USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 635 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 26 SER OG : rot 180:sc= -0.0752 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.622 K(o=-0.62,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.28) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 25:sc= 0.638 USER MOD Single : A 51 SER OG : rot -140:sc= 0.795 USER MOD Single : A 52 SER OG : rot -170:sc= -1.69 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.654 X(o=-0.65,f=-0.39) USER MOD Single : A 91 TYR OH : rot 26:sc= 1.7 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.589 X(o=-0.59,f=-0.16) USER MOD Single : A 98 LYS NZ :NH3+ 157:sc= -1.85 (180deg=-3.59!) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 23 -6.249 10.092 -6.628 1.00 0.00 N ATOM 28 CA LEU A 23 -6.300 8.668 -6.308 1.00 0.00 C ATOM 29 C LEU A 23 -6.155 8.447 -4.807 1.00 0.00 C ATOM 30 O LEU A 23 -5.200 8.911 -4.195 1.00 0.00 O ATOM 31 CB LEU A 23 -5.212 7.907 -7.076 1.00 0.00 C ATOM 32 CG LEU A 23 -5.388 7.819 -8.604 1.00 0.00 C ATOM 33 CD1 LEU A 23 -5.674 6.387 -9.023 1.00 0.00 C ATOM 34 CD2 LEU A 23 -6.491 8.743 -9.112 1.00 0.00 C ATOM 0 HA LEU A 23 -7.272 8.281 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.253 8.381 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.159 6.893 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.451 8.148 -9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.796 6.342 -10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.843 5.748 -8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.589 6.042 -8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.577 8.646 -10.194 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.438 8.470 -8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.247 9.775 -8.859 1.00 0.00 H new ATOM 46 N ARG A 24 -7.128 7.762 -4.217 1.00 0.00 N ATOM 47 CA ARG A 24 -7.123 7.500 -2.782 1.00 0.00 C ATOM 48 C ARG A 24 -6.467 6.156 -2.456 1.00 0.00 C ATOM 49 O ARG A 24 -6.866 5.115 -2.979 1.00 0.00 O ATOM 50 CB ARG A 24 -8.560 7.541 -2.247 1.00 0.00 C ATOM 51 CG ARG A 24 -8.749 6.862 -0.898 1.00 0.00 C ATOM 52 CD ARG A 24 -9.711 7.638 -0.015 1.00 0.00 C ATOM 53 NE ARG A 24 -10.561 6.754 0.779 1.00 0.00 N ATOM 54 CZ ARG A 24 -11.597 6.082 0.284 1.00 0.00 C ATOM 55 NH1 ARG A 24 -11.911 6.186 -1.002 1.00 0.00 N ATOM 56 NH2 ARG A 24 -12.320 5.302 1.075 1.00 0.00 N ATOM 0 H ARG A 24 -7.933 7.377 -4.712 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.532 8.276 -2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.874 8.581 -2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.219 7.067 -2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.126 5.851 -1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.785 6.772 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.146 8.291 0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.336 8.280 -0.636 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.348 6.646 1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.357 6.783 -1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.706 5.669 -1.376 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.082 5.217 2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.114 4.787 0.695 1.00 0.00 H new ATOM 70 N LEU A 25 -5.466 6.191 -1.576 1.00 0.00 N ATOM 71 CA LEU A 25 -4.759 4.988 -1.161 1.00 0.00 C ATOM 72 C LEU A 25 -5.446 4.369 0.048 1.00 0.00 C ATOM 73 O LEU A 25 -5.953 5.081 0.915 1.00 0.00 O ATOM 74 CB LEU A 25 -3.309 5.320 -0.810 1.00 0.00 C ATOM 75 CG LEU A 25 -2.328 4.159 -0.930 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.894 4.641 -0.767 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.642 3.080 0.091 1.00 0.00 C ATOM 0 H LEU A 25 -5.128 7.047 -1.137 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.772 4.276 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.971 6.128 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.277 5.697 0.212 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.435 3.732 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.213 3.794 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.666 5.373 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.774 5.101 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.929 2.262 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.571 3.498 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.652 2.705 -0.075 1.00 0.00 H new ATOM 89 N SER A 26 -5.459 3.046 0.107 1.00 0.00 N ATOM 90 CA SER A 26 -6.087 2.347 1.224 1.00 0.00 C ATOM 91 C SER A 26 -5.331 1.068 1.548 1.00 0.00 C ATOM 92 O SER A 26 -5.380 0.101 0.792 1.00 0.00 O ATOM 93 CB SER A 26 -7.546 2.023 0.895 1.00 0.00 C ATOM 94 OG SER A 26 -8.148 3.074 0.159 1.00 0.00 O ATOM 0 H SER A 26 -5.046 2.436 -0.599 1.00 0.00 H new ATOM 0 HA SER A 26 -6.057 3.000 2.096 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.596 1.098 0.321 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.102 1.856 1.818 1.00 0.00 H new ATOM 0 HG SER A 26 -9.079 2.842 -0.040 1.00 0.00 H new ATOM 100 N VAL A 27 -4.629 1.065 2.675 1.00 0.00 N ATOM 101 CA VAL A 27 -3.861 -0.103 3.077 1.00 0.00 C ATOM 102 C VAL A 27 -4.611 -0.953 4.092 1.00 0.00 C ATOM 103 O VAL A 27 -5.010 -0.474 5.154 1.00 0.00 O ATOM 104 CB VAL A 27 -2.482 0.287 3.645 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.590 0.808 5.069 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.535 -0.894 3.580 1.00 0.00 C ATOM 0 H VAL A 27 -4.577 1.853 3.321 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.711 -0.695 2.174 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.083 1.094 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.598 1.073 5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.231 1.690 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.019 0.036 5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.565 -0.605 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.941 -1.719 4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.417 -1.209 2.543 1.00 0.00 H new ATOM 116 N PHE A 28 -4.798 -2.220 3.751 1.00 0.00 N ATOM 117 CA PHE A 28 -5.493 -3.149 4.615 1.00 0.00 C ATOM 118 C PHE A 28 -4.534 -4.142 5.260 1.00 0.00 C ATOM 119 O PHE A 28 -3.551 -4.566 4.652 1.00 0.00 O ATOM 120 CB PHE A 28 -6.562 -3.901 3.832 1.00 0.00 C ATOM 121 CG PHE A 28 -7.815 -4.071 4.621 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.457 -2.963 5.139 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.336 -5.327 4.868 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.602 -3.099 5.888 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.482 -5.474 5.621 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.118 -4.359 6.134 1.00 0.00 C ATOM 0 H PHE A 28 -4.473 -2.626 2.873 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.964 -2.569 5.409 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.784 -3.362 2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.179 -4.880 3.544 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.055 -1.978 4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.842 -6.200 4.468 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.097 -2.224 6.283 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.882 -6.459 5.810 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.015 -4.471 6.725 1.00 0.00 H new ATOM 136 N ARG A 29 -4.845 -4.512 6.494 1.00 0.00 N ATOM 137 CA ARG A 29 -4.042 -5.463 7.246 1.00 0.00 C ATOM 138 C ARG A 29 -4.929 -6.230 8.218 1.00 0.00 C ATOM 139 O ARG A 29 -5.555 -5.640 9.099 1.00 0.00 O ATOM 140 CB ARG A 29 -2.923 -4.741 8.003 1.00 0.00 C ATOM 141 CG ARG A 29 -1.530 -5.103 7.516 1.00 0.00 C ATOM 142 CD ARG A 29 -1.252 -6.590 7.671 1.00 0.00 C ATOM 143 NE ARG A 29 -0.467 -6.885 8.869 1.00 0.00 N ATOM 144 CZ ARG A 29 -0.997 -7.141 10.064 1.00 0.00 C ATOM 145 NH1 ARG A 29 -2.313 -7.120 10.236 1.00 0.00 N ATOM 146 NH2 ARG A 29 -0.207 -7.417 11.092 1.00 0.00 N ATOM 0 H ARG A 29 -5.659 -4.162 7.000 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.585 -6.166 6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.065 -3.665 7.906 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.001 -4.978 9.064 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.425 -4.820 6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.789 -4.533 8.076 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.197 -7.131 7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.719 -6.951 6.792 1.00 0.00 H new ATOM 0 HE ARG A 29 0.549 -6.895 8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.927 -6.907 9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.711 -7.317 11.154 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.805 -7.433 10.967 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.611 -7.613 12.008 1.00 0.00 H new ATOM 160 N SER A 30 -4.985 -7.545 8.054 1.00 0.00 N ATOM 161 CA SER A 30 -5.807 -8.381 8.923 1.00 0.00 C ATOM 162 C SER A 30 -5.005 -8.837 10.136 1.00 0.00 C ATOM 163 O SER A 30 -5.251 -8.401 11.261 1.00 0.00 O ATOM 164 CB SER A 30 -6.329 -9.596 8.152 1.00 0.00 C ATOM 165 OG SER A 30 -7.688 -9.851 8.459 1.00 0.00 O ATOM 0 H SER A 30 -4.475 -8.055 7.332 1.00 0.00 H new ATOM 0 HA SER A 30 -6.656 -7.791 9.267 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.221 -9.424 7.081 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.727 -10.471 8.397 1.00 0.00 H new ATOM 0 HG SER A 30 -7.997 -10.631 7.952 1.00 0.00 H new ATOM 171 N LEU A 31 -4.037 -9.708 9.890 1.00 0.00 N ATOM 172 CA LEU A 31 -3.173 -10.227 10.942 1.00 0.00 C ATOM 173 C LEU A 31 -1.789 -10.497 10.373 