USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 MET CE :methyl 166:sc= 0 (180deg=0) USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= 0.322 (180deg=0.183) USER MOD Single : A 16 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.0549 X(o=-0.055,f=-0.15) USER MOD Single : A 23 SER OG : rot 180:sc= -1.04 USER MOD Single : A 29 GLN : amide:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.15! USER MOD Single : A 42 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.1) USER MOD Single : A 45 GLN : amide:sc= 0.00783 K(o=0.0078,f=-0.7) USER MOD Single : A 51 SER OG : rot 22:sc= 0.175 USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.119) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.704 USER MOD Single : A 66 GLN : amide:sc= -4.52! C(o=-4.5!,f=-2.8!) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0785 USER MOD Single : A 82 SER OG : rot 129:sc= 0.74 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.57) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 155:sc= -0.47 (180deg=-1.51!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 148:sc= 0.0385 USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 9 -10.808 11.557 -3.562 1.00 0.00 N ATOM 12 CA ASP A 9 -9.484 11.406 -2.971 1.00 0.00 C ATOM 13 C ASP A 9 -9.589 11.043 -1.492 1.00 0.00 C ATOM 14 O ASP A 9 -9.634 11.920 -0.630 1.00 0.00 O ATOM 15 CB ASP A 9 -8.677 12.696 -3.140 1.00 0.00 C ATOM 16 CG ASP A 9 -7.392 12.475 -3.915 1.00 0.00 C ATOM 17 OD1 ASP A 9 -6.541 11.693 -3.443 1.00 0.00 O ATOM 18 OD2 ASP A 9 -7.237 13.086 -4.994 1.00 0.00 O ATOM 0 HA ASP A 9 -8.970 10.596 -3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -9.286 13.438 -3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.440 13.105 -2.158 1.00 0.00 H new ATOM 23 N ARG A 10 -9.627 9.746 -1.208 1.00 0.00 N ATOM 24 CA ARG A 10 -9.728 9.269 0.166 1.00 0.00 C ATOM 25 C ARG A 10 -8.821 8.064 0.395 1.00 0.00 C ATOM 26 O ARG A 10 -8.445 7.369 -0.549 1.00 0.00 O ATOM 27 CB ARG A 10 -11.176 8.902 0.495 1.00 0.00 C ATOM 28 CG ARG A 10 -12.096 10.106 0.619 1.00 0.00 C ATOM 29 CD ARG A 10 -13.106 10.159 -0.517 1.00 0.00 C ATOM 30 NE ARG A 10 -14.383 10.726 -0.088 1.00 0.00 N ATOM 31 CZ ARG A 10 -14.582 12.024 0.126 1.00 0.00 C ATOM 32 NH1 ARG A 10 -13.594 12.893 -0.046 1.00 0.00 N ATOM 33 NH2 ARG A 10 -15.775 12.457 0.514 1.00 0.00 N ATOM 0 H ARG A 10 -9.589 9.007 -1.910 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.404 10.073 0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.560 8.240 -0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.197 8.342 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.622 10.066 1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.502 11.020 0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.701 10.755 -1.335 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.268 9.154 -0.905 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.167 10.090 0.056 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.675 12.567 -0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.754 13.887 0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.539 11.795 0.648 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.928 13.452 0.678 1.00 0.00 H new ATOM 47 N LYS A 11 -8.470 7.825 1.655 1.00 0.00 N ATOM 48 CA LYS A 11 -7.605 6.705 2.009 1.00 0.00 C ATOM 49 C LYS A 11 -7.884 6.230 3.431 1.00 0.00 C ATOM 50 O LYS A 11 -8.009 7.037 4.349 1.00 0.00 O ATOM 51 CB LYS A 11 -6.135 7.111 1.876 1.00 0.00 C ATOM 52 CG LYS A 11 -5.169 5.939 1.960 1.00 0.00 C ATOM 53 CD LYS A 11 -3.944 6.285 2.791 1.00 0.00 C ATOM 54 CE LYS A 11 -4.227 6.158 4.279 1.00 0.00 C ATOM 55 NZ LYS A 11 -3.340 7.037 5.091 1.00 0.00 N ATOM 0 H LYS A 11 -8.771 8.392 2.448 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.815 5.884 1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.992 7.621 0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.892 7.828 2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.676 5.079 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.859 5.649 0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.120 5.626 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.626 7.303 2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.268 6.414 4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.091 5.121 4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.340 6.713 6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.372 6.997 4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.688 8.016 5.048 1.00 0.00 H new ATOM 69 N LEU A 12 -7.996 4.918 3.605 1.00 0.00 N ATOM 70 CA LEU A 12 -8.280 4.343 4.907 1.00 0.00 C ATOM 71 C LEU A 12 -7.029 4.079 5.702 1.00 0.00 C ATOM 72 O LEU A 12 -6.005 3.634 5.183 1.00 0.00 O ATOM 73 CB LEU A 12 -9.068 3.058 4.741 1.00 0.00 C ATOM 74 CG LEU A 12 -10.474 3.320 4.259 1.00 0.00 C ATOM 75 CD1 LEU A 12 -10.697 2.729 2.873 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.506 2.797 5.249 1.00 0.00 C ATOM 0 H LEU A 12 -7.893 4.234 2.856 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.870 5.072 5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.556 2.407 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.103 2.528 5.693 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.602 4.400 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.718 2.933 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.997 3.179 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.535 1.652 2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.508 3.002 4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.378 1.722 5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.372 3.293 6.210 1.00 0.00 H new ATOM 88 N CYS A 13 -7.144 4.377 6.977 1.00 0.00 N ATOM 89 CA CYS A 13 -6.043 4.202 7.914 1.00 0.00 C ATOM 90 C CYS A 13 -6.498 3.482 9.177 1.00 0.00 C ATOM 91 O CYS A 13 -7.681 3.484 9.517 1.00 0.00 O ATOM 92 CB CYS A 13 -5.437 5.559 8.278 1.00 0.00 C ATOM 93 SG CYS A 13 -3.615 5.579 8.296 1.00 0.00 S ATOM 0 H CYS A 13 -7.997 4.746 7.398 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.286 3.588 7.427 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.791 6.305 7.567 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.803 5.856 9.261 1.00 0.00 H new ATOM 98 N ALA A 14 -5.543 2.870 9.867 1.00 0.00 N ATOM 99 CA ALA A 14 -5.821 2.144 11.097 1.00 0.00 C ATOM 100 C ALA A 14 -6.234 3.093 12.219 1.00 0.00 C ATOM 101 O ALA A 14 -5.535 3.223 13.225 1.00 0.00 O ATOM 102 CB ALA A 14 -4.601 1.333 11.509 1.00 0.00 C ATOM 0 H ALA A 14 -4.561 2.863 9.591 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.654 1.466 10.912 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.818 0.793 12.431 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.354 0.622 10.721 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.757 2.003 11.671 1.00 0.00 H new ATOM 108 N ASP A 15 -7.373 3.755 12.042 1.00 0.00 N ATOM 109 CA ASP A 15 -7.877 4.690 13.040 1.00 0.00 C ATOM 110 C ASP A 15 -6.891 5.834 13.259 1.00 0.00 C ATOM 111 O ASP A 15 -5.881 5.937 12.565 1.00 0.00 O ATOM 112 CB ASP A 15 -8.143 3.964 14.361 1.00 0.00 C ATOM 113 CG ASP A 15 -9.611 3.981 14.744 1.00 0.00 C ATOM 114 OD1 ASP A 15 -10.415 3.331 14.045 1.00 0.00 O ATOM 115 OD2 ASP A 15 -9.955 4.646 15.744 1.00 0.00 O ATOM 0 H ASP A 15 -7.964 3.661 11.216 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.813 5.109 12.672 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.803 2.931 14.280 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.558 4.431 15.153 1.00 0.00 H new ATOM 120 N GLN A 16 -7.194 6.689 14.231 1.00 0.00 N ATOM 121 CA GLN A 16 -6.334 7.826 14.543 1.00 0.00 C ATOM 122 C GLN A 16 -5.012 7.357 15.143 1.00 0.00 C ATOM 123 O GLN A 16 -4.768 7.518 16.339 1.00 0.00 O ATOM 124 CB GLN A 16 -7.042 8.776 15.511 1.00 0.00 C ATOM 125 CG GLN A 16 -8.086 9.656 14.846 1.00 0.00 C ATOM 126 CD GLN A 16 -7.491 10.915 14.246 1.00 0.00 C ATOM 127 OE1 GLN A 16 -7.431 11.067 13.026 1.00 0.00 O ATOM 128 NE2 GLN A 16 -7.045 11.825 15.104 1.00 0.00 N ATOM 0 H GLN A 16 -8.027 6.617 14.815 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.122 8.358 13.615 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.520 8.191 16.297 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.298 9.410 15.993 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.590 9.088 14.064 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.845 9.931 15.579 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.115 11.657 16.108 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.633 12.692 14.759 1.00 0.00 H new ATOM 137 N GLU A 17 -4.161 6.777 14.302 1.00 0.00 N ATOM 138 CA GLU A 17 -2.865 6.285 14.746 1.00 0.00 C ATOM 139 C GLU A 17 -1.997 5.891 13.555 1.00 0.00 C ATOM 140 O GLU A 17 -0.896 6.413 13.376 1.00 0.00 O ATOM 141 CB GLU A 17 -3.041 5.088 15.683 1.00 0.00 C ATOM 142 CG GLU A 17 -1.777 4.719 16.443 1.00 0.00 C ATOM 143 CD GLU A 17 -2.070 4.155 17.820 1.00 0.00 C ATOM 144 OE1 GLU A 17 -2.529 2.996 17.901 1.00 0.00 O ATOM 145 OE2 GLU A 17 -1.840 4.871 18.816 1.00 0.00 O ATOM 0 H GLU A 17 -4.348 6.637 13.309 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.366 7.089 15.288 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.833 5.310 16.398 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.370 4.227 15.101 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.212 3.987 15.867 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.146 5.602 16.543 1.00 0.00 H new ATOM 152 N CYS A 18 -2.500 4.968 12.742 1.00 0.00 N ATOM 153 CA CYS A 18 -1.773 4.504 11.566 1.00 0.00 C ATOM 154 C CYS A 18 -0.409 3.941 11.955 1.00 0.00 C ATOM 155 O CYS A 18 0.547 4.012 11.181 1.00 0.00 O ATOM 156 CB CYS A 18 -1.599 5.646 10.564 1.00 0.00 C ATOM 157 SG CYS A 18 -3.160 6.449 10.073 1.00 0.00 S ATOM 0 H CYS A 18 -3.409 4.526 12.876 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.355 3.708 11.102 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.937 6.396 10.996 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.105 5.261 9.672 1.00 0.00 H new ATOM 162 N SER A 19 -0.326 3.382 13.158 1.00 0.00 N ATOM 163 CA SER A 19 0.921 2.807 13.649 1.00 0.00 C ATOM 164 C SER A 19 0.971 1.308 13.378 1.00 0.00 C ATOM 