USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 852 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 73 THR OG1 : rot 142:sc= -4.09! USER MOD Set 1.2: A 77 GLN : amide:sc= 0.502 K(o=-5.9,f=-8) USER MOD Set 1.3: A 79 HIS : no HD1:sc= -2.32! C(o=-5.9!,f=-16!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -152:sc= -2.42! (180deg=-3.78!) USER MOD Single : A 14 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.152) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 19 ASN :FLIP amide:sc= -3.84! C(o=-7.8!,f=-3.8!) USER MOD Single : A 20 THR OG1 : rot -68:sc= -0.457 USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.154 (180deg=-0.849) USER MOD Single : A 24 MET CE :methyl -176:sc= -6.12! (180deg=-6.24!) USER MOD Single : A 36 TYR OH : rot -164:sc= 0.332 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -1.04 USER MOD Single : A 42 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -169:sc= -0.0121 (180deg=-0.166) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -46:sc= -0.186 USER MOD Single : A 54 THR OG1 : rot 38:sc= -2.93! USER MOD Single : A 56 THR OG1 : rot -169:sc= 0 USER MOD Single : A 57 SER OG : rot -17:sc= 0.882! USER MOD Single : A 59 CYS SG : rot 180:sc= -1.71 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -81:sc= 0.637 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0694 X(o=-0.069,f=-0.42) USER MOD Single : A 82 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.062) USER MOD Single : A 97 ASN : amide:sc=-0.00307 X(o=-0.0031,f=-0.0031) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -9.117 7.409 3.211 1.00 0.00 N ATOM 72 CA ARG A 5 -7.672 7.262 3.551 1.00 0.00 C ATOM 73 C ARG A 5 -7.545 6.685 4.963 1.00 0.00 C ATOM 74 O ARG A 5 -7.438 7.410 5.932 1.00 0.00 O ATOM 75 CB ARG A 5 -6.992 8.632 3.492 1.00 0.00 C ATOM 76 CG ARG A 5 -5.761 8.562 2.589 1.00 0.00 C ATOM 77 CD ARG A 5 -4.879 9.785 2.845 1.00 0.00 C ATOM 78 NE ARG A 5 -4.646 10.509 1.562 1.00 0.00 N ATOM 79 CZ ARG A 5 -4.911 11.783 1.475 1.00 0.00 C ATOM 80 NH1 ARG A 5 -4.236 12.641 2.190 1.00 0.00 N ATOM 81 NH2 ARG A 5 -5.851 12.202 0.670 1.00 0.00 N ATOM 0 HA ARG A 5 -7.192 6.592 2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -7.690 9.378 3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -6.701 8.947 4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.202 7.648 2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.064 8.530 1.543 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.358 10.447 3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -3.928 9.476 3.278 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.279 10.008 0.753 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.501 12.315 2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.444 13.637 2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.378 11.533 0.109 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.058 13.199 0.602 1.00 0.00 H new ATOM 95 N ILE A 6 -7.562 5.386 5.087 1.00 0.00 N ATOM 96 CA ILE A 6 -7.450 4.762 6.436 1.00 0.00 C ATOM 97 C ILE A 6 -6.057 5.016 7.016 1.00 0.00 C ATOM 98 O ILE A 6 -5.911 5.352 8.174 1.00 0.00 O ATOM 99 CB ILE A 6 -7.686 3.255 6.324 1.00 0.00 C ATOM 100 CG1 ILE A 6 -9.135 2.997 5.902 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.426 2.595 7.679 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.319 1.509 5.593 1.00 0.00 C ATOM 0 H ILE A 6 -7.649 4.729 4.312 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.198 5.202 7.095 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.009 2.836 5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.816 3.301 6.697 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.381 3.595 5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.594 1.521 7.599 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.395 2.779 7.982 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.103 3.014 8.424 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.350 1.325 5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.648 1.220 4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.090 0.922 6.482 1.00 0.00 H new ATOM 114 N ARG A 7 -5.030 4.851 6.227 1.00 0.00 N ATOM 115 CA ARG A 7 -3.654 5.080 6.751 1.00 0.00 C ATOM 116 C ARG A 7 -2.915 6.091 5.873 1.00 0.00 C ATOM 117 O ARG A 7 -3.147 6.186 4.684 1.00 0.00 O ATOM 118 CB ARG A 7 -2.877 3.768 6.745 1.00 0.00 C ATOM 119 CG ARG A 7 -1.711 3.875 7.720 1.00 0.00 C ATOM 120 CD ARG A 7 -2.105 3.234 9.044 1.00 0.00 C ATOM 121 NE ARG A 7 -2.864 4.216 9.868 1.00 0.00 N ATOM 122 CZ ARG A 7 -3.235 3.903 11.079 1.00 0.00 C ATOM 123 NH1 ARG A 7 -3.522 2.664 11.374 1.00 0.00 N ATOM 124 NH2 ARG A 7 -3.317 4.828 11.996 1.00 0.00 N ATOM 0 H ARG A 7 -5.084 4.569 5.248 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.730 5.466 7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.530 2.943 7.029 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.510 3.553 5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.831 3.379 7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.445 4.921 7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.714 2.348 8.864 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.214 2.906 9.580 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.094 5.133 9.485 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.456 1.941 10.658 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.812 2.419 12.321 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.091 5.796 11.766 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.607 4.583 12.943 1.00 0.00 H new ATOM 138 N GLU A 8 -2.011 6.831 6.451 1.00 0.00 N ATOM 139 CA GLU A 8 -1.235 7.822 5.656 1.00 0.00 C ATOM 140 C GLU A 8 0.035 8.186 6.414 1.00 0.00 C ATOM 141 O GLU A 8 -0.006 8.663 7.531 1.00 0.00 O ATOM 142 CB GLU A 8 -2.062 9.083 5.415 1.00 0.00 C ATOM 143 CG GLU A 8 -2.873 9.424 6.665 1.00 0.00 C ATOM 144 CD GLU A 8 -4.076 8.485 6.770 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.941 8.565 5.914 1.00 0.00 O ATOM 146 OE2 GLU A 8 -4.109 7.700 7.703 1.00 0.00 O ATOM 0 H GLU A 8 -1.776 6.792 7.443 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.982 7.382 4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.406 9.915 5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.731 8.933 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.248 9.330 7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.210 10.460 6.620 1.00 0.00 H new ATOM 153 N GLY A 9 1.163 7.962 5.813 1.00 0.00 N ATOM 154 CA GLY A 9 2.445 8.289 6.487 1.00 0.00 C ATOM 155 C GLY A 9 3.541 8.446 5.436 1.00 0.00 C ATOM 156 O GLY A 9 3.304 8.920 4.344 1.00 0.00 O ATOM 0 H GLY A 9 1.254 7.564 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.342 9.209 7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.711 7.501 7.191 1.00 0.00 H new ATOM 160 N TYR A 10 4.738 8.053 5.759 1.00 0.00 N ATOM 161 CA TYR A 10 5.854 8.184 4.782 1.00 0.00 C ATOM 162 C TYR A 10 6.785 6.974 4.875 1.00 0.00 C ATOM 163 O TYR A 10 7.607 6.878 5.765 1.00 0.00 O ATOM 164 CB TYR A 10 6.651 9.452 5.095 1.00 0.00 C ATOM 165 CG TYR A 10 7.011 9.472 6.563 1.00 0.00 C ATOM 166 CD1 TYR A 10 6.027 9.752 7.519 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.327 9.212 6.966 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.359 9.770 8.881 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.659 9.231 8.327 1.00 0.00 C ATOM 170 CZ TYR A 10 7.676 9.511 9.285 1.00 0.00 C ATOM 171 OH TYR A 10 8.003 9.530 10.625 1.00 0.00 O ATOM 0 H TYR A 10 4.994 7.646 6.658 1.00 0.00 H new ATOM 0 HA TYR A 10 5.439 8.239 3.776 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.555 9.485 4.487 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.064 10.335 4.842 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.013 9.954 7.207 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.086 8.997 6.228 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.600 9.983 9.619 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.674 9.030 8.638 1.00 0.00 H new ATOM 0 HH TYR A 10 8.956 9.329 10.732 1.00 0.00 H new ATOM 181 N LEU A 11 6.679 6.058 3.951 1.00 0.00 N ATOM 182 CA LEU A 11 7.577 4.868 3.978 1.00 0.00 C ATOM 183 C LEU A 11 8.433 4.888 2.713 1.00 0.00 C ATOM 184 O LEU A 11 8.191 5.657 1.812 1.00 0.00 O ATOM 185 CB LEU A 11 6.754 3.571 4.021 1.00 0.00 C ATOM 186 CG LEU A 11 5.722 3.606 5.162 1.00 0.00 C ATOM 187 CD1 LEU A 11 6.253 4.392 6.364 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.437 4.256 4.654 1.00 0.00 C ATOM 0 H LEU A 11 6.011 6.082 3.180 1.00 0.00 H new ATOM 0 HA LEU A 11 8.205 4.904 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.243 3.429 3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.420 2.719 4.155 1.00 0.00 H new ATOM 0 HG LEU A 11 5.526 2.584 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.502 4.400 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.164 3.921 6.733 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.471 5.416 6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.701 4.284 5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.650 5.272 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.041 3.677 3.820 1.00 0.00 H new ATOM 200 N VAL A 12 9.436 4.060 2.637 1.00 0.00 N ATOM 201 CA VAL A 12 10.302 4.061 1.422 1.00 0.00 C ATOM 202 C VAL A 12 9.921 2.890 0.509 1.00 0.00 C ATOM 203 O VAL A 12 9.758 1.773 0.952 1.00 0.00 O ATOM 204 CB VAL A 12 11.767 3.939 1.850 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.890 2.892 2.958 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.621 3.518 0.653 1.00 0.00 C ATOM 0 H VAL A 12 9.694 3.386 3.358 1.00 0.00 H new ATOM 0 HA VAL A 12 10.161 4.992 0.873 1.00 0.00 H new ATOM 0 HB VAL A 12 12.115 4.903 2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.933 2.805 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.286 3.195 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.539 1.929 2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.663 3.432 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.273 2.555 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.536 4.266 -0.135 1.00 0.00 H new ATOM 216 N LYS A 13 9.779 3.141 -0.766 1.00 0.00 N ATOM 217 CA LYS A 13 9.409 2.042 -1.704 1.00 0.00 C ATOM 218 C LYS A 13 10.392 2.010 -2.880 1.00 0.00 C ATOM 219 O LYS A 13 10.681 3.022 -3.487 1.00 0.00 O ATOM 220 CB LYS A 13 7.991 2.286 -2.234 1.00 0.00 C ATOM 221 CG LYS A 13 7.223 0.964 -2.273 1.00 0.00 C ATOM 222 CD LYS A 13 5.776 1.223 -2.704 1.00 0.00 C ATOM 223 CE LYS A 13 4.848 0.220 -2.016 1.00 0.00 C ATOM 224 NZ LYS A 13 4.107 0.900 -0.917 1.00 0.00 N ATOM 0 H LYS A 13 9.903 4.057 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 13 9.448 1.089 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.472 3.001 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.035 2.722 -3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.702 0.274 -2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.242 0.492 -1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.485 2.241 -2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.687 1.133 -3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.146 -0.197 -2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.427 -0.613 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.866 0.207 -0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.702 1.648 -0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.234 1.320 -1.295 1.00 0.00 H new ATOM 238 N LYS A 14 10.904 0.852 -3.210 1.00 0.00 N ATOM 239 CA LYS A 14 11.861 0.755 -4.351 1.00 0.00 C ATOM 240 C LYS A 14 11.090 0.337 -5.608 1.00 0.00 C ATOM 241 O LYS A 14 10.079 -0.333 -5.537 1.00 0.00 O ATOM 242 CB LYS A 14 12.968 -0.267 -3.998 1.00 0.00 C ATOM 243 CG LYS A 14 13.263 -1.219 -5.171 1.00 0.00 C ATOM 244 CD LYS A 14 14.722 -1.682 -5.120 1.00 0.00 C ATOM 245 CE LYS A 14 14.772 -3.212 -5.154 1.00 0.00 C ATOM 246 NZ LYS A 14 14.239 -3.697 -6.457 1.00 0.00 N ATOM 0 H LYS A 14 10.700 -0.029 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 14 12.336 1.717 -4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.879 0.265 -3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.663 -0.847 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.598 -2.081 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.066 -0.715 -6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.275 -1.270 -5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.201 -1.312 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.797 -3.556 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.185 -3.624 -4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.572 -4.667 -6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.199 -3.687 -6.