 -0.722 0.580 1.00 0.00 C ATOM 688 CD LYS A 52 -8.699 -0.757 0.884 1.00 0.00 C ATOM 689 CE LYS A 52 -9.066 -1.959 1.738 1.00 0.00 C ATOM 690 NZ LYS A 52 -8.461 -1.882 3.096 1.00 0.00 N ATOM 0 H LYS A 52 -4.999 1.909 3.090 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.639 0.308 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.965 -0.997 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.093 0.337 2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.033 -0.110 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.862 -1.728 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.987 0.159 1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.261 -0.787 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.150 -2.023 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.732 -2.871 1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.992 -2.494 3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.471 -2.198 3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.496 -0.900 3.437 1.00 0.00 H new ATOM 704 N LEU A 53 -5.125 2.681 -0.196 1.00 0.00 N ATOM 705 CA LEU A 53 -5.587 3.858 -0.923 1.00 0.00 C ATOM 706 C LEU A 53 -6.777 3.518 -1.813 1.00 0.00 C ATOM 707 O LEU A 53 -6.724 2.580 -2.608 1.00 0.00 O ATOM 708 CB LEU A 53 -4.450 4.437 -1.769 1.00 0.00 C ATOM 709 CG LEU A 53 -4.606 5.914 -2.138 1.00 0.00 C ATOM 710 CD1 LEU A 53 -3.291 6.655 -1.949 1.00 0.00 C ATOM 711 CD2 LEU A 53 -5.098 6.057 -3.570 1.00 0.00 C ATOM 0 H LEU A 53 -4.156 2.423 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.906 4.603 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.513 4.311 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.368 3.855 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.348 6.357 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.422 7.703 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.979 6.583 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.528 6.211 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.203 7.114 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.380 5.597 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.064 5.563 -3.674 1.00 0.00 H new ATOM 723 N LYS A 54 -7.851 4.290 -1.676 1.00 0.00 N ATOM 724 CA LYS A 54 -9.055 4.071 -2.469 1.00 0.00 C ATOM 725 C LYS A 54 -9.553 5.383 -3.074 1.00 0.00 C ATOM 726 O LYS A 54 -8.808 6.358 -3.160 1.00 0.00 O ATOM 727 CB LYS A 54 -10.147 3.427 -1.608 1.00 0.00 C ATOM 728 CG LYS A 54 -10.756 4.370 -0.584 1.00 0.00 C ATOM 729 CD LYS A 54 -12.015 3.782 0.035 1.00 0.00 C ATOM 730 CE LYS A 54 -13.201 3.886 -0.910 1.00 0.00 C ATOM 731 NZ LYS A 54 -13.514 2.581 -1.555 1.00 0.00 N ATOM 0 H LYS A 54 -7.912 5.072 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.810 3.393 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.937 3.053 -2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.727 2.565 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.027 4.578 0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.993 5.322 -1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.842 2.736 0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.242 4.304 0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.074 4.237 -0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.988 4.629 -1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.540 2.508 -1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.019 2.517 -2.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.202 1.805 -0.937 1.00 0.00 H new ATOM 745 N GLY A 55 -10.814 5.398 -3.499 1.00 0.00 N ATOM 746 CA GLY A 55 -11.378 6.593 -4.097 1.00 0.00 C ATOM 747 C GLY A 55 -11.008 6.722 -5.561 1.00 0.00 C ATOM 748 O GLY A 55 -11.879 6.771 -6.428 1.00 0.00 O ATOM 0 H GLY A 55 -11.453 4.605 -3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.463 6.571 -3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.026 7.471 -3.555 1.00 0.00 H new ATOM 752 N ARG A 56 -9.708 6.766 -5.833 1.00 0.00 N ATOM 753 CA ARG A 56 -9.213 6.877 -7.198 1.00 0.00 C ATOM 754 C ARG A 56 -8.491 5.599 -7.623 1.00 0.00 C ATOM 755 O ARG A 56 -8.179 5.416 -8.800 1.00 0.00 O ATOM 756 CB ARG A 56 -8.271 8.075 -7.325 1.00 0.00 C ATOM 757 CG ARG A 56 -8.353 8.773 -8.673 1.00 0.00 C ATOM 758 CD ARG A 56 -9.349 9.921 -8.647 1.00 0.00 C ATOM 759 NE ARG A 56 -10.721 9.461 -8.850 1.00 0.00 N ATOM 760 CZ ARG A 56 -11.233 9.160 -10.041 1.00 0.00 C ATOM 761 NH1 ARG A 56 -10.491 9.265 -11.136 1.00 0.00 N ATOM 762 NH2 ARG A 56 -12.490 8.750 -10.137 1.00 0.00 N ATOM 0 H ARG A 56 -8.977 6.726 -5.123 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.069 7.025 -7.857 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.502 8.793 -6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.247 7.740 -7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.368 9.151 -8.949 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.645 8.054 -9.439 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.279 10.440 -7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.090 10.643 -9.422 