165 O SER A 19 1.995 0.778 12.949 1.00 0.00 O ATOM 166 CB SER A 19 1.073 3.073 15.148 1.00 0.00 C ATOM 167 OG SER A 19 2.430 2.986 15.547 1.00 0.00 O ATOM 0 H SER A 19 -1.107 3.315 13.810 1.00 0.00 H new ATOM 0 HA SER A 19 1.746 3.281 13.118 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.684 4.063 15.386 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.479 2.353 15.710 1.00 0.00 H new ATOM 0 HG SER A 19 2.500 3.162 16.509 1.00 0.00 H new ATOM 173 N HIS A 20 -0.142 0.628 13.634 1.00 0.00 N ATOM 174 CA HIS A 20 -0.227 -0.811 13.418 1.00 0.00 C ATOM 175 C HIS A 20 -0.493 -1.127 11.948 1.00 0.00 C ATOM 176 O HIS A 20 -1.154 -0.359 11.249 1.00 0.00 O ATOM 177 CB HIS A 20 -1.328 -1.414 14.291 1.00 0.00 C ATOM 178 CG HIS A 20 -0.895 -1.683 15.699 1.00 0.00 C ATOM 179 ND1 HIS A 20 0.265 -1.170 16.241 1.00 0.00 N ATOM 180 CD2 HIS A 20 -1.476 -2.414 16.681 1.00 0.00 C ATOM 181 CE1 HIS A 20 0.380 -1.576 17.494 1.00 0.00 C ATOM 182 NE2 HIS A 20 -0.663 -2.330 17.785 1.00 0.00 N ATOM 0 H HIS A 20 -0.998 1.051 13.992 1.00 0.00 H new ATOM 0 HA HIS A 20 0.730 -1.253 13.697 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.181 -0.736 14.305 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.669 -2.346 13.840 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.405 -2.961 16.609 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.190 -1.332 18.165 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.837 -2.778 18.685 1.00 0.00 H new ATOM 191 N PRO A 21 0.024 -2.267 11.457 1.00 0.00 N ATOM 192 CA PRO A 21 -0.159 -2.680 10.062 1.00 0.00 C ATOM 193 C PRO A 21 -1.576 -3.167 9.780 1.00 0.00 C ATOM 194 O PRO A 21 -2.323 -3.504 10.699 1.00 0.00 O ATOM 195 CB PRO A 21 0.841 -3.825 9.903 1.00 0.00 C ATOM 196 CG PRO A 21 0.980 -4.396 11.271 1.00 0.00 C ATOM 197 CD PRO A 21 0.828 -3.239 12.222 1.00 0.00 C ATOM 0 HA PRO A 21 -0.001 -1.855 9.367 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.479 -4.572 9.197 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.798 -3.466 9.524 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.220 -5.155 11.456 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.949 -4.879 11.396 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.326 -3.539 13.142 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.795 -2.824 12.507 1.00 0.00 H new ATOM 205 N ILE A 22 -1.938 -3.203 8.500 1.00 0.00 N ATOM 206 CA ILE A 22 -3.264 -3.650 8.091 1.00 0.00 C ATOM 207 C ILE A 22 -3.376 -5.167 8.177 1.00 0.00 C ATOM 208 O ILE A 22 -4.355 -5.706 8.690 1.00 0.00 O ATOM 209 CB ILE A 22 -3.590 -3.188 6.643 1.00 0.00 C ATOM 210 CG1 ILE A 22 -4.997 -2.588 6.575 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.450 -4.336 5.637 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.226 -1.461 7.560 1.00 0.00 C ATOM 0 H ILE A 22 -1.330 -2.927 7.729 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.984 -3.200 8.774 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.865 -2.420 6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.176 -2.218 5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.728 -3.375 6.761 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.686 -3.974 4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.427 -4.713 5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.137 -5.139 5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.244 -1.086 7.454 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.079 -1.830 8.575 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.520 -0.655 7.361 1.00 0.00 H new ATOM 224 N SER A 23 -2.369 -5.843 7.642 1.00 0.00 N ATOM 225 CA SER A 23 -2.340 -7.294 7.617 1.00 0.00 C ATOM 226 C SER A 23 -1.089 -7.779 6.906 1.00 0.00 C ATOM 227 O SER A 23 -0.182 -7.002 6.614 1.00 0.00 O ATOM 228 CB SER A 23 -3.587 -7.831 6.906 1.00 0.00 C ATOM 229 OG SER A 23 -3.692 -7.305 5.595 1.00 0.00 O ATOM 0 H SER A 23 -1.554 -5.402 7.216 1.00 0.00 H new ATOM 0 HA SER A 23 -2.329 -7.664 8.642 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.544 -8.919 6.862 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.477 -7.570 7.479 1.00 0.00 H new ATOM 0 HG SER A 23 -4.494 -7.664 5.162 1.00 0.00 H new ATOM 235 N MET A 24 -1.057 -9.067 6.628 1.00 0.00 N ATOM 236 CA MET A 24 0.080 -9.674 5.942 1.00 0.00 C ATOM 237 C MET A 24 -0.355 -10.310 4.628 1.00 0.00 C ATOM 238 O MET A 24 -1.402 -10.953 4.557 1.00 0.00 O ATOM 239 CB MET A 24 0.743 -10.724 6.832 1.00 0.00 C ATOM 240 CG MET A 24 2.225 -10.915 6.546 1.00 0.00 C ATOM 241 SD MET A 24 2.729 -12.645 6.615 1.00 0.00 S ATOM 242 CE MET A 24 3.068 -12.829 8.363 1.00 0.00 C ATOM 0 H MET A 24 -1.804 -9.720 6.865 1.00 0.00 H new ATOM 0 HA MET A 24 0.801 -8.886 5.725 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.617 -10.436 7.876 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.230 -11.677 6.700 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.455 -10.513 5.560 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.807 -10.342 7.268 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.148 -13.888 8.609 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.005 -12.328 8.607 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.258 -12.383 8.940 1.00 0.00 H new ATOM 252 N ALA A 25 0.453 -10.128 3.588 1.00 0.00 N ATOM 253 CA ALA A 25 0.142 -10.691 2.281 1.00 0.00 C ATOM 254 C ALA A 25 1.404 -11.057 1.516 1.00 0.00 C ATOM 255 O ALA A 25 2.357 -10.283 1.459 1.00 0.00 O ATOM 256 CB ALA A 25 -0.706 -9.721 1.474 1.00 0.00 C ATOM 0 H ALA A 25 1.323 -9.598 3.625 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.426 -11.608 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.930 -10.157 0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.637 -9.523 2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.160 -8.787 1.337 1.00 0.00 H new ATOM 262 N VAL A 26 1.396 -12.248 0.926 1.00 0.00 N ATOM 263 CA VAL A 26 2.538 -12.728 0.159 1.00 0.00 C ATOM 264 C VAL A 26 2.301 -12.576 -1.337 1.00 0.00 C ATOM 265 O VAL A 26 1.166 -12.617 -1.806 1.00 0.00 O ATOM 266 CB VAL A 26 2.837 -14.205 0.473 1.00 0.00 C ATOM 267 CG1 VAL A 26 4.134 -14.643 -0.191 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.896 -14.432 1.976 1.00 0.00 C ATOM 0 H VAL A 26 0.611 -12.898 0.965 1.00 0.00 H new ATOM 0 HA VAL A 26 3.394 -12.119 0.449 1.00 0.00 H new ATOM 0 HB VAL A 26 2.027 -14.812 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.327 -15.690 0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.049 -14.523 -1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.957 -14.031 0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.108 -15.482 2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.683 -13.813 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.939 -14.163 2.422 1.00 0.00 H new ATOM 278 N ALA A 27 3.383 -12.402 -2.083 1.00 0.00 N ATOM 279 CA ALA A 27 3.298 -12.242 -3.530 1.00 0.00 C ATOM 280 C ALA A 27 2.669 -13.468 -4.181 1.00 0.00 C ATOM 281 O ALA A 27 3.068 -14.600 -3.914 1.00 0.00 O ATOM 282 CB ALA A 27 4.678 -11.984 -4.112 1.00 0.00 C ATOM 0 H ALA A 27 4.332 -12.368 -1.710 1.00 0.00 H new ATOM 0 HA ALA A 27 2.660 -11.384 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.601 -11.866 -5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.092 -11.075 -3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.332 -12.826 -3.884 1.00 0.00 H new ATOM 288 N LEU A 28 1.682 -13.231 -5.038 1.00 0.00 N ATOM 289 CA LEU A 28 0.996 -14.315 -5.730 1.00 0.00 C ATOM 290 C LEU A 28 1.593 -14.558 -7.117 1.00 0.00 C ATOM 291 O LEU A 28 1.102 -15.403 -7.863 1.00 0.00 O ATOM 292 CB LEU A 28 -0.496 -14.000 -5.855 1.00 0.00 C ATOM 293 CG LEU A 28 -1.385 -15.197 -6.196 1.00 0.00 C ATOM 294 CD1 LEU A 28 -1.373 -16.211 -5.063 1.00 0.00 C ATOM 295 CD2 LEU A 28 -2.805 -14.738 -6.489 1.00 0.00 C ATOM 0 H LEU A 28 1.340 -12.299 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 28 1.127 -15.222 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.840 -13.567 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.628 -13.239 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.988 -15.678 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.011 -17.055 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.354 -16.563 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.745 -15.743 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.424 -15.602 -6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.212 -14.233 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.798 -14.050 -7.334 1.00 0.00 H new ATOM 307 N GLN A 29 2.659 -13.819 -7.447 1.00 0.00 N ATOM 308 CA GLN A 29 3.342 -13.944 -8.730 1.00 0.00 C ATOM 309 C GLN A 29 4.190 -12.711 -9.024 1.00 0.00 C ATOM 310 O GLN A 29 4.149 -11.723 -8.290 1.00 0.00 O ATOM 311 CB GLN A 29 2.348 -14.167 -9.871 1.00 0.00 C ATOM 312 CG GLN A 29 2.173 -15.631 -10.216 1.00 0.00 C ATOM 313 CD GLN A 29 2.786 -15.997 -11.554 1.00 0.00 C ATOM 314 OE1 GLN A 29 3.712 -16.805 -11.627 1.00 0.00 O ATOM 315 NE2 GLN A 29 2.270 -15.402 -12.624 1.00 0.00 N ATOM 0 H GLN A 29 3.069 -13.119 -6.829 1.00 0.00 H new ATOM 0 HA GLN A 29 3.995 -14.814 -8.661 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.382 -13.745 -9.593 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.689 -13.628 -10.755 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.627 -16.240 -9.435 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.110 -15.872 -10.231 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.503 -14.738 -12.518 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.641 -15.609 -13.551 1.00 0.00 H new ATOM 324 N ASP A 30 4.957 -12.783 -10.105 1.00 0.00 N ATOM 325 CA ASP A 30 5.822 -11.681 -10.510 1.00 0.00 C ATOM 326 C ASP A 30 4.999 -10.471 -10.941 1.00 0.00 C ATOM 327 O ASP A 30 3.959 -10.614 -11.583 1.00 0.00 O ATOM 328 CB ASP A 30 6.740 -12.119 -11.654 1.00 0.00 C ATOM 329 CG ASP A 30 7.745 -11.050 -12.031 1.00 0.00 C ATOM 330 OD1 ASP A 30 8.820 -10.995 -11.397 1.00 0.00 O ATOM 331 OD2 ASP A 30 7.458 -10.267 -12.962 1.00 0.00 O ATOM 0 H ASP A 30 4.998 -13.596 -10.719 1.00 0.00 H new ATOM 0 HA ASP A 30 6.430 -11.397 -9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.270 -13.026 -11.363 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.135 -12.369 -12.526 1.00 0.00 H new ATOM 336 N TYR A 31 5.471 -9.283 -10.582 1.00 0.00 N ATOM 337 CA TYR A 31 4.777 -8.049 -10.931 1.00 0.00 C ATOM 338 C TYR A 31 5.713 -6.848 -10.832 1.00 0.00 C ATOM 339 O TYR A 31 5.749 -6.158 -9.814 1.00 0.00 O ATOM 340 CB TYR A 31 3.566 -7.851 -10.016 1.00 0.00 C ATOM 341 CG TYR A 31 2.839 -6.544 -10.238 1.00 0.00 C ATOM 342 CD1 TYR A 31 1.860 -6.427 -11.216 1.00 0.00 C ATOM 343 CD2 TYR A 31 3.132 -5.428 -9.465 1.00 0.00 C ATOM 344 CE1 TYR A 31 1.193 -5.233 -11.419 1.00 0.00 C ATOM 345 CE2 TYR A 31 2.469 -4.233 -9.660 1.00 0.00 C ATOM 346 CZ TYR A 31 1.502 -4.139 -10.638 1.00 0.00 C ATOM 347 OH TYR A 31 0.840 -2.949 -10.835 1.00 0.00 O ATOM 0 H TYR A 31 6.331 -9.148 -10.050 1.00 0.00 H new ATOM 0 HA TYR A 31 4.436 -8.129 -11.963 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.868 -8.674 -10.169 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.895 -7.901 -8.978 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.616 -7.283 -11.828 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.891 -5.496 -8.699 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.435 -5.157 -12.184 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.707 -3.375 -9.049 1.00 0.00 H new ATOM 0 HH TYR A 31 1.175 -2.280 -10.202 1.00 0.00 H new ATOM 357 N MET A 32 6.478 -6.611 -11.894 1.00 0.00 N ATOM 358 CA MET A 32 7.417 -5.518 -11.934 1.00 0.00 C ATOM 359 C MET A 32 6.703 -4.173 -11.882 1.00 0.00 C ATOM 360 O MET A 32 5.715 -3.956 -12.584 1.00 0.00 O ATOM 361 CB MET A 32 8.277 -5.604 -13.197 1.00 0.00 C ATOM 362 CG MET A 32 9.592 -4.849 -13.091 1.00 0.00 C ATOM 363 SD MET A 32 10.950 -5.699 -13.920 1.00 0.00 S ATOM 364 CE MET A 32 11.918 -6.243 -12.515 1.00 0.00 C ATOM 0 H MET A 32 6.457 -7.175 -12.744 1.00 0.00 H new ATOM 0 HA MET A 32 8.059 -5.597 -11.056 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.486 -6.652 -13.414 1.00 0.00 H new ATOM 0 HB3 MET A 32 7.709 -5.211 -14.040 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.472 -3.856 -13.524 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.843 -4.710 -12.039 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.795 -6.786 -12.866 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.236 -5.377 -11.935 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.313 -6.898 -11.888 1.00 0.00 H new ATOM 374 N ALA A 33 7.208 -3.277 -11.034 1.00 0.00 N ATOM 375 CA ALA A 33 6.634 -1.953 -10.862 1.00 0.00 C ATOM 376 C ALA A 33 6.161 -1.356 -12.189 1.00 0.00 C ATOM 377 O ALA A 33 6.821 -1.510 -13.217 1.00 0.00 O ATOM 378 CB ALA A 33 7.645 -1.030 -10.200 1.00 0.00 C ATOM 0 H ALA A 33 8.026 -3.453 -10.450 1.00 0.00 H new ATOM 0 HA ALA A 33 5.759 -2.053 -10.220 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.207 -0.040 -10.075 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.920 -1.431 -9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.535 -0.956 -10.825 1.00 0.00 H new ATOM 384 N PRO A 34 5.008 -0.664 -12.184 1.00 0.00 N ATOM 385 CA PRO A 34 4.456 -0.045 -13.393 1.00 0.00 C ATOM 386 C PRO A 34 5.459 0.873 -14.081 1.00 0.00 C ATOM 387 O PRO A 34 5.719 0.742 -15.277 1.00 0.00 O ATOM 388 CB PRO A 34 3.263 0.762 -12.872 1.00 0.00 C ATOM 389 CG PRO A 34 2.878 0.094 -11.598 1.00 0.00 C ATOM 390 CD PRO A 34 4.154 -0.430 -11.004 1.00 0.00 C ATOM 0 HA PRO A 34 4.187 -0.789 -14.143 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.533 1.805 -12.706 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.440 0.756 -13.586 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.392 0.796 -10.921 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.171 -0.715 -11.780 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.603 0.289 -10.319 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.988 -1.348 -10.440 1.00 0.00 H new ATOM 398 N ASP A 35 6.020 1.805 -13.317 1.00 0.00 N ATOM 399 CA ASP A 35 6.996 2.748 -13.851 1.00 0.00 C ATOM 400 C ASP A 35 7.495 3.692 -12.759 1.00 0.00 C ATOM 401 O ASP A 35 7.292 3.442 -11.571 1.00 0.00 O ATOM 402 CB ASP A 35 6.383 3.553 -15.000 1.00 0.00 C ATOM 403 CG ASP A 35 7.357 3.763 -16.142 1.00 0.00 C ATOM 404 OD1 ASP A 35 7.544 2.823 -16.943 1.00 0.00 O ATOM 405 OD2 ASP A 35 7.933 4.867 -16.236 1.00 0.00 O ATOM 0 H ASP A 35 5.815 1.927 -12.325 1.00 0.00 H new ATOM 0 HA ASP A 35 7.846 2.179 -14.229 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.498 3.036 -15.371 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.052 4.522 -14.625 1.00 0.00 H new ATOM 410 N CYS A 36 8.146 4.776 -13.170 1.00 0.00 N ATOM 411 CA CYS A 36 8.673 5.759 -12.229 1.00 0.00 C ATOM 412 C CYS A 36 9.801 5.160 -11.390 1.00 0.00 C ATOM 413 O CYS A 36 10.978 5.367 -11.681 1.00 0.00 O ATOM 414 CB CYS A 36 7.556 6.282 -11.321 1.00 0.00 C ATOM 415 SG CYS A 36 7.135 8.033 -11.596 1.00 0.00 S ATOM 0 H CYS A 36 8.322 4.996 -14.150 1.00 0.00 H new ATOM 0 HA CYS A 36 9.079 6.593 -12.802 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.663 5.676 -11.475 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.855 6.150 -10.281 1.00 0.00 H new ATOM 0 HG CYS A 36 6.181 8.382 -10.785 1.00 0.00 H new ATOM 420 N ARG A 37 9.435 4.420 -10.346 1.00 0.00 N ATOM 421 CA ARG A 37 10.419 3.797 -9.468 1.00 0.00 C ATOM 422 C ARG A 37 9.737 3.045 -8.327 1.00 0.00 C ATOM 423 O ARG A 37 10.171 3.114 -7.177 1.00 0.00 O ATOM 424 CB ARG A 37 11.374 4.853 -8.905 1.00 0.00 C ATOM 425 CG ARG A 37 12.839 4.494 -9.079 1.00 0.00 C ATOM 426 CD ARG A 37 13.721 5.245 -8.093 1.00 0.00 C ATOM 427 NE ARG A 37 14.603 6.197 -8.763 1.00 0.00 N ATOM 428 CZ ARG A 37 15.182 7.229 -8.154 1.00 0.00 C ATOM 429 NH1 ARG A 37 14.977 7.446 -6.860 1.00 0.00 N ATOM 430 NH2 ARG A 37 15.969 8.047 -8.840 1.00 0.00 N ATOM 0 H ARG A 37 8.465 4.238 -10.089 1.00 0.00 H new ATOM 0 HA ARG A 37 10.990 3.080 -10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.180 5.806 -9.396 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.165 4.993 -7.844 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.970 3.421 -8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.152 4.725 -10.097 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.094 5.775 -7.376 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.320 4.532 -7.527 1.00 0.00 H new ATOM 0 HE ARG A 37 14.786 6.063 -9.757 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.373 6.820 -6.327 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.424 8.239 -6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.130 7.885 -9.834 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.413 8.838 -8.374 1.00 0.00 H new ATOM 444 N PHE A 38 8.668 2.326 -8.652 1.00 0.00 N ATOM 445 CA PHE A 38 7.929 1.562 -7.653 1.00 0.00 C ATOM 446 C PHE A 38 8.657 0.264 -7.312 1.00 0.00 C ATOM 447 O PHE A 38 9.740 -0.005 -7.831 1.00 0.00 O ATOM 448 CB PHE A 38 6.517 1.254 -8.156 1.00 0.00 C ATOM 449 CG PHE A 38 5.577 2.422 -8.060 1.00 0.00 C ATOM 450 CD1 PHE A 38 5.342 3.040 -6.841 1.00 0.00 C ATOM 451 CD2 PHE A 38 4.931 2.903 -9.187 1.00 0.00 C ATOM 452 CE1 PHE A 38 4.478 4.115 -6.750 1.00 0.00 C ATOM 453 CE2 PHE A 38 4.066 3.977 -9.101 1.00 0.00 C ATOM 454 CZ PHE A 38 3.840 4.584 -7.881 1.00 0.00 C ATOM 0 H PHE A 38 8.294 2.256 -9.598 1.00 0.00 H new ATOM 0 HA PHE A 38 7.860 2.166 -6.748 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.573 0.928 -9.195 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.109 0.422 -7.582 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.839 2.678 -5.953 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.105 2.433 -10.144 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.302 4.588 -5.795 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.567 4.342 -9.987 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.165 5.424 -7.812 1.00 0.00 H new ATOM 464 N LEU A 39 8.057 -0.534 -6.435 1.00 0.00 N ATOM 465 CA LEU A 39 8.650 -1.802 -6.023 1.00 0.00 C ATOM 466 C LEU A 39 7.956 -2.979 -6.703 1.00 0.00 C ATOM 467 O LEU A 39 6.728 -3.045 -6.750 1.00 0.00 O ATOM 468 CB LEU A 39 8.566 -1.955 -4.502 1.00 0.00 C ATOM 469 CG LEU A 39 9.763 -2.649 -3.853 1.00 0.00 C ATOM 470 CD1 LEU A 39 9.816 -2.343 -2.364 1.00 0.00 C ATOM 471 CD2 LEU A 39 9.698 -4.151 -4.088 1.00 0.00 C ATOM 0 H LEU A 39 7.160 -0.325 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 39 9.697 -1.800 -6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.455 -0.966 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.664 -2.516 -4.258 1.00 0.00 H new ATOM 0 HG LEU A 39 10.674 -2.267 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.675 -2.846 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.909 -1.267 -2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.902 -2.697 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.558 -4.630 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.780 -4.548 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.710 -4.353 -5.159 1.00 0.00 H new ATOM 483 N THR A 40 8.750 -3.907 -7.230 1.00 0.00 N ATOM 484 CA THR A 40 8.211 -5.080 -7.907 1.00 0.00 C ATOM 485 C THR A 40 7.858 -6.178 -6.910 1.00 0.00 C ATOM 486 O THR A 40 8.416 -6.240 -5.814 1.00 0.00 O ATOM 487 CB THR A 40 9.215 -5.613 -8.928 1.00 0.00 C ATOM 488 OG1 THR A 40 8.783 -6.850 -9.466 1.00 0.00 O ATOM 489 CG2 THR A 40 10.596 -5.832 -8.357 1.00 0.00 C ATOM 0 H THR A 40 9.769 -3.868 -7.201 1.00 0.00 H new ATOM 0 HA THR A 40 7.300 -4.777 -8.423 1.00 0.00 H new ATOM 0 HB THR A 40 9.270 -4.841 -9.696 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.441 -7.171 -10.118 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.256 -6.211 -9.137 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.987 -4.888 -7.978 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.543 -6.556 -7.544 1.00 0.00 H new ATOM 497 N ILE A 41 6.931 -7.043 -7.303 1.00 0.00 N ATOM 498 CA ILE A 41 6.500 -8.146 -6.453 1.00 0.00 C ATOM 499 C ILE A 41 6.762 -9.486 -7.136 1.00 0.00 C ATOM 500 O ILE A 41 6.120 -9.822 -8.131 1.00 0.00 O ATOM 501 CB ILE A 41 5.002 -8.029 -6.105 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.732 -6.718 -5.364 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.548 -9.216 -5.267 1.00 0.00 C ATOM 504 CD1 ILE A 41 4.426 -5.555 -6.281 1.00 0.00 C ATOM 0 H ILE A 41 6.462 -7.002 -8.208 1.00 0.00 H new ATOM 0 HA ILE A 41 7.078 -8.094 -5.530 1.00 0.00 H new ATOM 0 HB ILE A 41 4.432 -8.030 -7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.894 -6.862 -4.682 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.601 -6.470 -4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.488 -9.112 -5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.708 -10.138 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.122 -9.249 -4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.245 -4.660 -5.686 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.272 -5.384 -6.946 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.539 -5.782 -6.873 1.00 0.00 H new ATOM 516 N HIS A 42 7.716 -10.244 -6.601 1.00 0.00 N ATOM 517 CA HIS A 42 8.071 -11.542 -7.166 1.00 0.00 C ATOM 518 C HIS A 42 7.524 -12.687 -6.320 1.00 0.00 C ATOM 519 O HIS A 42 7.294 -12.534 -5.120 1.00 0.00 O ATOM 520 CB HIS A 42 9.590 -11.667 -7.292 1.00 0.00 C ATOM 521 CG HIS A 42 10.028 -12.824 -8.132 1.00 0.00 C ATOM 522 ND1 HIS A 42 11.019 -13.703 -7.748 1.00 0.00 N ATOM 523 CD2 HIS A 42 9.606 -13.248 -9.348 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.187 -14.615 -8.689 1.00 0.00 C ATOM 525 NE2 HIS A 42 10.342 -14.361 -9.669 1.00 0.00 N ATOM 0 H HIS A 42 8.257 -9.981 -5.777 1.00 0.00 H new ATOM 0 HA HIS A 42 7.620 -11.608 -8.156 1.00 0.00 H new ATOM 0 HB2 HIS A 42 9.988 -10.747 -7.720 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.022 -11.768 -6.296 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.834 -12.794 -9.952 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.896 -15.430 -8.660 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.250 -14.904 -10.527 1.00 0.00 H new ATOM 534 N ARG A 43 7.319 -13.838 -6.959 1.00 0.00 N ATOM 535 CA ARG A 43 6.800 -15.022 -6.282 1.00 0.00 C ATOM 536 C ARG A 43 7.510 -15.269 -4.954 1.00 0.00 C ATOM 537 O ARG A 43 8.626 -14.800 -4.732 1.00 0.00 O ATOM 538 CB ARG A 43 6.957 -16.254 -7.181 1.00 0.00 C ATOM 539 CG ARG A 43 5.677 -16.678 -7.884 1.00 0.00 C ATOM 540 CD ARG A 43 4.503 -16.758 -6.921 1.00 0.00 C ATOM 541 NE ARG A 43 3.804 -18.037 -7.013 1.00 0.00 N ATOM 542 CZ ARG A 43 2.947 -18.481 -6.095 1.00 0.00 C ATOM 543 NH1 ARG A 43 2.680 -17.751 -5.019 1.00 0.00 N ATOM 544 NH2 ARG A 43 2.356 -19.656 -6.256 1.00 0.00 N ATOM 0 H ARG A 43 7.507 -13.974 -7.952 1.00 0.00 H new ATOM 0 HA ARG A 43 5.744 -14.846 -6.076 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.720 -16.048 -7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.320 -17.086 -6.578 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.447 -15.969 -8.679 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.826 -17.649 -8.356 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.860 -16.613 -5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.805 -15.948 -7.132 1.00 0.00 H new ATOM 0 HE ARG A 43 3.982 -18.624 -7.828 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.132 -16.845 -4.892 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.023 -18.096 -4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.558 -20.219 -7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.700 -19.997 -5.554 1.00 0.00 H new ATOM 558 N GLY A 44 6.850 -16.023 -4.081 1.00 0.00 N ATOM 559 CA GLY A 44 7.418 -16.348 -2.782 1.00 0.00 C ATOM 560 C GLY A 44 8.003 -15.145 -2.065 1.00 0.00 C ATOM 561 O GLY A 44 9.132 -15.196 -1.577 1.00 0.00 O ATOM 0 H GLY A 44 5.925 -16.418 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.645 -16.795 -2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.197 -17.099 -2.911 1.00 0.00 H new ATOM 565 N GLN A 45 7.234 -14.065 -1.992 1.00 0.00 N ATOM 566 CA GLN A 45 7.687 -12.854 -1.321 1.00 0.00 C ATOM 567 C GLN A 45 6.598 -12.305 -0.408 1.00 0.00 C ATOM 568 O GLN A 45 5.601 -11.755 -0.875 1.00 0.00 O ATOM 569 CB GLN A 45 8.092 -11.795 -2.346 1.00 0.00 C ATOM 570 CG GLN A 45 8.962 -10.692 -1.767 1.00 0.00 C ATOM 571 CD GLN A 45 9.534 -9.778 -2.832 1.00 0.00 C ATOM 572 OE1 GLN A 45 8.801 -9.235 -3.659 1.00 0.00 O ATOM 573 NE2 GLN A 45 10.850 -9.605 -2.818 1.00 0.00 N ATOM 0 H GLN A 45 6.296 -14.004 -2.388 1.00 0.00 H new ATOM 0 HA GLN A 45 8.556 -13.107 -0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.628 -12.278 -3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.193 -11.351 -2.773 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.373 -10.101 -1.065 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.779 -11.139 -1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.419 -10.075 -2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.293 -9.002 -3.511 1.00 0.00 H new ATOM 582 N VAL A 46 6.794 -12.454 0.898 1.00 0.00 N ATOM 583 CA VAL A 46 5.827 -11.969 1.871 1.00 0.00 C ATOM 584 C VAL A 46 5.819 -10.445 1.900 1.00 0.00 C ATOM 585 O VAL A 46 6.801 -9.806 1.524 1.00 0.00 O ATOM 586 CB VAL A 46 6.131 -12.511 3.279 1.00 0.00 C ATOM 587 CG1 VAL A 46 5.100 -12.017 4.283 1.00 0.00 C ATOM 588 CG2 VAL A 46 6.182 -14.031 3.263 1.00 0.00 C ATOM 0 H VAL A 46 7.613 -12.906 1.305 1.00 0.00 H new ATOM 0 HA VAL A 46 4.844 -12.329 1.567 1.00 0.00 H new ATOM 0 HB VAL A 46 7.107 -12.137 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.335 -12.413 5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.116 -10.928 4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.108 -12.356 3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.398 -14.398 4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.221 -14.424 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.964 -14.362 2.579 1.00 0.00 H new ATOM 598 N VAL A 47 4.708 -9.866 2.338 1.00 0.00 N ATOM 599 CA VAL A 47 4.579 -8.433 2.402 1.00 0.00 C ATOM 600 C VAL A 47 3.723 -8.002 3.589 1.00 0.00 C ATOM 601 O VAL A 47 3.051 -8.823 4.214 1.00 0.00 O ATOM 602 CB VAL A 47 3.970 -7.855 1.105 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.385 -6.410 0.895 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.341 -8.704 -0.104 1.00 0.00 C ATOM 0 H VAL A 47 3.884 -10.378 2.654 1.00 0.00 H new ATOM 0 HA VAL A 47 5.588 -8.039 2.525 1.00 0.00 H new ATOM 0 HB VAL A 47 2.886 -7.879 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.940 -6.034 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.043 -5.807 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.471 -6.350 0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.898 -8.272 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.425 -8.730 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.965 -9.718 0.034 1.00 0.00 H new ATOM 614 N TYR A 48 3.754 -6.708 3.894 1.00 0.00 N ATOM 615 CA TYR A 48 2.983 -6.163 5.005 1.00 0.00 C ATOM 616 C TYR A 48 2.277 -4.874 4.593 1.00 0.00 C ATOM 617 O TYR A 48 2.868 -3.795 4.624 1.00 0.00 O ATOM 618 CB TYR A 48 3.896 -5.895 6.203 1.00 0.00 C ATOM 619 CG TYR A 48 3.935 -7.028 7.204 1.00 0.00 C ATOM 620 CD1 TYR A 48 2.803 -7.378 7.929 1.00 0.00 C ATOM 621 CD2 TYR A 48 5.103 -7.747 7.424 1.00 0.00 C ATOM 622 CE1 TYR A 48 2.834 -8.411 8.846 1.00 0.00 C ATOM 623 CE2 TYR A 48 5.142 -8.782 8.338 1.00 0.00 C ATOM 624 CZ TYR A 48 4.006 -9.110 9.047 1.00 0.00 C ATOM 625 OH TYR A 48 4.042 -10.141 9.958 1.00 0.00 O ATOM 0 H TYR A 48 4.306 -6.017 3.386 1.00 0.00 H new ATOM 0 HA TYR A 48 2.229 -6.897 5.288 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.907 -5.706 5.843 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.562 -4.988 6.707 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.883 -6.834 7.773 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.995 -7.493 6.871 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.945 -8.670 9.402 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.058 -9.332 8.496 1.00 0.00 H new ATOM 0 HH TYR A 48 4.942 -10.529 9.977 1.00 0.00 H new ATOM 635 N VAL A 49 1.010 -4.993 4.210 1.00 0.00 N ATOM 636 CA VAL A 49 0.226 -3.835 3.796 1.00 0.00 C ATOM 637 C VAL A 49 -0.078 -2.932 4.986 1.00 0.00 C ATOM 638 O VAL A 49 -0.513 -3.399 6.038 1.00 0.00 O ATOM 639 CB VAL A 49 -1.097 -4.263 3.131 1.00 0.00 C ATOM 640 CG1 VAL A 49 -1.845 -3.052 2.593 1.00 0.00 C ATOM 641 CG2 VAL A 49 -0.835 -5.271 2.023 1.00 0.00 C ATOM 0 H VAL A 49 0.505 -5.878 4.178 1.00 0.00 H new ATOM 0 HA VAL A 49 0.823 -3.285 3.069 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.722 -4.739 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.776 -3.376 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.068 -2.368 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.228 -2.542 1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.780 -5.562 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.189 -4.822 1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.348 -6.152 2.440 1.00 0.00 H new ATOM 651 N PHE A 50 0.160 -1.637 4.812 1.00 0.00 N ATOM 652 CA PHE A 50 -0.079 -0.667 5.873 1.00 0.00 C ATOM 653 C PHE A 50 -1.202 0.298 5.502 1.00 0.00 C ATOM 654 O PHE A 50 -1.851 0.871 6.376 1.00 0.00 O ATOM 655 CB PHE A 50 1.202 0.115 6.175 1.00 0.00 C ATOM 656 CG PHE A 50 1.887 -0.319 7.439 1.00 0.00 C ATOM 657 CD1 PHE A 50 1.426 0.107 8.674 1.00 0.00 C ATOM 658 CD2 PHE A 50 2.993 -1.153 7.391 1.00 0.00 C ATOM 659 CE1 PHE A 50 2.054 -0.291 9.839 1.00 0.00 C ATOM 660 CE2 PHE A 50 3.625 -1.554 8.553 1.00 0.00 C ATOM 661 CZ PHE A 50 3.156 -1.123 9.778 1.00 0.00 C ATOM 0 H PHE A 50 0.518 -1.235 3.946 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.384 -1.216 6.764 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.893 0.001 5.340 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.962 1.176 6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.566 0.758 8.727 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.365 -1.493 6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.684 0.048 10.796 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.486 -2.204 8.503 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.649 -1.435 10.687 1.00 0.00 H new ATOM 671 N SER A 51 -1.427 0.481 4.202 1.00 0.00 N ATOM 672 CA SER A 51 -2.474 1.386 3.740 1.00 0.00 C ATOM 673 C SER A 51 -3.092 0.895 2.436 1.00 0.00 C ATOM 674 O SER A 51 -2.457 0.172 1.669 1.00 0.00 O ATOM 675 CB SER A 51 -1.909 2.796 3.550 1.00 0.00 C ATOM 676 OG SER A 51 -1.861 3.496 4.780 1.00 0.00 O ATOM 0 H SER A 51 -0.904 