1.00 0.00 C ATOM 174 O LEU A 31 -0.795 -9.921 10.814 1.00 0.00 O ATOM 175 CB LEU A 31 -3.761 -11.508 11.537 1.00 0.00 C ATOM 176 CG LEU A 31 -5.016 -11.310 12.390 1.00 0.00 C ATOM 177 CD1 LEU A 31 -5.685 -12.645 12.673 1.00 0.00 C ATOM 178 CD2 LEU A 31 -4.669 -10.599 13.689 1.00 0.00 C ATOM 0 H LEU A 31 -3.828 -10.074 8.961 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.097 -9.486 11.738 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.998 -12.193 10.723 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.998 -11.990 12.148 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.717 -10.687 11.834 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.575 -12.484 13.281 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.968 -13.117 11.732 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.992 -13.293 13.210 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.573 -10.466 14.284 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.950 -11.196 14.250 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.235 -9.624 13.466 1.00 0.00 H new ATOM 190 N LYS A 32 -1.744 -11.364 9.369 1.00 0.00 N ATOM 191 CA LYS A 32 -0.497 -11.705 8.699 1.00 0.00 C ATOM 192 C LYS A 32 -0.571 -11.337 7.217 1.00 0.00 C ATOM 193 O LYS A 32 0.350 -11.622 6.451 1.00 0.00 O ATOM 194 CB LYS A 32 -0.200 -13.198 8.857 1.00 0.00 C ATOM 195 CG LYS A 32 0.754 -13.510 9.999 1.00 0.00 C ATOM 196 CD LYS A 32 1.692 -14.653 9.646 1.00 0.00 C ATOM 197 CE LYS A 32 2.835 -14.764 10.642 1.00 0.00 C ATOM 198 NZ LYS A 32 2.598 -15.843 11.641 1.00 0.00 N ATOM 0 H LYS A 32 -2.563 -11.846 8.999 1.00 0.00 H new ATOM 0 HA LYS A 32 0.310 -11.136 9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.137 -13.731 9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.224 -13.576 7.927 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.337 -12.621 10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.183 -13.769 10.891 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.134 -15.589 9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.094 -14.499 8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.764 -14.962 10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.960 -13.812 11.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.400 -15.886 12.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.725 -15.642 12.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.504 -16.755 11.151 1.00 0.00 H new ATOM 212 N HIS A 33 -1.678 -10.707 6.817 1.00 0.00 N ATOM 213 CA HIS A 33 -1.878 -10.308 5.429 1.00 0.00 C ATOM 214 C HIS A 33 -1.788 -8.796 5.268 1.00 0.00 C ATOM 215 O HIS A 33 -2.612 -8.052 5.799 1.00 0.00 O ATOM 216 CB HIS A 33 -3.240 -10.788 4.932 1.00 0.00 C ATOM 217 CG HIS A 33 -3.346 -12.276 4.807 1.00 0.00 C ATOM 218 ND1 HIS A 33 -4.332 -12.903 4.073 1.00 0.00 N ATOM 219 CD2 HIS A 33 -2.583 -13.263 5.329 1.00 0.00 C ATOM 220 CE1 HIS A 33 -4.169 -14.212 4.150 1.00 0.00 C ATOM 221 NE2 HIS A 33 -3.115 -14.456 4.906 1.00 0.00 N ATOM 0 H HIS A 33 -2.449 -10.463 7.439 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.087 -10.768 4.837 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.012 -10.434 5.616 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.442 -10.336 3.961 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.716 -13.136 5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.792 -14.956 3.675 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.754 -15.381 5.138 1.00 0.00 H new ATOM 230 N ILE A 34 -0.792 -8.356 4.515 1.00 0.00 N ATOM 231 CA ILE A 34 -0.587 -6.939 4.254 1.00 0.00 C ATOM 232 C ILE A 34 -1.047 -6.603 2.839 1.00 0.00 C ATOM 233 O ILE A 34 -0.668 -7.279 1.884 1.00 0.00 O ATOM 234 CB ILE A 34 0.899 -6.561 4.411 1.00 0.00 C ATOM 235 CG1 ILE A 34 1.118 -5.087 4.071 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.762 -7.452 3.528 1.00 0.00 C ATOM 237 CD1 ILE A 34 0.457 -4.139 5.046 1.00 0.00 C ATOM 0 H ILE A 34 -0.107 -8.966 4.070 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.171 -6.370 4.978 1.00 0.00 H new ATOM 0 HB ILE A 34 1.191 -6.715 5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.188 -4.883 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.734 -4.892 3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.810 -7.176 3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.626 -8.494 3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.469 -7.325 2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.654 -3.110 4.744 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.619 -4.316 5.053 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.859 -4.306 6.045 1.00 0.00 H new ATOM 249 N TYR A 35 -1.880 -5.576 2.704 1.00 0.00 N ATOM 250 CA TYR A 35 -2.394 -5.194 1.397 1.00 0.00 C ATOM 251 C TYR A 35 -2.522 -3.681 1.256 1.00 0.00 C ATOM 252 O TYR A 35 -2.762 -2.969 2.228 1.00 0.00 O ATOM 253 CB TYR A 35 -3.765 -5.841 1.167 1.00 0.00 C ATOM 254 CG TYR A 35 -3.698 -7.308 0.803 1.00 0.00 C ATOM 255 CD1 TYR A 35 -3.259 -8.254 1.721 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.071 -7.746 -0.461 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.192 -9.593 1.390 1.00 0.00 C ATOM 258 CE2 TYR A 35 -4.007 -9.085 -0.800 1.00 0.00 C ATOM 259 CZ TYR A 35 -3.565 -10.003 0.128 1.00 0.00 C ATOM 260 OH TYR A 35 -3.499 -11.337 -0.205 1.00 0.00 O ATOM 0 H TYR A 35 -2.210 -4.999 3.477 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.682 -5.545 0.650 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.365 -5.728 2.070 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.281 -5.303 0.372 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.965 -7.937 2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.417 -7.029 -1.191 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.849 -10.315 2.116 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.302 -9.410 -1.787 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.798 -11.458 -1.130 1.00 0.00 H new ATOM 270 N ALA A 36 -2.395 -3.214 0.023 1.00 0.00 N ATOM 271 CA ALA A 36 -2.535 -1.797 -0.295 1.00 0.00 C ATOM 272 C ALA A 36 -3.345 -1.644 -1.570 1.00 0.00 C ATOM 273 O ALA A 36 -2.982 -2.184 -2.615 1.00 0.00 O ATOM 274 CB ALA A 36 -1.186 -1.106 -0.448 1.00 0.00 C ATOM 0 H ALA A 36 -2.193 -3.803 -0.785 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.051 -1.317 0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.341 -0.053 -0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.626 -1.190 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.624 -1.580 -1.253 1.00 0.00 H new ATOM 280 N GLN A 37 -4.442 -0.914 -1.480 1.00 0.00 N ATOM 281 CA GLN A 37 -5.306 -0.698 -2.626 1.00 0.00 C ATOM 282 C GLN A 37 -5.269 0.757 -3.054 1.00 0.00 C ATOM 283 O GLN A 37 -5.731 1.642 -2.335 1.00 0.00 O ATOM 284 CB GLN A 37 -6.744 -1.114 -2.305 1.00 0.00 C ATOM 285 CG GLN A 37 -7.364 -2.018 -3.357 1.00 0.00 C ATOM 286 CD GLN A 37 -7.294 -3.485 -2.979 1.00 0.00 C ATOM 287 OE1 GLN A 37 -8.261 -4.228 -3.147 1.00 0.00 O ATOM 288 NE2 GLN A 37 -6.146 -3.909 -2.463 1.00 0.00 N ATOM 0 H GLN A 37 -4.756 -0.460 -0.623 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.940 -1.315 -3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.759 -1.626 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.357 -0.219 -2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.406 -1.734 -3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.853 -1.867 -4.308 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.370 -3.258 -2.342 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.040 -4.886 -2.188 1.00 0.00 H new ATOM 297 N ILE A 38 -4.723 0.994 -4.233 1.00 0.00 N ATOM 298 CA ILE A 38 -4.632 2.338 -4.768 1.00 0.00 C ATOM 299 C ILE A 38 -5.796 2.573 -5.717 1.00 0.00 C ATOM 300 O ILE A 38 -5.800 2.097 -6.859 1.00 0.00 O ATOM 301 CB ILE A 38 -3.289 2.590 -5.484 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.179 1.682 -4.901 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.921 4.063 -5.374 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.303 2.320 -3.844 1.00 0.00 C ATOM 0 H ILE A 38 -4.335 0.271 -4.839 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.681 3.042 -3.937 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.391 2.338 -6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.647 0.795 -4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.543 1.344 -5.719 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.972 4.240 -5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.699 4.668 -5.840 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.828 4.337 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.560 1.599 -3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.799 3.189 -4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.919 2.632 -3.001 1.00 0.00 H new ATOM 316 N ILE A 39 -6.807 3.266 -5.202 1.00 0.00 N ATOM 317 CA ILE A 39 -8.031 3.536 -5.950 1.00 0.00 C ATOM 318 C ILE A 39 -8.085 4.952 -6.506 1.00 0.00 C ATOM 319 O ILE A 39 -7.371 5.844 -6.054 1.00 0.00 O ATOM 320 CB ILE A 39 -9.265 3.345 -5.042 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.119 2.083 -4.191 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.542 3.297 -5.863 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.672 2.370 -2.775 1.00 0.00 C ATOM 0 H ILE A 39 -6.802 3.655 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.035 2.832 -6.782 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.328 4.203 -4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.074 1.557 -4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.400 1.414 -4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.396 3.162 -5.200 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.655 4.230 -6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.492 2.464 -6.565 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.587 1.434 -2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.703 2.869 -2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.403 3.014 -2.286 1.00 0.00 H new ATOM 335 N ASP A 40 -8.981 5.148 -7.468 1.00 0.00 N ATOM 336 CA ASP A 40 -9.197 6.449 -8.072 1.00 0.00 C ATOM 337 C ASP A 40 -10.335 7.136 -7.331 1.00 0.00 C ATOM 338 O ASP A 40 -11.480 6.659 -7.359 1.00 0.00 O ATOM 339 CB ASP A 40 -9.548 6.315 -9.558 1.00 0.00 C ATOM 340 CG ASP A 40 -8.907 7.396 -10.404 1.00 0.00 C ATOM 341 OD1 ASP A 40 -9.168 8.588 -10.141 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.144 7.050 -11.330 1.00 0.00 O ATOM 0 H ASP A 40 -9.574 4.409 -7.847 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.283 7.038 -7.999 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.226 5.338 -9.918 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.631 6.358 -9.678 1.00 0.00 H new ATOM 347 N ASP A 41 -9.992 8.229 -6.648 1.00 0.00 N ATOM 348 CA ASP A 41 -10.943 9.002 -5.847 1.00 0.00 C ATOM 349 C ASP A 41 -11.617 10.112 -6.653 1.00 0.00 C ATOM 350 O ASP A 41 -12.089 11.102 -6.094 1.00 0.00 O ATOM 351 CB ASP A 41 -10.239 9.602 -4.629 1.00 0.00 C ATOM 352 CG ASP A 41 -11.183 9.809 -3.460 1.00 0.00 C ATOM 353 OD1 ASP A 41 -12.040 8.932 -3.226 1.00 0.00 O ATOM 354 OD2 ASP A 41 -11.065 10.850 -2.779 1.00 0.00 O ATOM 0 H ASP A 41 -9.044 8.605 -6.635 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.723 8.313 -5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.425 8.945 -4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.792 10.557 -4.905 1.00 0.00 H new ATOM 359 N GLU A 42 -11.709 9.908 -7.955 1.00 0.00 N ATOM 360 CA GLU A 42 -12.384 10.846 -8.848 1.00 0.00 C ATOM 361 C GLU A 42 -13.633 10.133 -9.305 1.00 0.00 C ATOM 362 O GLU A 42 -14.754 10.631 -9.207 1.00 0.00 O ATOM 363 CB GLU A 42 -11.493 11.214 -10.038 1.00 0.00 C ATOM 364 CG GLU A 42 -12.215 11.995 -11.124 1.00 0.00 C ATOM 365 CD GLU A 42 -11.261 12.738 -12.040 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.084 12.330 -12.128 1.00 0.00 O ATOM 367 OE2 GLU A 42 -11.691 13.728 -12.668 1.00 0.00 O ATOM 0 H GLU A 42 -11.321 9.091 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.616 11.785 -8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.649 11.803 -9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.084 10.301 -10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.822 11.310 -11.716 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.898 12.708 -10.661 1.00 0.00 H new ATOM 374 N LYS A 43 -13.391 8.901 -9.705 1.00 0.00 N ATOM 375 CA LYS A 43 -14.412 7.967 -10.086 1.00 0.00 C ATOM 376 C LYS A 43 -14.033 6.678 -9.388 1.00 0.00 C ATOM 377 O LYS A 43 -12.946 6.155 -9.622 1.00 0.00 O ATOM 378 CB LYS A 43 -14.446 7.775 -11.603 1.00 0.00 C ATOM 379 CG LYS A 43 -15.381 8.739 -12.319 1.00 0.00 C ATOM 380 CD LYS A 43 -14.643 9.582 -13.350 1.00 0.00 C ATOM 381 CE LYS A 43 -15.013 9.183 -14.770 1.00 0.00 C ATOM 382 NZ LYS A 43 -15.272 10.371 -15.630 1.00 0.00 N ATOM 0 H LYS A 43 -12.448 8.518 -9.773 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.407 8.312 -9.805 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.438 7.898 -11.999 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.753 6.753 -11.825 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.175 8.177 -12.810 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.858 9.393 -11.589 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.878 10.635 -13.195 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.568 9.471 -13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.207 8.590 -15.202 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.899 8.549 -14.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.521 10.057 -16.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.058 10.923 -15.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.418 10.963 -15.670 1.00 0.00 H new ATOM 396 N GLY A 44 -14.891 6.190 -8.503 1.00 0.00 N ATOM 397 CA GLY A 44 -14.567 4.983 -7.762 1.00 0.00 C ATOM 398 C GLY A 44 -13.964 3.912 -8.642 1.00 0.00 C ATOM 399 O GLY A 44 -14.685 3.101 -9.223 1.00 0.00 O ATOM 0 H GLY A 44 -15.798 6.602 -8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.869 5.228 -6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.470 4.596 -7.290 1.00 0.00 H new ATOM 403 N VAL A 45 -12.637 3.930 -8.777 1.00 0.00 N ATOM 404 CA VAL A 45 -11.969 2.961 -9.644 1.00 0.00 C ATOM 405 C VAL A 45 -10.686 2.399 -9.037 1.00 0.00 C ATOM 406 O VAL A 45 -9.692 3.105 -8.922 1.00 0.00 O ATOM 407 CB VAL A 45 -11.620 3.616 -10.997 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.828 2.661 -11.882 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.881 4.081 -11.709 1.00 0.00 C ATOM 0 H VAL A 45 -12.016 4.590 -8.308 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.669 2.136 -9.775 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.995 4.486 -10.796 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.596 3.150 -12.828 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.901 2.384 -11.380 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.420 1.765 -12.071 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.613 4.540 -12.661 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.533 3.227 -11.889 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.401 4.810 -11.088 1.00 0.00 H new ATOM 419 N THR A 46 -10.692 1.111 -8.702 1.00 0.00 N ATOM 420 CA THR A 46 -9.497 0.469 -8.162 1.00 0.00 C ATOM 421 C THR A 46 -8.527 0.194 -9.304 1.00 0.00 C ATOM 422 O THR A 46 -8.863 -0.513 -10.254 1.00 0.00 O ATOM 423 CB THR A 46 -9.849 -0.834 -7.438 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.014 -0.670 -6.649 1.00 0.00 O ATOM 425 CG2 THR A 46 -8.743 -1.332 -6.526 1.00 0.00 C ATOM 0 H THR A 46 -11.502 0.497 -8.794 1.00 0.00 H new ATOM 0 HA THR A 46 -9.034 1.135 -7.434 1.00 0.00 H new ATOM 0 HB THR A 46 -10.006 -1.569 -8.227 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.224 -1.513 -6.196 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.058 -2.258 -6.045 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.843 -1.516 -7.113 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.533 -0.581 -5.765 1.00 0.00 H new ATOM 433 N LEU A 47 -7.337 0.779 -9.232 1.00 0.00 N ATOM 434 CA LEU A 47 -6.351 0.610 -10.292 1.00 0.00 C ATOM 435 C LEU A 47 -5.264 -0.386 -9.918 1.00 0.00 C ATOM 436 O LEU A 47 -5.043 -1.365 -10.631 1.00 0.00 O ATOM 437 CB LEU A 47 -5.719 1.953 -10.647 1.00 0.00 C ATOM 438 CG LEU A 47 -6.699 3.111 -10.755 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.925 3.755 -9.398 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.198 4.134 -11.760 1.00 0.00 C ATOM 0 H LEU A 47 -7.033 1.370 -8.458 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.880 0.211 -11.158 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.971 2.197 -9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.193 1.851 -11.596 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.655 2.722 -11.106 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.629 4.581 -9.500 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.330 3.016 -8.707 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.978 4.132 -9.012 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.909 4.957 -11.827 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.230 4.517 -11.438 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.095 3.663 -12.738 1.00 0.00 H new ATOM 452 N VAL A 48 -4.566 -0.130 -8.817 1.00 0.00 N ATOM 453 CA VAL A 48 -3.490 -1.014 -8.400 1.00 0.00 C ATOM 454 C VAL A 48 -3.711 -1.554 -6.991 1.00 0.00 C ATOM 455 O VAL A 48 -4.248 -0.869 -6.121 1.00 0.00 O ATOM 456 CB VAL A 48 -2.127 -0.287 -8.482 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.155 -0.804 -7.433 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.539 -0.430 -9.878 1.00 0.00 C ATOM 0 H VAL A 48 -4.724 0.671 -8.206 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.485 -1.862 -9.084 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.296 0.770 -8.278 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.208 -0.271 -7.520 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.572 -0.642 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.987 -1.870 -7.587 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.580 0.086 -9.923 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.394 -1.486 -10.105 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.221 0.008 -10.607 1.00 0.00 H new ATOM 468 N SER A 49 -3.272 -2.789 -6.782 1.00 0.00 N ATOM 469 CA SER A 49 -3.390 -3.446 -5.489 1.00 0.00 C ATOM 470 C SER A 49 -2.246 -4.435 -5.303 1.00 0.00 C ATOM 471 O SER A 49 -2.133 -5.416 -6.038 1.00 0.00 O ATOM 472 CB SER A 49 -4.737 -4.157 -5.373 1.00 0.00 C ATOM 473 OG SER A 49 -4.850 -5.202 -6.323 1.00 0.00 O ATOM 0 H SER A 49 -2.827 -3.360 -7.501 1.00 0.00 H new ATOM 0 HA SER A 49 -3.333 -2.692 -4.704 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.851 -4.562 -4.368 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.544 -3.439 -5.521 1.00 0.00 H new ATOM 0 HG SER A 49 -3.956 -5.513 -6.576 1.00 0.00 H new ATOM 479 N ALA A 50 -1.388 -4.158 -4.329 1.00 0.00 N ATOM 480 CA ALA A 50 -0.236 -5.014 -4.061 1.00 0.00 C ATOM 481 C ALA A 50 -0.254 -5.562 -2.639 1.00 0.00 C ATOM 482 O ALA A 