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.321 9.365 -8.031 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.523 9.578 -11.068 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.889 9.033 -12.046 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.064 8.665 -9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.883 8.519 -11.050 1.00 0.00 H new ATOM 776 N GLY A 57 -8.227 4.716 -6.660 1.00 0.00 N ATOM 777 CA GLY A 57 -7.545 3.471 -6.963 1.00 0.00 C ATOM 778 C GLY A 57 -7.553 2.503 -5.794 1.00 0.00 C ATOM 779 O GLY A 57 -6.532 2.307 -5.136 1.00 0.00 O ATOM 0 H GLY A 57 -8.473 4.842 -5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.021 3.000 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.514 3.685 -7.246 1.00 0.00 H new ATOM 783 N ARG A 58 -8.708 1.898 -5.535 1.00 0.00 N ATOM 784 CA ARG A 58 -8.849 0.946 -4.440 1.00 0.00 C ATOM 785 C ARG A 58 -7.759 -0.123 -4.488 1.00 0.00 C ATOM 786 O ARG A 58 -7.214 -0.512 -3.456 1.00 0.00 O ATOM 787 CB ARG A 58 -10.227 0.286 -4.495 1.00 0.00 C ATOM 788 CG ARG A 58 -10.689 -0.268 -3.157 1.00 0.00 C ATOM 789 CD ARG A 58 -10.847 -1.780 -3.203 1.00 0.00 C ATOM 790 NE ARG A 58 -10.721 -2.385 -1.880 1.00 0.00 N ATOM 791 CZ ARG A 58 -11.701 -2.412 -0.980 1.00 0.00 C ATOM 792 NH1 ARG A 58 -12.880 -1.865 -1.256 1.00 0.00 N ATOM 793 NH2 ARG A 58 -11.505 -2.985 0.198 1.00 0.00 N ATOM 0 H ARG A 58 -9.562 2.051 -6.071 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.745 1.494 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.956 1.015 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.205 -0.523 -5.226 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.970 0.000 -2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.639 0.190 -2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.821 -2.030 -3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.094 -2.203 -3.868 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.829 -2.812 -1.631 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.037 -1.422 -2.161 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.628 -1.888 -0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.602 -3.406 0.416 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.257 -3.005 0.887 1.00 0.00 H new ATOM 807 N LEU A 59 -7.458 -0.602 -5.691 1.00 0.00 N ATOM 808 CA LEU A 59 -6.448 -1.633 -5.878 1.00 0.00 C ATOM 809 C LEU A 59 -5.069 -1.167 -5.417 1.00 0.00 C ATOM 810 O LEU A 59 -4.219 -1.981 -5.057 1.00 0.00 O ATOM 811 CB LEU A 59 -6.389 -2.056 -7.347 1.00 0.00 C ATOM 812 CG LEU A 59 -6.215 -0.910 -8.345 1.00 0.00 C ATOM 813 CD1 LEU A 59 -4.747 -0.731 -8.701 1.00 0.00 C ATOM 814 CD2 LEU A 59 -7.040 -1.162 -9.597 1.00 0.00 C ATOM 0 H LEU A 59 -7.903 -0.289 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.735 -2.487 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.564 -2.757 -7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.305 -2.594 -7.591 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.571 0.009 -7.878 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.642 0.089 -9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.179 -0.504 -7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.366 -1.650 -9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.903 -0.336 -10.295 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.715 -2.091 -10.066 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.094 -1.240 -9.329 1.00 0.00 H new ATOM 826 N PHE A 60 -4.851 0.141 -5.434 1.00 0.00 N ATOM 827 CA PHE A 60 -3.573 0.710 -5.023 1.00 0.00 C ATOM 828 C PHE A 60 -3.343 0.507 -3.530 1.00 0.00 C ATOM 829 O PHE A 60 -3.426 1.447 -2.739 1.00 0.00 O ATOM 830 CB PHE A 60 -3.512 2.200 -5.377 1.00 0.00 C ATOM 831 CG PHE A 60 -2.489 2.528 -6.428 1.00 0.00 C ATOM 832 CD1 PHE A 60 -2.275 1.674 -7.499 1.00 0.00 C ATOM 833 CD2 PHE A 60 -1.743 3.692 -6.345 1.00 0.00 C ATOM 834 CE1 PHE A 60 -1.337 1.976 -8.467 1.00 0.00 C ATOM 835 CE2 PHE A 60 -0.803 4.000 -7.311 1.00 0.00 C ATOM 836 CZ PHE A 60 -0.599 3.140 -8.373 1.00 0.00 C ATOM 0 H PHE A 60 -5.543 0.830 -5.728 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.780 0.191 -5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -4.494 2.523 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.290 2.770 -4.475 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.848 0.762 -7.577 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.897 4.367 -5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.181 1.303 -9.297 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.229 4.912 -7.236 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.136 3.377 -9.128 1.00 0.00 H new ATOM 846 N TRP A 61 -3.053 -0.733 -3.155 1.00 0.00 N ATOM 847 CA TRP A 61 -2.809 -1.079 -1.758 1.00 0.00 C ATOM 848 C TRP A 61 -1.376 -0.747 -1.357 1.00 0.00 C ATOM 849 O TRP A 61 -0.423 -1.250 -1.952 1.00 0.00 O ATOM 850 CB TRP A 61 -3.080 -2.566 -1.523 1.00 0.00 C ATOM 851 CG TRP A 61 -4.538 -2.902 -1.471 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.530 -2.363 -2.235 1.00 0.00 C ATOM 853 CD2 TRP A 61 -5.169 -3.857 -0.609 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.737 -2.918 -1.905 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.545 -3.840 -0.908 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.706 -4.723 0.385 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.460 -4.655 -0.248 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.616 -5.532 1.039 1.00 0.00 C ATOM 859 CH2 TRP A 61 -6.979 -5.494 0.721 1.00 0.00 C ATOM 0 H TRP A 61 -2.981 -1.519 -3.801 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.488 -0.489 -1.142 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.609 -3.144 -2.318 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.611 -2.870 -0.587 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.385 -1.607 -2.992 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.634 -2.684 -2.331 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.657 -4.760 0.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.512 -4.627 -0.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.270 -6.205 1.809 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -7.664 -6.139 1.251 1.00 0.00 H new ATOM 870 N GLY A 62 -1.231 0.097 -0.341 1.00 0.00 N ATOM 871 CA GLY A 62 0.090 0.476 0.125 1.00 0.00 C ATOM 872 C GLY A 62 0.639 -0.498 1.147 1.00 0.00 C ATOM 873 O GLY A 62 0.035 -0.712 2.198 1.00 0.00 O ATOM 0 H GLY A 62 -2.004 0.525 0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.771 0.531 -0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.046 1.473 0.563 1.00 0.00 H new ATOM 877 N GLY A 63 1.788 -1.093 0.840 1.00 0.00 N ATOM 878 CA GLY A 63 2.391 -2.045 1.752 1.00 0.00 C ATOM 879 C GLY A 63 3.904 -2.061 1.670 1.00 0.00 C ATOM 880 O GLY A 63 4.521 -1.099 1.214 1.00 0.00 O ATOM 0 H GLY A 63 2.310 -0.933 -0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.090 -1.805 2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.009 -3.042 1.533 1.00 0.00 H new ATOM 884 N SER A 64 4.502 -3.161 2.116 1.00 0.00 N ATOM 885 CA SER A 64 5.952 -3.310 2.096 1.00 0.00 C ATOM 886 C SER A 64 6.329 -4.783 2.114 1.00 0.00 C ATOM 887 O SER A 64 5.804 -5.554 2.918 1.00 0.00 O ATOM 888 CB SER A 64 6.578 -2.591 3.294 1.00 0.00 C ATOM 889 OG SER A 64 5.622 -2.375 4.316 1.00 0.00 O ATOM 0 H SER A 64 4.002 -3.965 2.497 1.00 0.00 H new ATOM 0 HA SER A 64 6.335 -2.860 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.406 -3.183 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.993 -1.636 2.972 1.00 0.00 H new ATOM 0 HG SER A 64 6.047 -1.916 5.070 1.00 0.00 H new ATOM 895 N VAL A 65 7.233 -5.179 1.228 1.00 0.00 N ATOM 896 CA VAL A 65 7.657 -6.545 1.146 1.00 0.00 C ATOM 897 C VAL A 65 8.574 -6.893 2.299 1.00 0.00 C ATOM 898 O VAL A 65 9.365 -6.074 2.767 1.00 0.00 O ATOM 899 CB VAL A 65 8.385 -6.847 -0.175 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.436 -7.463 -1.190 1.00 0.00 C ATOM 901 CG2 VAL A 65 9.058 -5.605 -0.749 1.00 0.00 C ATOM 0 H VAL A 65 7.683 -4.557 0.556 1.00 0.00 H new ATOM 0 HA VAL A 65 6.754 -7.153 1.192 1.00 0.00 H new ATOM 0 HB VAL A 65 9.169 -7.571 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.975 -7.667 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.032 -8.394 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.619 -6.770 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.561 -5.862 -1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.306 -4.840 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.789 -5.225 -0.036 1.00 0.00 H new ATOM 911 N GLN A 66 8.445 -8.120 2.742 1.00 0.00 N ATOM 912 CA GLN A 66 9.243 -8.637 3.850 1.00 0.00 C ATOM 913 C GLN A 66 10.733 -8.421 3.600 1.00 0.00 C ATOM 914 O GLN A 66 11.164 -8.256 2.459 1.00 0.00 O ATOM 915 CB GLN A 66 8.963 -10.125 4.053 1.00 0.00 C ATOM 916 CG GLN A 66 9.311 -10.977 2.845 1.00 0.00 C ATOM 917 CD GLN A 66 9.958 -12.294 3.225 1.00 0.00 C ATOM 918 OE1 GLN A 66 9.539 -12.951 4.178 1.00 0.00 O ATOM 919 NE2 GLN A 66 10.986 -12.685 2.482 1.00 0.00 N ATOM 0 H GLN A 66 7.787 -8.795 2.352 1.00 0.00 H new ATOM 0 HA GLN A 66 8.962 -8.091 4.751 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.531 -10.479 4.913 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.908 -10.259 4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.405 -11.174 2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.985 -10.420 2.195 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.299 -12.108 1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.462 -13.562 2.692 1.00 0.00 H new ATOM 928 N GLY A 67 11.514 -8.423 4.676 1.00 0.00 N ATOM 929 CA GLY A 67 12.947 -8.227 4.554 1.00 0.00 C ATOM 930 C GLY A 67 13.700 -9.532 4.391 1.00 0.00 C ATOM 931 O GLY A 67 13.097 -10.606 4.367 1.00 0.00 O ATOM 0 H GLY A 67 11.180 -8.557 5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.151 -7.584 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.316 -7.707 5.438 1.00 0.00 H new ATOM 1047 N ARG A 76 10.948 0.539 1.528 1.00 0.00 N ATOM 1048 CA ARG A 76 10.253 1.485 0.661 1.00 0.00 C ATOM 1049 C ARG A 76 8.813 1.044 0.418 1.00 0.00 