USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 846 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 106 TYR OH : rot 165:sc= 0.0324 USER MOD Set 1.2: A 108 GLN :FLIP amide:sc= 0.216 F(o=-0.41,f=0.25) USER MOD Set 2.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 48 TYR OH : rot 48:sc= 0.0364 USER MOD Set 3.2: A 66 GLN : amide:sc= 0.0347 X(o=0.071,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= -0.0503 (180deg=-0.282) USER MOD Single : A 4 MET CE :methyl -136:sc= -3.41! (180deg=-6.9!) USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.0265 (180deg=-0.256) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -21:sc= 0.358 USER MOD Single : A 20 HIS : no HD1:sc= -0.0877 K(o=-0.088,f=-0.81) USER MOD Single : A 24 MET CE :methyl 154:sc= -0.177 (180deg=-0.868) USER MOD Single : A 29 GLN : amide:sc= -1.41 K(o=-1.4,f=-4.2!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 156:sc= -0.0332 (180deg=-0.297) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 45 GLN : amide:sc= 0.441 K(o=0.44,f=-5.1!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= -0.0905 (180deg=-0.0923) USER MOD Single : A 64 SER OG : rot -140:sc= -0.0637 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 145:sc= 0.413 USER MOD Single : A 82 SER OG : rot -82:sc= 0.197 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.221 F(o=-2.1,f=-0.22) 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+ -141:sc= -0.865 (180deg=-2.8!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -71:sc= 0.644 USER MOD Single : A 102 LYS NZ :NH3+ 141:sc= -1.41 (180deg=-3.46!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.478 16.345 -3.113 1.00 0.00 N ATOM 2 CA MET A 1 8.256 15.465 -4.025 1.00 0.00 C ATOM 3 C MET A 1 9.744 15.480 -3.679 1.00 0.00 C ATOM 4 O MET A 1 10.264 16.478 -3.171 1.00 0.00 O ATOM 5 CB MET A 1 8.029 15.926 -5.474 1.00 0.00 C ATOM 6 CG MET A 1 8.361 17.391 -5.729 1.00 0.00 C ATOM 7 SD MET A 1 8.053 17.884 -7.436 1.00 0.00 S ATOM 8 CE MET A 1 8.527 19.611 -7.383 1.00 0.00 C ATOM 0 H1 MET A 1 6.659 16.735 -3.622 1.00 0.00 H new ATOM 0 H2 MET A 1 7.147 15.793 -2.296 1.00 0.00 H new ATOM 0 H3 MET A 1 8.083 17.124 -2.782 1.00 0.00 H new ATOM 0 HA MET A 1 7.911 14.438 -3.908 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.634 15.308 -6.138 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.986 15.751 -5.739 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.768 18.016 -5.061 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.408 17.570 -5.486 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.392 20.056 -8.369 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.905 20.137 -6.659 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.573 19.692 -7.089 1.00 0.00 H new ATOM 20 N GLY A 2 10.417 14.362 -3.959 1.00 0.00 N ATOM 21 CA GLY A 2 11.840 14.247 -3.675 1.00 0.00 C ATOM 22 C GLY A 2 12.206 12.902 -3.062 1.00 0.00 C ATOM 23 O GLY A 2 11.314 12.085 -2.819 1.00 0.00 O ATOM 0 H GLY A 2 9.999 13.532 -4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.404 14.388 -4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.137 15.045 -2.995 1.00 0.00 H new ATOM 27 N PRO A 3 13.516 12.631 -2.798 1.00 0.00 N ATOM 28 CA PRO A 3 13.953 11.364 -2.209 1.00 0.00 C ATOM 29 C PRO A 3 13.449 11.189 -0.781 1.00 0.00 C ATOM 30 O PRO A 3 13.242 12.168 -0.061 1.00 0.00 O ATOM 31 CB PRO A 3 15.483 11.434 -2.235 1.00 0.00 C ATOM 32 CG PRO A 3 15.838 12.611 -3.068 1.00 0.00 C ATOM 33 CD PRO A 3 14.659 13.528 -3.052 1.00 0.00 C ATOM 0 HA PRO A 3 13.558 10.512 -2.762 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.884 11.538 -1.227 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.906 10.521 -2.654 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.721 13.112 -2.672 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.075 12.305 -4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.753 14.286 -2.274 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.550 14.056 -4.000 1.00 0.00 H new ATOM 41 N MET A 4 13.231 9.932 -0.398 1.00 0.00 N ATOM 42 CA MET A 4 12.720 9.592 0.930 1.00 0.00 C ATOM 43 C MET A 4 13.116 8.153 1.308 1.00 0.00 C ATOM 44 O MET A 4 13.547 7.405 0.426 1.00 0.00 O ATOM 45 CB MET A 4 11.188 9.759 0.927 1.00 0.00 C ATOM 46 CG MET A 4 10.483 8.995 -0.191 1.00 0.00 C ATOM 47 SD MET A 4 9.271 10.004 -1.064 1.00 0.00 S ATOM 48 CE MET A 4 8.131 10.385 0.262 1.00 0.00 C ATOM 0 H MET A 4 13.402 9.124 -0.996 1.00 0.00 H new ATOM 0 HA MET A 4 13.155 10.258 1.675 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.794 9.424 1.887 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.948 10.818 0.837 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.225 8.630 -0.901 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.987 8.120 0.229 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.107 10.267 -0.093 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.305 9.707 1.098 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.285 11.413 0.590 1.00 0.00 H new ATOM 58 N PRO A 5 12.991 7.731 2.616 1.00 0.00 N ATOM 59 CA PRO A 5 13.351 6.362 3.045 1.00 0.00 C ATOM 60 C PRO A 5 12.706 5.283 2.176 1.00 0.00 C ATOM 61 O PRO A 5 11.712 5.536 1.490 1.00 0.00 O ATOM 62 CB PRO A 5 12.818 6.285 4.477 1.00 0.00 C ATOM 63 CG PRO A 5 12.856 7.688 4.961 1.00 0.00 C ATOM 64 CD PRO A 5 12.505 8.535 3.770 1.00 0.00 C ATOM 0 HA PRO A 5 14.423 6.183 2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.805 5.883 4.503 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.435 5.634 5.096 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.147 7.842 5.774 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.843 7.943 5.347 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.432 8.717 3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.991 9.510 3.813 1.00 0.00 H new ATOM 72 N LYS A 6 13.292 4.088 2.193 1.00 0.00 N ATOM 73 CA LYS A 6 12.801 2.970 1.386 1.00 0.00 C ATOM 74 C LYS A 6 11.400 2.515 1.796 1.00 0.00 C ATOM 75 O LYS A 6 10.654 2.016 0.951 1.00 0.00 O ATOM 76 CB LYS A 6 13.778 1.790 1.440 1.00 0.00 C ATOM 77 CG LYS A 6 15.061 2.009 0.632 1.00 0.00 C ATOM 78 CD LYS A 6 16.123 2.810 1.388 1.00 0.00 C ATOM 79 CE LYS A 6 16.732 2.025 2.547 1.00 0.00 C ATOM 80 NZ LYS A 6 17.444 0.802 2.081 1.00 0.00 N ATOM 0 H LYS A 6 14.111 3.867 2.759 1.00 0.00 H new ATOM 0 HA LYS A 6 12.733 3.334 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.043 1.598 2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.275 0.897 1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.476 1.041 0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.815 2.529 -0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.913 3.103 0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.677 3.728 1.770 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.427 2.664 3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.945 1.742 3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.062 0.450 2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.749 0.069 1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.019 1.032 1.245 1.00 0.00 H new ATOM 94 N LEU A 7 11.058 2.688 3.092 1.00 0.00 N ATOM 95 CA LEU A 7 9.741 2.302 3.662 1.00 0.00 C ATOM 96 C LEU A 7 9.626 0.778 3.858 1.00 0.00 C ATOM 97 O LEU A 7 8.994 0.320 4.813 1.00 0.00 O ATOM 98 CB LEU A 7 8.567 2.830 2.797 1.00 0.00 C ATOM 99 CG LEU A 7 7.158 2.658 3.385 1.00 0.00 C ATOM 100 CD1 LEU A 7 6.891 3.690 4.475 1.00 0.00 C ATOM 101 CD2 LEU A 7 6.110 2.760 2.287 1.00 0.00 C ATOM 0 H LEU A 7 11.689 3.101 3.779 1.00 0.00 H new ATOM 0 HA LEU A 7 9.675 2.771 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.732 3.891 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.599 2.325 1.832 1.00 0.00 H new ATOM 0 HG LEU A 7 7.097 1.667 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.887 3.546 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.621 3.570 5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.974 4.692 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.117 2.636 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.178 3.737 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.283 1.980 1.545 1.00 0.00 H new ATOM 113 N ALA A 8 10.242 0.004 2.953 1.00 0.00 N ATOM 114 CA ALA A 8 10.222 -1.457 3.011 1.00 0.00 C ATOM 115 C ALA A 8 11.420 -2.033 2.249 1.00 0.00 C ATOM 116 O ALA A 8 12.352 -1.296 1.914 1.00 0.00 O ATOM 117 CB ALA A 8 8.912 -1.989 2.440 1.00 0.00 C ATOM 0 H ALA A 8 10.767 0.377 2.162 1.00 0.00 H new ATOM 0 HA ALA A 8 10.295 -1.770 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.909 -3.078 2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.077 -1.598 3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.812 -1.672 1.402 1.00 0.00 H new ATOM 123 N ASP A 9 11.398 -3.343 1.977 1.00 0.00 N ATOM 124 CA ASP A 9 12.490 -3.996 1.255 1.00 0.00 C ATOM 125 C ASP A 9 11.954 -4.832 0.091 1.00 0.00 C ATOM 126 O ASP A 9 12.395 -4.672 -1.052 1.00 0.00 O ATOM 127 CB ASP A 9 13.305 -4.874 2.216 1.00 0.00 C ATOM 128 CG ASP A 9 14.632 -5.331 1.630 1.00 0.00 C ATOM 129 OD1 ASP A 9 14.620 -6.091 0.637 1.00 0.00 O ATOM 130 OD2 ASP A 9 15.684 -4.928 2.166 1.00 0.00 O ATOM 0 H ASP A 9 10.638 -3.968 2.246 1.00 0.00 H new ATOM 0 HA ASP A 9 13.140 -3.224 0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.493 -4.318 3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.715 -5.749 2.488 1.00 0.00 H new ATOM 135 N ARG A 10 11.010 -5.728 0.391 1.00 0.00 N ATOM 136 CA ARG A 10 10.415 -6.601 -0.624 1.00 0.00 C ATOM 137 C ARG A 10 8.893 -6.461 -0.648 1.00 0.00 C ATOM 138 O ARG A 10 8.290 -5.930 0.290 1.00 0.00 O ATOM 139 CB ARG A 10 10.799 -8.059 -0.358 1.00 0.00 C ATOM 140 CG ARG A 10 12.289 -8.329 -0.431 1.00 0.00 C ATOM 141 CD ARG A 10 12.676 -9.494 0.466 1.00 0.00 C ATOM 142 NE ARG A 10 12.146 -10.780 -0.004 1.00 0.00 N ATOM 143 CZ ARG A 10 12.665 -11.496 -1.010 1.00 0.00 C ATOM 144 NH1 ARG A 10 13.759 -11.090 -1.647 1.00 0.00 N ATOM 145 NH2 ARG A 10 12.088 -12.634 -1.370 1.00 0.00 N ATOM 0 H ARG A 10 10.641 -5.868 1.331 1.00 0.00 H new ATOM 0 HA ARG A 10 10.802 -6.298 -1.597 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.437 -8.345 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.289 -8.696 -1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.573 -8.548 -1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.839 -7.437 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.763 -9.555 0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.312 -9.304 1.476 1.00 0.00 H new ATOM 0 HE ARG A 10 11.324 -11.155 0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.217 -10.221 -1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.141 -11.648 -2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.254 -12.960 -0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.478 -13.184 -2.135 1.00 0.00 H new ATOM 159 N LYS A 11 8.287 -6.933 -1.738 1.00 0.00 N ATOM 160 CA LYS A 11 6.840 -6.869 -1.931 1.00 0.00 C ATOM 161 C LYS A 11 6.285 -8.214 -2.406 1.00 0.00 C ATOM 162 O LYS A 11 7.043 -9.098 -2.817 1.00 0.00 O ATOM 163 CB LYS A 11 6.517 -5.780 -2.960 1.00 0.00 C ATOM 164 CG LYS A 11 7.244 -5.981 -4.281 1.00 0.00 C ATOM 165 CD LYS A 11 7.286 -4.718 -5.110 1.00 0.00 C ATOM 166 CE LYS A 11 8.330 -4.829 -6.207 1.00 0.00 C ATOM 167 NZ LYS A 11 8.447 -3.570 -6.994 1.00 0.00 N ATOM 0 H LYS A 11 8.787 -7.371 -2.512 1.00 0.00 H new ATOM 0 HA LYS A 11 6.371 -6.631 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.442 -5.765 -3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.784 -4.807 -2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.262 -6.319 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.750 -6.770 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.306 -4.534 -5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.513 -3.865 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.296 -5.071 -5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.069 -5.651 -6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.170 -3.688 -7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.532 -3.351 -7.