0.019 3.458 1.00 0.00 H new ATOM 0 HA SER A 51 -3.255 1.410 4.500 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.908 2.735 3.123 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.526 3.346 2.839 1.00 0.00 H new ATOM 0 HG SER A 51 -1.866 2.855 5.521 1.00 0.00 H new ATOM 682 N LYS A 52 -4.335 1.297 2.193 1.00 0.00 N ATOM 683 CA LYS A 52 -5.044 0.904 0.982 1.00 0.00 C ATOM 684 C LYS A 52 -5.821 2.081 0.403 1.00 0.00 C ATOM 685 O LYS A 52 -7.025 2.212 0.624 1.00 0.00 O ATOM 686 CB LYS A 52 -5.996 -0.256 1.278 1.00 0.00 C ATOM 687 CG LYS A 52 -6.809 -0.065 2.548 1.00 0.00 C ATOM 688 CD LYS A 52 -7.455 -1.367 2.995 1.00 0.00 C ATOM 689 CE LYS A 52 -8.575 -1.784 2.056 1.00 0.00 C ATOM 690 NZ LYS A 52 -9.775 -0.915 2.201 1.00 0.00 N ATOM 0 H LYS A 52 -4.872 1.896 2.820 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.307 0.581 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.677 -0.381 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.419 -1.177 1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.164 0.314 3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.580 0.686 2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.701 -2.153 3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.849 -1.251 4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.219 -1.743 1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.850 -2.819 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.574 -1.338 1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.019 -0.825 3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.571 0.026 1.809 1.00 0.00 H new ATOM 704 N LEU A 53 -5.128 2.935 -0.344 1.00 0.00 N ATOM 705 CA LEU A 53 -5.757 4.100 -0.957 1.00 0.00 C ATOM 706 C LEU A 53 -6.877 3.674 -1.899 1.00 0.00 C ATOM 707 O LEU A 53 -6.661 2.881 -2.814 1.00 0.00 O ATOM 708 CB LEU A 53 -4.717 4.923 -1.720 1.00 0.00 C ATOM 709 CG LEU A 53 -4.930 6.437 -1.679 1.00 0.00 C ATOM 710 CD1 LEU A 53 -3.621 7.167 -1.930 1.00 0.00 C ATOM 711 CD2 LEU A 53 -5.979 6.854 -2.700 1.00 0.00 C ATOM 0 H LEU A 53 -4.131 2.842 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.185 4.714 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.730 4.699 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.714 4.600 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.288 6.708 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.792 8.243 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.898 6.891 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.233 6.891 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.119 7.934 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.648 6.570 -3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.923 6.357 -2.476 1.00 0.00 H new ATOM 723 N LYS A 54 -8.076 4.200 -1.667 1.00 0.00 N ATOM 724 CA LYS A 54 -9.229 3.866 -2.495 1.00 0.00 C ATOM 725 C LYS A 54 -9.891 5.127 -3.046 1.00 0.00 C ATOM 726 O LYS A 54 -9.329 6.220 -2.968 1.00 0.00 O ATOM 727 CB LYS A 54 -10.241 3.054 -1.684 1.00 0.00 C ATOM 728 CG LYS A 54 -10.910 3.850 -0.575 1.00 0.00 C ATOM 729 CD LYS A 54 -12.151 3.144 -0.051 1.00 0.00 C ATOM 730 CE LYS A 54 -13.064 4.104 0.694 1.00 0.00 C ATOM 731 NZ LYS A 54 -14.145 4.635 -0.181 1.00 0.00 N ATOM 0 H LYS A 54 -8.274 4.858 -0.913 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.881 3.267 -3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.007 2.668 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.737 2.192 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.204 4.001 0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.182 4.837 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.694 2.695 -0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.856 2.331 0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.507 3.594 1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.476 4.933 1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.745 5.286 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.723 5.144 -0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.723 3.847 -0.536 1.00 0.00 H new ATOM 745 N GLY A 55 -11.088 4.966 -3.605 1.00 0.00 N ATOM 746 CA GLY A 55 -11.806 6.097 -4.163 1.00 0.00 C ATOM 747 C GLY A 55 -11.029 6.793 -5.263 1.00 0.00 C ATOM 748 O GLY A 55 -11.315 7.942 -5.602 1.00 0.00 O ATOM 0 H GLY A 55 -11.573 4.072 -3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.763 5.756 -4.558 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.025 6.811 -3.369 1.00 0.00 H new ATOM 752 N ARG A 56 -10.044 6.095 -5.826 1.00 0.00 N ATOM 753 CA ARG A 56 -9.218 6.646 -6.898 1.00 0.00 C ATOM 754 C ARG A 56 -7.999 5.764 -7.150 1.00 0.00 C ATOM 755 O ARG A 56 -7.508 5.676 -8.275 1.00 0.00 O ATOM 756 CB ARG A 56 -8.766 8.072 -6.559 1.00 0.00 C ATOM 757 CG ARG A 56 -9.302 9.122 -7.518 1.00 0.00 C ATOM 758 CD ARG A 56 -8.239 10.150 -7.874 1.00 0.00 C ATOM 759 NE ARG A 56 -8.662 11.020 -8.968 1.00 0.00 N ATOM 760 CZ ARG A 56 -8.679 10.648 -10.246 1.00 0.00 C ATOM 761 NH1 ARG A 56 -8.295 9.425 -10.594 1.00 0.00 N ATOM 762 NH2 ARG A 56 -9.080 11.501 -11.179 1.00 0.00 N ATOM 0 H ARG A 56 -9.798 5.143 -5.556 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.824 6.675 -7.803 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.090 8.316 -5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.677 8.110 -6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.659 8.637 -8.427 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.158 9.624 -7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.012 10.756 -6.996 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.319 9.637 -8.154 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.962 11.968 -8.740 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.985 8.765 -9.880 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.310 9.145 -11.575 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.375 12.442 -10.917 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.093 11.216 -12.158 1.00 0.00 H new ATOM 776 N GLY A 57 -7.509 5.119 -6.095 1.00 0.00 N ATOM 777 CA GLY A 57 -6.348 4.260 -6.229 1.00 0.00 C ATOM 778 C GLY A 57 -6.521 2.921 -5.538 1.00 0.00 C ATOM 779 O GLY A 57 -5.546 2.314 -5.097 1.00 0.00 O ATOM 0 H GLY A 57 -7.895 5.176 -5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.146 4.094 -7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.477 4.767 -5.814 1.00 0.00 H new ATOM 783 N ARG A 58 -7.765 2.457 -5.445 1.00 0.00 N ATOM 784 CA ARG A 58 -8.061 1.182 -4.805 1.00 0.00 C ATOM 785 C ARG A 58 -7.178 0.070 -5.366 1.00 0.00 C ATOM 786 O ARG A 58 -6.773 -0.842 -4.644 1.00 0.00 O ATOM 787 CB ARG A 58 -9.535 0.826 -4.996 1.00 0.00 C ATOM 788 CG ARG A 58 -10.094 -0.060 -3.895 1.00 0.00 C ATOM 789 CD ARG A 58 -11.516 -0.501 -4.202 1.00 0.00 C ATOM 790 NE ARG A 58 -11.561 -1.845 -4.775 1.00 0.00 N ATOM 791 CZ ARG A 58 -12.649 -2.611 -4.785 1.00 0.00 C ATOM 792 NH1 ARG A 58 -13.785 -2.172 -4.256 1.00 0.00 N ATOM 793 NH2 ARG A 58 -12.603 -3.821 -5.325 1.00 0.00 N ATOM 0 H ARG A 58 -8.584 2.947 -5.806 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.852 1.281 -3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.119 1.745 -5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.657 0.321 -5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.458 -0.937 -3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.076 0.480 -2.948 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.108 -0.477 -3.287 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.972 0.205 -4.896 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.708 -2.218 -5.192 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.827 -1.242 -3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.615 -2.764 -4.267 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.734 -4.165 -5.733 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.437 -4.408 -5.333 1.00 0.00 H new ATOM 807 N LEU A 59 -6.888 0.154 -6.660 1.00 0.00 N ATOM 808 CA LEU A 59 -6.061 -0.837 -7.329 1.00 0.00 C ATOM 809 C LEU A 59 -4.596 -0.734 -6.902 1.00 0.00 C ATOM 810 O LEU A 59 -3.780 -1.580 -7.264 1.00 0.00 O ATOM 811 CB LEU A 59 -6.173 -0.678 -8.847 1.00 0.00 C ATOM 812 CG LEU A 59 -6.056 0.761 -9.358 1.00 0.00 C ATOM 813 CD1 LEU A 59 -4.855 0.908 -10.277 1.00 0.00 C ATOM 814 CD2 LEU A 59 -7.332 1.180 -10.075 1.00 0.00 C ATOM 0 H LEU A 59 -7.217 0.904 -7.268 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.426 -1.822 -7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.396 -1.279 -9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.131 -1.085 -9.170 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.913 1.417 -8.500 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.790 1.938 -10.629 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.946 0.653 -9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.966 0.239 -11.130 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.230 2.205 -10.431 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.507 0.518 -10.923 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.174 1.118 -9.386 1.00 0.00 H new ATOM 826 N PHE A 60 -4.263 0.304 -6.138 1.00 0.00 N ATOM 827 CA PHE A 60 -2.894 0.502 -5.676 1.00 0.00 C ATOM 828 C PHE A 60 -2.831 0.516 -4.152 1.00 0.00 C ATOM 829 O PHE A 60 -2.953 1.569 -3.525 1.00 0.00 O ATOM 830 CB PHE A 60 -2.326 1.806 -6.239 1.00 0.00 C ATOM 831 CG PHE A 60 -1.007 1.631 -6.936 1.00 0.00 C ATOM 832 CD1 PHE A 60 -0.827 0.613 -7.859 1.00 0.00 C ATOM 833 CD2 PHE A 60 0.050 2.486 -6.670 1.00 0.00 C ATOM 834 CE1 PHE A 60 0.386 0.450 -8.502 1.00 0.00 C ATOM 835 CE2 PHE A 60 1.265 2.327 -7.311 1.00 0.00 C ATOM 836 CZ PHE A 60 1.433 1.308 -8.228 1.00 0.00 C ATOM 0 H PHE A 60 -4.921 1.018 -5.827 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.290 -0.331 -6.037 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.044 2.234 -6.938 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.207 2.522 -5.426 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.643 -0.060 -8.078 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.076 3.285 -5.955 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.515 -0.348 -9.218 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.082 2.999 -7.095 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.381 1.182 -8.730 1.00 0.00 H new ATOM 846 N TRP A 61 -2.638 -0.660 -3.567 1.00 0.00 N ATOM 847 CA TRP A 61 -2.556 -0.789 -2.115 1.00 0.00 C ATOM 848 C TRP A 61 -1.145 -0.486 -1.621 1.00 0.00 C ATOM 849 O TRP A 61 -0.161 -0.865 -2.258 1.00 0.00 O ATOM 850 CB TRP A 61 -2.966 -2.198 -1.685 1.00 0.00 C ATOM 851 CG TRP A 61 -4.450 -2.380 -1.579 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.411 -1.713 -2.283 1.00 0.00 C ATOM 853 CD2 TRP A 61 -5.144 -3.288 -0.716 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.656 -2.149 -1.913 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.522 -3.117 -0.953 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.735 -4.230 0.232 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.490 -3.853 -0.275 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.699 -4.960 0.904 1.00 0.00 C ATOM 859 CH2 TRP A 61 -7.062 -4.768 0.647 1.00 0.00 C ATOM 0 H TRP A 61 -2.535 -1.539 -4.075 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.241 -0.066 -1.671 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.569 -2.918 -2.401 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.510 -2.423 -0.721 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.218 -0.952 -3.024 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.540 -1.808 -2.291 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.686 -4.385 0.