C ATOM 1050 O ARG A 76 8.544 0.227 -0.463 1.00 0.00 O ATOM 1051 CB ARG A 76 10.988 1.623 -0.673 1.00 0.00 C ATOM 1052 CG ARG A 76 12.127 2.631 -0.638 1.00 0.00 C ATOM 1053 CD ARG A 76 13.474 1.947 -0.460 1.00 0.00 C ATOM 1054 NE ARG A 76 14.460 2.420 -1.428 1.00 0.00 N ATOM 1055 CZ ARG A 76 14.506 2.019 -2.696 1.00 0.00 C ATOM 1056 NH1 ARG A 76 13.625 1.138 -3.152 1.00 0.00 N ATOM 1057 NH2 ARG A 76 15.435 2.500 -3.510 1.00 0.00 N ATOM 0 HA ARG A 76 10.238 2.453 1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.384 0.650 -0.963 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.275 1.919 -1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.131 3.209 -1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.965 3.336 0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.842 2.128 0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.350 0.869 -0.566 1.00 0.00 H new ATOM 0 HE ARG A 76 15.154 3.098 -1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.908 0.765 -2.530 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.665 0.834 -4.125 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.115 3.178 -3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.470 2.193 -4.482 1.00 0.00 H new ATOM 1071 N LEU A 77 7.890 1.590 1.203 1.00 0.00 N ATOM 1072 CA LEU A 77 6.477 1.255 1.073 1.00 0.00 C ATOM 1073 C LEU A 77 5.964 1.605 -0.322 1.00 0.00 C ATOM 1074 O LEU A 77 6.178 2.714 -0.813 1.00 0.00 O ATOM 1075 CB LEU A 77 5.656 1.990 2.136 1.00 0.00 C ATOM 1076 CG LEU A 77 5.065 1.096 3.230 1.00 0.00 C ATOM 1077 CD1 LEU A 77 5.230 1.743 4.597 1.00 0.00 C ATOM 1078 CD2 LEU A 77 3.597 0.809 2.949 1.00 0.00 C ATOM 0 H LEU A 77 8.096 2.268 1.937 1.00 0.00 H new ATOM 0 HA LEU A 77 6.366 0.181 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.289 2.743 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.842 2.521 1.642 1.00 0.00 H new ATOM 0 HG LEU A 77 5.607 0.150 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.804 1.093 5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.290 1.897 4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.715 2.703 4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.193 0.172 3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.042 1.747 2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.503 0.302 1.989 1.00 0.00 H new ATOM 1090 N GLY A 78 5.288 0.651 -0.956 1.00 0.00 N ATOM 1091 CA GLY A 78 4.757 0.880 -2.287 1.00 0.00 C ATOM 1092 C GLY A 78 3.271 0.592 -2.381 1.00 0.00 C ATOM 1093 O GLY A 78 2.724 -0.155 -1.571 1.00 0.00 O ATOM 0 H GLY A 78 5.099 -0.275 -0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.941 1.915 -2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.291 0.252 -3.000 1.00 0.00 H new ATOM 1097 N TYR A 79 2.619 1.189 -3.373 1.00 0.00 N ATOM 1098 CA TYR A 79 1.187 0.995 -3.575 1.00 0.00 C ATOM 1099 C TYR A 79 0.918 0.291 -4.900 1.00 0.00 C ATOM 1100 O TYR A 79 1.305 0.779 -5.963 1.00 0.00 O ATOM 1101 CB TYR A 79 0.460 2.341 -3.541 1.00 0.00 C ATOM 1102 CG TYR A 79 0.761 3.160 -2.305 1.00 0.00 C ATOM 1103 CD1 TYR A 79 2.011 3.737 -2.119 1.00 0.00 C ATOM 1104 CD2 TYR A 79 -0.205 3.355 -1.327 1.00 0.00 C ATOM 1105 CE1 TYR A 79 2.289 4.485 -0.990 1.00 0.00 C ATOM 1106 CE2 TYR A 79 0.066 4.102 -0.196 1.00 0.00 C ATOM 1107 CZ TYR A 79 1.314 4.665 -0.034 1.00 0.00 C ATOM 1108 OH TYR A 79 1.588 5.410 1.091 1.00 0.00 O ATOM 0 H TYR A 79 3.059 1.812 -4.050 1.00 0.00 H new ATOM 0 HA TYR A 79 0.811 0.367 -2.767 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.737 2.916 -4.424 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.614 2.166 -3.598 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.777 3.599 -2.868 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.184 2.916 -1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.266 4.926 -0.858 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.696 4.244 0.557 1.00 0.00 H new ATOM 0 HH TYR A 79 0.794 5.441 1.664 1.00 0.00 H new ATOM 1118 N PHE A 80 0.259 -0.862 -4.833 1.00 0.00 N ATOM 1119 CA PHE A 80 -0.051 -1.632 -6.030 1.00 0.00 C ATOM 1120 C PHE A 80 -1.207 -2.598 -5.781 1.00 0.00 C ATOM 1121 O PHE A 80 -1.570 -2.863 -4.634 1.00 0.00 O ATOM 1122 CB PHE A 80 1.186 -2.407 -6.487 1.00 0.00 C ATOM 1123 CG PHE A 80 1.891 -3.117 -5.366 1.00 0.00 C ATOM 1124 CD1 PHE A 80 1.268 -4.149 -4.682 1.00 0.00 C ATOM 1125 CD2 PHE A 80 3.176 -2.753 -4.996 1.00 0.00 C ATOM 1126 CE1 PHE A 80 1.912 -4.804 -3.651 1.00 0.00 C ATOM 1127 CE2 PHE A 80 3.825 -3.405 -3.964 1.00 0.00 C ATOM 1128 CZ PHE A 80 3.193 -4.432 -3.291 1.00 0.00 C ATOM 0 H PHE A 80 -0.070 -1.282 -3.963 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.353 -0.936 -6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.891 -3.137 -7.241 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.882 -1.718 -6.966 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.267 -4.444 -4.959 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.676 -1.951 -5.519 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.415 -5.606 -3.126 