50 -0.745 -4.913 -1.716 1.00 0.00 O ATOM 483 CB ALA A 50 1.055 -4.248 -4.312 1.00 0.00 C ATOM 0 H ALA A 50 -1.466 -3.350 -3.712 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.291 -5.864 -4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.908 -4.896 -4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.087 -3.920 -5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.096 -3.379 -3.656 1.00 0.00 H new ATOM 489 N SER A 51 0.286 -6.767 -2.475 1.00 0.00 N ATOM 490 CA SER A 51 0.337 -7.415 -1.170 1.00 0.00 C ATOM 491 C SER A 51 1.548 -8.341 -1.066 1.00 0.00 C ATOM 492 O SER A 51 1.853 -9.085 -1.998 1.00 0.00 O ATOM 493 CB SER A 51 -0.949 -8.207 -0.924 1.00 0.00 C ATOM 494 OG SER A 51 -1.801 -8.166 -2.057 1.00 0.00 O ATOM 0 H SER A 51 0.695 -7.314 -3.232 1.00 0.00 H new ATOM 0 HA SER A 51 0.432 -6.640 -0.410 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.702 -9.242 -0.689 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.471 -7.799 -0.058 1.00 0.00 H new ATOM 0 HG SER A 51 -2.731 -8.065 -1.764 1.00 0.00 H new ATOM 500 N SER A 52 2.233 -8.293 0.073 1.00 0.00 N ATOM 501 CA SER A 52 3.406 -9.134 0.294 1.00 0.00 C ATOM 502 C SER A 52 3.042 -10.615 0.208 1.00 0.00 C ATOM 503 O SER A 52 3.602 -11.357 -0.600 1.00 0.00 O ATOM 504 CB SER A 52 4.028 -8.829 1.659 1.00 0.00 C ATOM 505 OG SER A 52 4.270 -7.441 1.810 1.00 0.00 O ATOM 0 H SER A 52 1.997 -7.683 0.855 1.00 0.00 H new ATOM 0 HA SER A 52 4.132 -8.912 -0.488 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.363 -9.174 2.451 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.963 -9.378 1.767 1.00 0.00 H new ATOM 0 HG SER A 52 4.807 -7.288 2.615 1.00 0.00 H new ATOM 679 N GLU A 63 8.772 -6.338 7.580 1.00 0.00 N ATOM 680 CA GLU A 63 10.073 -6.511 6.944 1.00 0.00 C ATOM 681 C GLU A 63 9.984 -6.231 5.447 1.00 0.00 C ATOM 682 O GLU A 63 10.729 -5.409 4.914 1.00 0.00 O ATOM 683 CB GLU A 63 10.598 -7.928 7.182 1.00 0.00 C ATOM 684 CG GLU A 63 12.107 -7.997 7.353 1.00 0.00 C ATOM 685 CD GLU A 63 12.520 -8.768 8.592 1.00 0.00 C ATOM 686 OE1 GLU A 63 12.139 -8.350 9.705 1.00 0.00 O ATOM 687 OE2 GLU A 63 13.225 -9.789 8.449 1.00 0.00 O ATOM 0 HA GLU A 63 10.767 -5.798 7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.121 -8.339 8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.306 -8.560 6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.547 -8.467 6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.509 -6.985 7.408 1.00 0.00 H new ATOM 694 N VAL A 64 9.065 -6.916 4.774 1.00 0.00 N ATOM 695 CA VAL A 64 8.877 -6.733 3.340 1.00 0.00 C ATOM 696 C VAL A 64 7.929 -5.576 3.052 1.00 0.00 C ATOM 697 O VAL A 64 7.935 -5.031 1.951 1.00 0.00 O ATOM 698 CB VAL A 64 8.318 -8.006 2.669 1.00 0.00 C ATOM 699 CG1 VAL A 64 7.937 -7.731 1.216 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.327 -9.141 2.756 1.00 0.00 C ATOM 0 H VAL A 64 8.440 -7.602 5.198 1.00 0.00 H new ATOM 0 HA VAL A 64 9.861 -6.514 2.926 1.00 0.00 H new ATOM 0 HB VAL A 64 7.417 -8.306 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.546 -8.642 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.175 -6.952 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.818 -7.402 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.916 -10.030 2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.247 -8.849 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.541 -9.358 3.802 1.00 0.00 H new ATOM 710 N ALA A 65 7.104 -5.219 4.037 1.00 0.00 N ATOM 711 CA ALA A 65 6.134 -4.136 3.880 1.00 0.00 C ATOM 712 C ALA A 65 6.629 -3.063 2.915 1.00 0.00 C ATOM 713 O ALA A 65 5.894 -2.606 2.047 1.00 0.00 O ATOM 714 CB ALA A 65 5.809 -3.520 5.224 1.00 0.00 C ATOM 0 H ALA A 65 7.089 -5.666 4.954 1.00 0.00 H new ATOM 0 HA ALA A 65 5.228 -4.569 3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.086 -2.716 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.388 -4.281 5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.719 -3.119 5.670 1.00 0.00 H new ATOM 720 N ARG A 66 7.890 -2.685 3.051 1.00 0.00 N ATOM 721 CA ARG A 66 8.474 -1.689 2.164 1.00 0.00 C ATOM 722 C ARG A 66 8.499 -2.224 0.761 1.00 0.00 C ATOM 723 O ARG A 66 7.866 -1.686 -0.142 1.00 0.00 O ATOM 724 CB ARG A 66 9.884 -1.347 2.599 1.00 0.00 C ATOM 725 CG ARG A 66 10.059 0.124 2.850 1.00 0.00 C ATOM 726 CD ARG A 66 11.149 0.714 1.988 1.00 0.00 C ATOM 727 NE ARG A 66 12.454 0.108 2.253 1.00 0.00 N ATOM 728 CZ ARG A 66 13.013 -0.832 1.491 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.387 -1.292 0.414 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.205 -1.316 1.810 1.00 0.00 N ATOM 0 H ARG A 66 8.526 -3.049 3.761 1.00 0.00 H new ATOM 0 HA ARG A 66 7.867 -0.784 2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.127 -1.900 3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.588 -1.669 1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.120 0.641 2.653 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.298 0.288 3.901 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.893 0.576 0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.207 1.788 2.164 1.00 0.00 H new ATOM 0 HE ARG A 66 12.969 0.425 3.074 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.469 -0.926 0.162 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.824 -2.011 -0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.692 -0.969 2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.635 -2.035 1.229 1.00 0.00 H new ATOM 744 N GLN A 67 9.213 -3.317 0.604 1.00 0.00 N ATOM 745 CA GLN A 67 9.300 -3.987 -0.681 1.00 0.00 C ATOM 746 C GLN A 67 7.896 -4.156 -1.256 1.00 0.00 C ATOM 747 O GLN A 67 7.711 -4.226 -2.473 1.00 0.00 O ATOM 748 CB GLN A 67 9.980 -5.350 -0.532 1.00 0.00 C ATOM 749 CG GLN A 67 11.490 -5.298 -0.698 1.00 0.00 C ATOM 750 CD GLN A 67 12.226 -5.981 0.438 1.00 0.00 C ATOM 751 OE1 GLN A 67 12.258 -5.481 1.562 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.824 -7.132 0.149 1.00 0.00 N ATOM 0 H GLN A 67 9.744 -3.764 1.351 1.00 0.00 H new ATOM 0 HA GLN A 67 9.900 -3.382 -1.360 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.745 -5.759 0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.565 -6.036 -1.270 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.765 -5.772 -1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.809 -4.258 -0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.772 -7.510 -0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.335 -7.637 0.873 1.00 0.00 H new ATOM 761 N VAL A 68 6.894 -4.187 -0.369 1.00 0.00 N ATOM 762 CA VAL A 68 5.517 -4.309 -0.819 1.00 0.00 C ATOM 763 C VAL A 68 5.007 -2.952 -1.277 1.00 0.00 C ATOM 764 O VAL A 68 4.212 -2.857 -2.212 1.00 0.00 O ATOM 765 CB VAL A 68 4.564 -4.920 0.249 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.870 -3.869 1.115 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.522 -5.772 -0.448 1.00 0.00 C ATOM 0 H VAL A 68 7.014 -4.130 0.642 1.00 0.00 H new ATOM 0 HA VAL A 68 5.518 -5.010 -1.653 1.00 0.00 H new ATOM 0 HB VAL A 68 5.177 -5.521 0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.221 -4.364 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.620 -3.281 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.274 -3.212 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.850 -6.204 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.950 -5.154 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.016 -6.572 -1.000 1.00 0.00 H new ATOM 777 N GLY A 69 5.491 -1.896 -0.622 1.00 0.00 N ATOM 778 CA GLY A 69 5.089 -0.562 -0.995 1.00 0.00 C ATOM 779 C GLY A 69 5.809 -0.104 -2.241 1.00 0.00 C ATOM 780 O GLY A 69 5.292 0.711 -2.988 1.00 0.00 O ATOM 0 H GLY A 69 6.150 -1.947 0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.012 -0.537 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.299 0.126 -0.176 1.00 0.00 H new ATOM 784 N ARG A 70 7.014 -0.633 -2.464 1.00 0.00 N ATOM 785 CA ARG A 70 7.795 -0.272 -3.642 1.00 0.00 C ATOM 786 C ARG A 70 7.204 -0.951 -4.862 1.00 0.00 C ATOM 787 O ARG A 70 7.112 -0.349 -5.925 1.00 0.00 O ATOM 788 CB ARG A 70 9.275 -0.635 -3.462 1.00 0.00 C ATOM 789 CG ARG A 70 9.576 -2.117 -3.602 1.00 0.00 C ATOM 790 CD ARG A 70 9.953 -2.476 -5.029 1.00 0.00 C ATOM 791 NE ARG A 70 10.458 -3.843 -5.133 1.00 0.00 N ATOM 792 CZ ARG A 70 11.192 -4.288 -6.150 1.00 0.00 C ATOM 793 NH1 ARG A 70 11.507 -3.479 -7.154 1.00 0.00 N ATOM 794 NH2 ARG A 70 11.610 -5.546 -6.164 1.00 0.00 N ATOM 0 H ARG A 70 7.465 -1.308 -1.847 1.00 0.00 H new ATOM 0 HA ARG A 70 7.749 0.808 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.864 -0.086 -4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.602 -0.301 -2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.390 -2.389 -2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.704 -2.697 -3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.082 -2.361 -5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.711 -1.781 -5.390 1.00 0.00 H new ATOM 0 HE ARG A 70 10.235 -4.495 -4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.186 -2.511 -7.149 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.070 -3.826 -7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.369 -6.172 -5.396 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.173 -5.888 -6.943 1.00 0.00 H new ATOM 808 N ALA A 71 6.760 -2.191 -4.694 1.00 0.00 N ATOM 809 CA ALA A 71 6.127 -2.905 -5.789 1.00 0.00 C ATOM 810 C ALA A 71 4.770 -2.276 -6.065 1.00 0.00 C ATOM 811 O ALA A 71 4.334 -2.175 -7.211 1.00 0.00 O ATOM 812 CB ALA A 71 5.971 -4.376 -5.459 1.00 0.00 C ATOM 0 H ALA A 71 6.826 -2.715 -3.821 1.00 