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.573 -3.076 -7.222 1.00 0.00 H new ATOM 260 N GLY A 15 11.560 0.734 -6.759 1.00 0.00 N ATOM 261 CA GLY A 15 10.861 0.367 -8.022 1.00 0.00 C ATOM 262 C GLY A 15 11.600 0.991 -9.206 1.00 0.00 C ATOM 263 O GLY A 15 12.237 2.017 -9.081 1.00 0.00 O ATOM 0 H GLY A 15 12.401 1.299 -6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.826 -0.717 -8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.829 0.718 -7.996 1.00 0.00 H new ATOM 267 N SER A 16 11.525 0.377 -10.354 1.00 0.00 N ATOM 268 CA SER A 16 12.228 0.938 -11.542 1.00 0.00 C ATOM 269 C SER A 16 13.732 0.986 -11.262 1.00 0.00 C ATOM 270 O SER A 16 14.457 0.055 -11.552 1.00 0.00 O ATOM 271 CB SER A 16 11.715 2.352 -11.820 1.00 0.00 C ATOM 272 OG SER A 16 12.496 2.939 -12.852 1.00 0.00 O ATOM 0 H SER A 16 11.009 -0.487 -10.521 1.00 0.00 H new ATOM 0 HA SER A 16 12.037 0.308 -12.411 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.666 2.320 -12.115 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.773 2.957 -10.915 1.00 0.00 H new ATOM 0 HG SER A 16 12.169 3.845 -13.034 1.00 0.00 H new ATOM 278 N VAL A 17 14.206 2.062 -10.696 1.00 0.00 N ATOM 279 CA VAL A 17 15.661 2.167 -10.394 1.00 0.00 C ATOM 280 C VAL A 17 16.148 0.854 -9.776 1.00 0.00 C ATOM 281 O VAL A 17 15.364 0.017 -9.372 1.00 0.00 O ATOM 282 CB VAL A 17 15.896 3.313 -9.409 1.00 0.00 C ATOM 283 CG1 VAL A 17 15.050 3.091 -8.154 1.00 0.00 C ATOM 284 CG2 VAL A 17 17.375 3.360 -9.024 1.00 0.00 C ATOM 0 H VAL A 17 13.648 2.873 -10.430 1.00 0.00 H new ATOM 0 HA VAL A 17 16.211 2.362 -11.315 1.00 0.00 H new ATOM 0 HB VAL A 17 15.612 4.256 -9.876 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.218 3.908 -7.453 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.995 3.059 -8.427 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.333 2.148 -7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 17 17.542 4.177 -8.322 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.660 2.417 -8.558 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.979 3.520 -9.917 1.00 0.00 H new ATOM 294 N PHE A 18 17.436 0.666 -9.702 1.00 0.00 N ATOM 295 CA PHE A 18 17.975 -0.592 -9.114 1.00 0.00 C ATOM 296 C PHE A 18 17.801 -0.567 -7.595 1.00 0.00 C ATOM 297 O PHE A 18 17.230 0.353 -7.041 1.00 0.00 O ATOM 298 CB PHE A 18 19.462 -0.710 -9.453 1.00 0.00 C ATOM 299 CG PHE A 18 20.229 0.397 -8.770 1.00 0.00 C ATOM 300 CD1 PHE A 18 20.554 0.292 -7.411 1.00 0.00 C ATOM 301 CD2 PHE A 18 20.615 1.531 -9.498 1.00 0.00 C ATOM 302 CE1 PHE A 18 21.266 1.321 -6.780 1.00 0.00 C ATOM 303 CE2 PHE A 18 21.327 2.560 -8.866 1.00 0.00 C ATOM 304 CZ PHE A 18 21.653 2.454 -7.508 1.00 0.00 C ATOM 0 H PHE A 18 18.140 1.330 -10.024 1.00 0.00 H new ATOM 0 HA PHE A 18 17.435 -1.445 -9.524 1.00 0.00 H new ATOM 0 HB2 PHE A 18 19.842 -1.680 -9.133 1.00 0.00 H new ATOM 0 HB3 PHE A 18 19.605 -0.652 -10.532 1.00 0.00 H new ATOM 0 HD1 PHE A 18 20.256 -0.581 -6.850 1.00 0.00 H new ATOM 0 HD2 PHE A 18 20.364 1.612 -10.545 1.00 0.00 H new ATOM 0 HE1 PHE A 18 21.516 1.241 -5.733 1.00 0.00 H new ATOM 0 HE2 PHE A 18 21.624 3.434 -9.426 1.00 0.00 H new ATOM 0 HZ PHE A 18 22.203 3.246 -7.022 1.00 0.00 H new ATOM 314 N ASN A 19 18.295 -1.567 -6.916 1.00 0.00 N ATOM 315 CA ASN A 19 18.168 -1.599 -5.432 1.00 0.00 C ATOM 316 C ASN A 19 18.485 -0.207 -4.879 1.00 0.00 C ATOM 317 O ASN A 19 19.614 0.240 -4.914 1.00 0.00 O ATOM 318 CB ASN A 19 19.156 -2.628 -4.865 1.00 0.00 C ATOM 319 CG ASN A 19 19.420 -2.347 -3.382 1.00 0.00 C ATOM 320 OD1 ASN A 19 18.511 -1.739 -2.672 1.00 0.00 O flip ATOM 321 ND2 ASN A 19 20.466 -2.686 -2.865 1.00 0.00 N flip ATOM 0 H ASN A 19 18.782 -2.364 -7.326 1.00 0.00 H new ATOM 0 HA ASN A 19 17.155 -1.881 -5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.754 -3.634 -4.986 1.00 0.00 H new ATOM 0 HB3 ASN A 19 20.092 -2.590 -5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 19 21.178 -3.162 -3.419 1.00 0.00 H new ATOM 0 HD22 ASN A 19 20.632 -2.495 -1.877 1.00 0.00 H new ATOM 328 N THR A 20 17.499 0.484 -4.379 1.00 0.00 N ATOM 329 CA THR A 20 17.751 1.848 -3.839 1.00 0.00 C ATOM 330 C THR A 20 16.829 2.116 -2.656 1.00 0.00 C ATOM 331 O THR A 20 17.266 2.390 -1.557 1.00 0.00 O ATOM 332 CB THR A 20 17.481 2.876 -4.937 1.00 0.00 C ATOM 333 OG1 THR A 20 16.235 2.588 -5.556 1.00 0.00 O ATOM 334 CG2 THR A 20 18.598 2.822 -5.982 1.00 0.00 C ATOM 0 H THR A 20 16.532 0.164 -4.321 1.00 0.00 H new ATOM 0 HA THR A 20 18.787 1.922 -3.507 1.00 0.00 H new ATOM 0 HB THR A 20 17.449 3.874 -4.499 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.306 1.750 -6.060 1.00 0.00 H new ATOM 0 HG21 THR A 20 18.401 3.557 -6.763 1.00 0.00 H new ATOM 0 HG22 THR A 20 19.553 3.045 -5.506 1.00 0.00 H new ATOM 0 HG23 THR A 20 18.636 1.826 -6.422 1.00 0.00 H new ATOM 342 N TRP A 21 15.557 2.039 -2.886 1.00 0.00 N ATOM 343 CA TRP A 21 14.570 2.282 -1.802 1.00 0.00 C ATOM 344 C TRP A 21 14.676 3.723 -1.305 1.00 0.00 C ATOM 345 O TRP A 21 15.599 4.086 -0.604 1.00 0.00 O ATOM 346 CB TRP A 21 14.836 1.316 -0.650 1.00 0.00 C ATOM 347 CG TRP A 21 14.355 -0.040 -1.040 1.00 0.00 C ATOM 348 CD1 TRP A 21 14.916 -0.808 -1.995 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.227 -0.796 -0.511 1.00 0.00 C ATOM 350 NE1 TRP A 21 14.198 -1.983 -2.104 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.153 -2.029 -1.203 1.00 0.00 C ATOM 352 CE3 TRP A 21 12.271 -0.537 0.489 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.164 -2.971 -0.912 1.00 0.00 C ATOM 354 CZ3 TRP A 21 11.274 -1.482 0.784 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.223 -2.697 0.085 1.00 0.00 C ATOM 0 H TRP A 21 15.149 1.814 -3.793 1.00 0.00 H new ATOM 0 HA TRP A 21 13.564 2.119 -2.190 1.00 0.00 H new ATOM 0 HB2 TRP A 21 15.901 1.287 -0.420 1.00 0.00 H new ATOM 0 HB3 TRP A 21 14.324 1.653 0.251 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.786 -0.547 -2.580 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.414 -2.726 -2.769 1.00 0.00 H new ATOM 0 HE3 TRP A 21 12.304 0.395 1.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.126 -3.905 -1.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.544 -1.272 1.552 1.00 0.00 H new ATOM 0 HH2 TRP A 21 10.456 -3.421 0.317 1.00 0.00 H new ATOM 366 N LYS A 22 13.725 4.545 -1.659 1.00 0.00 N ATOM 367 CA LYS A 22 13.751 5.962 -1.204 1.00 0.00 C ATOM 368 C LYS A 22 12.422 6.285 -0.503 1.00 0.00 C ATOM 369 O LYS A 22 11.368 5.931 -0.997 1.00 0.00 O ATOM 370 CB LYS A 22 13.928 6.883 -2.414 1.00 0.00 C ATOM 371 CG LYS A 22 15.044 6.341 -3.310 1.00 0.00 C ATOM 372 CD LYS A 22 15.076 7.133 -4.619 1.00 0.00 C ATOM 373 CE LYS A 22 16.244 6.649 -5.480 1.00 0.00 C ATOM 374 NZ LYS A 22 17.518 6.802 -4.722 1.00 0.00 N ATOM 0 H LYS A 22 12.929 4.294 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 22 14.580 6.114 -0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.996 6.947 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.171 7.893 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.005 6.420 -2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.879 5.284 -3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.137 7.005 -5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.181 8.198 -4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.097 5.605 -5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.289 7.222 -6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.319 6.804 -5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.503 7.698 -4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.623 6.010 -4.056 1.00 0.00 H new ATOM 388 N PRO A 23 12.504 6.942 0.629 1.00 0.00 N ATOM 389 CA PRO A 23 11.320 7.305 1.396 1.00 0.00 C ATOM 390 C PRO A 23 10.311 8.048 0.512 1.00 0.00 C ATOM 391 O PRO A 23 10.653 8.591 -0.520 1.00 0.00 O ATOM 392 CB PRO A 23 11.842 8.221 2.499 1.00 0.00 C ATOM 393 CG PRO A 23 13.340 7.807 2.641 1.00 0.00 C ATOM 394 CD PRO A 23 13.785 7.361 1.221 1.00 0.00 C ATOM 0 HA PRO A 23 10.801 6.432 1.793 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.740 9.272 2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.296 8.077 3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.945 8.640 2.998 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.457 6.997 3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.248 8.174 0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.507 6.545 1.255 1.00 0.00 H new ATOM 402 N MET A 24 9.069 8.080 0.915 1.00 0.00 N ATOM 403 CA MET A 24 8.033 8.787 0.114 1.00 0.00 C ATOM 404 C MET A 24 6.719 8.810 0.896 1.00 0.00 C ATOM 405 O MET A 24 6.580 8.160 1.917 1.00 0.00 O ATOM 406 CB MET A 24 7.816 8.062 -1.216 1.00 0.00 C ATOM 407 CG MET A 24 7.352 6.628 -0.960 1.00 0.00 C ATOM 408 SD MET A 24 7.644 5.625 -2.439 1.00 0.00 S ATOM 409 CE MET A 24 6.144 6.095 -3.334 1.00 0.00 C ATOM 0 H MET A 24 8.727 7.643 1.771 1.00 0.00 H new ATOM 0 HA MET A 24 8.366 9.806 -0.083 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.073 8.592 -1.812 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.742 8.056 -1.792 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.889 6.207 -0.110 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.293 6.618 -0.704 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.082 5.528 -4.263 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.271 5.879 -2.719 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.174 7.161 -3.560 1.00 0.00 H new ATOM 419 N TRP A 25 5.750 9.544 0.424 1.00 0.00 N ATOM 420 CA TRP A 25 4.447 9.602 1.138 1.00 0.00 C ATOM 421 C TRP A 25 3.549 8.496 0.611 1.00 0.00 C ATOM 422 O TRP A 25 3.545 8.194 -0.564 1.00 0.00 O ATOM 423 CB TRP A 25 3.786 10.961 0.902 1.00 0.00 C ATOM 424 CG TRP A 25 2.679 11.160 1.888 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.361 11.197 1.582 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.769 11.351 3.330 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.638 11.399 2.744 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.460 11.500 3.848 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.851 11.408 4.227 1.00 0.00 C ATOM 430 CZ2 TRP A 25 1.234 11.699 5.211 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.628 11.607 5.600 1.00 0.00 C ATOM 432 CH2 TRP A 25 2.321 11.753 6.091 1.00 0.00 C ATOM 0 H TRP A 25 5.805 10.106 -0.426 1.00 0.00 H new ATOM 0 HA TRP A 25 4.607 9.470 2.208 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.523 11.757 1.003 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.395 11.015 -0.114 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.942 11.087 0.593 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.379 11.465 2.780 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.860 11.298 3.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 0.227 11.811 5.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.466 11.648 6.280 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.154 11.907 7.147 1.00 0.00 H new ATOM 443 N VAL A 26 2.807 7.867 1.470 1.00 0.00 N ATOM 444 CA VAL A 26 1.936 6.765 1.003 1.00 0.00 C ATOM 445 C VAL A 26 0.708 6.644 1.907 1.00 0.00 C ATOM 446 O VAL A 26 0.817 6.550 3.113 1.00 0.00 O ATOM 447 CB VAL A 26 2.758 5.477 1.014 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.652 5.457 2.249 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.837 4.252 1.017 1.00 0.00 C ATOM 0 H VAL A 26 2.766 8.067 2.469 1.00 0.00 H new ATOM 0 HA VAL A 26 1.578 6.961 -0.008 1.00 0.00 H new ATOM 0 HB VAL A 26 3.375 5.443 0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.239 4.539 2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.322 6.316 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.034 5.502 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.440 3.344 1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.204 4.275 1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.212 4.265 0.124 1.00 0.00 H new ATOM 459 N VAL A 27 -0.463 6.644 1.327 1.00 0.00 N ATOM 460 CA VAL A 27 -1.701 6.527 2.145 1.00 0.00 C ATOM 461 C VAL A 27 -2.550 5.373 1.620 1.00 0.00 C ATOM 462 O VAL A 27 -2.985 5.373 0.483 1.00 0.00 O ATOM 463 CB VAL A 27 -2.508 7.825 2.056 1.00 0.00 C ATOM 464 CG1 VAL A 27 -1.618 9.001 2.464 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.996 8.031 0.621 1.00 0.00 C ATOM 0 H VAL A 27 -0.614 6.720 0.321 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.426 6.341 3.183 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.368 7.765 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.189 9.928 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.270 8.856 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.760 9.058 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.570 8.956 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.139 8.092 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.627 7.192 0.327 1.00 0.00 H new ATOM 475 N LEU A 28 -2.804 4.392 2.441 1.00 0.00 N ATOM 476 CA LEU A 28 -3.642 3.255 1.981 1.00 0.00 C ATOM 477 C LEU A 28 -5.107 3.597 2.243 1.00 0.00 C ATOM 478 O LEU A 28 -5.568 3.597 3.367 1.00 0.00 O ATOM 479 CB LEU A 28 -3.251 1.972 2.723 1.00 0.00 C ATOM 480 CG LEU A 28 -3.668 2.054 4.192 1.00 0.00 C ATOM 481 CD1 LEU A 28 -5.005 1.334 