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.542 -3.707 -0.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.395 -5.690 1.639 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -7.790 -5.354 1.188 1.00 0.00 H new ATOM 870 N GLY A 62 -1.051 0.194 -0.483 1.00 0.00 N ATOM 871 CA GLY A 62 0.244 0.532 0.076 1.00 0.00 C ATOM 872 C GLY A 62 0.711 -0.484 1.099 1.00 0.00 C ATOM 873 O GLY A 62 -0.075 -0.947 1.925 1.00 0.00 O ATOM 0 H GLY A 62 -1.850 0.517 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.978 0.599 -0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.191 1.516 0.542 1.00 0.00 H new ATOM 877 N GLY A 63 1.992 -0.833 1.044 1.00 0.00 N ATOM 878 CA GLY A 63 2.533 -1.801 1.979 1.00 0.00 C ATOM 879 C GLY A 63 4.047 -1.817 1.994 1.00 0.00 C ATOM 880 O GLY A 63 4.690 -0.838 1.621 1.00 0.00 O ATOM 0 H GLY A 63 2.663 -0.464 0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.166 -1.577 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.166 -2.794 1.720 1.00 0.00 H new ATOM 884 N SER A 64 4.615 -2.937 2.425 1.00 0.00 N ATOM 885 CA SER A 64 6.065 -3.089 2.490 1.00 0.00 C ATOM 886 C SER A 64 6.425 -4.564 2.466 1.00 0.00 C ATOM 887 O SER A 64 5.965 -5.333 3.311 1.00 0.00 O ATOM 888 CB SER A 64 6.620 -2.428 3.757 1.00 0.00 C ATOM 889 OG SER A 64 5.574 -1.951 4.586 1.00 0.00 O ATOM 0 H SER A 64 4.092 -3.756 2.736 1.00 0.00 H new ATOM 0 HA SER A 64 6.510 -2.597 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.227 -3.146 4.309 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.275 -1.602 3.482 1.00 0.00 H new ATOM 0 HG SER A 64 5.955 -1.536 5.387 1.00 0.00 H new ATOM 895 N VAL A 65 7.236 -4.965 1.493 1.00 0.00 N ATOM 896 CA VAL A 65 7.625 -6.345 1.364 1.00 0.00 C ATOM 897 C VAL A 65 8.630 -6.723 2.424 1.00 0.00 C ATOM 898 O VAL A 65 9.445 -5.913 2.868 1.00 0.00 O ATOM 899 CB VAL A 65 8.222 -6.685 -0.017 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.315 -7.640 -0.779 1.00 0.00 C ATOM 901 CG2 VAL A 65 8.503 -5.436 -0.847 1.00 0.00 C ATOM 0 H VAL A 65 7.632 -4.345 0.786 1.00 0.00 H new ATOM 0 HA VAL A 65 6.706 -6.918 1.485 1.00 0.00 H new ATOM 0 HB VAL A 65 9.178 -7.177 0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.757 -7.865 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.199 -8.563 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.339 -7.177 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.922 -5.726 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.574 -4.888 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.214 -4.800 -0.319 1.00 0.00 H new ATOM 911 N GLN A 66 8.548 -7.969 2.813 1.00 0.00 N ATOM 912 CA GLN A 66 9.434 -8.523 3.830 1.00 0.00 C ATOM 913 C GLN A 66 10.184 -9.740 3.297 1.00 0.00 C ATOM 914 O GLN A 66 9.648 -10.518 2.510 1.00 0.00 O ATOM 915 CB GLN A 66 8.639 -8.904 5.079 1.00 0.00 C ATOM 916 CG GLN A 66 7.505 -9.874 4.801 1.00 0.00 C ATOM 917 CD GLN A 66 7.391 -10.953 5.860 1.00 0.00 C ATOM 918 OE1 GLN A 66 6.630 -10.820 6.819 1.00 0.00 O ATOM 919 NE2 GLN A 66 8.148 -12.030 5.692 1.00 0.00 N ATOM 0 H GLN A 66 7.871 -8.635 2.441 1.00 0.00 H new ATOM 0 HA GLN A 66 10.164 -7.758 4.094 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.315 -9.348 5.810 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.231 -8.000 5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.566 -9.324 4.745 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.660 -10.340 3.828 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.765 -12.099 4.882 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.113 -12.789 6.372 1.00 0.00 H new ATOM 928 N GLY A 67 11.430 -9.896 3.734 1.00 0.00 N ATOM 929 CA GLY A 67 12.238 -11.018 3.293 1.00 0.00 C ATOM 930 C GLY A 67 13.719 -10.696 3.284 1.00 0.00 C ATOM 931 O GLY A 67 14.329 -10.571 2.222 1.00 0.00 O ATOM 0 H GLY A 67 11.895 -9.264 4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.058 -11.871 3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.927 -11.314 2.291 1.00 0.00 H new ATOM 1047 N ARG A 76 11.373 -0.254 2.004 1.00 0.00 N ATOM 1048 CA ARG A 76 10.624 0.939 1.628 1.00 0.00 C ATOM 1049 C ARG A 76 9.168 0.591 1.327 1.00 0.00 C ATOM 1050 O ARG A 76 8.882 -0.424 0.693 1.00 0.00 O ATOM 1051 CB ARG A 76 11.268 1.609 0.412 1.00 0.00 C ATOM 1052 CG ARG A 76 11.701 3.044 0.666 1.00 0.00 C ATOM 1053 CD ARG A 76 13.215 3.171 0.719 1.00 0.00 C ATOM 1054 NE ARG A 76 13.657 4.549 0.508 1.00 0.00 N ATOM 1055 CZ ARG A 76 14.895 4.884 0.150 1.00 0.00 C ATOM 1056 NH1 ARG A 76 15.816 3.946 -0.036 1.00 0.00 N ATOM 1057 NH2 ARG A 76 15.211 6.160 -0.023 1.00 0.00 N ATOM 0 HA ARG A 76 10.646 1.635 2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.136 1.026 0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.561 1.593 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.309 3.688 -0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.273 3.393 1.606 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.575 2.819 1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.660 2.527 -0.040 1.00 0.00 H new ATOM 0 HE ARG A 76 12.977 5.297 0.643 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.577 2.963 0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.763 4.208 -0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.506 6.884 0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.159 6.418 -0.297 1.00 0.00 H new ATOM 1071 N LEU A 77 8.254 1.439 1.785 1.00 0.00 N ATOM 1072 CA LEU A 77 6.829 1.217 1.564 1.00 0.00 C ATOM 1073 C LEU A 77 6.477 1.371 0.088 1.00 0.00 C ATOM 1074 O LEU A 77 6.704 2.423 -0.509 1.00 0.00 O ATOM 1075 CB LEU A 77 6.000 2.193 2.402 1.00 0.00 C ATOM 1076 CG LEU A 77 4.520 1.834 2.542 1.00 0.00 C ATOM 1077 CD1 LEU A 77 4.310 0.880 3.709 1.00 0.00 C ATOM 1078 CD2 LEU A 77 3.683 3.091 2.723 1.00 0.00 C ATOM 0 H LEU A 77 8.473 2.285 2.311 1.00 0.00 H new ATOM 0 HA LEU A 77 6.595 0.198 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.438 2.255 3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.077 3.185 1.957 1.00 0.00 H new ATOM 0 HG LEU A 77 4.198 1.334 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.251 0.636 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.881 -0.033 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.648 1.353 4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.632 2.818 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.006 3.617 3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.810 3.740 1.857 1.00 0.00 H new ATOM 1090 N GLY A 78 5.919 0.315 -0.495 1.00 0.00 N ATOM 1091 CA GLY A 78 5.544 0.353 -1.897 1.00 0.00 C ATOM 1092 C GLY A 78 4.042 0.309 -2.097 1.00 0.00 C ATOM 1093 O GLY A 78 3.302 -0.105 -1.203 1.00 0.00 O ATOM 0 H GLY A 78 5.720 -0.566 -0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.942 1.260 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.001 -0.490 -2.415 1.00 0.00 H new ATOM 1097 N TYR A 79 3.590 0.735 -3.271 1.00 0.00 N ATOM 1098 CA TYR A 79 2.165 0.743 -3.586 1.00 0.00 C ATOM 1099 C TYR A 79 1.880 -0.091 -4.831 1.00 0.00 C ATOM 1100 O TYR A 79 2.390 0.198 -5.913 1.00 0.00 O ATOM 1101 CB TYR A 79 1.676 2.176 -3.794 1.00 0.00 C ATOM 1102 CG TYR A 79 1.965 3.089 -2.624 1.00 0.00 C ATOM 1103 CD1 TYR A 79 3.248 3.569 -2.394 1.00 0.00 C ATOM 1104 CD2 TYR A 79 0.956 3.470 -1.749 1.00 0.00 C ATOM 1105 CE1 TYR A 79 3.517 4.404 -1.325 1.00 0.00 C ATOM 1106 CE2 TYR A 79 1.215 4.304 -0.678 1.00 0.00 C ATOM 1107 CZ TYR A 79 2.497 4.767 -0.471 1.00 0.00 C ATOM 1108 OH TYR A 79 2.761 5.598 0.594 1.00 0.00 O ATOM 0 H TYR A 79 4.189 1.080 -4.021 1.00 0.00 H new ATOM 0 HA TYR A 79 1.629 0.303 -2.745 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.146 2.585 -4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.601 2.162 -3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.049 3.285 -3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.049 3.108 -1.908 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.520 4.770 -1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.418 4.591 -0.008 1.00 0.00 H new ATOM 0 HH TYR A 79 1.935 5.758 1.097 1.00 0.00 H new ATOM 1118 N PHE A 80 1.064 -1.129 -4.671 1.00 0.00 N ATOM 1119 CA PHE A 80 0.716 -2.003 -5.785 1.00 0.00 C ATOM 1120 C PHE A 80 -0.578 -2.765 -5.504 1.00 0.00 C ATOM 1121 O PHE A 80 -0.947 -2.974 -4.348 1.00 0.00 O ATOM 1122 CB PHE A 80 1.854 -2.989 -6.058 1.00 0.00 C ATOM 1123 CG PHE A 80 2.172 -3.876 -4.889 1.00 0.00 C ATOM 1124 CD1 PHE A 80 3.102 -3.484 -3.939 1.00 0.00 C ATOM 1125 CD2 PHE A 80 1.540 -5.099 -4.738 1.00 0.00 C ATOM 1126 CE1 PHE A 80 3.396 -4.297 -2.861 1.00 0.00 C ATOM 1127 CE2 PHE A 80 1.829 -5.916 -3.662 1.00 0.00 C ATOM 1128 CZ PHE A 80 2.759 -5.515 -2.723 1.00 0.00 C ATOM 0 H PHE A 80 0.633 -1.384 -3.783 1.00 0.00 H new ATOM 0 HA PHE A 80 0.561 -1.380 -6.666 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.588 -3.610 -6.913 