0.00 H new ATOM 0 HA ALA A 71 6.755 -2.832 -6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.494 -4.888 -6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.952 -4.814 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.354 -4.485 -4.567 1.00 0.00 H new ATOM 818 N LEU A 72 4.126 -1.822 -4.991 1.00 0.00 N ATOM 819 CA LEU A 72 2.834 -1.162 -5.080 1.00 0.00 C ATOM 820 C LEU A 72 3.017 0.179 -5.751 1.00 0.00 C ATOM 821 O LEU A 72 2.380 0.493 -6.752 1.00 0.00 O ATOM 822 CB LEU A 72 2.264 -0.955 -3.681 1.00 0.00 C ATOM 823 CG LEU A 72 0.928 -0.213 -3.624 1.00 0.00 C ATOM 824 CD1 LEU A 72 -0.221 -1.193 -3.435 1.00 0.00 C ATOM 825 CD2 LEU A 72 0.946 0.821 -2.506 1.00 0.00 C ATOM 0 H LEU A 72 4.487 -1.903 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 72 2.146 -1.778 -5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.140 -1.930 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.993 -0.404 -3.087 1.00 0.00 H new ATOM 0 HG LEU A 72 0.778 0.306 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.163 -0.646 -3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.242 -1.894 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.082 -1.741 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.011 1.342 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.117 0.322 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.745 1.540 -2.688 1.00 0.00 H new ATOM 837 N ALA A 73 3.921 0.957 -5.188 1.00 0.00 N ATOM 838 CA ALA A 73 4.238 2.270 -5.725 1.00 0.00 C ATOM 839 C ALA A 73 4.790 2.134 -7.123 1.00 0.00 C ATOM 840 O ALA A 73 4.664 3.041 -7.939 1.00 0.00 O ATOM 841 CB ALA A 73 5.220 3.013 -4.830 1.00 0.00 C ATOM 0 H ALA A 73 4.452 0.703 -4.355 1.00 0.00 H new ATOM 0 HA ALA A 73 3.319 2.856 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.436 3.991 -5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.784 3.141 -3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.144 2.440 -4.749 1.00 0.00 H new ATOM 847 N GLU A 74 5.364 0.979 -7.406 1.00 0.00 N ATOM 848 CA GLU A 74 5.892 0.710 -8.721 1.00 0.00 C ATOM 849 C GLU A 74 4.723 0.372 -9.640 1.00 0.00 C ATOM 850 O GLU A 74 4.738 0.668 -10.835 1.00 0.00 O ATOM 851 CB GLU A 74 6.910 -0.423 -8.650 1.00 0.00 C ATOM 852 CG GLU A 74 8.309 0.045 -8.281 1.00 0.00 C ATOM 853 CD GLU A 74 9.194 -1.084 -7.788 1.00 0.00 C ATOM 854 OE1 GLU A 74 8.763 -2.254 -7.864 1.00 0.00 O ATOM 855 OE2 GLU A 74 10.320 -0.798 -7.329 1.00 0.00 O ATOM 0 H GLU A 74 5.474 0.215 -6.739 1.00 0.00 H new ATOM 0 HA GLU A 74 6.413 1.581 -9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.575 -1.157 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.947 -0.930 -9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.773 0.511 -9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.239 0.810 -7.508 1.00 0.00 H new ATOM 862 N LYS A 75 3.686 -0.212 -9.037 1.00 0.00 N ATOM 863 CA LYS A 75 2.462 -0.559 -9.735 1.00 0.00 C ATOM 864 C LYS A 75 1.678 0.702 -10.040 1.00 0.00 C ATOM 865 O LYS A 75 1.554 1.122 -11.190 1.00 0.00 O ATOM 866 CB LYS A 75 1.614 -1.465 -8.849 1.00 0.00 C ATOM 867 CG LYS A 75 1.973 -2.913 -8.980 1.00 0.00 C ATOM 868 CD LYS A 75 0.788 -3.815 -8.675 1.00 0.00 C ATOM 869 CE LYS A 75 0.980 -5.202 -9.261 1.00 0.00 C ATOM 870 NZ LYS A 75 0.245 -6.240 -8.487 1.00 0.00 N ATOM 0 H LYS A 75 3.679 -0.456 -8.047 1.00 0.00 H new ATOM 0 HA LYS A 75 2.710 -1.073 -10.664 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.731 -1.160 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.563 -1.332 -9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.329 -3.110 -9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.793 -3.148 -8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.655 -3.890 -7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.122 -3.371 -9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.636 -5.210 -10.295 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.042 -5.445 -9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.402 -7.172 -8.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.590 -6.251 -7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.772 -6.023 -8.493 1.00 0.00 H new ATOM 884 N ALA A 76 1.160 1.300 -8.974 1.00 0.00 N ATOM 885 CA ALA A 76 0.383 2.537 -9.071 1.00 0.00 C ATOM 886 C ALA A 76 1.073 3.520 -10.004 1.00 0.00 C ATOM 887 O ALA A 76 0.440 4.170 -10.839 1.00 0.00 O ATOM 888 CB ALA A 76 0.205 3.175 -7.700 1.00 0.00 C ATOM 0 H ALA A 76 1.264 0.947 -8.023 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.600 2.287 -9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.375 4.092 -7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.320 2.482 -7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.182 3.407 -7.277 1.00 0.00 H new ATOM 894 N LEU A 77 2.386 3.606 -9.859 1.00 0.00 N ATOM 895 CA LEU A 77 3.185 4.483 -10.690 1.00 0.00 C ATOM 896 C LEU A 77 2.971 4.181 -12.166 1.00 0.00 C ATOM 897 O LEU A 77 2.909 5.087 -12.996 1.00 0.00 O ATOM 898 CB LEU A 77 4.660 4.327 -10.341 1.00 0.00 C ATOM 899 CG LEU A 77 5.204 5.305 -9.304 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.670 5.008 -9.025 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.029 6.739 -9.781 1.00 0.00 C ATOM 0 H LEU A 77 2.919 3.076 -9.170 1.00 0.00 H new ATOM 0 HA LEU A 77 2.873 5.510 -10.501 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.822 3.313 -9.976 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.244 4.434 -11.255 1.00 0.00 H new ATOM 0 HG LEU A 77 4.642 5.183 -8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.049 5.711 -8.284 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.769 3.991 -8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.243 5.108 -9.947 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.422 7.423 -9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.569 6.879 -10.717 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.970 6.943 -9.939 1.00 0.00 H new ATOM 913 N ALA A 78 2.858 2.898 -12.480 1.00 0.00 N ATOM 914 CA ALA A 78 2.646 2.458 -13.850 1.00 0.00 C ATOM 915 C ALA A 78 1.437 3.156 -14.467 1.00 0.00 C ATOM 916 O ALA A 78 1.351 3.311 -15.685 1.00 0.00 O ATOM 917 CB ALA A 78 2.488 0.953 -13.880 1.00 0.00 C ATOM 0 H ALA A 78 2.910 2.140 -11.799 1.00 0.00 H new ATOM 0 HA ALA A 78 3.515 2.729 -14.449 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.329 0.624 -14.907 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.389 0.485 -13.484 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.632 0.665 -13.270 1.00 0.00 H new ATOM 923 N LEU A 79 0.524 3.611 -13.612 1.00 0.00 N ATOM 924 CA LEU A 79 -0.656 4.333 -14.061 1.00 0.00 C ATOM 925 C LEU A 79 -0.330 5.817 -14.116 1.00 0.00 C ATOM 926 O LEU A 79 -0.921 6.579 -14.881 1.00 0.00 O ATOM 927 CB LEU A 79 -1.843 4.126 -13.106 1.00 0.00 C ATOM 928 CG LEU A 79 -1.775 2.920 -12.163 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.321 3.303 -10.795 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.556 1.749 -12.740 1.00 0.00 C ATOM 0 H LEU A 79 0.583 3.490 -12.601 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.935 3.954 -15.044 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.950 5.025 -12.499 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.749 4.036 -13.706 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.734 2.615 -12.054 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.270 2.442 -10.129 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.727 4.118 -10.381 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.358 3.624 -10.894 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.497 0.901 -12.058 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.599 2.037 -12.872 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.132 1.469 -13.704 1.00 0.00 H new ATOM 942 N GLY A 80 0.613 6.210 -13.268 1.00 0.00 N ATOM 943 CA GLY A 80 1.026 7.589 -13.178 1.00 0.00 C ATOM 944 C GLY A 80 0.584 8.211 -11.871 1.00 0.00 C ATOM 945 O GLY A 80 0.601 9.432 -11.718 1.00 0.00 O ATOM 0 H GLY A 80 1.104 5.581 -12.632 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.111 7.652 -13.265 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.606 8.152 -14.012 1.00 0.00 H new ATOM 949 N ILE A 81 0.190 7.362 -10.920 1.00 0.00 N ATOM 950 CA ILE A 81 -0.254 7.834 -9.620 1.00 0.00 C ATOM 951 C ILE A 81 0.921 8.371 -8.828 1.00 0.00 C ATOM 952 O ILE A 81 1.777 7.621 -8.359 1.00 0.00 O ATOM 953 CB ILE A 81 -0.992 6.718 -8.833 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.419 6.502 -9.377 1.00 0.00 C ATOM 955 CG2 ILE A 81 -1.050 7.042 -7.344 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.740 7.253 -10.657 1.00 0.00 C ATOM 0 H ILE A 81 0.172 6.348 -11.031 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.966 8.644 -9.778 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.425 5.797 -8.969 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.567 5.436 -9.552 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.133 6.801 -8.610 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.572 6.243 -6.818 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.037 7.133 -6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.582 7.982 -7.197 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.765 7.036 -10.959 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.630 8.324 -10.488 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.056 6.938 -11.445 1.00 0.00 H new ATOM 968 N LYS A 82 0.954 9.687 -8.708 1.00 0.00 N ATOM 969 CA LYS A 82 2.006 10.367 -8.010 1.00 0.00 C ATOM 970 C LYS A 82 1.626 10.637 -6.562 1.00 0.00 C ATOM 971 O LYS A 82 2.365 10.298 -5.640 1.00 0.00 O ATOM 972 CB LYS A 82 2.294 11.675 -8.721 1.00 0.00 C ATOM 973 CG LYS A 82 3.554 12.309 -8.233 1.00 0.00 C ATOM 974 CD LYS A 82 4.269 13.080 -9.331 1.00 0.00 C ATOM 975 CE LYS A 82 3.505 14.337 -9.717 1.00 0.00 C ATOM 976 NZ LYS A 82 4.272 15.180 -10.676 1.00 0.00 N ATOM 0 H LYS A 82 0.244 10.307 -9.097 1.00 0.00 H new ATOM 0 HA LYS A 82 2.893 9.734 -8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.370 11.496 -9.794 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.461 12.361 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.324 12.983 -7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.218 11.539 -7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.270 13.350 -8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.388 12.442 -10.207 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.549 14.059 -10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.283 14.917 -8.