4.384 1.00 0.00 C ATOM 482 CD2 LEU A 28 -2.602 1.370 5.050 1.00 0.00 C ATOM 0 H LEU A 28 -2.470 4.330 3.403 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.487 3.087 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.727 1.113 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.174 1.818 2.653 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.771 3.098 4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.303 1.392 5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.766 1.808 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.900 0.288 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.891 1.423 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.510 0.326 4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.645 1.873 4.911 1.00 0.00 H new ATOM 494 N LEU A 29 -5.839 3.911 1.212 1.00 0.00 N ATOM 495 CA LEU A 29 -7.270 4.270 1.398 1.00 0.00 C ATOM 496 C LEU A 29 -8.130 3.009 1.293 1.00 0.00 C ATOM 497 O LEU A 29 -7.698 1.990 0.789 1.00 0.00 O ATOM 498 CB LEU A 29 -7.690 5.270 0.319 1.00 0.00 C ATOM 499 CG LEU A 29 -6.720 6.459 0.294 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.643 6.219 -0.764 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.497 7.730 -0.060 1.00 0.00 C ATOM 0 H LEU A 29 -5.507 3.934 0.248 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.407 4.721 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.703 4.781 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.703 5.622 0.513 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.251 6.569 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.955 7.064 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.094 5.308 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.111 6.113 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.815 8.580 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.959 7.613 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.271 7.903 0.688 1.00 0.00 H new ATOM 513 N GLU A 30 -9.345 3.068 1.768 1.00 0.00 N ATOM 514 CA GLU A 30 -10.234 1.874 1.701 1.00 0.00 C ATOM 515 C GLU A 30 -10.687 1.650 0.259 1.00 0.00 C ATOM 516 O GLU A 30 -11.236 0.618 -0.076 1.00 0.00 O ATOM 517 CB GLU A 30 -11.462 2.101 2.585 1.00 0.00 C ATOM 518 CG GLU A 30 -12.162 3.394 2.166 1.00 0.00 C ATOM 519 CD GLU A 30 -13.666 3.144 2.044 1.00 0.00 C ATOM 520 OE1 GLU A 30 -14.276 2.825 3.051 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.182 3.276 0.946 1.00 0.00 O ATOM 0 H GLU A 30 -9.760 3.893 2.200 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.686 0.999 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.148 1.259 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.164 2.160 3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.971 4.177 2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.763 3.744 1.214 1.00 0.00 H new ATOM 528 N ASP A 31 -10.468 2.607 -0.598 1.00 0.00 N ATOM 529 CA ASP A 31 -10.894 2.444 -2.014 1.00 0.00 C ATOM 530 C ASP A 31 -9.666 2.224 -2.900 1.00 0.00 C ATOM 531 O ASP A 31 -9.778 2.048 -4.097 1.00 0.00 O ATOM 532 CB ASP A 31 -11.635 3.702 -2.471 1.00 0.00 C ATOM 533 CG ASP A 31 -13.143 3.464 -2.379 1.00 0.00 C ATOM 534 OD1 ASP A 31 -13.575 2.379 -2.733 1.00 0.00 O ATOM 535 OD2 ASP A 31 -13.840 4.371 -1.954 1.00 0.00 O ATOM 0 H ASP A 31 -10.013 3.493 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.556 1.582 -2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.351 4.551 -1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.356 3.950 -3.495 1.00 0.00 H new ATOM 540 N GLY A 32 -8.495 2.228 -2.325 1.00 0.00 N ATOM 541 CA GLY A 32 -7.267 2.014 -3.144 1.00 0.00 C ATOM 542 C GLY A 32 -6.052 2.587 -2.414 1.00 0.00 C ATOM 543 O GLY A 32 -6.136 3.597 -1.744 1.00 0.00 O ATOM 0 H GLY A 32 -8.335 2.370 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.123 0.950 -3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.379 2.494 -4.116 1.00 0.00 H new ATOM 547 N ILE A 33 -4.920 1.949 -2.541 1.00 0.00 N ATOM 548 CA ILE A 33 -3.698 2.455 -1.858 1.00 0.00 C ATOM 549 C ILE A 33 -2.879 3.296 -2.837 1.00 0.00 C ATOM 550 O ILE A 33 -2.279 2.782 -3.759 1.00 0.00 O ATOM 551 CB ILE A 33 -2.853 1.273 -1.380 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.772 0.140 -0.917 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.964 1.715 -0.218 1.00 0.00 C ATOM 554 CD1 ILE A 33 -4.846 0.704 0.015 1.00 0.00 C ATOM 0 H ILE A 33 -4.790 1.099 -3.089 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.988 3.066 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.228 0.921 -2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.238 -0.340 -1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.192 -0.625 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.363 0.872 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.307 2.520 -0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.588 2.070 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.501 -0.102 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.371 1.164 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.432 1.453 -0.517 1.00 0.00 H new ATOM 566 N GLU A 34 -2.844 4.584 -2.641 1.00 0.00 N ATOM 567 CA GLU A 34 -2.056 5.452 -3.561 1.00 0.00 C ATOM 568 C GLU A 34 -0.983 6.178 -2.756 1.00 0.00 C ATOM 569 O GLU A 34 -1.251 6.737 -1.711 1.00 0.00 O ATOM 570 CB GLU A 34 -2.981 6.474 -4.223 1.00 0.00 C ATOM 571 CG GLU A 34 -3.610 7.361 -3.149 1.00 0.00 C ATOM 572 CD GLU A 34 -4.838 8.070 -3.726 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.903 7.472 -3.712 1.00 0.00 O ATOM 574 OE2 GLU A 34 -4.694 9.196 -4.172 1.00 0.00 O ATOM 0 H GLU A 34 -3.325 5.073 -1.886 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.589 4.842 -4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.420 7.084 -4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.759 5.963 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.896 6.759 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.885 8.095 -2.798 1.00 0.00 H new ATOM 581 N PHE A 35 0.235 6.168 -3.223 1.00 0.00 N ATOM 582 CA PHE A 35 1.314 6.853 -2.463 1.00 0.00 C ATOM 583 C PHE A 35 2.067 7.823 -3.378 1.00 0.00 C ATOM 584 O PHE A 35 2.300 7.548 -4.538 1.00 0.00 O ATOM 585 CB PHE A 35 2.281 5.805 -1.907 1.00 0.00 C ATOM 586 CG PHE A 35 2.653 4.828 -2.997 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.497 5.234 -4.039 1.00 0.00 C ATOM 588 CD2 PHE A 35 2.159 3.517 -2.965 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.846 4.331 -5.050 1.00 0.00 C ATOM 590 CE2 PHE A 35 2.510 2.613 -3.978 1.00 0.00 C ATOM 591 CZ PHE A 35 3.354 3.020 -5.019 1.00 0.00 C ATOM 0 H PHE A 35 0.527 5.719 -4.091 1.00 0.00 H new ATOM 0 HA PHE A 35 0.875 7.418 -1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.176 6.291 -1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.820 5.276 -1.073 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.878 6.244 -4.062 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.509 3.203 -2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.495 4.645 -5.854 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.129 1.603 -3.955 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.625 2.323 -5.798 1.00 0.00 H new ATOM 601 N TYR A 36 2.453 8.957 -2.855 1.00 0.00 N ATOM 602 CA TYR A 36 3.199 9.951 -3.679 1.00 0.00 C ATOM 603 C TYR A 36 4.531 10.261 -2.990 1.00 0.00 C ATOM 604 O TYR A 36 5.095 9.430 -2.305 1.00 0.00 O ATOM 605 CB TYR A 36 2.391 11.252 -3.811 1.00 0.00 C ATOM 606 CG TYR A 36 0.932 11.003 -3.504 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.531 10.702 -2.195 1.00 0.00 C ATOM 608 CD2 TYR A 36 -0.021 11.078 -4.528 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.822 10.475 -1.911 1.00 0.00 C ATOM 610 CE2 TYR A 36 -1.375 10.853 -4.244 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.775 10.551 -2.936 1.00 0.00 C ATOM 612 OH TYR A 36 -3.108 10.329 -2.656 1.00 0.00 O ATOM 0 H TYR A 36 2.283 9.238 -1.889 1.00 0.00 H new ATOM 0 HA TYR A 36 3.368 9.537 -4.673 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.789 12.005 -3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.493 11.650 -4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.265 10.645 -1.405 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.288 11.309 -5.537 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.131 10.242 -0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.110 10.912 -5.033 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.595 10.167 -3.491 1.00 0.00 H new ATOM 622 N LYS A 37 5.034 11.452 -3.158 1.00 0.00 N ATOM 623 CA LYS A 37 6.323 11.816 -2.504 1.00 0.00 C ATOM 624 C LYS A 37 6.032 12.546 -1.191 1.00 0.00 C ATOM 625 O LYS A 37 6.360 12.077 -0.120 1.00 0.00 O ATOM 626 CB LYS A 37 7.125 12.731 -3.433 1.00 0.00 C ATOM 627 CG LYS A 37 8.558 12.209 -3.552 1.00 0.00 C ATOM 628 CD LYS A 37 8.973 12.191 -5.024 1.00 0.00 C ATOM 629 CE LYS A 37 9.958 13.331 -5.291 1.00 0.00 C ATOM 630 NZ LYS A 37 10.448 13.243 -6.696 1.00 0.00 N ATOM 0 H LYS A 37 4.609 12.190 -3.720 1.00 0.00 H new ATOM 0 HA LYS A 37 6.900 10.914 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.657 12.768 -4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.129 13.749 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.236 12.842 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.627 11.206 -3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.432 11.234 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.095 12.298 -5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.473 14.292 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.797 13.272 -4.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.118 14.017 -6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.926 12.331 -6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.643 13.320 -7.350 1.00 0.00 H new ATOM 644 N LYS A 38 5.410 13.691 -1.268 1.00 0.00 N ATOM 645 CA LYS A 38 5.088 14.454 -0.027 1.00 0.00 C ATOM 646 C LYS A 38 3.689 14.060 0.449 1.00 0.00 C ATOM 647 O LYS A 38 3.035 13.232 -0.150 1.00 0.00 O ATOM 648 CB LYS A 38 5.118 15.953 -0.331 1.00 0.00 C ATOM 649 CG LYS A 38 6.232 16.615 0.481 1.00 0.00 C ATOM 650 CD LYS A 38 5.769 17.992 0.963 1.00 0.00 C ATOM 651 CE LYS A 38 6.751 19.061 0.480 1.00 0.00 C ATOM 652 NZ LYS A 38 6.378 19.493 -0.897 1.00 0.00 N ATOM 0 H LYS A 38 5.110 14.132 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 38 5.820 14.227 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.284 16.116 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.157 16.404 -0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.494 15.989 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.130 16.715 -0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.769 18.204 0.584 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.707 18.006 2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.737 19.915 1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.767 18.666 0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.045 20.220 -1.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.413 18.675 -1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.415 19.886 -0.889 1.00 0.00 H new ATOM 666 N LYS A 39 3.218 14.649 1.517 1.00 0.00 N ATOM 667 CA LYS A 39 1.857 14.294 2.003 1.00 0.00 C ATOM 668 C LYS A 39 0.905 14.297 0.807 1.00 0.00 C ATOM 669 O LYS A 39 0.088 13.410 0.649 1.00 0.00 O ATOM 670 CB LYS A 39 1.395 15.307 3.055 1.00 0.00 C ATOM 671 CG LYS A 39 -0.128 15.235 3.212 1.00 0.00 C ATOM 672 CD LYS A 39 -0.529 15.762 4.590 1.00 0.00 C ATOM 673 CE LYS A 39 0.305 15.060 5.659 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.572 14.646 6.788 1.00 0.00 N ATOM 0 H LYS A 39 3.712 15.352 2.067 1.00 0.00 H new ATOM 0 HA LYS A 39 1.868 13.307 2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.878 15.100 4.010 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.692 16.313 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.612 15.823 2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.467 14.206 3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.373 16.840 4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.590 15.585 4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.801 14.188 5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.088 15.727 6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.001 14.168 7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.026 15.486 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.303 13.994 6.439 1.00 0.00 H new ATOM 688 N SER A 40 1.023 15.273 -0.048 1.00 0.00 N ATOM 689 CA SER A 40 0.145 15.314 -1.247 1.00 0.00 C ATOM 690 C SER A 40 0.926 15.867 -2.430 1.00 0.00 C ATOM 691 O SER A 40 0.651 16.949 -2.910 1.00 0.00 O ATOM 692 CB SER A 40 -1.068 16.209 -1.004 1.00 0.00 C ATOM 693 OG SER A 40 -1.188 16.480 0.386 1.00 0.00 O ATOM 0 H SER A 40 1.688 16.042 0.032 1.00 0.00 H new ATOM 0 HA SER A 40 -0.195 14.299 -1.454 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.962 17.141 -1.559 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.972 15.721 -1.369 1.00 0.00 H new ATOM 0 HG SER A 40 -1.966 17.056 0.541 1.00 0.00 H new ATOM 699 N ASP A 41 1.877 15.129 -2.934 1.00 0.00 N ATOM 700 CA ASP A 41 2.632 15.625 -4.115 1.00 0.00 C ATOM 701 C ASP A 41 1.626 16.135 -5.144 1.00 0.00 C ATOM 702 O ASP A 41 1.953 16.914 -6.016 1.00 0.00 O ATOM 703 CB ASP A 41 3.457 14.485 -4.719 1.00 0.00 C ATOM 704 CG ASP A 41 4.146 14.975 -5.994 1.00 0.00 C ATOM 705 OD1 ASP A 41 5.210 15.560 -5.882 1.00 0.00 O ATOM 706 OD2 ASP A 41 3.597 14.756 -7.061 1.00 0.00 O ATOM 0 H ASP A 41 2.160 14.214 -2.583 1.00 0.00 H new ATOM 0 HA ASP A 41 3.309 16.427 -3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.201 14.140 -4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.813 13.635 -4.944 1.00 0.00 H new ATOM 711 N ASN A 42 0.406 15.674 -5.035 1.00 0.00 N ATOM 712 CA ASN A 42 -0.675 16.078 -5.971 1.00 0.00 C ATOM 713 C ASN A 42 -0.706 15.071 -7.118 1.00 0.00 C ATOM 714 O ASN A 42 -1.680 14.948 -7.834 1.00 0.00 O ATOM 715 CB ASN A 42 -0.427 17.487 -6.518 1.00 0.00 C ATOM 716 CG ASN A 42 -1.763 18.137 -6.881 1.00 0.00 C ATOM 717 OD1 ASN A 42 -2.024 18.414 -8.034 1.00 0.00 O ATOM 718 ND2 ASN A 42 -2.629 18.391 -5.937 1.00 0.00 N ATOM 0 H ASN A 42 0.111 15.016 -4.314 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.630 16.091 -5.445 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.093 18.091 -5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.217 17.439 -7.396 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.524 18.822 -6.169 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.410 18.158 -4.968 1.00 0.00 H new ATOM 725 N SER A 43 0.364 14.338 -7.284 1.00 0.00 N ATOM 726 CA SER A 43 0.420 13.320 -8.366 1.00 0.00 C ATOM 727 C SER A 43 0.992 12.017 -7.786 1.00 0.00 C ATOM 728 O SER A 43 2.104 12.005 -7.298 1.00 0.00 O ATOM 729 CB SER A 43 1.331 13.817 -9.488 1.00 0.00 C ATOM 730 OG SER A 43 1.229 12.938 -10.599 1.00 0.00 O ATOM 0 H SER A 43 1.205 14.404 -6.711 1.00 0.00 H new ATOM 0 HA SER A 43 -0.579 13.146 -8.765 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.047 14.828 -9.782 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.363 13.864 -9.140 1.00 0.00 H new ATOM 0 HG SER A 43 1.811 13.255 -11.321 1.00 0.00 H new ATOM 736 N PRO A 44 0.217 10.961 -7.845 1.00 0.00 N ATOM 737 CA PRO A 44 0.641 9.671 -7.320 1.00 0.00 C ATOM 738 C PRO A 44 1.754 9.080 -8.177 1.00 0.00 C ATOM 739 O PRO A 44 1.678 9.044 -9.389 1.00 0.00 O ATOM 740 CB PRO A 44 -0.611 8.800 -7.379 1.00 0.00 C ATOM 741 CG PRO A 44 -1.463 9.465 -8.503 1.00 0.00 C ATOM 742 CD PRO A 44 -1.128 10.983 -8.439 1.00 0.00 C ATOM 0 HA PRO A 44 1.042 9.747 -6.309 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.369 7.764 -7.618 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.140 8.792 -6.426 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.216 9.050 -9.480 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.527 9.291 -8.343 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.133 11.446 -9.426 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.839 11.535 -7.824 1.00 0.00 H new ATOM 750 N LYS A 45 2.788 8.609 -7.543 1.00 0.00 N ATOM 751 CA LYS A 45 3.919 8.009 -8.291 1.00 0.00 C ATOM 752 C LYS A 45 3.641 6.510 -8.464 1.00 0.00 C ATOM 753 O LYS A 45 4.174 5.863 -9.344 1.00 0.00 O ATOM 754 CB LYS A 45 5.216 8.248 -7.494 1.00 0.00 C ATOM 755 CG LYS A 45 6.136 7.029 -7.568 1.00 0.00 C ATOM 756 CD LYS A 45 7.594 7.479 -7.463 1.00 0.00 C ATOM 757 CE LYS A 45 8.467 6.294 -7.046 1.00 0.00 C ATOM 758 NZ LYS A 45 9.259 6.661 -5.839 1.00 0.00 N ATOM 0 H LYS A 45 2.897 8.615 -6.529 1.00 0.00 H new ATOM 0 HA LYS A 45 4.030 8.461 -9.276 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.733 9.123 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.973 8.463 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.901 6.334 -6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.976 6.496 -8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.933 7.875 -8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.685 8.285 -6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.843 5.426 -6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.135 6.016 -7.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.853 5.856 -5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.865 7.478 -6.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.613 6.906 -5.061 1.00 0.00 H new ATOM 772 N GLY A 46 2.801 5.959 -7.629 1.00 0.00 N ATOM 773 CA GLY A 46 2.479 4.509 -7.740 1.00 0.00 C ATOM 774 C GLY A 46 1.159 4.233 -7.021 1.00 0.00 C ATOM 775 O GLY A 46 1.035 4.433 -5.828 1.00 0.00 O ATOM 0 H GLY A 46 2.324 6.452 -6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.404 4.220 -8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.278 3.912 -7.301 1.00 0.00 H new ATOM 779 N MET A 47 0.167 3.778 -7.738 1.00 0.00 N ATOM 780 CA MET A 47 -1.145 3.495 -7.093 1.00 0.00 C ATOM 781 C MET A 47 -1.315 1.986 -6.913 1.00 0.00 C ATOM 782 O MET A 47 -0.575 1.195 -7.463 1.00 0.00 O ATOM 783 CB MET A 47 -2.276 4.029 -7.974 1.00 0.00 C ATOM 784 CG MET A 47 -1.988 5.484 -8.348 1.00 0.00 C ATOM 785 SD MET A 47 -2.365 5.744 -10.100 1.00 0.00 S ATOM 786 CE MET A 47 -0.697 6.213 -10.624 1.00 0.00 C ATOM 0 H MET A 47 0.209 3.591 -8.740 1.00 0.00 H new ATOM 0 HA MET A 47 -1.178 3.984 -6.119 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.367 3.422 -8.875 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.227 3.960 -7.445 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.588 6.154 -7.733 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.942 5.721 -8.151 1.00 0.00 H new ATOM 0 HE1 MET A 47 -0.732 6.608 -11.639 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.305 6.976 -9.951 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.048 5.338 -10.598 1.00 0.00 H new ATOM 796 N ILE A 48 -2.292 1.586 -6.148 1.00 0.00 N ATOM 797 CA ILE A 48 -2.525 0.133 -5.927 1.00 0.00 C ATOM 798 C ILE A 48 -4.036 -0.130 -5.913 1.00 0.00 C ATOM 799 O ILE A 48 -4.717 0.269 -4.990 1.00 0.00 O ATOM 800 CB ILE A 48 -1.926 -0.279 -4.582 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.564 0.394 -4.403 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.752 -1.798 -4.547 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.115 -0.153 -3.145 1.00 0.00 C ATOM 0 H ILE A 48 -2.942 2.206 -5.665 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.055 -0.443 -6.724 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.593 0.030 -3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.062 0.210 -5.276 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.688 1.474 -4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.325 -2.093 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.722 -2.278 -4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.085 -2.106 -5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.085 0.327 -3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.509 0.054 -2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.253 -1.230 -3.245 1.00 0.00 H new ATOM 815 N PRO A 49 -4.524 -0.785 -6.939 1.00 0.00 N ATOM 816 CA PRO A 49 -5.943 -1.086 -7.046 1.00 0.00 C ATOM 817 C PRO A 49 -6.348 -2.122 -5.995 1.00 0.00 C ATOM 818 O PRO A 49 -5.869 -3.238 -5.991 1.00 0.00 O ATOM 819 CB PRO A 49 -6.109 -1.652 -8.452 1.00 0.00 C ATOM 820 CG PRO A 49 -4.692 -2.209 -8.787 1.00 0.00 C ATOM 821 CD PRO A 49 -3.695 -1.271 -8.052 1.00 0.00 C ATOM 0 HA PRO A 49 -6.570 -0.210 -6.878 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.866 -2.435 -8.483 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.416 -0.883 -9.161 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.585 -3.239 -8.448 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.513 -2.207 -9.862 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.810 -1.804 -7.703 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.347 -0.459 -8.691 1.00 0.00 H new ATOM 829 N LEU A 50 -7.233 -1.761 -5.105 1.00 0.00 N ATOM 830 CA LEU A 50 -7.670 -2.726 -4.059 1.00 0.00 C ATOM 831 C LEU A 50 -8.469 -3.859 -4.709 1.00 0.00 C ATOM 832 O LEU A 50 -8.825 -4.827 -4.067 1.00 0.00 O ATOM 833 CB LEU A 50 -8.553 -2.005 -3.039 1.00 0.00 C ATOM 834 CG LEU A 50 -7.833 -1.939 -1.692 1.00 0.00 C ATOM 835 CD1 LEU A 50 -7.162 -0.574 -1.538 1.00 0.00 C ATOM 836 CD2 LEU A 50 -8.845 -2.138 -0.560 1.00 0.00 C ATOM 0 H LEU A 50 -7.671 -0.841 -5.058 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.794 -3.139 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.783 -0.999 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.502 -2.529 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.078 -2.724 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.649 -0.527 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.441 -0.430 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.918 0.210 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.331 -2.091 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.601 -1.354 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.324 -3.111 -0.667 1.00 0.00 H new ATOM 848 N LYS A 51 -8.759 -3.743 -5.977 1.00 0.00 N ATOM 849 CA LYS A 51 -9.538 -4.808 -6.667 1.00 0.00 C ATOM 850 C LYS A 51 -9.024 -6.184 -6.238 1.00 0.00 C ATOM 851 O LYS A 51 -9.710 -6.928 -5.566 1.00 0.00 O ATOM 852 CB LYS A 51 -9.379 -4.654 -8.182 1.00 0.00 C ATOM 853 CG LYS A 51 -9.913 -3.286 -8.613 1.00 0.00 C ATOM 854 CD LYS A 51 -10.685 -3.432 -9.925 1.00 0.00 C ATOM 855 CE LYS A 51 -12.170 -3.162 -9.676 1.00 0.00 C ATOM 856 NZ LYS A 51 -12.503 -1.778 -10.115 1.00 0.00 N ATOM 0 H LYS A 51 -8.489 -2.954 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.590 -4.717 -6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.330 -4.751 -8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.920 -5.447 -8.698 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.563 -2.877 -7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.088 -2.585 -8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.297 -2.734 -10.667 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.550 -4.435 -10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.778 -3.884 -10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.401 -3.285 -8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.512 -1.594 -9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.932 -1.096 -9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.298 -1.677 -11.129 1.00 0.00 H new ATOM 870 N GLY A 52 -7.825 -6.535 -6.621 1.00 0.00 N ATOM 871 CA GLY A 52 -7.287 -7.868 -6.230 1.00 0.00 C ATOM 872 C GLY A 52 -5.763 -7.801 -6.103 1.00 0.00 C ATOM 873 O GLY A 52 -5.039 -8.344 -6.914 1.00 0.00 O ATOM 0 H GLY A 52 -7.199 -5.959 -7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.726 -8.183 -5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.566 -8.614 -6.974 1.00 0.00 H new ATOM 877 N SER A 53 -5.269 -7.149 -5.087 1.00 0.00 N ATOM 878 CA SER A 53 -3.792 -7.061 -4.909 1.00 0.00 C ATOM 879 C SER A 53 -3.313 -8.251 -4.084 1.00 0.00 C ATOM 880 O SER A 53 -4.082 -9.120 -3.725 1.00 0.00 O ATOM 881 CB SER A 53 -3.435 -5.760 -4.188 1.00 0.00 C ATOM 882 OG SER A 53 -4.394 -4.764 -4.514 1.00 0.00 O ATOM 0 H SER A 53 -5.822 -6.674 -4.374 1.00 0.00 H new ATOM 0 HA SER A 53 -3.307 -7.073 -5.885 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.414 -5.922 -3.110 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.438 -5.431 -4.480 1.00 0.00 H new ATOM 0 HG SER A 53 -4.552 -4.766 -5.481 1.00 0.00 H new ATOM 888 N THR A 54 -2.044 -8.308 -3.791 1.00 0.00 N ATOM 889 CA THR A 54 -1.522 -9.451 -3.006 1.00 0.00 C ATOM 890 C THR A 54 -0.483 -8.950 -2.001 1.00 0.00 C ATOM 891 O THR A 54 0.576 -8.493 -2.372 1.00 0.00 O ATOM 892 CB THR A 54 -0.877 -10.442 -3.969 1.00 0.00 C ATOM 893 OG1 THR A 54 -0.989 -9.948 -5.295 1.00 0.00 O ATOM 894 CG2 THR A 54 -1.593 -11.785 -3.872 1.00 0.00 C ATOM 0 H THR A 54 -1.350 -7.612 -4.062 1.00 0.00 H new ATOM 0 HA THR A 54 -2.332 -9.936 -2.461 1.00 0.00 H new ATOM 0 HB THR A 54 0.174 -10.569 -3.710 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.869 -8.975 -5.293 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.132 -12.494 -4.560 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.516 -12.166 -2.854 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.644 -11.657 -4.133 1.00 0.00 H new ATOM 902 N LEU A 55 -0.780 -9.031 -0.733 1.00 0.00 N ATOM 903 CA LEU A 55 0.189 -8.553 0.297 1.00 0.00 C ATOM 904 C LEU A 55 1.130 -9.699 0.676 1.00 0.00 C ATOM 905 O LEU A 55 0.701 -10.802 0.949 1.00 0.00 O ATOM 906 CB LEU A 55 -0.588 -8.091 1.536 1.00 0.00 C ATOM 907 CG LEU A 55 0.357 -7.444 2.553 1.00 0.00 C ATOM 908 CD1 LEU A 55 1.222 -8.517 3.214 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.258 -6.428 1.848 1.00 0.00 C ATOM 0 H LEU A 55 -1.653 -9.408 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 55 0.774 -7.723 