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.721 -2.790 -6.363 1.00 0.00 H new ATOM 181 N LEU A 12 4.957 -8.350 -2.363 1.00 0.00 N ATOM 182 CA LEU A 12 4.286 -9.571 -2.804 1.00 0.00 C ATOM 183 C LEU A 12 3.492 -9.308 -4.075 1.00 0.00 C ATOM 184 O LEU A 12 2.577 -8.479 -4.084 1.00 0.00 O ATOM 185 CB LEU A 12 3.352 -10.117 -1.715 1.00 0.00 C ATOM 186 CG LEU A 12 4.033 -10.606 -0.430 1.00 0.00 C ATOM 187 CD1 LEU A 12 2.994 -10.867 0.650 1.00 0.00 C ATOM 188 CD2 LEU A 12 4.847 -11.870 -0.694 1.00 0.00 C ATOM 0 H LEU A 12 4.325 -7.625 -2.025 1.00 0.00 H new ATOM 0 HA LEU A 12 5.054 -10.318 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.639 -9.336 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.779 -10.943 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 12 4.713 -9.826 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.490 -11.213 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.451 -9.946 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.295 -11.629 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.320 -12.198 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.189 -12.656 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.614 -11.660 -1.439 1.00 0.00 H new ATOM 200 N CYS A 13 3.854 -10.021 -5.139 1.00 0.00 N ATOM 201 CA CYS A 13 3.194 -9.888 -6.435 1.00 0.00 C ATOM 202 C CYS A 13 2.622 -11.227 -6.893 1.00 0.00 C ATOM 203 O CYS A 13 2.896 -12.268 -6.289 1.00 0.00 O ATOM 204 CB CYS A 13 4.181 -9.378 -7.488 1.00 0.00 C ATOM 205 SG CYS A 13 4.904 -7.747 -7.131 1.00 0.00 S ATOM 0 H CYS A 13 4.611 -10.705 -5.127 1.00 0.00 H new ATOM 0 HA CYS A 13 2.380 -9.172 -6.322 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.988 -10.103 -7.590 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.671 -9.331 -8.450 1.00 0.00 H new ATOM 210 N ALA A 14 1.845 -11.190 -7.976 1.00 0.00 N ATOM 211 CA ALA A 14 1.247 -12.394 -8.541 1.00 0.00 C ATOM 212 C ALA A 14 2.209 -13.044 -9.530 1.00 0.00 C ATOM 213 O ALA A 14 2.250 -14.268 -9.660 1.00 0.00 O ATOM 214 CB ALA A 14 -0.074 -12.062 -9.217 1.00 0.00 C ATOM 0 H ALA A 14 1.616 -10.333 -8.480 1.00 0.00 H new ATOM 0 HA ALA A 14 1.050 -13.100 -7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.508 -12.971 -9.634 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.760 -11.635 -8.485 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.098 -11.342 -10.017 1.00 0.00 H new ATOM 220 N ASP A 15 2.987 -12.201 -10.216 1.00 0.00 N ATOM 221 CA ASP A 15 3.973 -12.657 -11.194 1.00 0.00 C ATOM 222 C ASP A 15 5.309 -11.949 -10.973 1.00 0.00 C ATOM 223 O ASP A 15 5.394 -11.007 -10.180 1.00 0.00 O ATOM 224 CB ASP A 15 3.480 -12.407 -12.626 1.00 0.00 C ATOM 225 CG ASP A 15 2.342 -13.326 -13.031 1.00 0.00 C ATOM 226 OD1 ASP A 15 1.261 -13.250 -12.412 1.00 0.00 O ATOM 227 OD2 ASP A 15 2.534 -14.126 -13.970 1.00 0.00 O ATOM 0 H ASP A 15 2.950 -11.187 -10.108 1.00 0.00 H new ATOM 0 HA ASP A 15 4.112 -13.730 -11.058 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.153 -11.371 -12.716 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.311 -12.540 -13.319 1.00 0.00 H new ATOM 232 N GLN A 16 6.345 -12.407 -11.681 1.00 0.00 N ATOM 233 CA GLN A 16 7.688 -11.828 -11.574 1.00 0.00 C ATOM 234 C GLN A 16 7.726 -10.406 -12.153 1.00 0.00 C ATOM 235 O GLN A 16 8.643 -9.631 -11.862 1.00 0.00 O ATOM 236 CB GLN A 16 8.697 -12.731 -12.301 1.00 0.00 C ATOM 237 CG GLN A 16 10.156 -12.393 -12.021 1.00 0.00 C ATOM 238 CD GLN A 16 11.120 -13.305 -12.756 1.00 0.00 C ATOM 239 OE1 GLN A 16 11.124 -14.519 -12.551 1.00 0.00 O ATOM 240 NE2 GLN A 16 11.944 -12.721 -13.618 1.00 0.00 N ATOM 0 H GLN A 16 6.279 -13.183 -12.339 1.00 0.00 H new ATOM 0 HA GLN A 16 7.956 -11.763 -10.519 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.514 -13.766 -12.013 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.520 -12.663 -13.374 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.347 -11.360 -12.311 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.342 -12.463 -10.949 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.906 -11.711 -13.756 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.615 -13.282 -14.142 1.00 0.00 H new ATOM 249 N GLU A 17 6.722 -10.072 -12.965 1.00 0.00 N ATOM 250 CA GLU A 17 6.629 -8.752 -13.586 1.00 0.00 C ATOM 251 C GLU A 17 5.865 -7.767 -12.707 1.00 0.00 C ATOM 252 O GLU A 17 5.921 -6.557 -12.949 1.00 0.00 O ATOM 253 CB GLU A 17 5.933 -8.842 -14.956 1.00 0.00 C ATOM 254 CG GLU A 17 6.752 -9.550 -16.034 1.00 0.00 C ATOM 255 CD GLU A 17 6.673 -11.071 -15.976 1.00 0.00 C ATOM 256 OE1 GLU A 17 5.847 -11.607 -15.205 1.00 0.00 O ATOM 257 OE2 GLU A 17 7.430 -11.727 -16.722 1.00 0.00 O ATOM 0 H GLU A 17 5.958 -10.702 -13.208 1.00 0.00 H new ATOM 0 HA GLU A 17 7.649 -8.390 -13.713 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.985 -9.366 -14.835 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.699 -7.834 -15.298 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.410 -9.216 -17.013 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.795 -9.247 -15.941 1.00 0.00 H new ATOM 264 N CYS A 18 5.127 -8.296 -11.708 1.00 0.00 N ATOM 265 CA CYS A 18 4.306 -7.472 -10.799 1.00 0.00 C ATOM 266 C CYS A 18 3.301 -6.639 -11.603 1.00 0.00 C ATOM 267 O CYS A 18 2.893 -5.549 -11.192 1.00 0.00 O ATOM 268 CB CYS A 18 5.182 -6.565 -9.914 1.00 0.00 C ATOM 269 SG CYS A 18 6.185 -7.456 -8.681 1.00 0.00 S ATOM 0 H CYS A 18 5.084 -9.296 -11.511 1.00 0.00 H new ATOM 0 HA CYS A 18 3.758 -8.143 -10.138 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.847 -5.986 -10.555 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.539 -5.854 -9.396 1.00 0.00 H new ATOM 274 N SER A 19 2.926 -7.178 -12.768 1.00 0.00 N ATOM 275 CA SER A 19 1.992 -6.526 -13.677 1.00 0.00 C ATOM 276 C SER A 19 0.567 -7.052 -13.484 1.00 0.00 C ATOM 277 O SER A 19 -0.385 -6.512 -14.054 1.00 0.00 O ATOM 278 CB SER A 19 2.461 -6.743 -15.114 1.00 0.00 C ATOM 279 OG SER A 19 1.579 -6.144 -16.047 1.00 0.00 O ATOM 0 H SER A 19 3.265 -8.080 -13.103 1.00 0.00 H new ATOM 0 HA SER A 19 1.972 -5.458 -13.458 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.460 -6.326 -15.238 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.534 -7.812 -15.316 1.00 0.00 H new ATOM 0 HG SER A 19 0.704 -6.006 -15.628 1.00 0.00 H new ATOM 285 N HIS A 20 0.433 -8.103 -12.672 1.00 0.00 N ATOM 286 CA HIS A 20 -0.868 -8.708 -12.389 1.00 0.00 C ATOM 287 C HIS A 20 -1.443 -8.221 -11.051 1.00 0.00 C ATOM 288 O HIS A 20 -0.685 -7.943 -10.119 1.00 0.00 O ATOM 289 CB HIS A 20 -0.753 -10.237 -12.357 1.00 0.00 C ATOM 290 CG HIS A 20 -0.996 -10.934 -13.668 1.00 0.00 C ATOM 291 ND1 HIS A 20 -1.145 -12.299 -13.748 1.00 0.00 N ATOM 292 CD2 HIS A 20 -1.144 -10.469 -14.937 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.377 -12.648 -14.995 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.381 -11.558 -15.741 1.00 0.00 N ATOM 0 H HIS A 20 1.215 -8.554 -12.197 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.543 -8.403 -13.189 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.244 -10.501 -12.005 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.462 -10.622 -11.624 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.086 -9.438 -15.254 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.537 -13.656 -15.349 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.535 -11.529 -16.749 1.00 0.00 H new ATOM 303 N PRO A 21 -2.801 -8.130 -10.922 1.00 0.00 N ATOM 304 CA PRO A 21 -3.452 -7.703 -9.692 1.00 0.00 C ATOM 305 C PRO A 21 -3.789 -8.894 -8.790 1.00 0.00 C ATOM 306 O PRO A 21 -4.546 -9.789 -9.183 1.00 0.00 O ATOM 307 CB PRO A 21 -4.727 -7.018 -10.200 1.00 0.00 C ATOM 308 CG PRO A 21 -4.999 -7.597 -11.561 1.00 0.00 C ATOM 309 CD PRO A 21 -3.813 -8.450 -11.947 1.00 0.00 C ATOM 0 HA PRO A 21 -2.824 -7.054 -9.082 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.563 -7.201 -9.525 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.593 -5.938 -10.256 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.910 -8.195 -11.546 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.151 -6.802 -12.291 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.065 -9.511 -11.943 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.457 -8.210 -12.949 1.00 0.00 H new ATOM 317 N ILE A 22 -3.212 -8.911 -7.588 1.00 0.00 N ATOM 318 CA ILE A 22 -3.441 -10.005 -6.646 1.00 0.00 C ATOM 319 C ILE A 22 -4.883 -10.011 -6.143 1.00 0.00 C ATOM 320 O ILE A 22 -5.624 -10.961 -6.392 1.00 0.00 O ATOM 321 CB ILE A 22 -2.474 -9.964 -5.423 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.009 -10.060 -5.869 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.788 -11.090 -4.438 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.370 -8.724 -6.180 1.00 0.00 C ATOM 0 H ILE A 22 -2.585 -8.183 -7.245 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.242 -10.920 -7.203 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.624 -9.007 -4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.433 -10.553 -5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.950 -10.694 -6.754 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.099 -11.038 -3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.811 -10.983 -4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.678 -12.052 -4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.664 -8.878 -6.488 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.919 -8.237 -6.986 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.394 -8.093 -5.291 1.00 0.00 H new ATOM 336 N SER A 23 -5.262 -8.963 -5.415 1.00 0.00 N ATOM 337 CA SER A 23 -6.603 -8.880 -4.855 1.00 0.00 C ATOM 338 C SER A 23 -7.256 -7.519 -5.092 1.00 0.00 C ATOM 339 O SER A 23 -6.596 -6.475 -5.058 1.00 0.00 O ATOM 340 CB SER A 23 -6.540 -9.192 -3.359 1.00 0.00 C ATOM 341 OG SER A 23 -5.547 -8.409 -2.720 1.00 0.00 O ATOM 0 H SER A 23 -4.662 -8.166 -5.202 1.00 0.00 H new ATOM 0 HA SER A 23 -7.227 -9.614 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.511 -8.999 -2.902 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.324 -10.250 -3.213 1.00 0.00 H new ATOM 0 HG SER A 23 -5.526 -8.624 -1.764 1.00 0.00 H new ATOM 347 N MET A 24 -8.571 -7.561 -5.319 1.00 0.00 N ATOM 348 CA MET A 24 -9.380 -6.371 -5.553 1.00 0.00 C ATOM 349 C MET A 24 -10.079 -5.976 -4.253 1.00 0.00 C ATOM 350 O MET A 24 -10.794 -6.789 -3.661 1.00 0.00 O ATOM 351 CB MET A 24 -10.423 -6.667 -6.636 1.00 0.00 C ATOM 352 CG MET A 24 -11.055 -5.428 -7.250 1.00 0.00 C ATOM 353 SD MET A 24 -12.623 -5.775 -8.077 1.00 0.00 S ATOM 354 CE MET A 24 -13.657 -6.262 -6.694 1.00 0.00 C ATOM 0 H MET A 24 -9.105 -8.430 -5.345 1.00 0.00 H new ATOM 0 HA MET A 24 -8.743 -5.551 -5.886 1.00 0.00 H new ATOM 0 HB2 MET A 24 -9.953 -7.251 -7.427 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.210 -7.287 -6.207 1.00 0.00 H new ATOM 0 HG2 MET A 24 -11.218 -4.685 -6.469 1.00 0.00 H new ATOM 0 HG3 MET A 24 -10.361 -4.990 -7.967 1.00 0.00 H new ATOM 0 HE1 MET A 24 -14.702 -6.062 -6.933 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.527 -7.327 -6.499 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.372 -5.694 -5.809 1.00 0.00 H new ATOM 364 N ALA A 25 -9.855 -4.742 -3.796 1.00 0.00 N ATOM 365 CA ALA A 25 -10.453 -4.274 -2.547 1.00 0.00 C ATOM 366 C ALA A 25 -11.341 -3.053 -2.740 1.00 0.00 C ATOM 367 O ALA A 25 -11.206 -2.314 -3.716 1.00 0.00 O ATOM 368 CB ALA A 25 -9.367 -3.955 -1.537 1.00 0.00 C ATOM 0 H ALA A 25 -9.268 -4.055 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.085 -5.082 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.823 -3.607 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.780 -4.852 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.717 -3.177 -1.936 1.00 0.00 H new ATOM 374 N VAL A 26 -12.240 -2.851 -1.774 1.00 0.00 N ATOM 375 CA VAL A 26 -13.161 -1.714 -1.787 1.00 0.00 C ATOM 376 C VAL A 26 -12.767 -0.716 -0.690 1.00 0.00 C ATOM 377 O VAL A 26 -12.465 -1.116 0.436 1.00 0.00 O ATOM 378 CB VAL A 26 -14.630 -2.169 -1.577 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.594 -0.993 -1.702 1.00 0.00 C ATOM 380 CG2 VAL A 26 -15.001 -3.262 -2.571 1.00 0.00 C ATOM 0 H VAL A 26 -12.349 -3.466 -0.967 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.092 -1.236 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.713 -2.571 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.615 -1.342 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.352 -0.242 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.505 -0.553 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.035 -3.567 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.891 -2.882 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.343 -4.120 -2.431 1.00 0.00 H new ATOM 390 N ALA A 27 -12.763 0.577 -1.035 1.00 0.00 N ATOM 391 CA ALA A 27 -12.398 1.636 -0.088 1.00 0.00 C ATOM 392 C ALA A 27 -13.545 1.970 0.863 1.00 0.00 C ATOM 393 O ALA A 27 -14.705 2.031 0.450 1.00 0.00 O ATOM 394 CB ALA A 27 -11.968 2.879 -0.842 1.00 0.00 C ATOM 0 H ALA A 27 -13.009 0.915 -1.965 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.567 1.269 0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.699 3.661 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.107 2.645 -1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.789 3.226 -1.469 1.00 0.00 H new ATOM 400 N LEU A 28 -13.205 2.184 2.140 1.00 0.00 N ATOM 401 CA LEU A 28 -14.203 2.506 3.166 1.00 0.00 C ATOM 402 C LEU A 28 -14.254 4.002 3.477 1.00 0.00 C ATOM 403 O LEU A 28 -15.264 4.487 3.993 1.00 0.00 O ATOM 404 CB LEU A 28 -13.926 1.729 4.473 1.00 0.00 C ATOM 405 CG LEU A 28 -14.236 0.212 4.482 1.00 0.00 C ATOM 406 CD1 LEU A 28 -15.674 -0.067 4.054 1.00 0.00 C ATOM 407 CD2 LEU A 28 -13.252 -0.562 3.617 1.00 0.00 C ATOM 0 H LEU A 28 -12.247 2.140 2.487 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.168 2.207 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.873 1.859 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.504 2.195 5.271 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.121 -0.134 5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.857 -1.141 4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.361 0.429 4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.833 0.311 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.499 -1.623 