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.717 16.027 -10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.173 15.467 -10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.462 14.636 -11.542 1.00 0.00 H new ATOM 990 N GLN A 83 0.468 11.252 -6.375 1.00 0.00 N ATOM 991 CA GLN A 83 -0.025 11.576 -5.046 1.00 0.00 C ATOM 992 C GLN A 83 -1.293 10.792 -4.751 1.00 0.00 C ATOM 993 O GLN A 83 -2.120 10.582 -5.638 1.00 0.00 O ATOM 994 CB GLN A 83 -0.296 13.077 -4.934 1.00 0.00 C ATOM 995 CG GLN A 83 0.771 13.823 -4.156 1.00 0.00 C ATOM 996 CD GLN A 83 1.660 14.670 -5.045 1.00 0.00 C ATOM 997 OE1 GLN A 83 1.180 15.365 -5.941 1.00 0.00 O ATOM 998 NE2 GLN A 83 2.964 14.616 -4.801 1.00 0.00 N ATOM 0 H GLN A 83 -0.151 11.538 -7.133 1.00 0.00 H new ATOM 0 HA GLN A 83 0.735 11.302 -4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.369 13.502 -5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.261 13.230 -4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.293 14.462 -3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.386 13.106 -3.612 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.318 14.026 -4.048 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.612 15.164 -5.367 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.446 10.353 -3.509 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.626 9.585 -3.132 1.00 0.00 C ATOM 1009 C VAL A 84 -3.314 10.161 -1.905 1.00 0.00 C ATOM 1010 O VAL A 84 -2.720 10.909 -1.128 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.308 8.097 -2.848 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.349 7.200 -3.484 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.926 7.708 -3.331 1.00 0.00 C ATOM 0 H VAL A 84 -0.778 10.512 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.289 9.650 -3.995 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.331 7.966 -1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.109 6.158 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.331 7.436 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.357 7.360 -4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.746 6.656 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.857 7.870 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.178 8.318 -2.824 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.569 9.771 -1.732 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.365 10.198 -0.595 1.00 0.00 C ATOM 1025 C ALA A 85 -5.425 9.073 0.427 1.00 0.00 C ATOM 1026 O ALA A 85 -6.173 8.112 0.261 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.767 10.590 -1.042 1.00 0.00 C ATOM 0 H ALA A 85 -5.061 9.151 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.901 11.073 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.349 10.907 -0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.705 11.410 -1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.252 9.734 -1.512 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.616 9.183 1.470 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.566 8.154 2.497 1.00 0.00 C ATOM 1035 C PHE A 86 -5.710 8.311 3.491 1.00 0.00 C ATOM 1036 O PHE A 86 -5.703 9.208 4.333 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.224 8.208 3.226 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.697 6.859 3.626 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.261 5.944 2.672 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -2.638 6.508 4.965 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.776 4.705 3.062 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.156 5.276 5.355 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.724 4.373 4.407 1.00 0.00 C ATOM 0 H PHE A 86 -3.988 9.971 1.627 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.673 7.184 2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.492 8.698 2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.330 8.825 4.118 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.301 6.200 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.974 7.209 5.714 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.439 3.999 2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.117 5.019 6.403 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.346 3.408 4.712 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.689 7.420 3.382 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.849 7.433 4.263 1.00 0.00 C ATOM 1055 C ASP A 87 -8.191 6.014 4.702 1.00 0.00 C ATOM 1056 O ASP A 87 -9.357 5.619 4.726 1.00 0.00 O ATOM 1057 CB ASP A 87 -9.045 8.076 3.555 1.00 0.00 C ATOM 1058 CG ASP A 87 -9.533 9.325 4.263 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -8.869 10.376 4.139 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -10.579 9.252 4.942 1.00 0.00 O ATOM 0 H ASP A 87 -6.701 6.674 2.686 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.612 8.024 5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.766 8.327 2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.859 7.354 3.495 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.153 5.254 5.046 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.301 3.868 5.489 1.00 0.00 C ATOM 1067 C ARG A 88 -8.544 3.679 6.355 1.00 0.00 C ATOM 1068 O ARG A 88 -9.234 2.665 6.259 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.067 3.448 6.283 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.668 4.465 7.341 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.205 4.332 7.724 1.00 0.00 C ATOM 1072 NE ARG A 88 -3.627 5.615 8.115 1.00 0.00 N ATOM 1073 CZ ARG A 88 -2.453 5.743 8.727 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -1.727 4.671 9.011 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -2.003 6.947 9.053 1.00 0.00 N ATOM 0 H ARG A 88 -6.187 5.581 5.026 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.409 3.246 4.600 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.260 2.489 6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.233 3.299 5.597 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.856 5.472 6.968 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.290 4.332 8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.108 3.624 8.547 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.645 3.922 6.883 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.155 6.463 7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.068 3.743 8.760 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.827 4.774 9.480 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.557 7.775 8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.103 7.045 9.522 1.00 0.00 H new ATOM 1089 N GLY A 89 -8.812 4.660 7.210 1.00 0.00 N ATOM 1090 CA GLY A 89 -9.960 4.582 8.093 1.00 0.00 C ATOM 1091 C GLY A 89 -9.562 4.162 9.497 1.00 0.00 C ATOM 1092 O GLY A 89 -8.805 4.872 10.160 1.00 0.00 O ATOM 0 H GLY A 89 -8.254 5.508 7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.457 5.552 8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.681 3.870 7.691 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.045 3.005 9.987 1.00 0.00 N ATOM 1097 CA PRO A 90 -9.711 2.514 11.322 1.00 0.00 C ATOM 1098 C PRO A 90 -8.341 1.835 11.356 1.00 0.00 C ATOM 1099 O PRO A 90 -8.206 0.715 11.848 1.00 0.00 O ATOM 1100 CB PRO A 90 -10.823 1.495 11.630 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.716 1.466 10.426 1.00 0.00 C ATOM 1102 CD PRO A 90 -10.944 2.080 9.294 1.00 0.00 C ATOM 0 HA PRO A 90 -9.653 3.324 12.049 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.403 0.509 11.825 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -11.381 1.786 12.520 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -12.006 0.443 10.185 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.634 2.022 10.613 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.394 1.331 8.724 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.597 2.598 8.592 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.328 2.519 10.829 1.00 0.00 N ATOM 1111 CA TYR A 91 -5.973 1.978 10.798 1.00 0.00 C ATOM 1112 C TYR A 91 -4.997 2.915 11.495 1.00 0.00 C ATOM 1113 O TYR A 91 -4.580 3.925 10.930 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.526 1.741 9.352 1.00 0.00 C ATOM 1115 CG TYR A 91 -5.909 0.380 8.824 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.232 -0.042 8.842 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -4.951 -0.484 8.311 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.590 -1.286 8.365 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.301 -1.730 7.829 1.00 0.00 C ATOM 1120 CZ TYR A 91 -6.622 -2.126 7.859 1.00 0.00 C ATOM 1121 OH TYR A 91 -6.976 -3.368 