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.360 -7.379 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.095 -8.941 1.992 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.235 -6.937 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.892 -8.050 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.582 -9.237 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.810 -9.030 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.929 -5.970 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.845 -6.933 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.643 -5.656 1.385 1.00 0.00 H new ATOM 921 N THR A 56 2.411 -9.449 0.690 1.00 0.00 N ATOM 922 CA THR A 56 3.377 -10.526 1.045 1.00 0.00 C ATOM 923 C THR A 56 4.112 -10.158 2.336 1.00 0.00 C ATOM 924 O THR A 56 4.519 -9.030 2.532 1.00 0.00 O ATOM 925 CB THR A 56 4.393 -10.693 -0.088 1.00 0.00 C ATOM 926 OG1 THR A 56 3.736 -11.212 -1.237 1.00 0.00 O ATOM 927 CG2 THR A 56 5.495 -11.658 0.350 1.00 0.00 C ATOM 0 H THR A 56 2.830 -8.545 0.471 1.00 0.00 H new ATOM 0 HA THR A 56 2.835 -11.460 1.192 1.00 0.00 H new ATOM 0 HB THR A 56 4.835 -9.725 -0.326 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.404 -11.483 -1.901 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.218 -11.776 -0.458 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.998 -11.260 1.232 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.056 -12.627 0.589 1.00 0.00 H new ATOM 935 N SER A 57 4.287 -11.107 3.215 1.00 0.00 N ATOM 936 CA SER A 57 4.996 -10.824 4.494 1.00 0.00 C ATOM 937 C SER A 57 5.710 -12.098 4.965 1.00 0.00 C ATOM 938 O SER A 57 5.074 -13.100 5.228 1.00 0.00 O ATOM 939 CB SER A 57 3.983 -10.385 5.552 1.00 0.00 C ATOM 940 OG SER A 57 3.357 -11.534 6.106 1.00 0.00 O ATOM 0 H SER A 57 3.968 -12.069 3.101 1.00 0.00 H new ATOM 0 HA SER A 57 5.726 -10.029 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.482 -9.815 6.336 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.236 -9.728 5.107 1.00 0.00 H new ATOM 0 HG SER A 57 3.503 -12.303 5.516 1.00 0.00 H new ATOM 946 N PRO A 58 7.014 -12.022 5.052 1.00 0.00 N ATOM 947 CA PRO A 58 7.750 -10.808 4.729 1.00 0.00 C ATOM 948 C PRO A 58 7.724 -10.553 3.219 1.00 0.00 C ATOM 949 O PRO A 58 6.888 -11.072 2.507 1.00 0.00 O ATOM 950 CB PRO A 58 9.159 -11.074 5.210 1.00 0.00 C ATOM 951 CG PRO A 58 9.271 -12.632 5.188 1.00 0.00 C ATOM 952 CD PRO A 58 7.838 -13.159 5.479 1.00 0.00 C ATOM 0 HA PRO A 58 7.320 -9.923 5.197 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.899 -10.610 4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.322 -10.675 6.211 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.630 -12.985 4.221 1.00 0.00 H new ATOM 0 HG3 PRO A 58 9.978 -12.985 5.939 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.612 -14.064 4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.695 -13.396 6.533 1.00 0.00 H new ATOM 960 N CYS A 59 8.628 -9.751 2.727 1.00 0.00 N ATOM 961 CA CYS A 59 8.649 -9.456 1.266 1.00 0.00 C ATOM 962 C CYS A 59 9.555 -10.457 0.546 1.00 0.00 C ATOM 963 O CYS A 59 9.691 -11.593 0.954 1.00 0.00 O ATOM 964 CB CYS A 59 9.178 -8.038 1.044 1.00 0.00 C ATOM 965 SG CYS A 59 10.932 -7.972 1.487 1.00 0.00 S ATOM 0 H CYS A 59 9.353 -9.287 3.274 1.00 0.00 H new ATOM 0 HA CYS A 59 7.638 -9.538 0.867 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.044 -7.747 0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.612 -7.329 1.648 1.00 0.00 H new ATOM 0 HG CYS A 59 11.383 -6.768 1.296 1.00 0.00 H new ATOM 971 N GLN A 60 10.171 -10.042 -0.529 1.00 0.00 N ATOM 972 CA GLN A 60 11.066 -10.963 -1.285 1.00 0.00 C ATOM 973 C GLN A 60 12.378 -11.149 -0.527 1.00 0.00 C ATOM 974 O GLN A 60 12.481 -10.839 0.643 1.00 0.00 O ATOM 975 CB GLN A 60 11.355 -10.373 -2.667 1.00 0.00 C ATOM 976 CG GLN A 60 11.282 -11.478 -3.722 1.00 0.00 C ATOM 977 CD GLN A 60 12.174 -11.110 -4.910 1.00 0.00 C ATOM 978 OE1 GLN A 60 13.085 -11.839 -5.249 1.00 0.00 O ATOM 979 NE2 GLN A 60 11.950 -10.002 -5.561 1.00 0.00 N ATOM 0 H GLN A 60 10.092 -9.102 -0.916 1.00 0.00 H new ATOM 0 HA GLN A 60 10.575 -11.930 -1.395 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.634 -9.589 -2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.342 -9.911 -2.677 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.603 -12.427 -3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.252 -11.611 -4.054 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.185 -9.389 -5.277 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.539 -9.748 -6.354 1.00 0.00 H new ATOM 988 N ASP A 61 13.386 -11.645 -1.190 1.00 0.00 N ATOM 989 CA ASP A 61 14.696 -11.843 -0.515 1.00 0.00 C ATOM 990 C ASP A 61 15.506 -10.550 -0.607 1.00 0.00 C ATOM 991 O ASP A 61 16.714 -10.551 -0.480 1.00 0.00 O ATOM 992 CB ASP A 61 15.463 -12.977 -1.200 1.00 0.00 C ATOM 993 CG ASP A 61 16.375 -13.665 -0.184 1.00 0.00 C ATOM 994 OD1 ASP A 61 15.853 -14.241 0.757 1.00 0.00 O ATOM 995 OD2 ASP A 61 17.580 -13.604 -0.363 1.00 0.00 O ATOM 0 H ASP A 61 13.357 -11.922 -2.171 1.00 0.00 H new ATOM 0 HA ASP A 61 14.533 -12.102 0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.764 -13.698 -1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.054 -12.583 -2.026 1.00 0.00 H new ATOM 1000 N PHE A 62 14.847 -9.443 -0.825 1.00 0.00 N ATOM 1001 CA PHE A 62 15.581 -8.150 -0.921 1.00 0.00 C ATOM 1002 C PHE A 62 15.702 -7.549 0.479 1.00 0.00 C ATOM 1003 O PHE A 62 16.785 -7.280 0.958 1.00 0.00 O ATOM 1004 CB PHE A 62 14.809 -7.186 -1.827 1.00 0.00 C ATOM 1005 CG PHE A 62 15.382 -5.795 -1.686 1.00 0.00 C ATOM 1006 CD1 PHE A 62 15.037 -5.003 -0.583 1.00 0.00 C ATOM 1007 CD2 PHE A 62 16.259 -5.297 -2.658 1.00 0.00 C ATOM 1008 CE1 PHE A 62 15.569 -3.715 -0.451 1.00 0.00 C ATOM 1009 CE2 PHE A 62 16.793 -4.008 -2.527 1.00 0.00 C ATOM 1010 CZ PHE A 62 16.447 -3.217 -1.423 1.00 0.00 C ATOM 0 H PHE A 62 13.836 -9.379 -0.940 1.00 0.00 H new ATOM 0 HA PHE A 62 16.573 -8.317 -1.341 1.00 0.00 H new ATOM 0 HB2 PHE A 62 14.874 -7.514 -2.864 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.753 -7.185 -1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.360 -5.387 0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 62 16.524 -5.907 -3.509 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.303 -3.105 0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.470 -3.625 -3.276 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.857 -2.223 -1.321 1.00 0.00 H new ATOM 1020 N GLY A 63 14.599 -7.349 1.144 1.00 0.00 N ATOM 1021 CA GLY A 63 14.656 -6.781 2.518 1.00 0.00 C ATOM 1022 C GLY A 63 15.127 -7.869 3.481 1.00 0.00 C ATOM 1023 O GLY A 63 16.039 -7.670 4.259 1.00 0.00 O ATOM 0 H GLY A 63 13.662 -7.554 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.337 -5.931 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.674 -6.413 2.815 1.00 0.00 H new ATOM 1027 N LYS A 64 14.512 -9.023 3.428 1.00 0.00 N ATOM 1028 CA LYS A 64 14.919 -10.139 4.330 1.00 0.00 C ATOM 1029 C LYS A 64 15.220 -9.587 5.726 1.00 0.00 C ATOM 1030 O LYS A 64 16.020 -10.131 6.461 1.00 0.00 O ATOM 1031 CB LYS A 64 16.168 -10.819 3.763 1.00 0.00 C ATOM 1032 CG LYS A 64 17.339 -9.834 3.780 1.00 0.00 C ATOM 1033 CD LYS A 64 18.622 -10.557 3.366 1.00 0.00 C ATOM 1034 CE LYS A 64 19.835 -9.739 3.814 1.00 0.00 C ATOM 1035 NZ LYS A 64 20.224 -8.794 2.729 1.00 0.00 N ATOM 0 H LYS A 64 13.742 -9.240 2.795 1.00 0.00 H new ATOM 0 HA LYS A 64 14.110 -10.866 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.413 -11.702 4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.979 -11.158 2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.141 -9.005 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.455 -9.408 4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 64 18.654 -11.550 3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 64 18.642 -10.695 2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.599 -9.188 4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 64 20.668 -10.402 4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 21.048 -8.237 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 20.465 -9.330 1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.430 -8.154 2.525 1.00 0.00 H new ATOM 1049 N ARG A 65 14.587 -8.506 6.092 1.00 0.00 N ATOM 1050 CA ARG A 65 14.835 -7.913 7.435 1.00 0.00 C ATOM 1051 C ARG A 65 13.506 -7.478 8.052 1.00 0.00 C ATOM 1052 O ARG A 65 13.468 -6.724 9.003 1.00 0.00 O ATOM 1053 CB ARG A 65 15.748 -6.694 7.287 1.00 0.00 C ATOM 1054 CG ARG A 65 16.573 -6.514 8.563 1.00 0.00 C ATOM 1055 CD ARG A 65 17.971 -6.012 8.199 1.00 0.00 C ATOM 1056 NE ARG A 65 18.855 -6.097 9.393 1.00 0.00 N ATOM 1057 CZ ARG A 65 20.126 -5.826 9.283 1.00 0.00 C ATOM 1058 NH1 ARG A 65 20.508 -4.638 8.901 1.00 0.00 N ATOM 1059 NH2 ARG A 65 21.014 -6.743 9.553 1.00 0.00 N ATOM 0 H ARG A 65 13.908 -8.008 5.517 1.00 0.00 H new ATOM 0 HA ARG A 65 15.311 -8.652 8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.409 -6.824 6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.152 -5.801 7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.082 -5.805 9.229 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.643 -7.460 9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.383 -6.609 7.385 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.919 -4.983 7.845 1.00 0.00 H new ATOM 0 HE ARG A 65 18.467 -6.367 10.297 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.813 -3.922 8.689 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.502 -4.425 8.815 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.714 -7.672 9.850 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.008 -6.531 9.467 1.00 0.00 H new ATOM 1073 N MET A 66 12.413 -7.946 7.515 1.00 0.00 N ATOM 1074 CA MET A 66 11.087 -7.556 8.069 1.00 0.00 C ATOM 1075 C MET A 66 10.877 -6.053 7.874 1.00 0.00 C ATOM 1076 O MET A 66 11.543 -5.423 7.077 1.00 0.00 O ATOM 1077 CB MET A 66 11.040 -7.892 9.562 1.00 0.00 C ATOM 1078 CG MET A 66 11.442 -9.354 9.768 1.00 0.00 C ATOM 1079 SD MET A 66 12.486 -9.493 11.240 1.00 0.00 S ATOM 1080 CE MET A 66 12.363 -11.288 11.435 1.00 0.00 C ATOM 0 H MET A 66 12.381 -8.581 6.717 1.00 0.00 H new ATOM 0 HA MET A 66 10.299 -8.102 7.550 1.00 0.00 H new ATOM 0 HB2 MET A 66 11.714 -7.237 10.115 1.00 0.00 H new ATOM 0 HB3 MET A 66 10.037 -7.721 9.953 1.00 0.00 H new ATOM 0 HG2 MET A 66 10.553 -9.974 9.880 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.978 -9.721 8.893 1.00 0.00 H new ATOM 0 HE1 MET A 66 12.944 -11.600 12.302 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.319 -11.568 11.578 1.00 0.00 H new ATOM 0 HE3 MET A 66 12.751 -11.778 10.542 1.00 0.00 H new ATOM 1090 N PHE A 67 9.957 -5.473 8.594 1.00 0.00 N ATOM 1091 CA PHE A 67 9.706 -4.010 8.444 1.00 0.00 C ATOM 1092 C PHE A 67 9.556 -3.675 6.959 1.00 0.00 C ATOM 1093 O PHE A 67 9.765 -2.554 6.543 1.00 0.00 O ATOM 1094 CB PHE A 67 10.878 -3.210 9.028 1.00 0.00 C ATOM 1095 CG PHE A 67 11.624 -4.050 10.041 1.00 0.00 C ATOM 1096 CD1 PHE A 67 10.913 -4.777 11.004 1.00 0.00 C ATOM 1097 CD2 PHE A 67 13.024 -4.101 10.015 1.00 0.00 C ATOM 1098 CE1 PHE A 67 11.601 -5.557 11.943 1.00 0.00 C ATOM 1099 CE2 PHE A 67 13.712 -4.881 10.955 1.00 0.00 C ATOM 1100 CZ PHE A 67 13.001 -5.608 11.918 1.00 0.00 C ATOM 0 H PHE A 67 9.368 -5.947 9.279 1.00 0.00 H new ATOM 0 HA PHE A 67 8.794 -3.747 8.980 1.00 0.00 H new ATOM 0 HB2 PHE A 67 11.554 -2.903 8.229 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.508 -2.300 9.500 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.834 -4.736 11.023 1.00 0.00 H new ATOM 0 HD2 PHE A 67 13.572 -3.540 9.272 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.053 -6.118 12.685 1.00 0.00 H new ATOM 0 HE2 PHE A 67 14.791 -4.921 10.937 1.00 0.00 H new ATOM 0 HZ PHE A 67 13.532 -6.208 12.642 1.00 0.00 H new ATOM 1110 N VAL A 68 9.203 -4.640 6.155 1.00 0.00 N ATOM 1111 CA VAL A 68 9.047 -4.378 4.698 1.00 0.00 C ATOM 1112 C VAL A 68 8.203 -5.489 4.066 1.00 0.00 C ATOM 1113 O VAL A 68 8.505 -6.658 4.196 1.00 0.00 O ATOM 1114 CB VAL A 68 10.429 -4.351 4.045 1.00 0.00 C ATOM 1115 CG1 VAL A 68 11.049 -5.748 4.091 1.00 0.00 C ATOM 1116 CG2 VAL A 68 10.297 -3.905 2.588 1.00 0.00 C ATOM 0 H VAL A 68 9.016 -5.600 6.445 1.00 0.00 H new ATOM 0 HA VAL A 68 8.550 -3.419 4.547 1.00 0.00 H new ATOM 0 HB VAL A 68 11.068 -3.653 4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.034 -5.725 3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.146 -6.069 5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.409 -6.448 3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.282 -3.886 2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.655 -4.603 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.859 -2.908 2.551 1.00 0.00 H new ATOM 1126 N PHE A 69 7.149 -5.135 3.380 1.00 0.00 N ATOM 1127 CA PHE A 69 6.297 -6.180 2.743 1.00 0.00 C ATOM 1128 C PHE A 69 6.338 -6.022 1.221 1.00 0.00 C ATOM 1129 O PHE A 69 6.794 -5.023 0.700 1.00 0.00 O ATOM 1130 CB PHE A 69 