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.749 -2.431 -6.335 1.00 0.00 H new ATOM 0 HD1 PHE A 80 3.602 -2.533 -4.042 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.813 -5.418 -5.470 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.123 -3.981 -2.127 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.328 -6.867 -3.555 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.988 -6.153 -1.882 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.285 -3.195 -6.564 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.541 -3.940 -6.430 1.00 0.00 C ATOM 1140 C PRO A 81 -2.370 -5.223 -5.624 1.00 0.00 C ATOM 1141 O PRO A 81 -1.355 -5.908 -5.737 1.00 0.00 O ATOM 1142 CB PRO A 81 -2.936 -4.266 -7.878 1.00 0.00 C ATOM 1143 CG PRO A 81 -1.692 -4.068 -8.677 1.00 0.00 C ATOM 1144 CD PRO A 81 -0.917 -2.994 -7.974 1.00 0.00 C ATOM 0 HA PRO A 81 -3.294 -3.362 -5.895 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.302 -5.289 -7.966 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.735 -3.611 -8.225 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.115 -4.991 -8.736 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.928 -3.774 -9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.156 -3.101 -8.131 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.193 -2.000 -8.326 1.00 0.00 H new ATOM 1152 N SER A 82 -3.372 -5.540 -4.811 1.00 0.00 N ATOM 1153 CA SER A 82 -3.337 -6.741 -3.986 1.00 0.00 C ATOM 1154 C SER A 82 -3.599 -7.995 -4.819 1.00 0.00 C ATOM 1155 O SER A 82 -3.343 -9.113 -4.371 1.00 0.00 O ATOM 1156 CB SER A 82 -4.368 -6.636 -2.858 1.00 0.00 C ATOM 1157 OG SER A 82 -3.752 -6.774 -1.590 1.00 0.00 O ATOM 0 H SER A 82 -4.219 -4.981 -4.706 1.00 0.00 H new ATOM 0 HA SER A 82 -2.339 -6.824 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.878 -5.674 -2.915 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.128 -7.407 -2.983 1.00 0.00 H new ATOM 0 HG SER A 82 -4.020 -6.029 -1.013 1.00 0.00 H new ATOM 1163 N SER A 83 -4.118 -7.805 -6.029 1.00 0.00 N ATOM 1164 CA SER A 83 -4.420 -8.917 -6.918 1.00 0.00 C ATOM 1165 C SER A 83 -3.197 -9.803 -7.151 1.00 0.00 C ATOM 1166 O SER A 83 -3.332 -10.973 -7.512 1.00 0.00 O ATOM 1167 CB SER A 83 -4.945 -8.394 -8.256 1.00 0.00 C ATOM 1168 OG SER A 83 -6.073 -7.557 -8.071 1.00 0.00 O ATOM 0 H SER A 83 -4.338 -6.887 -6.415 1.00 0.00 H new ATOM 0 HA SER A 83 -5.187 -9.524 -6.437 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.158 -7.840 -8.767 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.213 -9.233 -8.898 1.00 0.00 H new ATOM 0 HG SER A 83 -6.388 -7.235 -8.941 1.00 0.00 H new ATOM 1174 N ILE A 84 -2.007 -9.243 -6.954 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.772 -9.993 -7.158 1.00 0.00 C ATOM 1176 C ILE A 84 -0.190 -10.494 -5.835 1.00 0.00 C ATOM 1177 O ILE A 84 1.012 -10.737 -5.728 1.00 0.00 O ATOM 1178 CB ILE A 84 0.284 -9.145 -7.899 1.00 0.00 C ATOM 1179 CG1 ILE A 84 1.396 -10.040 -8.451 1.00 0.00 C ATOM 1180 CG2 ILE A 84 0.860 -8.072 -6.985 1.00 0.00 C ATOM 1181 CD1 ILE A 84 1.179 -10.453 -9.891 1.00 0.00 C ATOM 0 H ILE A 84 -1.872 -8.277 -6.655 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.028 -10.856 -7.773 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.205 -8.646 -8.735 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.348 -9.515 -8.371 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.473 -10.934 -7.832 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.601 -7.489 -7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.059 -7.415 -6.646 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.332 -8.543 -6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.005 -11.086 -10.216 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.244 -11.006 -9.974 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.132 -9.565 -10.521 1.00 0.00 H new ATOM 1193 N VAL A 85 -1.049 -10.653 -4.833 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.617 -11.133 -3.524 1.00 0.00 C ATOM 1195 C VAL A 85 -1.716 -11.954 -2.858 1.00 0.00 C ATOM 1196 O VAL A 85 -2.868 -11.937 -3.291 1.00 0.00 O ATOM 1197 CB VAL A 85 -0.228 -9.972 -2.587 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.200 -9.520 -2.852 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -1.198 -8.810 -2.732 1.00 0.00 C ATOM 0 H VAL A 85 -2.048 -10.457 -4.902 1.00 0.00 H new ATOM 0 HA VAL A 85 0.261 -11.757 -3.694 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.285 -10.333 -1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.453 -8.700 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.883 -10.353 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.289 -9.183 -3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.903 -8.003 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.183 -8.450 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.205 -9.143 -2.478 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.352 -12.668 -1.800 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.302 -13.494 -1.068 1.00 0.00 C ATOM 1211 C ARG A 86 -2.199 -13.236 0.431 1.00 0.00 C ATOM 1212 O ARG A 86 -1.247 -13.669 1.082 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.056 -14.976 -1.361 1.00 0.00 C ATOM 1214 CG ARG A 86 -3.144 -15.892 -0.824 1.00 0.00 C ATOM 1215 CD ARG A 86 -4.091 -16.341 -1.925 1.00 0.00 C ATOM 1216 NE ARG A 86 -5.330 -15.567 -1.930 1.00 0.00 N ATOM 1217 CZ ARG A 86 -6.240 -15.618 -0.959 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -6.051 -16.403 0.096 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -7.340 -14.884 -1.043 1.00 0.00 N ATOM 0 H ARG A 86 -0.402 -12.691 -1.429 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.307 -13.230 -1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.974 -15.116 -2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.100 -15.269 -0.928 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.688 -16.765 -0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.707 -15.373 -0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.597 -16.241 -2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.324 -17.398 -1.794 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.509 -14.952 -2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.206 -16.970 0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.751 -16.439 0.837 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.490 -14.280 -1.851 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.037 -14.923 -0.299 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.180 -12.523 0.972 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.198 -12.203 2.395 1.00 0.00 C ATOM 1235 C GLU A 87 -3.443 -13.452 3.232 1.00 0.00 C ATOM 1236 O GLU A 87 -4.506 -14.067 3.153 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.272 -11.156 2.691 1.00 0.00 C ATOM 1238 CG GLU A 87 -4.138 -9.893 1.855 1.00 0.00 C ATOM 1239 CD GLU A 87 -5.478 -9.358 1.390 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -6.260 -8.891 2.244 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -5.746 -9.406 0.171 1.00 0.00 O ATOM 0 H GLU A 87 -3.974 -12.155 0.447 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.222 -11.797 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.254 -11.595 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.226 -10.889 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.628 -9.127 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.513 -10.101 0.987 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.451 -13.819 4.035 1.00 0.00 N ATOM 1249 CA ASP A 88 -2.557 -14.993 4.890 1.00 0.00 C ATOM 1250 C ASP A 88 -2.854 -14.589 6.326 1.00 0.00 C ATOM 1251 O ASP A 88 -3.776 -15.108 6.955 1.00 0.00 O ATOM 1252 CB ASP A 88 -1.267 -15.813 4.832 1.00 0.00 C ATOM 1253 CG ASP A 88 -1.534 -17.305 4.767 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -2.294 -17.734 3.873 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -0.983 -18.044 5.609 1.00 0.00 O ATOM 0 H ASP A 88 -1.565 -13.320 4.111 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.381 -15.606 4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.687 -15.512 3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.660 -15.593 5.710 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.061 -13.663 6.833 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.211 -13.178 8.187 1.00 0.00 C ATOM 1262 C GLN A 89 -2.865 -11.803 8.190 1.00 0.00 C ATOM 1263 O GLN A 89 -2.700 -11.028 7.247 1.00 0.00 O ATOM 1264 CB GLN A 89 -0.838 -13.106 8.829 1.00 0.00 C ATOM 1265 CG GLN A 89 -0.868 -13.018 10.346 1.00 0.00 C ATOM 1266 CD GLN A 89 0.201 -13.871 11.000 1.00 0.00 C ATOM 1267 OE1 GLN A 89 0.451 -15.002 10.583 1.00 0.00 O ATOM 1268 NE2 GLN A 89 0.837 -13.333 12.034 1.00 0.00 N ATOM 0 H GLN A 89 -1.297 -13.228 6.316 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.850 -13.857 8.751 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.266 -13.987 8.538 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.309 -12.238 8.435 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.735 -11.979 10.649 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.848 -13.332 10.705 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.598 -12.392 12.346 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.565 -13.861 12.516 1.00 0.00 H new ATOM 1277 N THR A 90 -3.605 -11.499 9.248 1.00 0.00 N ATOM 1278 CA THR A 90 -4.272 -10.211 9.350 1.00 0.00 C ATOM 1279 C THR A 90 -4.162 -9.632 10.751 1.00 0.00 C ATOM 1280 O THR A 90 -4.100 -10.362 11.742 1.00 0.00 O ATOM 1281 CB THR A 90 -5.740 -10.326 8.954 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.346 -11.443 9.581 1.00 0.00 O ATOM 1283 CG2 THR A 90 -5.951 -10.461 7.462 1.00 0.00 C ATOM 0 H THR A 90 -3.757 -12.122 10.041 1.00 0.00 H new ATOM 0 HA THR A 90 -3.769 -9.534 8.660 1.00 0.00 H new ATOM 0 HB THR A 90 -6.200 -9.394 9.284 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.288 -11.497 9.315 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.018 -10.538 7.251 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.543 -9.586 6.956 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.444 -11.357 7.102 1.00 0.00 H new ATOM 1291 N LEU A 91 -4.141 -8.309 10.818 1.00 0.00 N ATOM 