3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.311 -0.204 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.240 -0.414 3.995 1.00 0.00 H new ATOM 419 N GLN A 29 -13.168 4.726 3.184 1.00 0.00 N ATOM 420 CA GLN A 29 -13.113 6.167 3.460 1.00 0.00 C ATOM 421 C GLN A 29 -12.211 6.913 2.472 1.00 0.00 C ATOM 422 O GLN A 29 -11.610 6.308 1.581 1.00 0.00 O ATOM 423 CB GLN A 29 -12.637 6.419 4.897 1.00 0.00 C ATOM 424 CG GLN A 29 -11.299 5.769 5.234 1.00 0.00 C ATOM 425 CD GLN A 29 -10.760 6.133 6.618 1.00 0.00 C ATOM 426 OE1 GLN A 29 -9.754 5.577 7.058 1.00 0.00 O ATOM 427 NE2 GLN A 29 -11.406 7.074 7.312 1.00 0.00 N ATOM 0 H GLN A 29 -12.323 4.343 2.760 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.124 6.555 3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.557 7.494 5.058 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.393 6.048 5.589 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.407 4.686 5.171 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.566 6.060 4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.237 7.516 6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.068 7.350 8.234 1.00 0.00 H new ATOM 436 N ASP A 30 -12.135 8.237 2.651 1.00 0.00 N ATOM 437 CA ASP A 30 -11.321 9.104 1.796 1.00 0.00 C ATOM 438 C ASP A 30 -9.863 9.119 2.249 1.00 0.00 C ATOM 439 O ASP A 30 -9.564 8.903 3.426 1.00 0.00 O ATOM 440 CB ASP A 30 -11.877 10.531 1.809 1.00 0.00 C ATOM 441 CG ASP A 30 -13.297 10.611 1.282 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.508 10.295 0.094 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.197 10.992 2.060 1.00 0.00 O ATOM 0 H ASP A 30 -12.634 8.734 3.389 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.362 8.705 0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.850 10.918 2.828 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.234 11.173 1.207 1.00 0.00 H new ATOM 448 N TYR A 31 -8.965 9.384 1.297 1.00 0.00 N ATOM 449 CA TYR A 31 -7.530 9.442 1.564 1.00 0.00 C ATOM 450 C TYR A 31 -6.843 10.399 0.587 1.00 0.00 C ATOM 451 O TYR A 31 -6.705 10.083 -0.593 1.00 0.00 O ATOM 452 CB TYR A 31 -6.895 8.045 1.437 1.00 0.00 C ATOM 453 CG TYR A 31 -5.473 7.968 1.965 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.203 8.053 3.329 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.400 7.811 1.096 1.00 0.00 C ATOM 456 CE1 TYR A 31 -3.907 7.986 3.806 1.00 0.00 C ATOM 457 CE2 TYR A 31 -3.102 7.744 1.567 1.00 0.00 C ATOM 458 CZ TYR A 31 -2.862 7.832 2.921 1.00 0.00 C ATOM 459 OH TYR A 31 -1.570 7.765 3.393 1.00 0.00 O ATOM 0 H TYR A 31 -9.213 9.563 0.324 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.393 9.805 2.583 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.512 7.325 1.975 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.900 7.748 0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.020 8.173 4.025 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.583 7.740 0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.715 8.054 4.867 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.280 7.623 0.877 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.952 7.655 2.640 1.00 0.00 H new ATOM 469 N MET A 32 -6.403 11.554 1.080 1.00 0.00 N ATOM 470 CA MET A 32 -5.717 12.530 0.234 1.00 0.00 C ATOM 471 C MET A 32 -4.209 12.314 0.293 1.00 0.00 C ATOM 472 O MET A 32 -3.605 12.391 1.366 1.00 0.00 O ATOM 473 CB MET A 32 -6.077 13.959 0.649 1.00 0.00 C ATOM 474 CG MET A 32 -7.426 14.441 0.120 1.00 0.00 C ATOM 475 SD MET A 32 -8.839 13.469 0.695 1.00 0.00 S ATOM 476 CE MET A 32 -8.776 13.756 2.461 1.00 0.00 C ATOM 0 H MET A 32 -6.508 11.837 2.054 1.00 0.00 H new ATOM 0 HA MET A 32 -6.047 12.386 -0.795 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.083 14.019 1.737 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.298 14.635 0.297 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.569 15.480 0.416 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.405 14.420 -0.970 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.766 13.602 2.890 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.071 13.062 2.918 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.453 14.779 2.652 1.00 0.00 H new ATOM 486 N ALA A 33 -3.615 12.025 -0.868 1.00 0.00 N ATOM 487 CA ALA A 33 -2.178 11.773 -0.967 1.00 0.00 C ATOM 488 C ALA A 33 -1.356 13.061 -0.825 1.00 0.00 C ATOM 489 O ALA A 33 -1.471 13.959 -1.663 1.00 0.00 O ATOM 490 CB ALA A 33 -1.854 11.103 -2.291 1.00 0.00 C ATOM 0 H ALA A 33 -4.112 11.960 -1.756 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.907 11.112 -0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.781 10.920 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.388 10.155 -2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.160 11.752 -3.112 1.00 0.00 H new ATOM 496 N PRO A 34 -0.504 13.177 0.232 1.00 0.00 N ATOM 497 CA PRO A 34 0.329 14.364 0.443 1.00 0.00 C ATOM 498 C PRO A 34 1.534 14.389 -0.500 1.00 0.00 C ATOM 499 O PRO A 34 1.677 15.307 -1.311 1.00 0.00 O ATOM 500 CB PRO A 34 0.793 14.239 1.906 1.00 0.00 C ATOM 501 CG PRO A 34 0.067 13.060 2.467 1.00 0.00 C ATOM 502 CD PRO A 34 -0.270 12.188 1.298 1.00 0.00 C ATOM 0 HA PRO A 34 -0.219 15.285 0.243 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.872 14.096 1.963 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.561 15.144 2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.688 12.526 3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.835 13.372 2.994 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.544 11.506 1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.152 11.576 1.487 1.00 0.00 H new ATOM 510 N ASP A 35 2.397 13.374 -0.378 1.00 0.00 N ATOM 511 CA ASP A 35 3.596 13.264 -1.205 1.00 0.00 C ATOM 512 C ASP A 35 3.323 12.448 -2.473 1.00 0.00 C ATOM 513 O ASP A 35 2.308 11.752 -2.578 1.00 0.00 O ATOM 514 CB ASP A 35 4.735 12.641 -0.385 1.00 0.00 C ATOM 515 CG ASP A 35 6.103 12.794 -1.033 1.00 0.00 C ATOM 516 OD1 ASP A 35 6.410 12.028 -1.973 1.00 0.00 O ATOM 517 OD2 ASP A 35 6.865 13.684 -0.600 1.00 0.00 O ATOM 0 H ASP A 35 2.282 12.613 0.292 1.00 0.00 H new ATOM 0 HA ASP A 35 3.894 14.264 -1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.756 13.102 0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.528 11.581 -0.237 1.00 0.00 H new ATOM 522 N CYS A 36 4.254 12.557 -3.422 1.00 0.00 N ATOM 523 CA CYS A 36 4.192 11.868 -4.713 1.00 0.00 C ATOM 524 C CYS A 36 4.098 10.341 -4.584 1.00 0.00 C ATOM 525 O CYS A 36 3.438 9.695 -5.403 1.00 0.00 O ATOM 526 CB CYS A 36 5.439 12.245 -5.523 1.00 0.00 C ATOM 527 SG CYS A 36 5.658 11.327 -7.084 1.00 0.00 S ATOM 0 H CYS A 36 5.087 13.136 -3.314 1.00 0.00 H new ATOM 0 HA CYS A 36 3.279 12.188 -5.216 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.397 13.310 -5.749 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.319 12.086 -4.900 1.00 0.00 H new ATOM 532 N ARG A 37 4.780 9.761 -3.584 1.00 0.00 N ATOM 533 CA ARG A 37 4.784 8.302 -3.408 1.00 0.00 C ATOM 534 C ARG A 37 3.414 7.736 -2.989 1.00 0.00 C ATOM 535 O ARG A 37 3.182 6.534 -3.129 1.00 0.00 O ATOM 536 CB ARG A 37 5.876 7.872 -2.409 1.00 0.00 C ATOM 537 CG ARG A 37 5.529 8.089 -0.940 1.00 0.00 C ATOM 538 CD ARG A 37 5.464 6.765 -0.185 1.00 0.00 C ATOM 539 NE ARG A 37 6.771 6.109 -0.088 1.00 0.00 N ATOM 540 CZ ARG A 37 7.751 6.483 0.741 1.00 0.00 C ATOM 541 NH1 ARG A 37 7.578 7.482 1.600 1.00 0.00 N ATOM 542 NH2 ARG A 37 8.906 5.839 0.719 1.00 0.00 N ATOM 0 H ARG A 37 5.329 10.273 -2.893 1.00 0.00 H new ATOM 0 HA ARG A 37 5.009 7.878 -4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.092 6.815 -2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.790 8.420 -2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.275 8.737 -0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.570 8.602 -0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.074 6.941 0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.763 6.098 -0.687 1.00 0.00 H new ATOM 0 HE ARG A 37 6.946 5.309 -0.697 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.687 7.977 1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.337 7.754 2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.045 5.062 0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.658 6.119 1.349 1.00 0.00 H new ATOM 556 N PHE A 38 2.516 8.586 -2.473 1.00 0.00 N ATOM 557 CA PHE A 38 1.191 8.117 -2.042 1.00 0.00 C ATOM 558 C PHE A 38 0.149 8.285 -3.151 1.00 0.00 C ATOM 559 O PHE A 38 0.370 9.020 -4.117 1.00 0.00 O ATOM 560 CB PHE A 38 0.725 8.853 -0.776 1.00 0.00 C ATOM 561 CG PHE A 38 1.645 8.707 0.413 1.00 0.00 C ATOM 562 CD1 PHE A 38 1.604 7.570 1.211 1.00 0.00 C ATOM 563 CD2 PHE A 38 2.546 9.709 0.734 1.00 0.00 C ATOM 564 CE1 PHE A 38 2.444 7.440 2.301 1.00 0.00 C ATOM 565 CE2 PHE A 38 3.388 9.585 1.825 1.00 0.00 C ATOM 566 CZ PHE A 38 3.337 8.449 2.609 1.00 0.00 C ATOM 0 H PHE A 38 2.678 9.585 -2.345 1.00 0.00 H new ATOM 0 HA PHE A 38 1.288 7.055 -1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.617 9.913 -1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.263 8.485 -0.501 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.908 6.779 0.977 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.592 10.599 0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.403 6.550 2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.084 10.376 2.063 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.993 8.349 3.461 1.00 0.00 H new ATOM 576 N LEU A 39 -0.990 7.596 -2.996 1.00 0.00 N ATOM 577 CA LEU A 39 -2.083 7.655 -3.972 1.00 0.00 C ATOM 578 C LEU A 39 -3.375 8.142 -3.312 1.00 0.00 C ATOM 579 O LEU A 39 -3.658 7.794 -2.163 1.00 0.00 O ATOM 580 CB LEU A 39 -2.316 6.269 -4.594 1.00 0.00 C ATOM 581 CG LEU A 39 -2.303 6.208 -6.133 1.00 0.00 C ATOM 582 CD1 LEU A 39 -2.413 4.765 -6.600 1.00 0.00 C ATOM 583 CD2 LEU A 39 -3.430 7.037 -6.734 1.00 0.00 C ATOM 0 H LEU A 39 -1.177 6.988 -2.198 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.800 8.360 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.551 5.590 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.277 5.892 -4.243 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.357 6.628 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.403 4.733 -7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.571 4.192 -6.213 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.344 4.334 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.390 6.971 -7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.389 6.657 -6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.319 8.078 -6.429 1.00 0.00 H new ATOM 595 N THR A 40 -4.156 8.948 -4.044 1.00 0.00 N ATOM 596 CA THR A 40 -5.420 9.482 -3.528 1.00 0.00 C ATOM 597 C THR A 40 -6.581 8.539 -3.852 1.00 0.00 C ATOM 598 O THR A 40 -6.791 8.164 -5.008 1.00 0.00 O ATOM 599 CB THR A 40 -5.694 10.881 -4.104 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.592 11.739 -3.874 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.917 11.559 -3.512 1.00 0.00 C ATOM 0 H THR A 40 -3.933 9.243 -4.995 1.00 0.00 H new ATOM 0 HA THR A 40 -5.334 9.563 -2.444 1.00 0.00 H new ATOM 0 HB THR A 40 -5.868 10.717 -5.168 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.783 12.624 -4.249 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.045 12.541 -3.968 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.800 10.951 -3.707 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.785 11.673 -2.436 1.00 0.00 H new ATOM 609 N ILE A 41 -7.323 8.161 -2.809 1.00 0.00 N ATOM 610 CA ILE A 41 -8.469 7.260 -2.936 1.00 0.00 C ATOM 611 C ILE A 41 -9.726 7.897 -2.332 1.00 0.00 C ATOM 612 O ILE A 41 -9.652 8.575 -1.312 1.00 0.00 O ATOM 613 CB ILE A 41 -8.170 5.898 -2.239 1.00 0.00 C ATOM 614 CG1 ILE A 41 -7.095 5.135 -3.021 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.427 5.039 -2.119 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.435 4.018 -2.233 1.00 0.00 C ATOM 0 H ILE A 41 -7.146 8.471 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.646 7.080 -3.996 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.811 6.112 -1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.544 4.715 -3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.329 5.839 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.179 4.098 -1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.175 5.569 -1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.825 4.836 -3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.687 3.527 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.955 4.433 -1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.189 3.291 -1.930 1.00 0.00 H new ATOM 628 N HIS A 42 -10.876 7.653 -2.962 1.00 0.00 N ATOM 629 CA HIS A 42 -12.151 8.177 -2.481 1.00 0.00 C ATOM 630 C HIS A 42 -12.953 7.069 -1.810 1.00 0.00 C ATOM 631 O HIS A 42 -12.677 5.885 -2.013 1.00 0.00 O ATOM 632 CB HIS A 42 -12.957 8.785 -3.632 1.00 0.00 C ATOM 633 CG HIS A 42 -12.378 10.058 -4.165 1.00 0.00 C ATOM 634 ND1 HIS A 42 -12.241 11.200 -3.402 1.00 0.00 N ATOM 635 CD2 HIS A 42 -11.905 10.373 -5.394 1.00 0.00 C ATOM 636 CE1 HIS A 42 -11.710 12.159 -4.138 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.497 11.683 -5.350 1.00 0.00 N ATOM 0 H HIS A 42 -10.948 7.092 -3.811 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.947 8.961 -1.752 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.022 8.059 -4.442 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.975 8.974 -3.291 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.858 9.716 -6.250 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -11.488 13.162 -3.805 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -11.094 12.204 -6.129 1.00 0.00 H new ATOM 646 N ARG A 43 -13.943 7.461 -1.010 1.00 0.00 N ATOM 647 CA ARG A 43 -14.792 6.507 -0.299 1.00 0.00 C ATOM 648 C ARG A 43 -15.638 5.695 -1.282 1.00 0.00 C ATOM 649 O ARG A 43 -16.490 6.248 -1.985 1.00 0.00 O ATOM 650 CB ARG A 43 -15.695 7.253 0.692 1.00 0.00 C ATOM 651 CG ARG A 43 -16.495 6.344 1.603 1.00 0.00 C ATOM 652 CD ARG A 43 -17.355 7.143 2.564 1.00 0.00 C ATOM 653 NE ARG A 43 -18.047 6.279 3.518 1.00 0.00 N ATOM 654 CZ ARG A 43 -18.890 6.714 4.460 1.00 0.00 C ATOM 655 NH1 ARG A 43 -19.165 8.010 4.586 1.00 0.00 N ATOM 656 NH2 ARG A 43 -19.461 5.844 5.282 1.00 0.00 N ATOM 0 H ARG A 43 -14.178 8.439 -0.837 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.154 5.815 0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.079 7.912 1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.383 7.887 0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.128 5.690 1.003 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.817 5.702 2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.731 7.855 3.104 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -18.087 7.723 2.001 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.875 5.275 3.461 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.730 8.687 3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.810 8.326 5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.256 4.849 5.194 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.105 6.170 6.003 1.00 0.00 H new ATOM 670 N GLY A 44 -15.396 4.381 -1.318 1.00 0.00 N ATOM 671 CA GLY A 44 -16.143 3.505 -2.207 1.00 0.00 C ATOM 672 C GLY A 44 -15.461 3.273 -3.547 1.00 0.00 C ATOM 673 O GLY A 44 -16.070 2.698 -4.453 1.00 0.00 O ATOM 0 H GLY A 44 -14.695 3.910 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.294 2.544 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.130 3.933 -2.380 1.00 0.00 H new ATOM 677 N GLN A 45 -14.204 3.711 -3.676 1.00 0.00 N ATOM 678 CA GLN A 45 -13.456 3.535 -4.918 1.00 0.00 C ATOM 679 C GLN A 45 -12.842 2.143 -5.006 1.00 0.00 C ATOM 680 O GLN A 45 -12.385 1.590 -4.000 1.00 0.00 O ATOM 681 CB GLN A 45 -12.358 4.595 -5.050 1.00 0.00 C ATOM 682 CG GLN A 45 -12.723 5.714 -6.014 1.00 0.00 C ATOM 683 CD GLN A 45 -11.515 6.453 -6.561 1.00 0.00 C ATOM 684 OE1 GLN A 45 -10.714 7.010 -5.815 1.00 0.00 O ATOM 685 NE2 GLN A 45 -11.377 6.459 -7.881 1.00 0.00 N ATOM 0 H GLN A 45 -13.688 4.188 -2.937 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.163 3.652 -5.740 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.153 5.022 -4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.439 4.117 -5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.292 5.297 -6.845 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.375 6.424 -5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.064 5.985 -8.468 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.584 6.938 -8.309 1.00 0.00 H new ATOM 694 N VAL A 46 -12.827 1.593 -6.222 1.00 0.00 N ATOM 695 CA VAL A 46 -12.255 0.270 -6.466 1.00 0.00 C ATOM 696 C VAL A 46 -10.748 0.405 -6.630 1.00 0.00 C ATOM 697 O VAL A 46 -10.288 1.166 -7.475 1.00 0.00 O ATOM 698 CB VAL A 46 -12.838 -0.393 -7.738 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.470 -1.870 -7.788 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.348 -0.209 -7.821 1.00 0.00 C ATOM 0 H VAL A 46 -13.206 2.046 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.504 -0.362 -5.614 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.398 0.103 -8.603 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.888 -2.319 -8.689 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.385 -1.974 -7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -12.873 -2.375 -6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.724 -0.687 -8.726 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.818 -0.663 -6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.584 0.855 -7.848 1.00 0.00 H new ATOM 710 N VAL A 47 -9.985 -0.315 -5.811 1.00 0.00 N ATOM 711 CA VAL A 47 -8.527 -0.240 -5.877 1.00 0.00 C ATOM 712 C VAL A 47 -7.906 -1.620 -6.094 1.00 0.00 C ATOM 713 O VAL A 47 -8.120 -2.540 -5.301 1.00 0.00 O ATOM 714 CB VAL A 47 -7.924 0.394 -4.596 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.461 0.750 -4.810 1.00 0.00 C ATOM 716 CG2 VAL A 47 -8.710 1.626 -4.163 1.00 0.00 C ATOM 0 H VAL A 47 -10.347 -0.951 -5.100 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.290 0.397 -6.729 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.991 -0.346 -3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.057 1.193 -3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.899 -0.151 -5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.376 1.464 -5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.261 2.046 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.689 2.370 -4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.743 1.345 -3.956 1.00 0.00 H new ATOM 726 N TYR A 48 -7.125 -1.741 -7.169 1.00 0.00 N ATOM 727 CA TYR A 48 -6.443 -2.991 -7.505 1.00 0.00 C ATOM 728 C TYR A 48 -5.052 -3.014 -6.871 1.00 0.00 C ATOM 729 O TYR A 48 -4.258 -2.090 -7.077 1.00 0.00 O ATOM 730 CB TYR A 48 -6.305 -3.155 -9.032 1.00 0.00 C ATOM 731 CG TYR A 48 -7.572 -3.537 -9.798 1.00 0.00 C ATOM 732 CD1 TYR A 48 -8.835 -3.048 -9.457 1.00 0.00 C ATOM 733 CD2 TYR A 48 -7.485 -4.392 -10.892 1.00 0.00 C ATOM 734 CE1 TYR A 48 -9.959 -3.403 -10.179 1.00 0.00 C ATOM 735 CE2 TYR A 48 -8.606 -4.747 -11.619 1.00 0.00 C ATOM 736 CZ TYR A 48 -9.839 -4.250 -11.258 1.00 0.00 C ATOM 737 OH TYR A 48 -10.957 -4.604 -11.979 1.00 0.00 O ATOM 0 H TYR A 48 -6.949 -0.981 -7.826 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.042 -3.815 -7.116 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.929 -2.218 -9.442 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.548 -3.915 -9.226 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.935 -2.380 -8.614 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.522 -4.787 -11.179 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.928 -3.017 -9.898 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.515 -5.411 -12.466 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.481 -3.802 -12.186 1.00 0.00 H new ATOM 747 N VAL A 49 -4.764 -4.066 -6.102 1.00 0.00 N ATOM 748 CA VAL A 49 -3.465 -4.202 -5.442 1.00 0.00 C ATOM 749 C VAL A 49 -2.485 -4.961 -6.338 1.00 0.00 C ATOM 750 O VAL A 49 -2.766 -6.082 -6.763 1.00 0.00 O ATOM 751 CB VAL A 49 -3.594 -4.926 -4.077 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.257 -4.966 -3.345 1.00 0.00 C ATOM 753 CG2 VAL A 49 -4.652 -4.254 -3.214 1.00 0.00 C ATOM 0 H VAL A 49 -5.411 -4.834 -5.922 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.084 -3.197 -5.261 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.902 -5.953 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.379 -5.480 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.525 -5.498 -3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.909 -3.948 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.729 -4.776 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.372 -3.215 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.614 -4.289 -3.725 1.00 0.00 H new ATOM 763 N PHE A 50 -1.339 -4.335 -6.624 1.00 0.00 N ATOM 764 CA PHE A 50 -0.316 -4.942 -7.475 1.00 0.00 C ATOM 765 C PHE A 50 0.887 -5.427 -6.663 1.00 0.00 C ATOM 766 O PHE A 50 1.648 -6.277 -7.135 1.00 0.00 O ATOM 767 CB PHE A 50 0.153 -3.956 -8.557 1.00 0.00 C ATOM 768 CG PHE A 50 -0.840 -3.739 -9.673 1.00 0.00 C ATOM 769 CD1 PHE A 50 -1.955 -2.931 -9.497 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.653 -4.350 -10.905 1.00 0.00 C ATOM 771 CE1 PHE A 50 -2.859 -2.739 -10.524 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.555 -4.159 -11.935 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.659 -3.353 -11.744 1.00 0.00 C ATOM 0 H PHE A 50 -1.098 -3.407 -6.277 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.775 -5.808 -7.953 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.370 -2.996 -8.088 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.087 -4.321 -8.984 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.118 -2.447 -8.546 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.208 -4.983 -11.061 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.722 -2.108 -10.372 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.396 -4.640 -12.889 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.365 -3.203 -12.547 1.00 0.00 H new ATOM 783 N SER A 51 1.058 -4.889 -5.448 1.00 0.00 N ATOM 784 CA SER A 51 2.178 -5.280 -4.584 1.00 0.00 C ATOM 785 C SER A 51 1.901 -4.982 -3.114 1.00 0.00 C ATOM 786 O SER A 51 1.367 -3.926 -2.779 1.00 0.00 O ATOM 787 CB SER A 51 3.462 -4.564 -5.009 1.00 0.00 C ATOM 788 OG SER A 51 3.302 -3.157 -4.972 1.00 0.00 O ATOM 0 H SER A 51 0.439 -4.186 -5.044 1.00 0.00 H new ATOM 0 HA SER A 51 2.301 -6.357 -4.697 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.280 -4.857 -4.350 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.738 -4.875 -6.017 1.00 0.00 H new ATOM 0 HG SER A 51 4.138 -2.725 -5.246 1.00 0.00 H new ATOM 794 N LYS A 52 2.291 -5.918 -2.243 1.00 0.00 N ATOM 795 CA LYS A 52 2.110 -5.759 -0.795 1.00 0.00 C ATOM 796 C LYS A 52 3.475 -5.713 -0.109 1.00 0.00 C ATOM 797 O LYS A 52 4.193 -6.714 -0.081 1.00 0.00 O ATOM 798 CB LYS A 52 1.267 -6.907 -0.221 1.00 0.00 C ATOM 799 CG LYS A 52 0.000 -7.187 -1.013 1.00 0.00 C ATOM 800 CD LYS A 52 -0.741 -8.401 -0.477 1.00 0.00 C ATOM 801 CE LYS A 52 -1.992 -8.694 -1.289 1.00 0.00 C ATOM 802 NZ LYS A 52 -2.721 -9.887 -0.776 1.00 0.00 N ATOM 0 H LYS A 52 2.735 -6.795 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 52 1.581 -4.824 -0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.874 -7.812 -0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.997 -6.669 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.653 -6.315 -0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.254 -7.349 -2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.082 -9.269 -0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.014 -8.231 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.652 -7.827 -1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.718 -8.857 -2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.568 -10.053 -1.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.100 -10.720 -0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.005 -9.722 0.211 1.00 0.00 H new ATOM 816 N LEU A 53 3.841 -4.541 0.424 1.00 0.00 N ATOM 817 CA LEU A 53 5.142 -4.366 1.079 1.00 0.00 C ATOM 818 C LEU A 53 5.196 -5.052 2.441 1.00 0.00 C ATOM 819 O LEU A 53 4.201 -5.095 3.165 1.00 0.00 O ATOM 820 CB LEU A 53 5.459 -2.873 1.245 1.00 0.00 C ATOM 821 CG LEU A 53 5.383 -2.026 -0.035 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.464 -0.546 0.311 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.483 -2.408 -1.020 1.00 0.00 C ATOM 0 H LEU A 53 3.258 -3.704 0.415 1.00 0.00 H new ATOM 0 HA LEU A 53 5.889 -4.833 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.769 -2.454 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.462 -2.778 1.662 1.00 0.00 H new ATOM 0 HG LEU A 53 4.426 -2.224 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.409 0.045 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.634 -0.279 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.407 -0.342 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.401 -1.790 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.457 -2.249 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.378 -3.458 -1.293 1.00 0.00 H new ATOM 835 N LYS A 54 6.381 -5.578 2.778 1.00 0.00 N ATOM 836 CA LYS A 54 6.610 -6.260 4.058 1.00 0.00 C ATOM 837 C LYS A 54 7.906 -5.768 4.703 1.00 0.00 C ATOM 838 O LYS A 54 8.653 -4.997 4.097 1.00 0.00 O ATOM 839 CB LYS A 54 6.686 -7.781 3.872 1.00 0.00 C ATOM 840 CG LYS A 54 5.401 -8.421 3.367 1.00 0.00 C ATOM 841 CD LYS A 54 5.457 -9.944 3.457 1.00 0.00 C ATOM 842 CE LYS A 54 6.457 -10.549 2.476 1.00 0.00 C ATOM 843 NZ LYS A 54 6.499 -12.034 2.570 1.00 0.00 N ATOM 0 H LYS A 54 7.203 -5.543 2.175 1.00 0.00 H new ATOM 0 HA LYS A 54 5.767 -6.027 4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.490 -8.009 3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.954 -8.238 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.557 -8.053 3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.228 -8.123 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.726 -10.235 4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.466 -10.353 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.191 -10.257 1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.450 -10.145 2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.178 -12.407 1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.794 -12.313 3.