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.826 -3.111 -3.684 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.699 -4.943 -2.485 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.803 -3.140 -6.859 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.922 -4.082 -6.756 1.00 0.00 C ATOM 1140 C PRO A 81 -2.636 -5.215 -5.776 1.00 0.00 C ATOM 1141 O PRO A 81 -1.627 -5.910 -5.892 1.00 0.00 O ATOM 1142 CB PRO A 81 -3.058 -4.626 -8.178 1.00 0.00 C ATOM 1143 CG PRO A 81 -2.528 -3.541 -9.048 1.00 0.00 C ATOM 1144 CD PRO A 81 -1.432 -2.875 -8.261 1.00 0.00 C ATOM 0 HA PRO A 81 -3.826 -3.603 -6.380 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.491 -5.548 -8.305 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.097 -4.854 -8.417 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.145 -3.945 -9.985 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.312 -2.829 -9.304 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.454 -3.292 -8.503 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.383 -1.806 -8.468 1.00 0.00 H new ATOM 1152 N SER A 82 -3.530 -5.394 -4.811 1.00 0.00 N ATOM 1153 CA SER A 82 -3.374 -6.441 -3.807 1.00 0.00 C ATOM 1154 C SER A 82 -3.441 -7.826 -4.446 1.00 0.00 C ATOM 1155 O SER A 82 -2.824 -8.774 -3.960 1.00 0.00 O ATOM 1156 CB SER A 82 -4.453 -6.311 -2.731 1.00 0.00 C ATOM 1157 OG SER A 82 -3.980 -6.769 -1.477 1.00 0.00 O ATOM 0 H SER A 82 -4.371 -4.828 -4.702 1.00 0.00 H new ATOM 0 HA SER A 82 -2.394 -6.321 -3.346 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.764 -5.270 -2.648 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.333 -6.884 -3.023 1.00 0.00 H new ATOM 0 HG SER A 82 -4.576 -6.452 -0.767 1.00 0.00 H new ATOM 1163 N SER A 83 -4.197 -7.936 -5.535 1.00 0.00 N ATOM 1164 CA SER A 83 -4.351 -9.204 -6.240 1.00 0.00 C ATOM 1165 C SER A 83 -2.999 -9.860 -6.509 1.00 0.00 C ATOM 1166 O SER A 83 -2.894 -11.084 -6.574 1.00 0.00 O ATOM 1167 CB SER A 83 -5.094 -8.986 -7.560 1.00 0.00 C ATOM 1168 OG SER A 83 -6.064 -7.960 -7.436 1.00 0.00 O ATOM 0 H SER A 83 -4.714 -7.160 -5.949 1.00 0.00 H new ATOM 0 HA SER A 83 -4.931 -9.871 -5.603 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.382 -8.725 -8.343 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.578 -9.913 -7.866 1.00 0.00 H new ATOM 0 HG SER A 83 -5.661 -7.099 -7.673 1.00 0.00 H new ATOM 1174 N ILE A 84 -1.968 -9.037 -6.668 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.628 -9.528 -6.931 1.00 0.00 C ATOM 1176 C ILE A 84 -0.102 -10.364 -5.768 1.00 0.00 C ATOM 1177 O ILE A 84 0.740 -11.242 -5.955 1.00 0.00 O ATOM 1178 CB ILE A 84 0.340 -8.362 -7.195 1.00 0.00 C ATOM 1179 CG1 ILE A 84 -0.255 -7.389 -8.217 1.00 0.00 C ATOM 1180 CG2 ILE A 84 1.672 -8.892 -7.681 1.00 0.00 C ATOM 1181 CD1 ILE A 84 -0.643 -8.045 -9.525 1.00 0.00 C ATOM 0 H ILE A 84 -2.040 -8.021 -6.618 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.686 -10.158 -7.818 1.00 0.00 H new ATOM 0 HB ILE A 84 0.498 -7.822 -6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.135 -6.914 -7.784 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.468 -6.599 -8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.350 -8.059 -7.865 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.101 -9.548 -6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.526 -9.451 -8.605 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.057 -7.295 -10.199 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.238 -8.496 -9.981 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.390 -8.816 -9.338 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.606 -10.090 -4.569 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.188 -10.819 -3.376 1.00 0.00 C ATOM 1195 C VAL A 85 -1.391 -11.432 -2.662 1.00 0.00 C ATOM 1196 O VAL A 85 -2.479 -10.857 -2.656 1.00 0.00 O ATOM 1197 CB VAL A 85 0.564 -9.903 -2.391 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.841 -9.370 -3.022 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -0.333 -8.762 -1.933 1.00 0.00 C ATOM 0 H VAL A 85 -1.305 -9.368 -4.397 1.00 0.00 H new ATOM 0 HA VAL A 85 0.483 -11.612 -3.707 1.00 0.00 H new ATOM 0 HB VAL A 85 0.840 -10.491 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.357 -8.726 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.489 -10.204 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.594 -8.798 -3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.214 -8.125 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.643 -8.174 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.214 -9.169 -1.436 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.187 -12.597 -2.058 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.254 -13.280 -1.338 1.00 0.00 C ATOM 1211 C ARG A 86 -2.135 -13.034 0.162 1.00 0.00 C ATOM 1212 O ARG A 86 -1.142 -13.411 0.786 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.216 -14.782 -1.626 1.00 0.00 C ATOM 1214 CG ARG A 86 -3.478 -15.514 -1.197 1.00 0.00 C ATOM 1215 CD ARG A 86 -3.355 -17.014 -1.416 1.00 0.00 C ATOM 1216 NE ARG A 86 -4.653 -17.639 -1.655 1.00 0.00 N ATOM 1217 CZ ARG A 86 -4.886 -18.943 -1.514 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -3.913 -19.762 -1.135 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -6.095 -19.429 -1.754 1.00 0.00 N ATOM 0 H ARG A 86 -0.293 -13.088 -2.053 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.207 -12.879 -1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.062 -14.935 -2.694 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.359 -15.221 -1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.675 -15.314 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.330 -15.132 -1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.699 -17.204 -2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.887 -17.471 -0.544 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.427 -17.042 -1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.980 -19.394 -0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.098 -20.759 -1.029 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.847 -18.805 -2.047 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.274 -20.427 -1.646 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.150 -12.396 0.736 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.155 -12.094 2.162 1.00 0.00 C ATOM 1235 C GLU A 87 -3.605 -13.301 2.977 1.00 0.00 C ATOM 1236 O GLU A 87 -4.681 -13.853 2.746 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.066 -10.900 2.450 1.00 0.00 C ATOM 1238 CG GLU A 87 -5.520 -11.139 2.076 1.00 0.00 C ATOM 1239 CD GLU A 87 -6.395 -9.928 2.335 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -6.141 -9.213 3.328 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -7.332 -9.694 1.544 1.00 0.00 O ATOM 0 H GLU A 87 -3.980 -12.078 0.235 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.136 -11.843 2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.008 -10.657 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.697 -10.032 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.581 -11.408 1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.903 -11.987 2.644 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.774 -13.702 3.934 1.00 0.00 N ATOM 1249 CA ASP A 88 -3.085 -14.840 4.789 1.00 0.00 C ATOM 1250 C ASP A 88 -3.351 -14.385 6.214 1.00 0.00 C ATOM 1251 O ASP A 88 -4.336 -14.780 6.836 1.00 0.00 O ATOM 1252 CB ASP A 88 -1.938 -15.854 4.767 1.00 0.00 C ATOM 1253 CG ASP A 88 -2.433 -17.286 4.809 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -3.538 -17.517 5.342 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -1.715 -18.177 4.310 1.00 0.00 O ATOM 0 H ASP A 88 -1.880 -13.255 4.136 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.986 -15.318 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.342 -15.705 3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.281 -15.674 5.618 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.460 -13.552 6.722 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.570 -13.029 8.065 1.00 0.00 C ATOM 1262 C GLN A 89 -3.082 -11.596 8.035 1.00 0.00 C ATOM 1263 O GLN A 89 -2.867 -10.875 7.060 1.00 0.00 O ATOM 1264 CB GLN A 89 -1.201 -13.084 8.719 1.00 0.00 C ATOM 1265 CG GLN A 89 -1.233 -12.954 10.234 1.00 0.00 C ATOM 1266 CD GLN A 89 -0.250 -11.923 10.753 1.00 0.00 C ATOM 1267 OE1 GLN A 89 0.861 -12.259 11.160 1.00 0.00 O ATOM 1268 NE2 GLN A 89 -0.658 -10.659 10.743 1.00 0.00 N ATOM 0 H GLN A 89 -1.641 -13.221 6.212 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.278 -13.629 8.637 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.722 -14.027 8.456 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.582 -12.286 8.309 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.240 -12.682 10.550 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.009 -13.922 10.683 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.589 -10.426 10.396 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.041 -9.921 11.082 1.00 0.00 H new ATOM 1277 N THR A 90 -3.761 -11.182 9.097 1.00 0.00 N ATOM 1278 CA THR A 90 -4.295 -9.830 9.167 1.00 0.00 C ATOM 1279 C THR A 90 -4.079 -9.207 10.537 1.00 0.00 C ATOM 1280 O THR A 90 -4.045 -9.900 11.554 1.00 0.00 O ATOM 1281 CB THR A 90 -5.779 -9.809 8.826 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.445 -10.926 9.388 1.00 0.00 O ATOM 1283 CG2 THR A 90 -6.056 -9.802 7.341 1.00 0.00 C ATOM 0 H THR A 90 -3.954 -11.759 9.916 1.00 0.00 H new ATOM 0 HA THR A 90 -3.750 -9.239 8.431 1.00 0.00 H new ATOM 0 HB THR A 90 -6.154 -8.877 9.249 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.397 -10.890 9.157 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.133 -9.787 7.172 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.606 -8.917 6.891 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.630 -10.697 6.887 1.00 0.00 H new ATOM 1291 N LEU A 91 -3.934 -7.889 10.544 1.00 0.00 N ATOM 1292 CA LEU A 91 -3.723 -7.147 11.776 1.00 0.00 C ATOM 1293 C LEU A 91 -4.289 -5.735 11.655 1.00 0.00 C ATOM 1294 O LEU A 91 -3.685 -4.772 12.126 