4.850 -6.052 3.244 1.00 0.00 C ATOM 1131 CG PHE A 69 4.174 -4.848 2.620 1.00 0.00 C ATOM 1132 CD1 PHE A 69 3.831 -4.854 1.260 1.00 0.00 C ATOM 1133 CD2 PHE A 69 3.877 -3.727 3.409 1.00 0.00 C ATOM 1134 CE1 PHE A 69 3.199 -3.742 0.690 1.00 0.00 C ATOM 1135 CE2 PHE A 69 3.241 -2.616 2.838 1.00 0.00 C ATOM 1136 CZ PHE A 69 2.903 -2.623 1.478 1.00 0.00 C ATOM 0 H PHE A 69 6.843 -4.173 3.234 1.00 0.00 H new ATOM 0 HA PHE A 69 6.679 -7.165 3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.293 -6.956 2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.842 -5.958 4.330 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.055 -5.718 0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.138 -3.720 4.457 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.940 -3.747 -0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.011 -1.754 3.447 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.415 -1.766 1.038 1.00 0.00 H new ATOM 1146 N LYS A 70 5.855 -7.002 0.508 1.00 0.00 N ATOM 1147 CA LYS A 70 5.853 -6.918 -0.979 1.00 0.00 C ATOM 1148 C LYS A 70 4.426 -7.125 -1.490 1.00 0.00 C ATOM 1149 O LYS A 70 3.891 -8.215 -1.436 1.00 0.00 O ATOM 1150 CB LYS A 70 6.767 -8.006 -1.551 1.00 0.00 C ATOM 1151 CG LYS A 70 6.518 -8.151 -3.053 1.00 0.00 C ATOM 1152 CD LYS A 70 5.940 -9.538 -3.345 1.00 0.00 C ATOM 1153 CE LYS A 70 6.864 -10.608 -2.763 1.00 0.00 C ATOM 1154 NZ LYS A 70 6.831 -11.818 -3.632 1.00 0.00 N ATOM 0 H LYS A 70 5.460 -7.860 0.893 1.00 0.00 H new ATOM 0 HA LYS A 70 6.216 -5.940 -1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.811 -7.751 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.578 -8.954 -1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.828 -7.379 -3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.449 -8.011 -3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.944 -9.627 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.833 -9.680 -4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.882 -10.225 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.549 -10.865 -1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.459 -12.546 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.859 -12.186 -3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.151 -11.567 -4.589 1.00 0.00 H new ATOM 1168 N ILE A 71 3.802 -6.088 -1.978 1.00 0.00 N ATOM 1169 CA ILE A 71 2.407 -6.231 -2.481 1.00 0.00 C ATOM 1170 C ILE A 71 2.431 -6.592 -3.970 1.00 0.00 C ATOM 1171 O ILE A 71 3.441 -6.481 -4.634 1.00 0.00 O ATOM 1172 CB ILE A 71 1.647 -4.910 -2.263 1.00 0.00 C ATOM 1173 CG1 ILE A 71 0.996 -4.929 -0.881 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.553 -4.726 -3.326 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.580 -3.510 -0.494 1.00 0.00 C ATOM 0 H ILE A 71 4.197 -5.150 -2.050 1.00 0.00 H new ATOM 0 HA ILE A 71 1.899 -7.027 -1.936 1.00 0.00 H new ATOM 0 HB ILE A 71 2.355 -4.085 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.126 -5.586 -0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.693 -5.329 -0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.030 -3.786 -3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.007 -4.710 -4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.156 -5.552 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.115 -3.523 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.459 -2.866 -0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.132 -3.127 -1.225 1.00 0.00 H new ATOM 1187 N THR A 72 1.313 -7.010 -4.490 1.00 0.00 N ATOM 1188 CA THR A 72 1.235 -7.370 -5.932 1.00 0.00 C ATOM 1189 C THR A 72 -0.182 -7.064 -6.422 1.00 0.00 C ATOM 1190 O THR A 72 -1.065 -7.895 -6.360 1.00 0.00 O ATOM 1191 CB THR A 72 1.541 -8.861 -6.110 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.941 -9.070 -5.989 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.074 -9.327 -7.491 1.00 0.00 C ATOM 0 H THR A 72 0.441 -7.119 -3.973 1.00 0.00 H new ATOM 0 HA THR A 72 1.962 -6.797 -6.507 1.00 0.00 H new ATOM 0 HB THR A 72 1.016 -9.431 -5.344 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.379 -8.850 -6.838 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.295 -10.388 -7.611 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.000 -9.167 -7.585 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.594 -8.759 -8.262 1.00 0.00 H new ATOM 1201 N THR A 73 -0.411 -5.869 -6.890 1.00 0.00 N ATOM 1202 CA THR A 73 -1.779 -5.508 -7.362 1.00 0.00 C ATOM 1203 C THR A 73 -2.314 -6.616 -8.268 1.00 0.00 C ATOM 1204 O THR A 73 -1.616 -7.553 -8.598 1.00 0.00 O ATOM 1205 CB THR A 73 -1.733 -4.191 -8.139 1.00 0.00 C ATOM 1206 OG1 THR A 73 -1.337 -4.445 -9.479 1.00 0.00 O ATOM 1207 CG2 THR A 73 -0.740 -3.232 -7.478 1.00 0.00 C ATOM 0 H THR A 73 0.286 -5.128 -6.966 1.00 0.00 H new ATOM 0 HA THR A 73 -2.435 -5.391 -6.500 1.00 0.00 H new ATOM 0 HB THR A 73 -2.723 -3.735 -8.135 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.840 -3.862 -10.085 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.712 -2.296 -8.036 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.053 -3.034 -6.453 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.253 -3.682 -7.474 1.00 0.00 H new ATOM 1215 N THR A 74 -3.550 -6.518 -8.669 1.00 0.00 N ATOM 1216 CA THR A 74 -4.130 -7.569 -9.553 1.00 0.00 C ATOM 1217 C THR A 74 -3.455 -7.510 -10.925 1.00 0.00 C ATOM 1218 O THR A 74 -3.446 -8.474 -11.665 1.00 0.00 O ATOM 1219 CB THR A 74 -5.638 -7.345 -9.710 1.00 0.00 C ATOM 1220 OG1 THR A 74 -6.083 -7.969 -10.906 1.00 0.00 O ATOM 1221 CG2 THR A 74 -5.937 -5.847 -9.774 1.00 0.00 C ATOM 0 H THR A 74 -4.184 -5.757 -8.424 1.00 0.00 H new ATOM 0 HA THR A 74 -3.961 -8.549 -9.106 1.00 0.00 H new ATOM 0 HB THR A 74 -6.158 -7.777 -8.855 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.047 -7.829 -11.009 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.011 -5.695 -9.886 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.596 -5.368 -8.856 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.418 -5.408 -10.626 1.00 0.00 H new ATOM 1229 N LYS A 75 -2.881 -6.389 -11.268 1.00 0.00 N ATOM 1230 CA LYS A 75 -2.199 -6.275 -12.589 1.00 0.00 C ATOM 1231 C LYS A 75 -0.875 -7.044 -12.540 1.00 0.00 C ATOM 1232 O LYS A 75 -0.190 -7.187 -13.533 1.00 0.00 O ATOM 1233 CB LYS A 75 -1.924 -4.802 -12.901 1.00 0.00 C ATOM 1234 CG LYS A 75 -2.595 -4.426 -14.223 1.00 0.00 C ATOM 1235 CD LYS A 75 -1.690 -3.473 -15.007 1.00 0.00 C ATOM 1236 CE LYS A 75 -1.387 -2.238 -14.156 1.00 0.00 C ATOM 1237 NZ LYS A 75 -1.595 -1.009 -14.972 1.00 0.00 N ATOM 0 H LYS A 75 -2.855 -5.548 -10.691 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.838 -6.693 -13.367 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.303 -4.172 -12.096 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.850 -4.627 -12.963 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.791 -5.323 -14.811 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.558 -3.953 -14.032 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.762 -3.977 -15.278 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.175 -3.176 -15.937 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.035 -2.219 -13.280 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.360 -2.277 -13.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.389 -0.169 -14.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.959 -1.027 -15.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.582 -0.971 -15.298 1.00 0.00 H new ATOM 1251 N GLN A 76 -0.514 -7.541 -11.385 1.00 0.00 N ATOM 1252 CA GLN A 76 0.759 -8.305 -11.256 1.00 0.00 C ATOM 1253 C GLN A 76 1.941 -7.334 -11.175 1.00 0.00 C ATOM 1254 O GLN A 76 3.008 -7.599 -11.692 1.00 0.00 O ATOM 1255 CB GLN A 76 0.934 -9.227 -12.463 1.00 0.00 C ATOM 1256 CG GLN A 76 -0.422 -9.820 -12.856 1.00 0.00 C ATOM 1257 CD GLN A 76 -0.337 -11.346 -12.838 1.00 0.00 C ATOM 1258 OE1 GLN A 76 0.215 -11.925 -11.925 1.00 0.00 O ATOM 1259 NE2 GLN A 76 -0.867 -12.029 -13.817 1.00 0.00 N ATOM 0 H GLN A 76 -1.050 -7.449 -10.522 1.00 0.00 H new ATOM 0 HA GLN A 76 0.724 -8.905 -10.347 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.356 -8.671 -13.300 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.636 -10.026 -12.225 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.193 -9.480 -12.165 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.708 -9.473 -13.849 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.331 -11.544 -14.585 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.817 -13.048 -13.814 1.00 0.00 H new ATOM 1268 N GLN A 77 1.764 -6.218 -10.521 1.00 0.00 N ATOM 1269 CA GLN A 77 2.885 -5.240 -10.399 1.00 0.00 C ATOM 1270 C GLN A 77 3.380 -5.243 -8.954 1.00 0.00 C ATOM 1271 O GLN A 77 2.889 -4.514 -8.115 1.00 0.00 O ATOM 1272 CB GLN A 77 2.401 -3.837 -10.777 1.00 0.00 C ATOM 1273 CG GLN A 77 0.915 -3.701 -10.448 1.00 0.00 C ATOM 1274 CD GLN A 77 0.516 -2.224 -10.483 1.00 0.00 C ATOM 1275 OE1 GLN A 77 1.229 -1.380 -9.981 1.00 0.00 O ATOM 1276 NE2 GLN A 77 -0.603 -1.876 -11.058 1.00 0.00 N ATOM 0 H GLN A 77 0.894 -5.941 -10.067 1.00 0.00 H new ATOM 0 HA GLN A 77 3.695 -5.522 -11.072 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.974 -3.085 -10.234 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.566 -3.658 -11.839 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.320 -4.266 -11.165 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.710 -4.121 -9.463 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.202 -2.586 -11.480 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.878 -0.894 -11.086 1.00 0.00 H new ATOM 1285 N ASP A 78 4.341 -6.072 -8.655 1.00 0.00 N ATOM 1286 CA ASP A 78 4.863 -6.145 -7.263 1.00 0.00 C ATOM 1287 C ASP A 78 5.281 -4.755 -6.778 1.00 0.00 C ATOM 1288 O ASP A 78 5.531 -3.857 -7.558 1.00 0.00 O ATOM 1289 CB ASP A 78 6.072 -7.082 -7.225 1.00 0.00 C ATOM 1290 CG ASP A 78 5.761 -8.352 -8.020 1.00 0.00 C ATOM 1291 OD1 ASP A 78 4.603 -8.559 -8.341 1.00 0.00 O ATOM 1292 OD2 ASP A 78 6.688 -9.096 -8.294 1.00 0.00 O ATOM 0 H ASP A 78 4.789 -6.705 -9.318 1.00 0.00 H new ATOM 0 HA ASP A 78 4.078 -6.525 -6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.945 -6.583 -7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.315 -7.337 -6.194 1.00 0.00 H new ATOM 1297 N HIS A 79 5.365 -4.578 -5.486 1.00 0.00 N ATOM 1298 CA HIS A 79 5.774 -3.259 -4.924 1.00 0.00 C ATOM 1299 C HIS A 79 6.480 -3.493 -3.586 1.00 0.00 C ATOM 1300 O HIS A 79 5.943 -4.118 -2.693 1.00 0.00 O ATOM 1301 CB HIS A 79 4.537 -2.386 -4.704 1.00 0.00 C ATOM 1302 CG HIS A 79 4.041 -1.874 -6.029 1.00 0.00 C ATOM 1303 ND1 HIS A 79 4.631 -0.798 -6.673 1.00 0.00 N ATOM 1304 CD2 HIS A 79 3.012 -2.280 -6.842 1.00 0.00 C ATOM 1305 CE1 HIS A 79 3.959 -0.593 -7.820 1.00 0.00 C ATOM 1306 NE2 HIS A 79 2.962 -1.470 -7.972 1.00 0.00 N ATOM 0 H HIS A 79 5.166 -5.297 -4.791 1.00 0.00 H new ATOM 0 HA HIS A 79 6.447 -2.754 -5.617 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.755 -2.963 -4.209 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.781 -1.551 -4.048 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.343 -3.103 -6.636 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.196 0.185 -8.531 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.305 -1.532 -8.750 1.00 0.00 H new ATOM 1314 N PHE A 80 7.682 -3.008 -3.440 1.00 0.00 N ATOM 1315 CA PHE A 80 8.415 -3.220 -2.160 1.00 0.00 C ATOM 1316 C PHE A 80 8.327 -1.961 -1.295 1.00 0.00 C ATOM 1317 O PHE A 80 8.847 -0.918 -1.642 1.00 0.00 O ATOM 1318 CB PHE A 80 9.884 -3.534 -2.454 1.00 0.00 C ATOM 1319 CG PHE A 80 9.994 -4.278 -3.764 1.00 0.00 C ATOM 1320 CD1 PHE A 80 10.116 -3.566 -4.964 1.00 0.00 C ATOM 1321 CD2 PHE A 80 9.975 -5.679 -3.778 1.00 0.00 C ATOM 1322 CE1 PHE A 80 10.220 -4.255 -6.180 1.00 0.00 C ATOM 1323 CE2 PHE A 80 10.079 -6.368 -4.993 1.00 0.00 C ATOM 1324 CZ PHE A 80 10.201 -5.656 -6.195 1.00 0.00 C ATOM 0 H PHE A 80 8.187 -2.476 -4.149 1.00 0.00 H new ATOM 0 HA PHE A 80 7.964 -4.056 -1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.461 -2.610 -2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.306 -4.134 -1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.130 -2.486 -4.952 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.880 -6.227 -2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.315 -3.706 -7.105 1.00 0.00 H new ATOM 0 HE2 PHE A 80 10.065 -7.448 -5.004 1.00 0.00 H new ATOM 0 HZ PHE A 80 10.280 -6.187 -7.132 1.00 0.00 H new ATOM 1334 N PHE A 81 7.677 -2.054 -0.168 1.00 0.00 N ATOM 1335 CA PHE A 81 7.553 -0.870 0.728 1.00 0.00 C ATOM 1336 C PHE A 81 8.213 -1.207 2.072 1.00 0.00 C ATOM 1337 O PHE A 81 8.232 -2.346 2.492 1.00 0.00 O ATOM 1338 CB PHE A 81 6.053 -0.522 0.872 1.00 0.00 C ATOM 1339 CG PHE A 81 5.614 -0.378 2.316 1.00 0.00 C ATOM 1340 CD1 PHE A 81 5.737 -1.449 3.212 1.00 0.00 C ATOM 1341 CD2 PHE A 81 5.052 0.831 2.745 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.300 -1.307 4.536 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.618 