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.554 -12.421 2.373 1.00 0.00 H new ATOM 857 N GLY A 55 8.167 -6.232 5.929 1.00 0.00 N ATOM 858 CA GLY A 55 9.378 -5.847 6.639 1.00 0.00 C ATOM 859 C GLY A 55 9.185 -4.632 7.524 1.00 0.00 C ATOM 860 O GLY A 55 8.593 -4.729 8.601 1.00 0.00 O ATOM 0 H GLY A 55 7.558 -6.869 6.442 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.716 -6.684 7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.167 -5.641 5.915 1.00 0.00 H new ATOM 864 N ARG A 56 9.695 -3.486 7.065 1.00 0.00 N ATOM 865 CA ARG A 56 9.593 -2.230 7.811 1.00 0.00 C ATOM 866 C ARG A 56 8.184 -1.645 7.720 1.00 0.00 C ATOM 867 O ARG A 56 7.793 -0.819 8.549 1.00 0.00 O ATOM 868 CB ARG A 56 10.611 -1.210 7.280 1.00 0.00 C ATOM 869 CG ARG A 56 12.065 -1.679 7.337 1.00 0.00 C ATOM 870 CD ARG A 56 12.583 -1.793 8.769 1.00 0.00 C ATOM 871 NE ARG A 56 12.580 -0.505 9.476 1.00 0.00 N ATOM 872 CZ ARG A 56 13.417 0.510 9.220 1.00 0.00 C ATOM 873 NH1 ARG A 56 14.370 0.402 8.296 1.00 0.00 N ATOM 874 NH2 ARG A 56 13.305 1.641 9.904 1.00 0.00 N ATOM 0 H ARG A 56 10.186 -3.403 6.175 1.00 0.00 H new ATOM 0 HA ARG A 56 9.810 -2.446 8.857 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.360 -0.969 6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.517 -0.288 7.854 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.151 -2.647 6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.691 -0.981 6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.968 -2.506 9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.597 -2.192 8.754 1.00 0.00 H new ATOM 0 HE ARG A 56 11.890 -0.374 10.216 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.473 -0.465 7.768 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.997 1.186 8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.585 1.735 10.620 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.939 2.417 9.714 1.00 0.00 H new ATOM 888 N GLY A 57 7.431 -2.085 6.711 1.00 0.00 N ATOM 889 CA GLY A 57 6.074 -1.609 6.516 1.00 0.00 C ATOM 890 C GLY A 57 5.166 -2.690 5.968 1.00 0.00 C ATOM 891 O GLY A 57 4.729 -2.616 4.817 1.00 0.00 O ATOM 0 H GLY A 57 7.743 -2.769 6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.677 -1.249 7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.082 -0.761 5.831 1.00 0.00 H new ATOM 895 N ARG A 58 4.888 -3.698 6.800 1.00 0.00 N ATOM 896 CA ARG A 58 4.028 -4.818 6.410 1.00 0.00 C ATOM 897 C ARG A 58 2.552 -4.410 6.338 1.00 0.00 C ATOM 898 O ARG A 58 1.704 -5.201 5.914 1.00 0.00 O ATOM 899 CB ARG A 58 4.227 -6.009 7.367 1.00 0.00 C ATOM 900 CG ARG A 58 3.945 -5.706 8.832 1.00 0.00 C ATOM 901 CD ARG A 58 2.574 -6.211 9.265 1.00 0.00 C ATOM 902 NE ARG A 58 2.465 -7.668 9.169 1.00 0.00 N ATOM 903 CZ ARG A 58 1.370 -8.365 9.486 1.00 0.00 C ATOM 904 NH1 ARG A 58 0.272 -7.754 9.924 1.00 0.00 N ATOM 905 NH2 ARG A 58 1.374 -9.686 9.364 1.00 0.00 N ATOM 0 H ARG A 58 5.248 -3.761 7.752 1.00 0.00 H new ATOM 0 HA ARG A 58 4.322 -5.126 5.407 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.579 -6.825 7.048 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.254 -6.363 7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.714 -6.167 9.452 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.004 -4.630 8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.382 -5.901 10.292 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.806 -5.749 8.644 1.00 0.00 H new ATOM 0 HE ARG A 58 3.279 -8.185 8.838 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.258 -6.739 10.022 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.556 -8.301 10.162 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.210 -10.165 9.030 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.541 -10.223 9.605 1.00 0.00 H new ATOM 919 N LEU A 59 2.256 -3.171 6.739 1.00 0.00 N ATOM 920 CA LEU A 59 0.891 -2.651 6.708 1.00 0.00 C ATOM 921 C LEU A 59 0.684 -1.757 5.487 1.00 0.00 C ATOM 922 O LEU A 59 -0.435 -1.311 5.216 1.00 0.00 O ATOM 923 CB LEU A 59 0.572 -1.854 7.985 1.00 0.00 C ATOM 924 CG LEU A 59 0.703 -2.623 9.307 1.00 0.00 C ATOM 925 CD1 LEU A 59 2.117 -2.503 9.863 1.00 0.00 C ATOM 926 CD2 LEU A 59 -0.300 -2.098 10.323 1.00 0.00 C ATOM 0 H LEU A 59 2.948 -2.509 7.090 1.00 0.00 H new ATOM 0 HA LEU A 59 0.216 -3.504 6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.233 -0.988 8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.447 -1.474 7.908 1.00 0.00 H new ATOM 0 HG LEU A 59 0.495 -3.675 9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.188 -3.055 10.800 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.826 -2.914 9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.350 -1.453 10.042 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.197 -2.652 11.256 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.112 -1.040 10.506 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.311 -2.225 9.936 1.00 0.00 H new ATOM 938 N PHE A 60 1.776 -1.491 4.759 1.00 0.00 N ATOM 939 CA PHE A 60 1.722 -0.639 3.572 1.00 0.00 C ATOM 940 C PHE A 60 1.617 -1.460 2.290 1.00 0.00 C ATOM 941 O PHE A 60 2.411 -2.376 2.045 1.00 0.00 O ATOM 942 CB PHE A 60 2.948 0.284 3.507 1.00 0.00 C ATOM 943 CG PHE A 60 2.957 1.379 4.547 1.00 0.00 C ATOM 944 CD1 PHE A 60 3.317 1.116 5.863 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.612 2.676 4.200 1.00 0.00 C ATOM 946 CE1 PHE A 60 3.329 2.124 6.808 1.00 0.00 C ATOM 947 CE2 PHE A 60 2.623 3.687 5.142 1.00 0.00 C ATOM 948 CZ PHE A 60 2.982 3.411 6.447 1.00 0.00 C ATOM 0 H PHE A 60 2.705 -1.854 4.974 1.00 0.00 H new ATOM 0 HA PHE A 60 0.823 -0.029 3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.849 -0.319 3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.994 0.738 2.517 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.591 0.112 6.151 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.331 2.899 3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.609 1.906 7.828 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.351 4.693 4.858 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.991 4.201 7.184 1.00 0.00 H new ATOM 958 N TRP A 61 0.628 -1.108 1.473 1.00 0.00 N ATOM 959 CA TRP A 61 0.384 -1.777 0.200 1.00 0.00 C ATOM 960 C TRP A 61 0.608 -0.806 -0.956 1.00 0.00 C ATOM 961 O TRP A 61 0.966 0.354 -0.735 1.00 0.00 O ATOM 962 CB TRP A 61 -1.047 -2.344 0.165 1.00 0.00 C ATOM 963 CG TRP A 61 -1.247 -3.630 0.941 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.312 -4.337 1.656 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.477 -4.354 1.086 1.00 0.00 C ATOM 966 NE1 TRP A 61 -0.881 -5.454 2.209 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.208 -5.485 1.882 1.00 0.00 C ATOM 968 CE3 TRP A 61 -3.780 -4.161 0.617 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.190 -6.411 2.220 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -4.751 -5.080 0.954 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.452 -6.194 1.749 1.00 0.00 C ATOM 0 H TRP A 61 -0.026 -0.352 1.675 1.00 0.00 H new ATOM 0 HA TRP A 61 1.085 -2.605 0.095 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.730 -1.591 0.558 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.327 -2.517 -0.874 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.724 -4.053 1.767 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.393 -6.150 2.773 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.022 -3.307 0.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.962 -7.270 2.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.761 -4.938 0.598 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.236 -6.895 1.994 1.00 0.00 H new ATOM 982 N GLY A 62 0.404 -1.284 -2.184 1.00 0.00 N ATOM 983 CA GLY A 62 0.597 -0.445 -3.354 1.00 0.00 C ATOM 984 C GLY A 62 -0.096 -0.990 -4.584 1.00 0.00 C ATOM 985 O GLY A 62 -0.362 -2.192 -4.673 1.00 0.00 O ATOM 0 H GLY A 62 0.108 -2.239 -2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.221 0.556 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.664 -0.349 -3.555 1.00 0.00 H new ATOM 989 N GLY A 63 -0.385 -0.098 -5.531 1.00 0.00 N ATOM 990 CA GLY A 63 -1.048 -0.487 -6.761 1.00 0.00 C ATOM 991 C GLY A 63 -1.629 0.700 -7.504 1.00 0.00 C ATOM 992 O GLY A 63 -1.052 1.793 -7.487 1.00 0.00 O ATOM 0 H GLY A 63 -0.168 0.896 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.337 -1.004 -7.406 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.845 -1.195 -6.533 1.00 0.00 H new ATOM 996 N SER A 64 -2.773 0.481 -8.153 1.00 0.00 N ATOM 997 CA SER A 64 -3.452 1.532 -8.909 1.00 0.00 C ATOM 998 C SER A 64 -4.935 1.564 -8.561 1.00 0.00 C ATOM 999 O SER A 64 -5.506 0.543 -8.176 1.00 0.00 O ATOM 1000 CB SER A 64 -3.269 1.308 -10.413 1.00 0.00 C ATOM 1001 OG SER A 64 -3.905 2.328 -11.162 1.00 0.00 O ATOM 0 H SER A 64 -3.250 -0.420 -8.170 1.00 0.00 H new ATOM 0 HA SER A 64 -3.010 2.491 -8.640 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.206 1.285 -10.654 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.680 0.338 -10.692 1.00 0.00 H new ATOM 0 HG SER A 64 -4.336 1.935 -11.949 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.551 2.741 -8.691 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.969 2.900 -8.380 1.00 0.00 C ATOM 1009 C VAL A 65 -7.819 3.012 -9.655 1.00 0.00 C ATOM 1010 O VAL A 65 -7.539 3.821 -10.544 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.213 4.118 -7.436 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -6.708 5.421 -8.052 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -8.685 4.233 -7.056 1.00 0.00 C ATOM 0 H VAL A 65 -5.090 3.594 -9.008 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.285 2.001 -7.851 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.640 3.941 -6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.896 6.245 -7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.637 5.343 -8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.230 5.606 -8.991 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.825 5.090 -6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.284 4.366 -7.957 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.000 3.325 -6.541 1.00 0.00 H new ATOM 1023 N GLN A 66 -8.859 2.180 -9.722 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.773 2.157 -10.861 1.00 0.00 C ATOM 1025 C GLN A 66 -11.046 2.942 -10.534 1.00 0.00 C ATOM 1026 O GLN A 66 -11.481 2.979 -9.381 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.125 0.708 -11.223 1.00 0.00 C ATOM 1028 CG GLN A 66 -10.881 0.570 -12.537 1.00 0.00 C ATOM 1029 CD GLN A 66 -11.207 -0.870 -12.884 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -11.933 -1.548 -12.157 1.00 0.00 O ATOM 1031 NE2 GLN A 66 -10.671 -1.344 -14.002 1.00 0.00 N ATOM 0 H GLN A 66 -9.090 1.507 -8.991 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.283 2.625 -11.714 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.206 0.124 -11.280 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.726 0.279 -10.422 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.807 1.143 -12.479 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.286 1.006 -13.340 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.075 -0.747 -14.575 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.855 -2.306 -14.288 1.00 0.00 H new ATOM 1040 N GLY A 67 -11.633 3.563 -11.558 1.00 0.00 N ATOM 1041 CA GLY A 67 -12.849 4.338 -11.373 1.00 0.00 C ATOM 1042 C GLY A 67 -13.094 5.297 -12.519 1.00 0.00 C ATOM 1043 O GLY A 67 -14.189 5.332 -13.086 1.00 0.00 O ATOM 0 H GLY A 67 -11.285 3.542 -12.516 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.699 3.662 -11.279 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.783 4.898 -10.440 1.00 0.00 H new ATOM 1047 N ASP A 68 -12.063 6.070 -12.858 1.00 0.00 N ATOM 1048 CA ASP A 68 -12.142 7.041 -13.946 1.00 0.00 C ATOM 1049 C ASP A 68 -11.028 6.796 -14.957 1.00 0.00 C ATOM 1050 O ASP A 68 -9.858 6.696 -14.585 1.00 0.00 O ATOM 1051 CB ASP A 68 -12.048 8.473 -13.403 1.00 0.00 C ATOM 1052 CG ASP A 68 -13.204 8.838 -12.489 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -13.318 8.239 -11.398 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -13.999 9.726 -12.865 1.00 0.00 O ATOM 0 H ASP A 68 -11.157 6.041 -12.390 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.105 6.918 -14.442 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.111 8.588 -12.858 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.019 9.172 -14.239 1.00 0.00 H new ATOM 1059 N TYR A 69 -11.400 6.700 -16.235 1.00 0.00 N ATOM 1060 CA TYR A 69 -10.431 6.464 -17.305 1.00 0.00 C ATOM 1061 C TYR A 69 -10.707 7.389 -18.494 1.00 0.00 C ATOM 1062 O TYR A 69 -11.480 7.052 -19.397 1.00 0.00 O ATOM 1063 CB TYR A 69 -10.466 4.985 -17.738 1.00 0.00 C ATOM 1064 CG TYR A 69 -9.373 4.578 -18.715 1.00 0.00 C ATOM 1065 CD1 TYR A 69 -8.027 4.646 -18.363 1.00 0.00 C ATOM 1066 CD2 TYR A 69 -9.692 4.115 -19.985 1.00 0.00 C ATOM 1067 CE1 TYR A 69 -7.036 4.268 -19.250 1.00 0.00 C ATOM 1068 CE2 TYR A 69 -8.707 3.733 -20.876 1.00 0.00 C ATOM 1069 CZ TYR A 69 -7.381 3.812 -20.504 1.00 0.00 C ATOM 1070 OH TYR A 69 -6.398 3.434 -21.389 1.00 0.00 O ATOM 0 H TYR A 