7.384 1.00 0.00 O ATOM 0 H TYR A 91 -7.421 3.448 10.418 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.978 1.026 11.330 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.965 2.507 8.713 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.444 1.856 9.290 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.993 0.615 9.236 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.916 -0.177 8.289 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.623 -1.600 8.388 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.545 -2.390 7.431 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.913 -3.354 7.098 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.628 2.568 12.723 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.691 3.378 13.486 1.00 0.00 C ATOM 1133 C LYS A 92 -2.294 3.244 12.899 1.00 0.00 C ATOM 1134 O LYS A 92 -1.884 2.154 12.502 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.688 2.953 14.955 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.026 3.963 15.879 1.00 0.00 C ATOM 1137 CD LYS A 92 -3.926 5.163 16.129 1.00 0.00 C ATOM 1138 CE LYS A 92 -3.482 6.372 15.320 1.00 0.00 C ATOM 1139 NZ LYS A 92 -4.474 7.481 15.391 1.00 0.00 N ATOM 0 H LYS A 92 -4.962 1.735 13.208 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.003 4.421 13.429 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.716 2.794 15.281 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.173 1.997 15.047 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.783 3.485 16.828 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.086 4.297 15.441 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.954 4.908 15.870 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.917 5.411 17.190 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.518 6.722 15.690 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.337 6.080 14.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.135 8.286 14.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.387 7.155 15.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.593 7.777 16.381 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.572 4.358 12.832 1.00 0.00 N ATOM 1154 CA TYR A 93 -0.222 4.362 12.277 1.00 0.00 C ATOM 1155 C TYR A 93 0.635 3.288 12.946 1.00 0.00 C ATOM 1156 O TYR A 93 1.297 3.545 13.952 1.00 0.00 O ATOM 1157 CB TYR A 93 0.412 5.747 12.459 1.00 0.00 C ATOM 1158 CG TYR A 93 1.411 6.150 11.384 1.00 0.00 C ATOM 1159 CD1 TYR A 93 1.554 5.425 10.202 1.00 0.00 C ATOM 1160 CD2 TYR A 93 2.208 7.276 11.556 1.00 0.00 C ATOM 1161 CE1 TYR A 93 2.460 5.812 9.232 1.00 0.00 C ATOM 1162 CE2 TYR A 93 3.116 7.666 10.589 1.00 0.00 C ATOM 1163 CZ TYR A 93 3.238 6.932 9.430 1.00 0.00 C ATOM 1164 OH TYR A 93 4.140 7.318 8.466 1.00 0.00 O ATOM 0 H TYR A 93 -1.898 5.269 13.155 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.278 4.138 11.212 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.383 6.492 12.490 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.913 5.775 13.427 1.00 0.00 H new ATOM 0 HD1 TYR A 93 0.947 4.546 10.041 1.00 0.00 H new ATOM 0 HD2 TYR A 93 2.116 7.857 12.462 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.558 5.238 8.322 1.00 0.00 H new ATOM 0 HE2 TYR A 93 3.727 8.543 10.742 1.00 0.00 H new ATOM 0 HH TYR A 93 4.607 8.127 8.761 1.00 0.00 H new ATOM 1174 N HIS A 94 0.603 2.080 12.387 1.00 0.00 N ATOM 1175 CA HIS A 94 1.361 0.958 12.931 1.00 0.00 C ATOM 1176 C HIS A 94 2.605 0.676 12.093 1.00 0.00 C ATOM 1177 O HIS A 94 3.018 1.504 11.283 1.00 0.00 O ATOM 1178 CB HIS A 94 0.477 -0.290 12.997 1.00 0.00 C ATOM 1179 CG HIS A 94 0.653 -1.084 14.255 1.00 0.00 C ATOM 1180 ND1 HIS A 94 -0.276 -1.997 14.706 1.00 0.00 N ATOM 1181 CD2 HIS A 94 1.661 -1.098 15.160 1.00 0.00 C ATOM 1182 CE1 HIS A 94 0.151 -2.538 15.833 1.00 0.00 C ATOM 1183 NE2 HIS A 94 1.324 -2.010 16.129 1.00 0.00 N ATOM 0 H HIS A 94 0.058 1.854 11.555 1.00 0.00 H new ATOM 0 HA HIS A 94 1.684 1.223 13.938 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.567 0.010 12.910 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.698 -0.927 12.141 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.562 -0.503 15.126 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -0.371 -3.285 16.413 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.889 -2.242 16.946 1.00 0.00 H new ATOM 1192 N GLY A 95 3.202 -0.494 12.301 1.00 0.00 N ATOM 1193 CA GLY A 95 4.398 -0.861 11.565 1.00 0.00 C ATOM 1194 C GLY A 95 4.130 -1.134 10.098 1.00 0.00 C ATOM 1195 O GLY A 95 4.751 -0.526 9.226 1.00 0.00 O ATOM 0 H GLY A 95 2.878 -1.195 12.967 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.132 -0.060 11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.840 -1.748 12.019 1.00 0.00 H new ATOM 1199 N ARG A 96 3.211 -2.058 9.823 1.00 0.00 N ATOM 1200 CA ARG A 96 2.869 -2.419 8.443 1.00 0.00 C ATOM 1201 C ARG A 96 2.684 -1.164 7.589 1.00 0.00 C ATOM 1202 O ARG A 96 3.522 -0.851 6.744 1.00 0.00 O ATOM 1203 CB ARG A 96 1.596 -3.277 8.397 1.00 0.00 C ATOM 1204 CG ARG A 96 1.424 -4.210 9.590 1.00 0.00 C ATOM 1205 CD ARG A 96 2.546 -5.234 9.679 1.00 0.00 C ATOM 1206 NE ARG A 96 3.349 -5.068 10.890 1.00 0.00 N ATOM 1207 CZ ARG A 96 2.857 -5.127 12.127 1.00 0.00 C ATOM 1208 NH1 ARG A 96 1.566 -5.361 12.330 1.00 0.00 N ATOM 1209 NH2 ARG A 96 3.662 -4.956 13.167 1.00 0.00 N ATOM 0 H ARG A 96 2.689 -2.571 10.534 1.00 0.00 H new ATOM 0 HA ARG A 96 3.694 -3.004 8.037 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.730 -2.618 8.338 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.606 -3.872 7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.395 -3.623 10.508 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.467 -4.726 9.512 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.122 -6.238 9.661 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.189 -5.144 8.803 1.00 0.00 H new ATOM 0 HE ARG A 96 4.348 -4.896 10.781 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.941 -5.497 11.535 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.199 -5.404 13.281 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.656 -4.780 13.019 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.287 -5.001 14.115 1.00 0.00 H new ATOM 1223 N VAL A 97 1.591 -0.441 7.833 1.00 0.00 N ATOM 1224 CA VAL A 97 1.289 0.784 7.123 1.00 0.00 C ATOM 1225 C VAL A 97 2.538 1.648 6.960 1.00 0.00 C ATOM 1226 O VAL A 97 2.686 2.355 5.970 1.00 0.00 O ATOM 1227 CB VAL A 97 0.203 1.573 7.882 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.762 2.206 9.141 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.409 2.633 7.005 1.00 0.00 C ATOM 0 H VAL A 97 0.893 -0.696 8.532 1.00 0.00 H new ATOM 0 HA VAL A 97 0.924 0.522 6.130 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.573 0.863 8.166 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.028 2.755 9.654 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.149 1.428 9.799 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.568 2.891 8.877 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.171 3.174 7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.365 3.329 6.681 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.864 2.165 6.132 1.00 0.00 H new ATOM 1239 N LYS A 98 3.435 1.575 7.940 1.00 0.00 N ATOM 1240 CA LYS A 98 4.673 2.344 7.903 1.00 0.00 C ATOM 1241 C LYS A 98 5.577 1.869 6.769 1.00 0.00 C ATOM 1242 O LYS A 98 5.637 2.484 5.704 1.00 0.00 O ATOM 1243 CB LYS A 98 5.405 2.262 9.244 1.00 0.00 C ATOM 1244 CG LYS A 98 5.908 3.609 9.731 1.00 0.00 C ATOM 1245 CD LYS A 98 5.506 3.866 11.168 1.00 0.00 C ATOM 1246 CE LYS A 98 4.068 4.335 11.257 1.00 0.00 C ATOM 1247 NZ LYS A 98 3.442 3.946 12.549 1.00 0.00 N ATOM 0 H LYS A 98 3.326 0.991 8.769 1.00 0.00 H new ATOM 0 HA LYS A 98 4.414 3.386 7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 98 4.734 1.839 9.992 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.249 1.578 9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.994 3.646 9.644 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.510 4.399 9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.631 2.954 11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.164 4.617 11.604 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.031 5.419 11.146 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.495 3.911 10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.642 4.579 12.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.100 2.966 12.