1.00 0.00 O ATOM 1295 CB LEU A 91 -2.230 -7.088 12.105 1.00 0.00 C ATOM 1296 CG LEU A 91 -1.895 -7.120 13.597 1.00 0.00 C ATOM 1297 CD1 LEU A 91 -0.499 -7.679 13.820 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -2.016 -5.727 14.200 1.00 0.00 C ATOM 0 H LEU A 91 -3.959 -7.310 9.704 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.244 -7.661 12.583 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.733 -7.927 11.618 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.814 -6.177 11.674 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.609 -7.775 14.096 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.279 -7.694 14.888 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.446 -8.693 13.425 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.230 -7.051 13.308 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.774 -5.768 15.262 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.325 -5.051 13.696 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.036 -5.363 14.074 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.450 -5.620 11.013 1.00 0.00 N ATOM 1311 CA LYS A 92 -6.095 -4.323 10.822 1.00 0.00 C ATOM 1312 C LYS A 92 -7.076 -4.015 11.956 1.00 0.00 C ATOM 1313 O LYS A 92 -8.173 -4.573 12.001 1.00 0.00 O ATOM 1314 CB LYS A 92 -6.837 -4.293 9.480 1.00 0.00 C ATOM 1315 CG LYS A 92 -7.703 -3.057 9.284 1.00 0.00 C ATOM 1316 CD LYS A 92 -9.185 -3.400 9.328 1.00 0.00 C ATOM 1317 CE LYS A 92 -9.579 -4.324 8.187 1.00 0.00 C ATOM 1318 NZ LYS A 92 -10.533 -3.671 7.250 1.00 0.00 N ATOM 0 H LYS A 92 -5.962 -6.408 10.617 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.315 -3.562 10.826 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.108 -4.346 8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.465 -5.181 9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.475 -2.325 10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.464 -2.593 8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.421 -3.875 10.280 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.773 -2.484 9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -8.686 -4.629 7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.030 -5.230 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.777 -4.333 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.396 -3.402 7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.093 -2.821 6.844 1.00 0.00 H new ATOM 1332 N PRO A 93 -6.706 -3.110 12.881 1.00 0.00 N ATOM 1333 CA PRO A 93 -7.571 -2.727 13.995 1.00 0.00 C ATOM 1334 C PRO A 93 -8.610 -1.692 13.574 1.00 0.00 C ATOM 1335 O PRO A 93 -9.768 -1.749 13.990 1.00 0.00 O ATOM 1336 CB PRO A 93 -6.588 -2.119 14.991 1.00 0.00 C ATOM 1337 CG PRO A 93 -5.535 -1.505 14.137 1.00 0.00 C ATOM 1338 CD PRO A 93 -5.422 -2.378 12.910 1.00 0.00 C ATOM 0 HA PRO A 93 -8.143 -3.566 14.392 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.072 -1.375 15.624 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.171 -2.878 15.653 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.802 -0.484 13.864 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.584 -1.455 14.668 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.280 -1.784 12.007 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.574 -3.059 12.980 1.00 0.00 H new ATOM 1346 N GLY A 94 -8.183 -0.748 12.737 1.00 0.00 N ATOM 1347 CA GLY A 94 -9.078 0.290 12.258 1.00 0.00 C ATOM 1348 C GLY A 94 -9.158 0.322 10.744 1.00 0.00 C ATOM 1349 O GLY A 94 -8.345 -0.302 10.062 1.00 0.00 O ATOM 0 H GLY A 94 -7.229 -0.685 12.382 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.074 0.127 12.670 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.737 1.259 12.623 1.00 0.00 H new ATOM 1353 N LYS A 95 -10.133 1.051 10.214 1.00 0.00 N ATOM 1354 CA LYS A 95 -10.306 1.164 8.781 1.00 0.00 C ATOM 1355 C LYS A 95 -10.937 2.500 8.411 1.00 0.00 C ATOM 1356 O LYS A 95 -11.906 2.555 7.653 1.00 0.00 O ATOM 1357 CB LYS A 95 -11.156 0.008 8.247 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.458 -0.191 9.007 1.00 0.00 C ATOM 1359 CD LYS A 95 -13.616 -0.488 8.066 1.00 0.00 C ATOM 1360 CE LYS A 95 -14.429 -1.683 8.538 1.00 0.00 C ATOM 1361 NZ LYS A 95 -15.662 -1.266 9.261 1.00 0.00 N ATOM 0 H LYS A 95 -10.816 1.573 10.763 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.320 1.113 8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.382 0.189 7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.573 -0.912 8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.345 -1.011 9.716 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.681 0.704 9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.262 0.387 7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.231 -0.682 7.065 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.702 -2.298 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.816 -2.303 9.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.188 -2.110 9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.401 -0.701 10.