69 -12.366 6.782 -16.553 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.433 6.688 -16.929 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.390 4.359 -16.849 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -11.435 4.777 -18.192 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.753 5.000 -17.380 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.729 4.052 -20.282 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.997 4.330 -18.962 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.974 3.374 -21.859 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.809 3.136 -22.227 1.00 0.00 H new ATOM 1080 N TYR A 70 -10.069 8.561 -18.477 1.00 0.00 N ATOM 1081 CA TYR A 70 -10.230 9.551 -19.544 1.00 0.00 C ATOM 1082 C TYR A 70 -8.890 9.866 -20.203 1.00 0.00 C ATOM 1083 O TYR A 70 -8.845 10.461 -21.283 1.00 0.00 O ATOM 1084 CB TYR A 70 -10.861 10.846 -19.005 1.00 0.00 C ATOM 1085 CG TYR A 70 -12.320 10.721 -18.600 1.00 0.00 C ATOM 1086 CD1 TYR A 70 -12.690 10.146 -17.386 1.00 0.00 C ATOM 1087 CD2 TYR A 70 -13.329 11.195 -19.431 1.00 0.00 C ATOM 1088 CE1 TYR A 70 -14.019 10.046 -17.019 1.00 0.00 C ATOM 1089 CE2 TYR A 70 -14.659 11.099 -19.068 1.00 0.00 C ATOM 1090 CZ TYR A 70 -14.998 10.522 -17.863 1.00 0.00 C ATOM 1091 OH TYR A 70 -16.322 10.425 -17.499 1.00 0.00 O ATOM 0 H TYR A 70 -9.433 8.849 -17.733 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.897 9.121 -20.291 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.286 11.182 -18.142 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -10.775 11.621 -19.767 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.926 9.772 -16.721 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.069 11.646 -20.377 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.289 9.597 -16.075 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.429 11.474 -19.725 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.884 10.808 -18.204 1.00 0.00 H new ATOM 1101 N GLY A 71 -7.805 9.461 -19.543 1.00 0.00 N ATOM 1102 CA GLY A 71 -6.470 9.699 -20.065 1.00 0.00 C ATOM 1103 C GLY A 71 -5.432 8.787 -19.440 1.00 0.00 C ATOM 1104 O GLY A 71 -5.458 7.572 -19.653 1.00 0.00 O ATOM 0 H GLY A 71 -7.829 8.969 -18.650 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.474 9.553 -21.145 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.192 10.738 -19.885 1.00 0.00 H new ATOM 1108 N ASP A 72 -4.520 9.379 -18.667 1.00 0.00 N ATOM 1109 CA ASP A 72 -3.459 8.624 -18.001 1.00 0.00 C ATOM 1110 C ASP A 72 -3.520 8.823 -16.488 1.00 0.00 C ATOM 1111 O ASP A 72 -3.296 9.930 -15.989 1.00 0.00 O ATOM 1112 CB ASP A 72 -2.082 9.045 -18.528 1.00 0.00 C ATOM 1113 CG ASP A 72 -1.889 8.729 -20.002 1.00 0.00 C ATOM 1114 OD1 ASP A 72 -2.608 9.315 -20.838 1.00 0.00 O ATOM 1115 OD2 ASP A 72 -1.015 7.895 -20.318 1.00 0.00 O ATOM 0 H ASP A 72 -4.496 10.383 -18.487 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.611 7.567 -18.221 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.951 10.116 -18.371 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.308 8.541 -17.949 1.00 0.00 H new ATOM 1120 N LEU A 73 -3.822 7.740 -15.766 1.00 0.00 N ATOM 1121 CA LEU A 73 -3.914 7.780 -14.305 1.00 0.00 C ATOM 1122 C LEU A 73 -3.541 6.431 -13.691 1.00 0.00 C ATOM 1123 O LEU A 73 -3.121 6.366 -12.532 1.00 0.00 O ATOM 1124 CB LEU A 73 -5.323 8.265 -13.831 1.00 0.00 C ATOM 1125 CG LEU A 73 -6.585 7.384 -14.106 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -6.666 6.902 -15.552 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -6.680 6.212 -13.134 1.00 0.00 C ATOM 0 H LEU A 73 -4.007 6.823 -16.172 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.189 8.512 -13.948 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.266 8.423 -12.754 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.501 9.239 -14.287 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.446 8.032 -13.939 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.562 6.295 -15.684 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.709 7.762 -16.220 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.785 6.304 -15.786 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.570 5.624 -13.358 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.795 5.583 -13.235 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.742 6.590 -12.113 1.00 0.00 H new ATOM 1139 N ALA A 74 -3.697 5.358 -14.473 1.00 0.00 N ATOM 1140 CA ALA A 74 -3.374 4.010 -14.006 1.00 0.00 C ATOM 1141 C ALA A 74 -1.964 3.599 -14.426 1.00 0.00 C ATOM 1142 O ALA A 74 -1.491 2.521 -14.057 1.00 0.00 O ATOM 1143 CB ALA A 74 -4.396 3.006 -14.521 1.00 0.00 C ATOM 0 H ALA A 74 -4.045 5.399 -15.431 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.410 4.018 -12.917 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.139 2.009 -14.163 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.387 3.277 -14.158 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.394 3.012 -15.611 1.00 0.00 H new ATOM 1149 N ALA A 75 -1.295 4.470 -15.190 1.00 0.00 N ATOM 1150 CA ALA A 75 0.066 4.208 -15.656 1.00 0.00 C ATOM 1151 C ALA A 75 1.059 4.306 -14.502 1.00 0.00 C ATOM 1152 O ALA A 75 2.005 3.520 -14.417 1.00 0.00 O ATOM 1153 CB ALA A 75 0.444 5.178 -16.764 1.00 0.00 C ATOM 0 H ALA A 75 -1.678 5.364 -15.498 1.00 0.00 H new ATOM 0 HA ALA A 75 0.102 3.194 -16.054 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.460 4.969 -17.099 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.245 5.062 -17.600 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.389 6.200 -16.388 1.00 0.00 H new ATOM 1159 N ARG A 76 0.822 5.273 -13.612 1.00 0.00 N ATOM 1160 CA ARG A 76 1.678 5.479 -12.448 1.00 0.00 C ATOM 1161 C ARG A 76 1.182 4.644 -11.268 1.00 0.00 C ATOM 1162 O ARG A 76 -0.012 4.348 -11.168 1.00 0.00 O ATOM 1163 CB ARG A 76 1.735 6.968 -12.071 1.00 0.00 C ATOM 1164 CG ARG A 76 0.375 7.598 -11.792 1.00 0.00 C ATOM 1165 CD ARG A 76 0.503 9.074 -11.444 1.00 0.00 C ATOM 1166 NE ARG A 76 1.272 9.287 -10.215 1.00 0.00 N ATOM 1167 CZ ARG A 76 1.538 10.488 -9.691 1.00 0.00 C ATOM 1168 NH1 ARG A 76 1.103 11.602 -10.277 1.00 0.00 N ATOM 1169 NH2 ARG A 76 2.244 10.575 -8.573 1.00 0.00 N ATOM 0 H ARG A 76 0.041 5.926 -13.679 1.00 0.00 H new ATOM 0 HA ARG A 76 2.687 5.154 -12.702 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.364 7.083 -11.188 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.218 7.517 -12.880 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.266 7.484 -12.666 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.110 7.070 -10.970 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.985 9.600 -12.268 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.491 9.506 -11.328 1.00 0.00 H new ATOM 0 HE ARG A 76 1.628 8.465 -9.727 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.559 11.546 -11.138 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.314 12.511 -9.865 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.582 9.728 -8.116 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.450 11.489 -8.169 1.00 0.00 H new ATOM 1183 N LEU A 77 2.107 4.259 -10.390 1.00 0.00 N ATOM 1184 CA LEU A 77 1.769 3.448 -9.223 1.00 0.00 C ATOM 1185 C LEU A 77 2.035 4.202 -7.925 1.00 0.00 C ATOM 1186 O LEU A 77 3.088 4.824 -7.759 1.00 0.00 O ATOM 1187 CB LEU A 77 2.557 2.132 -9.245 1.00 0.00 C ATOM 1188 CG LEU A 77 2.179 1.162 -10.374 1.00 0.00 C ATOM 1189 CD1 LEU A 77 3.221 0.064 -10.507 1.00 0.00 C ATOM 1190 CD2 LEU A 77 0.806 0.550 -10.122 1.00 0.00 C ATOM 0 H LEU A 77 3.096 4.496 -10.465 1.00 0.00 H new ATOM 0 HA LEU A 77 0.703 3.225 -9.267 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.619 2.364 -9.328 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.415 1.626 -8.290 1.00 0.00 H new ATOM 0 HG LEU A 77 2.143 1.726 -11.306 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.935 -0.613 -11.312 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.191 0.508 -10.733 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.286 -0.492 -9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.558 -0.134 -10.934 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.819 0.004 -9.179 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.058 1.342 -10.073 1.00 0.00 H new ATOM 1202 N GLY A 78 1.068 4.133 -7.009 1.00 0.00 N ATOM 1203 CA GLY A 78 1.189 4.800 -5.723 1.00 0.00 C ATOM 1204 C GLY A 78 1.052 3.831 -4.566 1.00 0.00 C ATOM 1205 O GLY A 78 0.833 2.638 -4.782 1.00 0.00 O ATOM 0 H GLY A 78 0.195 3.621 -7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.155 5.301 -5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.424 5.572 -5.642 1.00 0.00 H new ATOM 1209 N TYR A 79 1.178 4.339 -3.338 1.00 0.00 N ATOM 1210 CA TYR A 79 1.061 3.498 -2.147 1.00 0.00 C ATOM 1211 C TYR A 79 -0.096 3.959 -1.265 1.00 0.00 C ATOM 1212 O TYR A 79 -0.418 5.149 -1.217 1.00 0.00 O ATOM 1213 CB TYR A 79 2.377 3.490 -1.352 1.00 0.00 C ATOM 1214 CG TYR A 79 3.582 2.997 -2.142 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.567 1.767 -2.798 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.733 3.768 -2.231 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.662 1.327 -3.517 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.832 3.335 -2.946 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.791 2.114 -3.588 1.00 0.00 C ATOM 1220 OH TYR A 79 6.883 1.677 -4.301 1.00 0.00 O ATOM 0 H TYR A 79 1.360 5.324 -3.144 1.00 0.00 H new ATOM 0 HA TYR A 79 0.853 2.479 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.579 4.500 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.252 2.860 -0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.684 1.147 -2.743 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.770 4.725 -1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.633 0.372 -4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.719 3.949 -3.003 1.00 0.00 H new ATOM 0 HH TYR A 79 7.324 2.442 -4.726 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.726 2.996 -0.588 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.870 3.271 0.284 1.00 0.00 C ATOM 1232 C PHE A 80 -1.893 2.306 1.484 1.00 0.00 C ATOM 1233 O PHE A 80 -1.388 1.187 1.375 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.181 3.170 -0.530 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.367 1.866 -1.279 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -3.950 0.763 -0.666 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -2.949 1.746 -2.598 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.109 -0.425 -1.350 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.108 0.560 -3.285 1.00 0.00 C ATOM 1240 CZ PHE A 80 -3.688 -0.527 -2.661 1.00 0.00 C ATOM 0 H PHE A 80 -0.460 2.012 -0.628 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.776 4.283 0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.024 3.307 0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.211 3.991 -1.246 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.283 0.837 0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.494 2.592 -3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.562 -1.274 -0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -2.779 0.482 -4.311 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.812 -1.456 -3.198 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.478 2.708 2.651 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.546 1.845 3.836 1.00 0.00 C ATOM 1252 C PRO A 81 -3.633 0.781 3.707 1.00 0.00 C ATOM 1253 O PRO A 81 -4.740 1.067 3.250 1.00 0.00 O ATOM 1254 CB PRO A 81 -2.881 2.813 4.986 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.852 4.185 4.391 1.00 0.00 C ATOM 1256 CD PRO A 81 -3.113 4.009 2.925 1.00 0.00 C ATOM 0 HA PRO A 81 -1.616 1.298 3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.861 2.592 5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.156 2.723 5.795 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.608 4.824 4.847 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.887 4.663 4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.179 3.997 2.700 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.671 4.811 2.333 1.00 0.00 H new ATOM 1264 N SER A 82 -3.309 -0.447 4.113 1.00 0.00 N ATOM 1265 CA SER A 82 -4.254 -1.566 4.044 1.00 0.00 C ATOM 1266 C SER A 82 -5.454 -1.348 4.975 1.00 0.00 C ATOM 1267 O SER A 82 -6.505 -1.973 4.805 1.00 0.00 O ATOM 1268 CB SER A 82 -3.539 -2.872 4.405 1.00 0.00 C ATOM 1269 OG SER A 82 -3.078 -2.848 5.745 1.00 0.00 O ATOM 0 H SER A 82 -2.396 -0.694 4.495 1.00 0.00 H new ATOM 0 HA SER A 82 -4.632 -1.627 3.023 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.219 -3.713 4.266 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.697 -3.028 3.730 1.00 0.00 H new ATOM 0 HG SER A 82 -2.223 -2.371 5.788 1.00 0.00 H new ATOM 1275 N SER A 83 -5.278 -0.460 5.957 1.00 0.00 N ATOM 1276 CA SER A 83 -6.320 -0.147 6.936 1.00 0.00 C ATOM 1277 C SER A 83 -7.537 0.549 6.313 1.00 0.00 C ATOM 1278 O SER A 83 -8.626 0.509 6.892 1.00 0.00 O ATOM 1279 CB SER A 83 -5.737 0.729 8.048 1.00 0.00 C ATOM 1280 OG SER A 83 -6.709 1.017 9.039 1.00 0.00 O ATOM 0 H SER A 83 -4.412 0.060 6.095 1.00 0.00 H new ATOM 0 HA SER A 83 -6.670 -1.096 7.343 