0.973 4.067 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.742 -0.095 4.962 1.00 0.00 C ATOM 0 H PHE A 81 7.225 -2.903 0.172 1.00 0.00 H new ATOM 0 HA PHE A 81 8.059 0.005 0.321 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.849 0.408 0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.458 -1.299 0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.168 -2.383 2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.954 1.655 2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.393 -2.131 5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.187 1.907 4.397 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.407 0.015 5.983 1.00 0.00 H new ATOM 1354 N GLN A 82 8.769 -0.233 2.740 1.00 0.00 N ATOM 1355 CA GLN A 82 9.440 -0.515 4.041 1.00 0.00 C ATOM 1356 C GLN A 82 9.099 0.578 5.055 1.00 0.00 C ATOM 1357 O GLN A 82 9.163 1.754 4.762 1.00 0.00 O ATOM 1358 CB GLN A 82 10.957 -0.552 3.829 1.00 0.00 C ATOM 1359 CG GLN A 82 11.665 -0.546 5.186 1.00 0.00 C ATOM 1360 CD GLN A 82 12.962 -1.350 5.087 1.00 0.00 C ATOM 1361 OE1 GLN A 82 13.388 -1.958 6.049 1.00 0.00 O ATOM 1362 NE2 GLN A 82 13.612 -1.381 3.956 1.00 0.00 N ATOM 0 H GLN A 82 8.788 0.742 2.442 1.00 0.00 H new ATOM 0 HA GLN A 82 9.094 -1.476 4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.234 -1.444 3.267 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.273 0.308 3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.881 0.478 5.491 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.016 -0.975 5.949 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.255 -0.871 3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.477 -1.915 3.880 1.00 0.00 H new ATOM 1371 N ALA A 83 8.750 0.194 6.251 1.00 0.00 N ATOM 1372 CA ALA A 83 8.415 1.200 7.294 1.00 0.00 C ATOM 1373 C ALA A 83 9.688 1.579 8.055 1.00 0.00 C ATOM 1374 O ALA A 83 10.788 1.364 7.587 1.00 0.00 O ATOM 1375 CB ALA A 83 7.401 0.597 8.267 1.00 0.00 C ATOM 0 H ALA A 83 8.682 -0.778 6.551 1.00 0.00 H new ATOM 0 HA ALA A 83 7.990 2.089 6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.152 1.330 9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.498 0.318 7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.830 -0.288 8.737 1.00 0.00 H new ATOM 1381 N ALA A 84 9.549 2.137 9.227 1.00 0.00 N ATOM 1382 CA ALA A 84 10.754 2.523 10.015 1.00 0.00 C ATOM 1383 C ALA A 84 10.937 1.547 11.181 1.00 0.00 C ATOM 1384 O ALA A 84 11.880 1.642 11.942 1.00 0.00 O ATOM 1385 CB ALA A 84 10.572 3.939 10.563 1.00 0.00 C ATOM 0 H ALA A 84 8.654 2.342 9.672 1.00 0.00 H new ATOM 0 HA ALA A 84 11.633 2.491 9.372 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.453 4.222 11.139 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.441 4.636 9.735 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.692 3.970 11.206 1.00 0.00 H new ATOM 1391 N PHE A 85 10.043 0.609 11.326 1.00 0.00 N ATOM 1392 CA PHE A 85 10.160 -0.376 12.440 1.00 0.00 C ATOM 1393 C PHE A 85 9.088 -1.453 12.267 1.00 0.00 C ATOM 1394 O PHE A 85 8.175 -1.308 11.478 1.00 0.00 O ATOM 1395 CB PHE A 85 9.972 0.320 13.801 1.00 0.00 C ATOM 1396 CG PHE A 85 9.544 1.759 13.610 1.00 0.00 C ATOM 1397 CD1 PHE A 85 8.403 2.057 12.852 1.00 0.00 C ATOM 1398 CD2 PHE A 85 10.287 2.794 14.193 1.00 0.00 C ATOM 1399 CE1 PHE A 85 8.007 3.390 12.677 1.00 0.00 C ATOM 1400 CE2 PHE A 85 9.891 4.126 14.017 1.00 0.00 C ATOM 1401 CZ PHE A 85 8.751 4.425 13.259 1.00 0.00 C ATOM 0 H PHE A 85 9.233 0.481 10.719 1.00 0.00 H new ATOM 0 HA PHE A 85 11.153 -0.825 12.414 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.223 -0.213 14.387 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.904 0.284 14.365 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.829 1.260 12.403 1.00 0.00 H new ATOM 0 HD2 PHE A 85 11.165 2.565 14.778 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.128 3.620 12.093 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.465 4.923 14.466 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.446 5.452 13.123 1.00 0.00 H new ATOM 1411 N LEU A 86 9.190 -2.534 12.989 1.00 0.00 N ATOM 1412 CA LEU A 86 8.171 -3.612 12.852 1.00 0.00 C ATOM 1413 C LEU A 86 6.819 -3.105 13.354 1.00 0.00 C ATOM 1414 O LEU A 86 5.791 -3.708 13.112 1.00 0.00 O ATOM 1415 CB LEU A 86 8.589 -4.831 13.674 1.00 0.00 C ATOM 1416 CG LEU A 86 7.431 -5.828 13.712 1.00 0.00 C ATOM 1417 CD1 LEU A 86 7.035 -6.204 12.283 1.00 0.00 C ATOM 1418 CD2 LEU A 86 7.866 -7.085 14.466 1.00 0.00 C ATOM 0 H LEU A 86 9.931 -2.717 13.665 1.00 0.00 H new ATOM 0 HA LEU A 86 8.091 -3.894 11.802 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.472 -5.296 13.235 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.858 -4.528 14.686 1.00 0.00 H new ATOM 0 HG LEU A 86 6.579 -5.376 14.219 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.209 -6.915 12.309 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.726 -5.309 11.744 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.887 -6.657 11.776 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.041 -7.797 14.494 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.718 -7.537 13.959 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.150 -6.819 15.484 1.00 0.00 H new ATOM 1430 N GLU A 87 6.807 -2.005 14.052 1.00 0.00 N ATOM 1431 CA GLU A 87 5.517 -1.465 14.565 1.00 0.00 C ATOM 1432 C GLU A 87 4.704 -0.909 13.395 1.00 0.00 C ATOM 1433 O GLU A 87 3.669 -1.435 13.037 1.00 0.00 O ATOM 1434 CB GLU A 87 5.796 -0.348 15.572 1.00 0.00 C ATOM 1435 CG GLU A 87 5.280 -0.764 16.951 1.00 0.00 C ATOM 1436 CD GLU A 87 6.431 -0.740 17.958 1.00 0.00 C ATOM 1437 OE1 GLU A 87 7.165 0.233 17.964 1.00 0.00 O ATOM 1438 OE2 GLU A 87 6.558 -1.696 18.705 1.00 0.00 O ATOM 0 H GLU A 87 7.633 -1.456 14.290 1.00 0.00 H new ATOM 0 HA GLU A 87 4.955 -2.260 15.055 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.866 -0.144 15.618 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.310 0.574 15.253 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.488 -0.088 17.273 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.847 -1.763 16.902 1.00 0.00 H new ATOM 1445 N GLU A 88 5.170 0.150 12.792 1.00 0.00 N ATOM 1446 CA GLU A 88 4.431 0.738 11.642 1.00 0.00 C ATOM 1447 C GLU A 88 4.440 -0.252 10.477 1.00 0.00 C ATOM 1448 O GLU A 88 3.689 -0.118 9.531 1.00 0.00 O ATOM 1449 CB GLU A 88 5.112 2.038 11.209 1.00 0.00 C ATOM 1450 CG GLU A 88 4.049 3.047 10.775 1.00 0.00 C ATOM 1451 CD GLU A 88 4.112 4.279 11.680 1.00 0.00 C ATOM 1452 OE1 GLU A 88 5.175 4.537 12.222 1.00 0.00 O ATOM 1453 OE2 GLU A 88 3.098 4.944 11.814 1.00 0.00 O ATOM 0 H GLU A 88 6.031 0.633 13.047 1.00 0.00 H new ATOM 0 HA GLU A 88 3.403 0.947 11.937 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.701 2.444 12.031 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.802 1.844 10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.211 3.337 9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.059 2.594 10.829 1.00 0.00 H new ATOM 1460 N ARG A 89 5.284 -1.247 10.535 1.00 0.00 N ATOM 1461 CA ARG A 89 5.338 -2.243 9.428 1.00 0.00 C ATOM 1462 C ARG A 89 4.144 -3.192 9.532 1.00 0.00 C ATOM 1463 O ARG A 89 3.425 -3.402 8.580 1.00 0.00 O ATOM 1464 CB ARG A 89 6.634 -3.050 9.522 1.00 0.00 C ATOM 1465 CG ARG A 89 6.561 -4.241 8.561 1.00 0.00 C ATOM 1466 CD ARG A 89 6.685 -5.545 9.353 1.00 0.00 C ATOM 1467 NE ARG A 89 6.888 -6.681 8.410 1.00 0.00 N ATOM 1468 CZ ARG A 89 6.421 -7.864 8.703 1.00 0.00 C ATOM 1469 NH1 ARG A 89 5.171 -8.150 8.461 1.00 0.00 N ATOM 1470 NH2 ARG A 89 7.204 -8.763 9.235 1.00 0.00 N ATOM 0 H ARG A 89 5.937 -1.412 11.301 1.00 0.00 H new ATOM 0 HA ARG A 89 5.305 -1.718 8.473 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.487 -2.419 9.273 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.784 -3.401 10.543 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.618 -4.223 8.014 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.359 -4.175 7.822 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.521 -5.482 10.049 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.787 -5.708 9.948 1.00 0.00 H new ATOM 0 HE ARG A 89 7.392 -6.534 7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.559 -7.449 8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 89 4.806 -9.074 8.690 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.182 -8.541 9.422 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.838 -9.687 9.464 1.00 0.00 H new ATOM 1484 N ASP A 90 3.929 -3.773 10.681 1.00 0.00 N ATOM 1485 CA ASP A 90 2.780 -4.709 10.834 1.00 0.00 C ATOM 1486 C ASP A 90 1.468 -3.925 10.748 1.00 0.00 C ATOM 1487 O ASP A 90 0.418 -4.479 10.486 1.00 0.00 O ATOM 1488 CB ASP A 90 2.872 -5.410 12.192 1.00 0.00 C ATOM 1489 CG ASP A 90 2.071 -6.713 12.150 1.00 0.00 C ATOM 1490 OD1 ASP A 90 0.897 -6.654 11.824 1.00 0.00 O ATOM 1491 OD2 ASP A 90 2.646 -7.748 12.445 1.00 0.00 O ATOM 0 H ASP A 90 4.497 -3.640 11.517 1.00 0.00 H new ATOM 0 HA ASP A 90 2.808 -5.454 10.039 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.914 -5.619 12.435 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.486 -4.759 12.976 1.00 0.00 H new ATOM 1496 N ALA A 91 1.518 -2.638 10.965 1.00 0.00 N ATOM 1497 CA ALA A 91 0.273 -1.821 10.895 1.00 0.00 C ATOM 1498 C ALA A 91 0.038 -1.363 9.452 1.00 0.00 C ATOM 1499 O ALA A 91 -1.085 -1.200 9.015 1.00 0.00 O ATOM 1500 CB ALA A 91 0.417 -0.596 11.800 1.00 0.00 C ATOM 0 H ALA A 91 2.367 -2.118 11.188 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.573 -2.423 11.226 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.493 0.002 11.750 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.582 -0.920 12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.265 0.004 11.468 1.00 0.00 H new ATOM 1506 N TRP A 92 1.090 -1.155 8.709 1.00 0.00 N ATOM 1507 CA TRP A 92 0.934 -0.708 7.295 1.00 0.00 C ATOM 1508 C TRP A 92 0.598 -1.911 6.410 1.00 0.00 C ATOM 1509 O TRP A 92 -0.105 -1.795 5.426 1.00 0.00 O ATOM 1510 CB TRP A 92 2.249 -0.095 6.819 1.00 0.00 C ATOM 1511 CG TRP A 92 2.085 1.377 6.611 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.542 2.334 7.450 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.437 2.074 5.508 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.220 3.574 6.931 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.536 3.467 5.736 1.00 0.00 C ATOM 1516 CE3 TRP A 92 0.782 1.636 4.343 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.002 4.394 4.838 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.242 2.565 3.436 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.353 3.940 3.685 1.00 0.00 C ATOM 0 H TRP A 92 2.054 -1.276 9.021 1.00 0.00 H new ATOM 0 HA TRP A 92 0.132 0.027 7.232 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.033 -0.281 7.553 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.564 -0.569 5.889 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.072 2.158 8.374 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.459 4.460 7.376 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.693 0.578 4.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.089 5.453 5.