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -16.259 -0.696 8.629 1.00 0.00 H new ATOM 1375 N VAL A 96 -10.383 3.577 8.951 1.00 0.00 N ATOM 1376 CA VAL A 96 -10.890 4.913 8.678 1.00 0.00 C ATOM 1377 C VAL A 96 -10.136 5.545 7.518 1.00 0.00 C ATOM 1378 O VAL A 96 -8.922 5.389 7.393 1.00 0.00 O ATOM 1379 CB VAL A 96 -10.778 5.831 9.910 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -11.594 7.098 9.707 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -11.222 5.098 11.167 1.00 0.00 C ATOM 0 H VAL A 96 -9.581 3.551 9.581 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.944 4.806 8.420 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.733 6.115 10.034 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.503 7.734 10.587 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.224 7.633 8.833 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.641 6.836 9.555 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.135 5.763 12.026 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -12.259 4.781 11.056 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.590 4.223 11.321 1.00 0.00 H new ATOM 1391 N ASP A 97 -10.865 6.255 6.671 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.274 6.905 5.516 1.00 0.00 C ATOM 1393 C ASP A 97 -9.461 8.123 5.930 1.00 0.00 C ATOM 1394 O ASP A 97 -9.723 8.743 6.961 1.00 0.00 O ATOM 1395 CB ASP A 97 -11.361 7.314 4.520 1.00 0.00 C ATOM 1396 CG ASP A 97 -10.788 7.771 3.193 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -10.107 6.961 2.530 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -11.022 8.938 2.816 1.00 0.00 O ATOM 0 H ASP A 97 -11.871 6.395 6.764 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.603 6.192 5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.031 6.471 4.352 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.960 8.117 4.950 1.00 0.00 H new ATOM 1403 N VAL A 98 -8.473 8.450 5.115 1.00 0.00 N ATOM 1404 CA VAL A 98 -7.600 9.586 5.374 1.00 0.00 C ATOM 1405 C VAL A 98 -7.186 10.263 4.072 1.00 0.00 C ATOM 1406 O VAL A 98 -6.372 9.732 3.317 1.00 0.00 O ATOM 1407 CB VAL A 98 -6.335 9.156 6.140 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -5.572 10.372 6.644 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -6.698 8.230 7.290 1.00 0.00 C ATOM 0 H VAL A 98 -8.253 7.940 4.260 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.164 10.290 5.985 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.686 8.611 5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.682 10.046 7.182 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.277 10.993 5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.209 10.950 7.313 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.792 7.936 7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.368 8.748 7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.194 7.342 6.899 1.00 0.00 H new ATOM 1419 N LYS A 99 -7.755 11.435 3.811 1.00 0.00 N ATOM 1420 CA LYS A 99 -7.446 12.180 2.595 1.00 0.00 C ATOM 1421 C LYS A 99 -6.075 12.838 2.693 1.00 0.00 C ATOM 1422 O LYS A 99 -5.930 13.913 3.277 1.00 0.00 O ATOM 1423 CB LYS A 99 -8.517 13.242 2.337 1.00 0.00 C ATOM 1424 CG LYS A 99 -8.803 14.124 3.543 1.00 0.00 C ATOM 1425 CD LYS A 99 -10.053 13.671 4.282 1.00 0.00 C ATOM 1426 CE LYS A 99 -10.893 14.856 4.730 1.00 0.00 C ATOM 1427 NZ LYS A 99 -12.181 14.425 5.341 1.00 0.00 N ATOM 0 H LYS A 99 -8.432 11.889 4.424 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.432 11.477 1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.200 13.871 1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.440 12.749 2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.950 14.102 4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.926 15.157 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.647 13.026 3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.769 13.076 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.330 15.448 5.451 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.095 15.502 3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.724 15.262 5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.731 13.881 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.989 13.830 6.172 1.00 0.00 H new ATOM 1441 N THR A 100 -5.069 12.188 2.115 1.00 0.00 N ATOM 1442 CA THR A 100 -3.708 12.709 2.136 1.00 0.00 C ATOM 1443 C THR A 100 -3.528 13.805 1.089 1.00 0.00 C ATOM 1444 O THR A 100 -4.162 13.779 0.034 1.00 0.00 O ATOM 1445 CB THR A 100 -2.710 11.576 1.892 1.00 0.00 C ATOM 1446 OG1 THR A 100 -1.389 11.998 2.182 1.00 0.00 O ATOM 1447 CG2 THR A 100 -2.724 11.054 0.470 1.00 0.00 C ATOM 0 H THR A 100 -5.172 11.299 1.626 1.00 0.00 H new ATOM 0 HA THR A 100 -3.521 13.143 3.118 1.00 0.00 H new ATOM 0 HB THR A 100 -3.024 10.772 2.558 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.767 11.258 2.021 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.992 10.253 0.369 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.716 10.671 0.233 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.474 11.862 -0.217 1.00 0.00 H new