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.887 0.222 8.505 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.362 1.660 7.622 1.00 0.00 H new ATOM 0 HG SER A 83 -6.309 1.576 9.737 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.364 1.190 5.148 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.485 1.887 4.503 1.00 0.00 C ATOM 1288 C ILE A 84 -9.184 1.026 3.445 1.00 0.00 C ATOM 1289 O ILE A 84 -10.156 1.475 2.826 1.00 0.00 O ATOM 1290 CB ILE A 84 -8.066 3.238 3.871 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -7.039 3.044 2.754 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.517 4.171 4.943 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.981 4.204 1.791 1.00 0.00 C ATOM 0 H ILE A 84 -6.479 1.240 4.643 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.191 2.088 5.309 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.953 3.688 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.054 2.898 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.279 2.135 2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.226 5.117 4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.284 4.352 5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.648 3.712 5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.233 4.003 1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.956 4.336 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.712 5.112 2.331 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.695 -0.204 3.233 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.300 -1.093 2.236 1.00 0.00 C ATOM 1307 C VAL A 85 -9.775 -2.412 2.850 1.00 0.00 C ATOM 1308 O VAL A 85 -9.266 -2.849 3.886 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.329 -1.395 1.061 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -7.929 -0.114 0.345 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -7.093 -2.154 1.533 1.00 0.00 C ATOM 0 H VAL A 85 -7.896 -0.599 3.730 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.166 -0.557 1.849 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.861 -2.034 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.249 -0.352 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.819 0.374 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.432 0.555 1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.438 -2.347 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.560 -1.557 2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.396 -3.101 1.980 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.746 -3.041 2.184 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.298 -4.319 2.628 1.00 0.00 C ATOM 1323 C ARG A 86 -11.233 -5.334 1.489 1.00 0.00 C ATOM 1324 O ARG A 86 -11.839 -5.130 0.430 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.736 -4.149 3.114 1.00 0.00 C ATOM 1326 CG ARG A 86 -13.303 -5.396 3.770 1.00 0.00 C ATOM 1327 CD ARG A 86 -14.383 -5.040 4.774 1.00 0.00 C ATOM 1328 NE ARG A 86 -14.944 -6.221 5.443 1.00 0.00 N ATOM 1329 CZ ARG A 86 -14.301 -6.962 6.355 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -13.075 -6.640 6.762 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -14.896 -8.027 6.874 1.00 0.00 N ATOM 0 H ARG A 86 -11.168 -2.681 1.328 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.703 -4.686 3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.776 -3.323 3.825 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.367 -3.873 2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.714 -6.057 3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.504 -5.944 4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.969 -4.365 5.523 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.183 -4.501 4.266 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.894 -6.498 5.195 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.610 -5.817 6.378 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.601 -7.216 7.457 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.839 -8.279 6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.411 -8.594 7.569 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.481 -6.413 1.709 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.312 -7.458 0.701 1.00 0.00 C ATOM 1347 C GLU A 87 -11.394 -8.527 0.792 1.00 0.00 C ATOM 1348 O GLU A 87 -11.645 -9.086 1.861 1.00 0.00 O ATOM 1349 CB GLU A 87 -8.932 -8.112 0.829 1.00 0.00 C ATOM 1350 CG GLU A 87 -7.768 -7.216 0.429 1.00 0.00 C ATOM 1351 CD GLU A 87 -7.733 -6.865 -1.053 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -8.601 -7.343 -1.814 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -6.823 -6.111 -1.454 1.00 0.00 O ATOM 0 H GLU A 87 -9.978 -6.586 2.579 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.399 -6.975 -0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.790 -8.431 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.911 -9.010 0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.817 -6.294 1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.834 -7.711 0.696 1.00 0.00 H new ATOM 1360 N ASP A 88 -12.018 -8.808 -0.355 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.071 -9.818 -0.451 1.00 0.00 C ATOM 1362 C ASP A 88 -12.905 -10.648 -1.725 1.00 0.00 C ATOM 1363 O ASP A 88 -13.394 -11.778 -1.806 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.464 -9.168 -0.451 1.00 0.00 C ATOM 1365 CG ASP A 88 -14.804 -8.471 0.854 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -14.186 -7.428 1.154 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -15.692 -8.970 1.578 1.00 0.00 O ATOM 0 H ASP A 88 -11.808 -8.343 -1.238 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.983 -10.467 0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.520 -8.446 -1.265 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.214 -9.933 -0.652 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.230 -10.066 -2.722 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.013 -10.731 -4.010 1.00 0.00 C ATOM 1374 C GLN A 89 -10.520 -10.824 -4.358 1.00 0.00 C ATOM 1375 O GLN A 89 -9.761 -9.887 -4.127 1.00 0.00 O ATOM 1376 CB GLN A 89 -12.803 -9.964 -5.090 1.00 0.00 C ATOM 1377 CG GLN A 89 -12.552 -10.394 -6.533 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.748 -11.876 -6.787 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -11.750 -12.483 -7.414 1.00 0.00 O flip ATOM 1380 NE2 GLN A 89 -13.781 -12.456 -6.446 1.00 0.00 N flip ATOM 0 H GLN A 89 -11.824 -9.133 -2.660 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.373 -11.758 -3.955 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -13.867 -10.072 -4.879 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.566 -8.904 -5.001 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.220 -9.834 -7.188 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.533 -10.122 -6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.520 -11.942 -5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.897 -13.450 -6.644 1.00 0.00 H new ATOM 1389 N THR A 90 -10.124 -11.973 -4.930 1.00 0.00 N ATOM 1390 CA THR A 90 -8.737 -12.225 -5.348 1.00 0.00 C ATOM 1391 C THR A 90 -8.732 -12.545 -6.846 1.00 0.00 C ATOM 1392 O THR A 90 -9.312 -13.545 -7.274 1.00 0.00 O ATOM 1393 CB THR A 90 -8.137 -13.385 -4.544 1.00 0.00 C ATOM 1394 OG1 THR A 90 -8.329 -13.183 -3.155 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.651 -13.581 -4.769 1.00 0.00 C ATOM 0 H THR A 90 -10.756 -12.752 -5.115 1.00 0.00 H new ATOM 0 HA THR A 90 -8.127 -11.342 -5.160 1.00 0.00 H new ATOM 0 HB THR A 90 -8.660 -14.273 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.941 -13.934 -2.659 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.299 -14.419 -4.167 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.467 -13.789 -5.823 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.117 -12.676 -4.479 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.114 -11.669 -7.638 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.093 -11.823 -9.099 1.00 0.00 C ATOM 1405 C LEU A 91 -6.946 -12.706 -9.587 1.00 0.00 C ATOM 1406 O LEU A 91 -6.946 -13.130 -10.747 1.00 0.00 O ATOM 1407 CB LEU A 91 -7.968 -10.440 -9.761 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.813 -9.315 -9.138 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.370 -7.965 -9.673 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.298 -9.526 -9.395 1.00 0.00 C ATOM 0 H LEU A 91 -7.620 -10.844 -7.296 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.027 -12.310 -9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.921 -10.139 -9.733 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.244 -10.536 -10.811 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.656 -9.338 -8.060 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.977 -7.179 -9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.321 -7.801 -9.424 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.494 -7.944 -10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.865 -8.713 -8.941 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.483 -9.542 -10.469 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.612 -10.475 -8.959 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.978 -12.975 -8.707 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.809 -13.808 -9.053 1.00 0.00 C ATOM 1424 C LYS A 92 -3.956 -14.102 -7.801 1.00 0.00 C ATOM 1425 O LYS A 92 -3.699 -13.192 -7.014 1.00 0.00 O ATOM 1426 CB LYS A 92 -3.941 -13.102 -10.125 1.00 0.00 C ATOM 1427 CG LYS A 92 -2.826 -13.968 -10.717 1.00 0.00 C ATOM 1428 CD LYS A 92 -3.113 -14.396 -12.157 1.00 0.00 C ATOM 1429 CE LYS A 92 -4.233 -15.425 -12.255 1.00 0.00 C ATOM 1430 NZ LYS A 92 -4.495 -15.830 -13.665 1.00 0.00 N ATOM 0 H LYS A 92 -5.975 -12.630 -7.747 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.175 -14.752 -9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.589 -12.765 -10.934 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.495 -12.211 -9.683 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.887 -13.415 -10.687 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.693 -14.855 -10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.380 -13.518 -12.746 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.205 -14.811 -12.596 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.970 -16.305 -11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.144 -15.013 -11.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.263 -16.531 -13.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.771 -14.995 -14.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.634 -16.247 -14.072 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.506 -15.377 -7.592 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.682 -15.762 -6.425 1.00 0.00 C ATOM 1446 C PRO A 93 -1.391 -14.952 -6.298 1.00 0.00 C ATOM 1447 O PRO A 93 -0.608 -14.863 -7.247 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.335 -17.225 -6.716 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.456 -17.704 -7.551 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.761 -16.553 -8.456 1.00 0.00 C ATOM 0 HA PRO A 93 -3.218 -15.590 -5.491 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.383 -17.312 -7.240 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.247 -17.804 -5.797 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.178 -18.593 -8.118 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.320 -17.971 -6.942 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.121 -16.552 -9.339 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.792 -16.579 -8.809 1.00 0.00 H new ATOM 1458 N GLY A 94 -1.175 -14.382 -5.112 1.00 0.00 N ATOM 1459 CA GLY A 94 0.026 -13.603 -4.857 1.00 0.00 C ATOM 1460 C GLY A 94 1.038 -14.398 -4.064 1.00 0.00 C ATOM 1461 O GLY A 94 1.173 -14.217 -2.851 1.00 0.00 O ATOM 0 H GLY A 94 -1.815 -14.447 -4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.467 -13.290 -5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.235 -12.696 -4.312 1.00 0.00 H new ATOM 1465 N LYS A 95 1.731 -15.293 -4.757 1.00 0.00 N ATOM 1466 CA LYS A 95 2.730 -16.159 -4.135 1.00 0.00 C ATOM 1467 C LYS A 95 4.111 -16.012 -4.787 1.00 0.00 C ATOM 1468 O LYS A 95 4.925 -16.941 -4.754 1.00 0.00 O ATOM 1469 CB LYS A 95 2.257 -17.621 -4.174 1.00 0.00 C ATOM 1470 CG LYS A 95 1.522 -17.995 -5.456 1.00 0.00 C ATOM 1471 CD LYS A 95 1.157 -19.477 -5.516 1.00 0.00 C ATOM 1472 CE LYS A 95 -0.090 -19.813 -4.697 1.00 0.00 C ATOM 1473 NZ LYS A 95 0.151 -19.742 -3.228 1.00 0.00 N ATOM 0 H LYS A 95 1.619 -15.440 -5.760 1.00 0.00 H new ATOM 0 HA LYS A 95 2.838 -15.848 -3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.120 -18.276 -4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.601 -17.804 -3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.614 -17.398 -5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.146 -17.744 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.993 -19.764 -6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.997 -20.069 -5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.891 -19.124 -4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.432 -20.815 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.356 -20.517 -2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.170 -19.828 -3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.193 -18.831 -2.863 1.00 0.00 H new ATOM 1487 N VAL A 96 4.376 -14.832 -5.359 1.00 0.00 N ATOM 1488 CA VAL A 96 5.667 -14.549 -6.000 1.00 0.00 C ATOM 1489 C VAL A 96 6.269 -13.267 -5.416 1.00 0.00 C ATOM 1490 O VAL A 96 5.837 -12.161 -5.748 1.00 0.00 O ATOM 1491 CB VAL A 96 5.534 -14.416 -7.543 1.00 0.00 C ATOM 1492 CG1 VAL A 96 6.895 -14.188 -8.195 1.00 0.00 C ATOM 1493 CG2 VAL A 96 4.866 -15.647 -8.141 1.00 0.00 C ATOM 0 H VAL A 96 3.714 -14.057 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 96 6.327 -15.392 -5.798 1.00 0.00 H new ATOM 0 HB VAL A 96 4.906 -13.548 -7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.771 -14.099 -9.274 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.337 -13.272 -7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.550 -15.030 -7.974 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.785 -15.528 -9.221 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.464 -16.530 -7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.870 -15.765 -7.713 1.00 0.00 H new ATOM 1503 N ASP A 97 7.255 -13.430 -4.532 1.00 0.00 N ATOM 1504 CA ASP A 97 7.907 -12.293 -3.879 1.00 0.00 C ATOM 1505 C ASP A 97 9.025 -11.709 -4.746 1.00 0.00 C ATOM 1506 O ASP A 97 9.914 -12.430 -5.205 1.00 0.00 O ATOM 1507 CB ASP A 97 8.463 -12.725 -2.516 1.00 0.00 C ATOM 1508 CG ASP A 97 8.851 -11.552 -1.630 1.00 0.00 C ATOM 1509 OD1 ASP A 97 9.751 -10.778 -2.018 1.00 0.00 O ATOM 1510 OD2 ASP A 97 8.251 -11.408 -0.544 1.00 0.00 O ATOM 0 H ASP A 97 7.620 -14.340 -4.251 1.00 0.00 H new ATOM 0 HA ASP A 97 7.160 -11.512 -3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.717 -13.330 -2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.336 -13.359 -2.671 1.00 0.00 H new ATOM 1515 N VAL A 98 8.968 -10.387 -4.946 1.00 0.00 N ATOM 1516 CA VAL A 98 9.966 -9.658 -5.738 1.00 0.00 C ATOM 1517 C VAL A 98 10.501 -8.479 -4.916 1.00 0.00 C ATOM 1518 O VAL A 98 9.760 -7.890 -4.136 1.00 0.00 O ATOM 1519 CB VAL A 98 9.366 -9.131 -7.077 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.444 -8.521 -7.965 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.634 -10.241 -7.823 1.00 0.00 C ATOM 0 H VAL A 98 8.231 -9.794 -4.565 1.00 0.00 H new ATOM 0 HA VAL A 98 10.774 -10.347 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 98 8.648 -8.350 -6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.993 -8.163 -8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.915 -7.687 -7.445 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.196 -9.276 -8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.225 -9.846 -8.753 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.330 -11.049 -8.047 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.822 -10.622 -7.203 1.00 0.00 H new ATOM 1531 N LYS A 99 11.782 -8.141 -5.086 1.00 0.00 N ATOM 1532 CA LYS A 99 12.392 -7.029 -4.344 1.00 0.00 C ATOM 1533 C LYS A 99 12.046 -5.685 -4.988 1.00 0.00 C ATOM 1534 O LYS A 99 11.651 -5.634 -6.156 1.00 0.00 O ATOM 1535 CB LYS A 99 13.913 -7.191 -4.287 1.00 0.00 C ATOM 1536 CG LYS A 99 14.372 -8.479 -3.624 1.00 0.00 C ATOM 1537 CD LYS A 99 15.890 -8.642 -3.665 1.00 0.00 C ATOM 1538 CE LYS A 99 16.600 -7.681 -2.717 1.00 0.00 C ATOM 1539 NZ LYS A 99 18.079 -7.847 -2.762 1.00 0.00 N ATOM 0 H LYS A 99 12.416 -8.617 -5.727 1.00 0.00 H new ATOM 0 HA LYS A 99 11.990 -7.047 -3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.310 -7.155 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.338 -6.345 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.035 -8.492 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.904 -9.328 -4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.151 -9.667 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.244 -8.474 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.342 -6.655 -2.980 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.247 -7.848 -1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.524 -7.176 -2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.328 -8.819 -2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.420 -7.663 -3.727 1.00 0.00 H new ATOM 1553 N THR A 100 12.198 -4.599 -4.217 1.00 0.00 N ATOM 1554 CA THR A 100 11.902 -3.252 -4.714 1.00 0.00 C ATOM 1555 C THR A 100 13.184 -2.511 -5.091 1.00 0.00 C ATOM 1556 O THR A 100 14.203 -2.626 -4.404 1.00 0.00 O ATOM 1557 CB THR A 100 11.139 -2.435 -3.658 1.00 0.00 C ATOM 1558 OG1 THR A 100 11.962 -2.173 -2.536 1.00 0.00 O ATOM 1559 CG2 THR A 100 9.890 -3.118 -3.147 1.00 0.00 C ATOM 0 H THR A 100 12.523 -4.629 -3.251 1.00 0.00 H new ATOM 0 HA THR A 100 11.281 -3.363 -5.603 1.00 0.00 H new ATOM 0 HB THR A 100 10.849 -1.517 -4.169 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.108 -3.003 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.405 -2.483 -2.406 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.206 -3.294 -3.977 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.157 -4.070 -2.689 1.00 0.00 H new ATOM 1567 N ASP A 101 13.116 -1.741 -6.178 1.00 0.00 N ATOM 1568 CA ASP A 101 14.257 -0.957 -6.650 1.00 0.00 C ATOM 1569 C ASP A 101 14.168 0.479 -6.128 1.00 0.00 C ATOM 1570 O ASP A 101 13.235 0.818 -5.397 1.00 0.00 O ATOM 1571 CB ASP A 101 14.336 -0.985 -8.185 1.00 0.00 C ATOM 1572 CG ASP A 101 13.014 -0.663 -8.861 1.00 0.00 C ATOM 1573 OD1 ASP A 101 12.512 0.468 -8.689 1.00 0.00 O ATOM 1574 OD2 ASP A 101 12.479 -1.545 -9.566 1.00 0.00 O ATOM 0 H ASP A 101 12.277 -1.644 -6.751 1.00 0.00 H new ATOM 0 HA ASP A 101 15.172 -1.404 -6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 101 15.089 -0.270 -8.516 1.00 0.00 H new ATOM 0 HB3 ASP A 101 14.670 -1.971 -8.507 1.00 0.00 H new ATOM 1579 N LYS A 102 15.148 1.315 -6.491 1.00 0.00 N ATOM 1580 CA LYS A 102 15.181 2.710 -6.039 1.00 0.00 C ATOM 1581 C LYS A 102 14.183 3.589 -6.800 1.00 0.00 C ATOM 1582 O LYS A 102 13.842 4.679 -6.342 1.00 0.00 O ATOM 1583 CB LYS A 102 16.598 3.292 -6.178 1.00 0.00 C ATOM 1584 CG LYS A 102 17.118 3.336 -7.614 1.00 0.00 C ATOM 1585 CD LYS A 102 18.427 4.117 -7.747 1.00 0.00 C ATOM 1586 CE LYS A 102 18.216 5.633 -7.709 1.00 0.00 C ATOM 1587 NZ LYS A 102 17.918 6.136 -6.339 1.00 0.00 N ATOM 0 H LYS A 102 15.926 1.050 -7.095 1.00 0.00 H new ATOM 0 HA LYS A 102 14.891 2.709 -4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.605 4.303 -5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.284 2.699 -5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.270 2.318 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.363 3.790 -8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.102 3.828 -6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 102 18.914 3.845 -8.683 1.00 0.00 H new ATOM 0 HE2 LYS A 102 19.109 6.130 -8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.396 5.899 -8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.401 7.045 -6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.892 6.268 -6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 18.252 5.447 -5.636 1.00 0.00 H new ATOM 1601 N TRP A 103 13.730 3.116 -7.964 1.00 0.00 N ATOM 1602 CA TRP A 103 12.784 3.871 -8.792 1.00 0.00 C ATOM 1603 C TRP A 103 11.342 3.704 -8.301 1.00 0.00 C ATOM 1604 O TRP A 103 10.425 4.332 -8.837 1.00 0.00 O ATOM 1605 CB TRP A 103 12.889 3.441 -10.264 1.00 0.00 C ATOM 1606 CG TRP A 103 14.271 3.579 -10.843 1.00 0.00 C ATOM 1607 CD1 TRP A 103 15.278 2.657 -10.787 1.00 0.00 C ATOM 1608 CD2 TRP A 103 14.804 4.708 -11.551 1.00 0.00 C ATOM 1609 NE1 TRP A 103 16.399 3.140 -11.416 1.00 0.00 N ATOM 1610 CE2 TRP A 103 16.134 4.395 -11.892 1.00 0.00 C ATOM 1611 CE3 TRP A 103 14.286 5.952 -11.931 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 16.951 5.279 -12.592 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 15.100 6.828 -12.626 1.00 0.00 C ATOM 1614 CH2 TRP A 103 16.418 6.488 -12.951 1.00 0.00 C ATOM 0 H TRP A 103 14.003 2.214 -8.355 1.00 0.00 H new ATOM 0 HA TRP A 103 13.049 4.925 -8.707 1.00 0.00 H new ATOM 0 HB2 TRP A 103 12.571 2.402 -10.352 1.00 0.00 H new ATOM 0 HB3 TRP A 103 12.196 4.038 -10.857 1.00 0.00 H new ATOM 0 HD1 TRP A 103 15.203 1.688 -10.316 1.00 0.00 H new ATOM 0 HE1 TRP A 103 17.285 2.644 -11.513 1.00 0.00 H new ATOM 0 HE3 TRP A 103 13.270 6.223 -11.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 17.969 5.020 -12.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 14.712 7.791 -12.923 1.00 0.00 H new ATOM 0 HH2 TRP A 103 17.027 7.194 -13.496 1.00 0.00 H new ATOM 1625 N ASP A 104 11.151 2.860 -7.284 1.00 0.00 N ATOM 1626 CA ASP A 104 9.823 2.609 -6.721 1.00 0.00 C ATOM 1627 C ASP A 104 9.407 3.699 -5.731 1.00 0.00 C ATOM 1628 O ASP A 104 8.214 3.937 -5.533 1.00 0.00 O ATOM 1629 CB ASP A 104 9.784 1.233 -6.043 1.00 0.00 C ATOM 1630 CG ASP A 104 9.562 0.104 -7.032 1.00 0.00 C ATOM 1631 OD1 ASP A 104 8.543 0.141 -7.756 1.00 0.00 O ATOM 1632 OD2 ASP A 104 10.396 -0.820 -7.076 1.00 0.00 O ATOM 0 H ASP A 104 11.902 2.338 -6.833 1.00 0.00 H new ATOM 0 HA ASP A 104 9.110 2.624 -7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.721 1.067 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.988 1.221 -5.298 1.00 0.00 H new ATOM 1637 N PHE A 105 10.392 4.355 -5.107 1.00 0.00 N ATOM 1638 CA PHE A 105 10.116 5.416 -4.128 1.00 0.00 C ATOM 1639 C PHE A 105 11.078 6.603 -4.282 1.00 0.00 C ATOM 1640 O PHE A 105 11.781 6.983 -3.341 1.00 0.00 O ATOM 1641 CB PHE A 105 10.140 4.856 -2.684 1.00 0.00 C ATOM 1642 CG PHE A 105 10.932 3.578 -2.506 1.00 0.00 C ATOM 1643 CD1 PHE A 105 12.324 3.579 -2.497 1.00 0.00 C ATOM 1644 CD2 PHE A 105 10.271 2.366 -2.365 1.00 0.00 C ATOM 1645 CE1 PHE A 105 13.029 2.401 -2.350 1.00 0.00 C ATOM 1646 CE2 PHE A 105 10.975 1.187 -2.215 1.00 0.00 C ATOM 1647 CZ PHE A 105 12.354 1.205 -2.209 1.00 0.00 C ATOM 0 H PHE A 105 11.384 4.172 -5.261 1.00 0.00 H new ATOM 0 HA PHE A 105 9.113 5.791 -4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 105 10.553 5.617 -2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.114 4.677 -2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 105 12.858 4.511 -2.606 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.191 2.344 -2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 105 14.109 2.415 -2.345 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.446 0.252 -2.103 1.00 0.00 H new ATOM 0 HZ PHE A 105 12.906 0.284 -2.094 1.00 0.00 H new ATOM 1657 N TYR A 106 11.082 7.191 -5.485 1.00 0.00 N ATOM 1658 CA TYR A 106 11.925 8.348 -5.796 1.00 0.00 C ATOM 1659 C TYR A 106 11.261 9.213 -6.877 1.00 0.00 C ATOM 1660 O TYR A 106 11.259 8.859 -8.060 1.00 0.00 O ATOM 1661 CB TYR A 106 13.334 7.882 -6.233 1.00 0.00 C ATOM 1662 CG TYR A 106 14.270 8.975 -6.746 1.00 0.00 C ATOM 1663 CD1 TYR A 106 14.499 10.158 -6.034 1.00 0.00 C ATOM 1664 CD2 TYR A 106 14.933 8.811 -7.958 1.00 0.00 C ATOM 1665 CE1 TYR A 106 15.350 11.130 -6.523 1.00 0.00 C ATOM 1666 CE2 TYR A 106 15.787 9.781 -8.446 1.00 0.00 C ATOM 1667 CZ TYR A 106 15.991 10.937 -7.727 1.00 0.00 C ATOM 1668 OH TYR A 106 16.839 11.905 -8.213 1.00 0.00 O ATOM 0 H TYR A 106 10.504 6.879 -6.265 1.00 0.00 H new ATOM 0 HA TYR A 106 12.037 8.959 -4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 106 13.812 7.390 -5.386 1.00 0.00 H new ATOM 0 HB3 TYR A 106 13.221 7.131 -7.015 1.00 0.00 H new ATOM 0 HD1 TYR A 106 14.003 10.313 -5.087 1.00 0.00 H new ATOM 0 HD2 TYR A 106 14.777 7.907 -8.529 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.512 12.039 -5.963 1.00 0.00 H new ATOM 0 HE2 TYR A 106 16.293 9.633 -9.389 1.00 0.00 H new ATOM 0 HH TYR A 106 17.388 11.528 -8.932 1.00 0.00 H new ATOM 1678 N CYS A 107 10.703 10.350 -6.452 1.00 0.00 N ATOM 1679 CA CYS A 107 10.039 11.280 -7.366 1.00 0.00 C ATOM 1680 C CYS A 107 10.904 12.516 -7.595 1.00 0.00 C ATOM 1681 O CYS A 107 11.676 12.914 -6.717 1.00 0.00 O ATOM 1682 CB CYS A 107 8.668 11.690 -6.814 1.00 0.00 C ATOM 1683 SG CYS A 107 7.424 10.355 -6.822 1.00 0.00 S ATOM 0 H CYS A 107 10.699 10.648 -5.477 1.00 0.00 H new ATOM 0 HA CYS A 107 9.894 10.775 -8.321 1.00 0.00 H new ATOM 0 HB2 CYS A 107 8.793 12.048 -5.792 1.00 0.00 H new ATOM 0 HB3 CYS A 107 8.289 12.527 -7.400 1.00 0.00 H new ATOM 1688 N GLN A 108 10.776 13.114 -8.780 1.00 0.00 N ATOM 1689 CA GLN A 108 11.548 14.306 -9.132 1.00 0.00 C ATOM 1690 C GLN A 108 10.632 15.493 -9.410 1.00 0.00 C ATOM 1691 O GLN A 108 11.027 16.634 -9.086 1.00 0.00 O ATOM 1692 CB GLN A 108 12.437 14.035 -10.349 1.00 0.00 C ATOM 1693 CG GLN A 108 13.535 13.008 -10.087 1.00 0.00 C ATOM 1694 CD GLN A 108 14.529 12.837 -11.236 1.00 0.00 C ATOM 1695 OE1 GLN A 108 14.269 13.459 -12.389 1.00 0.00 O flip ATOM 1696 NE2 GLN A 108 15.527 12.133 -11.088 1.00 0.00 N flip ATOM 1697 OXT GLN A 108 9.530 15.275 -9.955 1.00 0.00 O ATOM 0 H GLN A 108 10.144 12.792 -9.513 1.00 0.00 H new ATOM 0 HA GLN A 108 12.182 14.553 -8.280 1.00 0.00 H new ATOM 0 HB2 GLN A 108 11.814 13.687 -11.173 1.00 0.00 H new ATOM 0 HB3 GLN A 108 12.895 14.971 -10.669 1.00 0.00 H new ATOM 0 HG2 GLN A 108 14.082 13.300 -9.190 1.00 0.00 H new ATOM 0 HG3 GLN A 108 13.071 12.044 -9.878 1.00 0.00 H new ATOM 0 HE21 GLN A 108 15.697 11.671 -10.195 1.00 0.00 H new ATOM 0 HE22 GLN A 108 16.184 12.011 -11.859 1.00 0.00 H new TER 1706 GLN A 108