1292 CA LEU A 91 -4.042 -7.599 12.084 1.00 0.00 C ATOM 1293 C LEU A 91 -4.710 -6.231 11.982 1.00 0.00 C ATOM 1294 O LEU A 91 -4.373 -5.308 12.722 1.00 0.00 O ATOM 1295 CB LEU A 91 -2.572 -7.437 12.479 1.00 0.00 C ATOM 1296 CG LEU A 91 -2.335 -6.947 13.911 1.00 0.00 C ATOM 1297 CD1 LEU A 91 -1.506 -7.954 14.694 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -1.654 -5.585 13.905 1.00 0.00 C ATOM 0 H LEU A 91 -4.192 -7.700 10.001 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.555 -8.180 12.851 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.070 -8.396 12.352 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.101 -6.737 11.789 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.303 -6.846 14.401 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.349 -7.586 15.708 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.032 -8.908 14.731 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.542 -8.090 14.205 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.494 -5.254 14.931 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.694 -5.660 13.394 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.286 -4.865 13.385 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.654 -6.109 11.049 1.00 0.00 N ATOM 1311 CA LYS A 92 -6.372 -4.856 10.829 1.00 0.00 C ATOM 1312 C LYS A 92 -6.948 -4.295 12.130 1.00 0.00 C ATOM 1313 O LYS A 92 -7.953 -4.793 12.636 1.00 0.00 O ATOM 1314 CB LYS A 92 -7.499 -5.071 9.817 1.00 0.00 C ATOM 1315 CG LYS A 92 -7.166 -4.566 8.422 1.00 0.00 C ATOM 1316 CD LYS A 92 -7.550 -5.578 7.354 1.00 0.00 C ATOM 1317 CE LYS A 92 -8.992 -5.395 6.907 1.00 0.00 C ATOM 1318 NZ LYS A 92 -9.283 -3.983 6.536 1.00 0.00 N ATOM 0 H LYS A 92 -5.940 -6.868 10.431 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.658 -4.131 10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.731 -6.135 9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -8.397 -4.566 10.173 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.689 -3.627 8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.099 -4.354 8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.886 -5.473 6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.413 -6.588 7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.193 -6.043 6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -9.663 -5.706 7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.078 -3.957 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.532 -3.444 7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.443 -3.560 6.093 1.00 0.00 H new ATOM 1332 N PRO A 93 -6.323 -3.239 12.684 1.00 0.00 N ATOM 1333 CA PRO A 93 -6.786 -2.609 13.916 1.00 0.00 C ATOM 1334 C PRO A 93 -7.844 -1.540 13.651 1.00 0.00 C ATOM 1335 O PRO A 93 -8.858 -1.468 14.346 1.00 0.00 O ATOM 1336 CB PRO A 93 -5.509 -1.981 14.464 1.00 0.00 C ATOM 1337 CG PRO A 93 -4.717 -1.614 13.253 1.00 0.00 C ATOM 1338 CD PRO A 93 -5.121 -2.569 12.152 1.00 0.00 C ATOM 0 HA PRO A 93 -7.264 -3.313 14.597 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.729 -1.105 15.074 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.963 -2.681 15.097 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.916 -0.583 12.961 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.648 -1.688 13.454 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.337 -2.040 11.224 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.329 -3.285 11.934 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.603 -0.716 12.633 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.539 0.334 12.280 1.00 0.00 C ATOM 1348 C GLY A 94 -8.781 0.401 10.784 1.00 0.00 C ATOM 1349 O GLY A 94 -7.993 -0.129 10.000 1.00 0.00 O ATOM 0 H GLY A 94 -6.771 -0.759 12.045 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.485 0.163 12.793 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.156 1.293 12.629 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.863 1.058 10.384 1.00 0.00 N ATOM 1354 CA LYS A 95 -10.195 1.197 8.983 1.00 0.00 C ATOM 1355 C LYS A 95 -10.979 2.481 8.739 1.00 0.00 C ATOM 1356 O LYS A 95 -12.039 2.467 8.115 1.00 0.00 O ATOM 1357 CB LYS A 95 -10.990 -0.015 8.493 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.193 -0.344 9.362 1.00 0.00 C ATOM 1359 CD LYS A 95 -12.621 -1.794 9.196 1.00 0.00 C ATOM 1360 CE LYS A 95 -12.997 -2.420 10.530 1.00 0.00 C ATOM 1361 NZ LYS A 95 -11.797 -2.859 11.295 1.00 0.00 N ATOM 0 H LYS A 95 -10.525 1.503 11.019 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.264 1.250 8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.328 0.171 7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.330 -0.882 8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.951 -0.152 10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -13.022 0.313 9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.470 -1.848 8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.811 -2.364 8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.562 -1.700 11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.651 -3.275 10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.096 -3.280 12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.271 -3.565 10.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.185 -2.039 11.481 1.00 0.00 H new ATOM 1375 N VAL A 96 -10.451 3.588 9.242 1.00 0.00 N ATOM 1376 CA VAL A 96 -11.100 4.881 9.084 1.00 0.00 C ATOM 1377 C VAL A 96 -10.601 5.580 7.831 1.00 0.00 C ATOM 1378 O VAL A 96 -9.415 5.532 7.509 1.00 0.00 O ATOM 1379 CB VAL A 96 -10.859 5.796 10.298 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -11.798 6.992 10.260 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -11.027 5.021 11.597 1.00 0.00 C ATOM 0 H VAL A 96 -9.575 3.616 9.763 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.170 4.690 9.001 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.834 6.164 10.252 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.613 7.627 11.126 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.624 7.562 9.348 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.831 6.644 10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.852 5.686 12.443 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -12.039 4.620 11.653 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.310 4.201 11.627 1.00 0.00 H new ATOM 1391 N ASP A 97 -11.516 6.223 7.125 1.00 0.00 N ATOM 1392 CA ASP A 97 -11.182 6.927 5.901 1.00 0.00 C ATOM 1393 C ASP A 97 -10.493 8.251 6.200 1.00 0.00 C ATOM 1394 O ASP A 97 -10.700 8.856 7.251 1.00 0.00 O ATOM 1395 CB ASP A 97 -12.441 7.167 5.068 1.00 0.00 C ATOM 1396 CG ASP A 97 -12.125 7.635 3.662 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -11.991 8.860 3.460 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -12.012 6.776 2.762 1.00 0.00 O ATOM 0 H ASP A 97 -12.502 6.271 7.382 1.00 0.00 H new ATOM 0 HA ASP A 97 -10.491 6.305 5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -13.022 6.246 5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -13.065 7.911 5.564 1.00 0.00 H new ATOM 1403 N VAL A 98 -9.672 8.686 5.258 1.00 0.00 N ATOM 1404 CA VAL A 98 -8.934 9.934 5.390 1.00 0.00 C ATOM 1405 C VAL A 98 -8.793 10.624 4.039 1.00 0.00 C ATOM 1406 O VAL A 98 -8.009 10.196 3.191 1.00 0.00 O ATOM 1407 CB VAL A 98 -7.533 9.694 5.982 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -6.855 11.015 6.311 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -7.622 8.809 7.216 1.00 0.00 C ATOM 0 H VAL A 98 -9.498 8.188 4.385 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.500 10.574 6.067 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.927 9.180 5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.866 10.823 6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.756 11.609 5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -7.456 11.561 7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.623 8.649 7.622 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.246 9.294 7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.061 7.849 6.944 1.00 0.00 H new ATOM 1419 N LYS A 99 -9.561 11.689 3.839 1.00 0.00 N ATOM 1420 CA LYS A 99 -9.525 12.432 2.586 1.00 0.00 C ATOM 1421 C LYS A 99 -8.137 13.009 2.328 1.00 0.00 C ATOM 1422 O LYS A 99 -7.485 13.520 3.239 1.00 0.00 O ATOM 1423 CB LYS A 99 -10.561 13.558 2.606 1.00 0.00 C ATOM 1424 CG LYS A 99 -10.391 14.520 3.771 1.00 0.00 C ATOM 1425 CD LYS A 99 -11.387 15.666 3.698 1.00 0.00 C ATOM 1426 CE LYS A 99 -11.038 16.636 2.580 1.00 0.00 C ATOM 1427 NZ LYS A 99 -12.255 17.192 1.928 1.00 0.00 N ATOM 0 H LYS A 99 -10.216 12.057 4.529 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.764 11.739 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.497 14.116 1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.559 13.122 2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.522 13.982 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.376 14.918 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.389 15.269 3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.403 16.197 4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.436 17.452 2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.427 16.126 1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.974 17.848 1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.817 16.416 1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.825 17.700 2.634 1.00 0.00 H new ATOM 1441 N THR A 100 -7.693 12.925 1.078 1.00 0.00 N ATOM 1442 CA THR A 100 -6.386 13.438 0.692 1.00 0.00 C ATOM 1443 C THR A 100 -6.439 14.951 0.494 1.00 0.00 C ATOM 1444 O THR A 100 -7.519 15.536 0.413 1.00 0.00 O ATOM 1445 CB THR A 100 -5.915 12.754 -0.593 1.00 0.00 C ATOM 1446 OG1 THR A 100 -5.946 11.344 -0.449 1.00 0.00 O ATOM 1447 CG2 THR A 100 -4.512 13.141 -1.004 1.00 0.00 C ATOM 0 H THR A 100 -8.222 12.505 0.314 1.00 0.00 H new ATOM 0 HA THR A 100 -5.678 13.221 1.491 1.00 0.00 H new ATOM 0 HB THR A 100 -6.606 13.091 -1.366 1.00 0.00 H new ATOM 0 HG1 THR A 100 -6.158 10.932 -1.312 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.245 12.618 -1.923 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.466 14.217 -1.172 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.813 12.867 -0.214 1.00 0.00 H new