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.145 4.021 13.312 1.00 0.00 H new ATOM 1261 N ALA A 99 6.290 0.764 7.020 1.00 0.00 N ATOM 1262 CA ALA A 99 7.206 0.191 6.039 1.00 0.00 C ATOM 1263 C ALA A 99 6.545 0.095 4.678 1.00 0.00 C ATOM 1264 O ALA A 99 7.181 0.302 3.648 1.00 0.00 O ATOM 1265 CB ALA A 99 7.684 -1.180 6.493 1.00 0.00 C ATOM 0 H ALA A 99 6.246 0.250 7.900 1.00 0.00 H new ATOM 0 HA ALA A 99 8.070 0.850 5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.366 -1.592 5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.201 -1.087 7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.828 -1.844 6.607 1.00 0.00 H new ATOM 1271 N LEU A 100 5.253 -0.199 4.678 1.00 0.00 N ATOM 1272 CA LEU A 100 4.503 -0.299 3.449 1.00 0.00 C ATOM 1273 C LEU A 100 4.334 1.077 2.828 1.00 0.00 C ATOM 1274 O LEU A 100 4.436 1.243 1.613 1.00 0.00 O ATOM 1275 CB LEU A 100 3.135 -0.919 3.729 1.00 0.00 C ATOM 1276 CG LEU A 100 2.074 -0.621 2.678 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.104 -1.783 2.558 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.333 0.669 3.010 1.00 0.00 C ATOM 0 H LEU A 100 4.707 -0.372 5.522 1.00 0.00 H new ATOM 0 HA LEU A 100 5.047 -0.935 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.251 -2.000 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.780 -0.561 4.696 1.00 0.00 H new ATOM 0 HG LEU A 100 2.571 -0.488 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.353 -1.553 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.647 -2.682 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.615 -1.949 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.580 0.863 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.848 0.570 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.041 1.498 3.040 1.00 0.00 H new ATOM 1290 N ALA A 101 4.060 2.060 3.675 1.00 0.00 N ATOM 1291 CA ALA A 101 3.858 3.419 3.215 1.00 0.00 C ATOM 1292 C ALA A 101 5.140 4.011 2.647 1.00 0.00 C ATOM 1293 O ALA A 101 5.090 4.755 1.672 1.00 0.00 O ATOM 1294 CB ALA A 101 3.290 4.277 4.325 1.00 0.00 C ATOM 0 H ALA A 101 3.973 1.937 4.684 1.00 0.00 H new ATOM 0 HA ALA A 101 3.131 3.398 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.145 5.294 3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.333 3.867 4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.982 4.288 5.167 1.00 0.00 H new ATOM 1300 N GLU A 102 6.297 3.658 3.216 1.00 0.00 N ATOM 1301 CA GLU A 102 7.550 4.164 2.666 1.00 0.00 C ATOM 1302 C GLU A 102 7.720 3.564 1.288 1.00 0.00 C ATOM 1303 O GLU A 102 8.026 4.263 0.340 1.00 0.00 O ATOM 1304 CB GLU A 102 8.783 3.862 3.533 1.00 0.00 C ATOM 1305 CG GLU A 102 8.546 2.870 4.658 1.00 0.00 C ATOM 1306 CD GLU A 102 9.828 2.477 5.366 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.885 2.437 4.702 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.775 2.208 6.585 1.00 0.00 O ATOM 0 H GLU A 102 6.389 3.047 4.027 1.00 0.00 H new ATOM 0 HA GLU A 102 7.486 5.252 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.576 3.478 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.145 4.796 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.854 3.303 5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.069 1.977 4.256 1.00 0.00 H new ATOM 1315 N GLY A 103 7.452 2.266 1.175 1.00 0.00 N ATOM 1316 CA GLY A 103 7.522 1.611 -0.118 1.00 0.00 C ATOM 1317 C GLY A 103 6.736 2.386 -1.145 1.00 0.00 C ATOM 1318 O GLY A 103 7.242 2.789 -2.189 1.00 0.00 O ATOM 0 H GLY A 103 7.189 1.659 1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.562 1.527 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.130 0.597 -0.040 1.00 0.00 H new ATOM 1322 N ALA A 104 5.458 2.564 -0.814 1.00 0.00 N ATOM 1323 CA ALA A 104 4.513 3.266 -1.660 1.00 0.00 C ATOM 1324 C ALA A 104 4.936 4.711 -1.885 1.00 0.00 C ATOM 1325 O ALA A 104 4.703 5.279 -2.949 1.00 0.00 O ATOM 1326 CB ALA A 104 3.125 3.207 -1.047 1.00 0.00 C ATOM 0 H ALA A 104 5.053 2.220 0.057 1.00 0.00 H new ATOM 0 HA ALA A 104 4.495 2.773 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.421 3.737 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.815 2.167 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.142 3.675 -0.063 1.00 0.00 H new ATOM 1332 N ARG A 105 5.572 5.307 -0.881 1.00 0.00 N ATOM 1333 CA ARG A 105 6.034 6.689 -0.983 1.00 0.00 C ATOM 1334 C ARG A 105 7.454 6.744 -1.540 1.00 0.00 C ATOM 1335 O ARG A 105 7.853 7.732 -2.157 1.00 0.00 O ATOM 1336 CB ARG A 105 5.949 7.380 0.385 1.00 0.00 C ATOM 1337 CG ARG A 105 6.738 8.678 0.492 1.00 0.00 C ATOM 1338 CD ARG A 105 5.981 9.849 -0.116 1.00 0.00 C ATOM 1339 NE ARG A 105 5.255 10.614 0.897 1.00 0.00 N ATOM 1340 CZ ARG A 105 5.170 11.945 0.913 1.00 0.00 C ATOM 1341 NH1 ARG A 105 5.768 12.674 -0.022 1.00 0.00 N ATOM 1342 NH2 ARG A 105 4.484 12.551 1.873 1.00 0.00 N ATOM 0 H ARG A 105 5.779 4.857 0.011 1.00 0.00 H new ATOM 0 HA ARG A 105 5.384 7.224 -1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 105 4.902 7.587 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.307 6.689 1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.952 8.888 1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.697 8.563 -0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.681 10.505 -0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.279 9.479 -0.863 1.00 0.00 H new ATOM 0 HE ARG A 105 4.783 10.097 1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.299 12.217 -0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.696 13.691 0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 105 4.023 11.999 2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.417 13.569 1.888 1.00 0.00 H new ATOM 1356 N GLU A 106 8.203 5.671 -1.331 1.00 0.00 N ATOM 1357 CA GLU A 106 9.567 5.577 -1.817 1.00 0.00 C ATOM 1358 C GLU A 106 9.537 5.188 -3.292 1.00 0.00 C ATOM 1359 O GLU A 106 10.385 5.604 -4.081 1.00 0.00 O ATOM 1360 CB GLU A 106 10.347 4.537 -0.992 1.00 0.00 C ATOM 1361 CG GLU A 106 10.307 3.125 -1.560 1.00 0.00 C ATOM 1362 CD GLU A 106 11.208 2.167 -0.808 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.868 2.605 0.158 1.00 0.00 O ATOM 1364 OE2 GLU A 106 11.255 0.977 -1.186 1.00 0.00 O ATOM 0 H GLU A 106 7.882 4.847 -0.823 1.00 0.00 H new ATOM 0 HA GLU A 106 10.070 6.538 -1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.387 4.856 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.945 4.519 0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.283 2.754 -1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.605 3.151 -2.608 1.00 0.00 H new ATOM 1371 N GLY A 107 8.534 4.384 -3.646 1.00 0.00 N ATOM 1372 CA GLY A 107 8.375 3.939 -5.014 1.00 0.00 C ATOM 1373 C GLY A 107 7.902 5.063 -5.927 1.00 0.00 C ATOM 1374 O GLY A 107 8.462 5.259 -7.005 1.00 0.00 O ATOM 0 H GLY A 107 7.826 4.033 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.324 3.549 -5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.658 3.118 -5.048 1.00 0.00 H new ATOM 1378 N GLY A 108 6.882 5.819 -5.497 1.00 0.00 N ATOM 1379 CA GLY A 108 6.395 6.921 -6.318 1.00 0.00 C ATOM 1380 C GLY A 108 5.199 7.670 -5.737 1.00 0.00 C ATOM 1381 O GLY A 108 5.035 8.863 -5.990 1.00 0.00 O ATOM 0 H GLY A 108 6.394 5.689 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.210 7.629 -6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.121 6.532 -7.299 1.00 0.00 H new ATOM 1385 N LEU A 109 4.344 6.974 -4.993 1.00 0.00 N ATOM 1386 CA LEU A 109 3.146 7.584 -4.425 1.00 0.00 C ATOM 1387 C LEU A 109 3.448 8.549 -3.292 1.00 0.00 C ATOM 1388 O LEU A 109 4.344 8.334 -2.485 1.00 0.00 O ATOM 1389 CB LEU A 109 2.200 6.499 -3.924 1.00 0.00 C ATOM 1390 CG LEU A 109 1.495 5.738 -5.029 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.510 5.080 -5.936 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.530 4.716 -4.453 1.00 0.00 C ATOM 0 H LEU A 109 4.459 5.986 -4.769 1.00 0.00 H new ATOM 0 HA LEU A 109 2.681 8.160 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.763 5.794 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.451 6.955 -3.276 1.00 0.00 H new ATOM 0 HG LEU A 109 0.912 6.443 -5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.993 4.536 -6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.150 5.843 -6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.120 4.386 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.037 4.183 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.079 4.006 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.219 5.224 -3.845 1.00 0.00 H new ATOM 1404 N GLU A 110 2.660 9.609 -3.239 1.00 0.00 N ATOM 1405 CA GLU A 110 2.790 10.623 -2.203 1.00 0.00 C ATOM 1406 C GLU A 110 1.443 10.864 -1.533 1.00 0.00 C ATOM 1407 O GLU A 110 0.618 11.632 -2.028 1.00 0.00 O ATOM 1408 CB GLU A 110 3.337 11.921 -2.787 1.00 0.00 C ATOM 1409 CG GLU A 110 4.854 12.002 -2.748 1.00 0.00 C ATOM 1410 CD GLU A 110 5.482 11.859 -4.120 1.00 0.00 C ATOM 1411 OE1 GLU A 110 5.648 12.889 -4.807 1.00 0.00 O ATOM 1412 OE2 GLU A 110 5.808 10.717 -4.508 1.00 0.00 O ATOM 0 H GLU A 110 1.914 9.792 -3.910 1.00 0.00 H new ATOM 0 HA GLU A 110 3.494 10.265 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.001 12.018 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.920 12.764 -2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.152 12.957 -2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.239 11.220 -2.093 1.00 0.00 H new ATOM 1419 N PHE A 111 1.219 10.184 -0.417 1.00 0.00 N ATOM 1420 CA PHE A 111 -0.036 10.298 0.315 1.00 0.00 C ATOM 1421 C PHE A 111 0.209 10.705 1.765 1.00 0.00 C ATOM 1422 O PHE A 111 0.667 9.849 2.550 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.777 8.960 0.261 1.00 0.00 C ATOM 1424 CG PHE A 111 0.142 7.782 0.395 1.00 0.00 C ATOM 1425 CD1 PHE A 111 0.909 7.369 -0.679 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.256 7.105 1.596 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.772 6.301 -0.561 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.121 6.036 1.724 1.00 0.00 C ATOM 1429 CZ PHE A 111 1.880 5.634 0.643 1.00 0.00 C ATOM 1430 OXT PHE A 111 -0.060 11.877 2.103 1.00 0.00 O ATOM 0 H PHE A 111 1.893 9.544 0.003 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.644 11.073 -0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.520 8.928 1.058 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.319 8.887 -0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.831 7.890 -1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.338 7.416 2.443 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.363 5.986 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.203 5.516 2.667 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.558 4.799 0.739 1.00 0.00 H new