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.260 2.218 2.545 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.063 4.650 2.986 1.00 0.00 H new ATOM 1530 N VAL A 93 1.103 -3.065 6.752 1.00 0.00 N ATOM 1531 CA VAL A 93 0.825 -4.280 5.934 1.00 0.00 C ATOM 1532 C VAL A 93 -0.535 -4.859 6.339 1.00 0.00 C ATOM 1533 O VAL A 93 -1.269 -5.375 5.520 1.00 0.00 O ATOM 1534 CB VAL A 93 1.941 -5.311 6.167 1.00 0.00 C ATOM 1535 CG1 VAL A 93 1.656 -6.129 7.430 1.00 0.00 C ATOM 1536 CG2 VAL A 93 2.021 -6.251 4.965 1.00 0.00 C ATOM 0 H VAL A 93 1.698 -3.219 7.566 1.00 0.00 H new ATOM 0 HA VAL A 93 0.797 -4.024 4.875 1.00 0.00 H new ATOM 0 HB VAL A 93 2.887 -4.784 6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.455 -6.855 7.581 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.603 -5.463 8.291 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.707 -6.653 7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.812 -6.983 5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.069 -6.767 4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.240 -5.674 4.066 1.00 0.00 H new ATOM 1546 N ARG A 94 -0.876 -4.766 7.595 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.189 -5.302 8.051 1.00 0.00 C ATOM 1548 C ARG A 94 -3.302 -4.369 7.570 1.00 0.00 C ATOM 1549 O ARG A 94 -4.434 -4.774 7.391 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.208 -5.380 9.580 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.332 -3.971 10.167 1.00 0.00 C ATOM 1552 CD ARG A 94 -2.395 -4.054 11.693 1.00 0.00 C ATOM 1553 NE ARG A 94 -3.763 -4.475 12.111 1.00 0.00 N ATOM 1554 CZ ARG A 94 -4.785 -3.700 11.872 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -4.693 -2.415 12.081 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -5.900 -4.210 11.426 1.00 0.00 N ATOM 0 H ARG A 94 -0.303 -4.342 8.324 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.343 -6.300 7.640 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.043 -5.997 9.912 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.296 -5.856 9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.481 -3.362 9.861 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -3.228 -3.483 9.782 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.656 -4.766 12.060 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.151 -3.086 12.131 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.900 -5.369 12.584 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.822 -2.016 12.431 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.492 -1.809 11.894 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.973 -5.214 11.264 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.699 -3.604 11.239 1.00 0.00 H new ATOM 1570 N ASP A 95 -2.986 -3.120 7.361 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.021 -2.157 6.893 1.00 0.00 C ATOM 1572 C ASP A 95 -4.125 -2.225 5.366 1.00 0.00 C ATOM 1573 O ASP A 95 -5.202 -2.341 4.816 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.630 -0.743 7.323 1.00 0.00 C ATOM 1575 CG ASP A 95 -4.880 0.134 7.397 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -5.937 -0.341 7.012 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -4.762 1.265 7.839 1.00 0.00 O ATOM 0 H ASP A 95 -2.055 -2.725 7.494 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.986 -2.413 7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.135 -0.771 8.294 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.918 -0.320 6.614 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.018 -2.162 4.674 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.069 -2.233 3.185 1.00 0.00 C ATOM 1584 C ILE A 96 -3.665 -3.585 2.774 1.00 0.00 C ATOM 1585 O ILE A 96 -4.420 -3.680 1.827 1.00 0.00 O ATOM 1586 CB ILE A 96 -1.652 -2.096 2.602 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.237 -0.617 2.606 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -1.637 -2.626 1.164 1.00 0.00 C ATOM 1589 CD1 ILE A 96 0.215 -0.474 2.128 1.00 0.00 C ATOM 0 H ILE A 96 -2.085 -2.065 5.074 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.687 -1.421 2.802 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.953 -2.672 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.899 -0.044 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.340 -0.205 3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.633 -2.529 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.931 -3.676 1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.336 -2.051 0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.498 0.579 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.874 -1.032 2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.305 -0.867 1.115 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.326 -4.630 3.479 1.00 0.00 N ATOM 1602 CA ASN A 97 -3.868 -5.973 3.128 1.00 0.00 C ATOM 1603 C ASN A 97 -5.321 -6.075 3.588 1.00 0.00 C ATOM 1604 O ASN A 97 -6.227 -6.179 2.787 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.039 -7.058 3.818 1.00 0.00 C ATOM 1606 CG ASN A 97 -3.763 -8.402 3.707 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.198 -8.954 4.697 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -3.911 -8.955 2.534 1.00 0.00 N ATOM 0 H ASN A 97 -2.698 -4.612 4.282 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.818 -6.110 2.048 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.053 -7.125 3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.885 -6.801 4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.392 -9.850 2.449 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.546 -8.492 1.702 1.00 0.00 H new ATOM 1615 N LYS A 98 -5.552 -6.051 4.872 1.00 0.00 N ATOM 1616 CA LYS A 98 -6.950 -6.150 5.379 1.00 0.00 C ATOM 1617 C LYS A 98 -7.864 -5.265 4.529 1.00 0.00 C ATOM 1618 O LYS A 98 -9.019 -5.577 4.315 1.00 0.00 O ATOM 1619 CB LYS A 98 -6.999 -5.687 6.837 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.337 -6.094 7.459 1.00 0.00 C ATOM 1621 CD LYS A 98 -8.147 -6.361 8.954 1.00 0.00 C ATOM 1622 CE LYS A 98 -9.504 -6.660 9.596 1.00 0.00 C ATOM 1623 NZ LYS A 98 -9.560 -8.096 9.991 1.00 0.00 N ATOM 0 H LYS A 98 -4.834 -5.967 5.591 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.287 -7.185 5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.176 -6.130 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.876 -4.605 6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.074 -5.304 7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.723 -6.986 6.966 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.470 -7.203 9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.689 -5.496 9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.653 -6.025 10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.308 -6.433 8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.482 -8.300 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.436 -8.693 9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.802 -8.298 10.673 1.00 0.00 H new ATOM 1637 N ALA A 99 -7.354 -4.168 4.039 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.192 -3.267 3.197 1.00 0.00 C ATOM 1639 C ALA A 99 -8.482 -3.950 1.860 1.00 0.00 C ATOM 1640 O ALA A 99 -9.605 -3.983 1.397 1.00 0.00 O ATOM 1641 CB ALA A 99 -7.443 -1.956 2.949 1.00 0.00 C ATOM 0 H ALA A 99 -6.394 -3.857 4.185 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.130 -3.056 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.056 -1.298 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.234 -1.471 3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -6.505 -2.165 2.434 1.00 0.00 H new ATOM 1647 N ILE A 100 -7.476 -4.501 1.237 1.00 0.00 N ATOM 1648 CA ILE A 100 -7.691 -5.189 -0.067 1.00 0.00 C ATOM 1649 C ILE A 100 -8.704 -6.325 0.135 1.00 0.00 C ATOM 1650 O ILE A 100 -9.718 -6.391 -0.532 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.335 -5.731 -0.572 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -5.777 -4.783 -1.634 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.492 -7.128 -1.190 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -5.050 -3.622 -0.952 1.00 0.00 C ATOM 0 H ILE A 100 -6.514 -4.504 1.575 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.088 -4.500 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.656 -5.798 0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.092 -5.319 -2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.586 -4.403 -2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.522 -7.484 -1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.884 -7.815 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.182 -7.078 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.652 -2.946 -1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.748 -3.081 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.231 -4.011 -0.347 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.436 -7.218 1.048 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.381 -8.344 1.290 1.00 0.00 C ATOM 1668 C LYS A 101 -10.714 -7.793 1.796 1.00 0.00 C ATOM 1669 O LYS A 101 -11.709 -8.489 1.842 1.00 0.00 O ATOM 1670 CB LYS A 101 -8.789 -9.293 2.334 1.00 0.00 C ATOM 1671 CG LYS A 101 -8.293 -10.566 1.645 1.00 0.00 C ATOM 1672 CD LYS A 101 -8.429 -11.752 2.602 1.00 0.00 C ATOM 1673 CE LYS A 101 -8.176 -13.054 1.841 1.00 0.00 C ATOM 1674 NZ LYS A 101 -7.894 -14.150 2.811 1.00 0.00 N ATOM 0 H LYS A 101 -7.603 -7.216 1.637 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.544 -8.887 0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.966 -8.806 2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.541 -9.542 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.869 -10.749 0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.253 -10.447 1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.718 -11.654 3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.426 -11.764 3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.044 -13.307 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.334 -12.932 1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.722 -15.036 2.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.053 -13.908 3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.710 -14.272 3.444 1.00 0.00 H new ATOM 1688 N CYS A 102 -10.740 -6.546 2.170 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.009 -5.943 2.669 1.00 0.00 C ATOM 1690 C CYS A 102 -12.826 -5.436 1.480 1.00 0.00 C ATOM 1691 O CYS A 102 -14.041 -5.448 1.498 1.00 0.00 O ATOM 1692 CB CYS A 102 -11.692 -4.773 3.602 1.00 0.00 C ATOM 1693 SG CYS A 102 -12.079 -5.238 5.307 1.00 0.00 S ATOM 0 H CYS A 102 -9.938 -5.916 2.152 1.00 0.00 H new ATOM 0 HA CYS A 102 -12.579 -6.695 3.215 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -10.640 -4.502 3.518 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -12.271 -3.896 3.313 1.00 0.00 H new ATOM 0 HG CYS A 102 -11.807 -4.244 6.100 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.168 -4.991 0.446 1.00 0.00 N ATOM 1700 CA ILE A 103 -12.903 -4.486 -0.745 1.00 0.00 C ATOM 1701 C ILE A 103 -13.399 -5.682 -1.568 1.00 0.00 C ATOM 1702 O ILE A 103 -14.425 -5.617 -2.218 1.00 0.00 O ATOM 1703 CB ILE A 103 -11.961 -3.588 -1.574 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.168 -2.129 -1.137 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -12.253 -3.732 -3.074 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -11.622 -1.163 -2.192 1.00 0.00 C ATOM 0 H ILE A 103 -11.151 -4.956 0.375 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.766 -3.893 -0.443 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.928 -3.890 -1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -13.230 -1.939 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.667 -1.955 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.577 -3.090 -3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -12.106 -4.769 -3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -13.284 -3.439 -3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -11.779 -0.136 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -10.555 -1.340 -2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -12.142 -1.324 -3.136 1.00 0.00 H new ATOM 1718 N GLU A 104 -12.685 -6.774 -1.539 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.123 -7.969 -2.314 1.00 0.00 C ATOM 1720 C GLU A 104 -14.333 -8.606 -1.624 1.00 0.00 C ATOM 1721 O GLU A 104 -14.928 -9.538 -2.127 1.00 0.00 O ATOM 1722 CB GLU A 104 -11.979 -8.982 -2.377 1.00 0.00 C ATOM 1723 CG GLU A 104 -10.791 -8.364 -3.115 1.00 0.00 C ATOM 1724 CD GLU A 104 -10.490 -9.182 -4.372 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -11.432 -9.580 -5.036 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -9.321 -9.396 -4.648 1.00 0.00 O ATOM 0 H GLU A 104 -11.819 -6.890 -1.013 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.397 -7.668 -3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.683 -9.275 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.308 -9.887 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.014 -7.332 -3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.917 -8.342 -2.465 1.00 0.00 H new ATOM 1733 N GLY A 105 -14.701 -8.106 -0.478 1.00 0.00 N ATOM 1734 CA GLY A 105 -15.872 -8.674 0.248 1.00 0.00 C ATOM 1735 C GLY A 105 -16.791 -7.536 0.688 1.00 0.00 C ATOM 1736 O GLY A 105 -17.673 -7.713 1.506 1.00 0.00 O ATOM 0 H GLY A 105 -14.240 -7.325 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -16.414 -9.366 -0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -15.536 -9.242 1.115 1.00 0.00 H new ATOM 1740 N LEU A 106 -16.588 -6.369 0.150 1.00 0.00 N ATOM 1741 CA LEU A 106 -17.441 -5.210 0.526 1.00 0.00 C ATOM 1742 C LEU A 106 -18.479 -4.974 -0.565 1.00 0.00 C ATOM 1743 O LEU A 106 -18.562 -3.911 -1.148 1.00 0.00 O ATOM 1744 CB LEU A 106 -16.568 -3.964 0.686 1.00 0.00 C ATOM 1745 CG LEU A 106 -16.585 -3.512 2.147 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -15.788 -2.215 2.288 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -18.029 -3.273 2.590 1.00 0.00 C ATOM 0 H LEU A 106 -15.863 -6.166 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 106 -17.947 -5.418 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -15.546 -4.180 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.936 -3.165 0.043 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.136 -4.284 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -15.800 -1.892 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -14.759 -2.384 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -16.237 -1.442 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -18.042 -2.951 3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -18.478 -2.500 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -18.598 -4.197 2.489 1.00 0.00 H new