USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 649 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 59 HIS : no HD1:sc= -9.48! C(o=-9.1!,f=-8.5!) USER MOD Set 1.2: A 61 TYR OH : rot -5:sc= 0.364 USER MOD Single : A 8 THR OG1 : rot -20:sc= 0.762 USER MOD Single : A 9 TYR OH : rot 175:sc= 0.013 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 52:sc= -0.925! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -3.29! C(o=-3.3!,f=-4.5!) USER MOD Single : A 26 THR OG1 : rot -72:sc= 0.8 USER MOD Single : A 28 ASN : amide:sc=-0.00883 K(o=-0.0088,f=-1) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0143 K(o=-0.014,f=-1.9!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc=-3.17e-05 X(o=-3.2e-05,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.932 K(o=0.93,f=-0.46) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.54 K(o=-0.54,f=-3.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0784 K(o=-0.078,f=-1.7) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 27:sc= -0.313! USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 116 N THR A 8 -10.014 4.311 3.535 1.00 0.00 N ATOM 117 CA THR A 8 -9.322 2.999 3.687 1.00 0.00 C ATOM 118 C THR A 8 -8.135 2.927 2.725 1.00 0.00 C ATOM 119 O THR A 8 -8.299 2.777 1.530 1.00 0.00 O ATOM 120 CB THR A 8 -10.303 1.868 3.370 1.00 0.00 C ATOM 121 OG1 THR A 8 -11.313 2.349 2.495 1.00 0.00 O ATOM 122 CG2 THR A 8 -10.943 1.369 4.666 1.00 0.00 C ATOM 0 HA THR A 8 -8.963 2.897 4.711 1.00 0.00 H new ATOM 0 HB THR A 8 -9.769 1.047 2.891 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.347 3.327 2.541 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.642 0.563 4.440 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.167 0.999 5.336 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.477 2.188 5.147 1.00 0.00 H new ATOM 130 N TYR A 9 -6.938 3.028 3.236 1.00 0.00 N ATOM 131 CA TYR A 9 -5.741 2.960 2.347 1.00 0.00 C ATOM 132 C TYR A 9 -5.623 1.554 1.757 1.00 0.00 C ATOM 133 O TYR A 9 -4.913 1.333 0.796 1.00 0.00 O ATOM 134 CB TYR A 9 -4.475 3.283 3.148 1.00 0.00 C ATOM 135 CG TYR A 9 -4.245 4.776 3.145 1.00 0.00 C ATOM 136 CD1 TYR A 9 -5.336 5.650 3.090 1.00 0.00 C ATOM 137 CD2 TYR A 9 -2.942 5.284 3.194 1.00 0.00 C ATOM 138 CE1 TYR A 9 -5.123 7.033 3.085 1.00 0.00 C ATOM 139 CE2 TYR A 9 -2.729 6.668 3.188 1.00 0.00 C ATOM 140 CZ TYR A 9 -3.820 7.543 3.134 1.00 0.00 C ATOM 141 OH TYR A 9 -3.611 8.907 3.127 1.00 0.00 O ATOM 0 H TYR A 9 -6.736 3.154 4.228 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.852 3.688 1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.577 2.922 4.171 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.616 2.771 2.714 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.342 5.258 3.051 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.100 4.608 3.236 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.965 7.708 3.043 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.723 7.060 3.225 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.656 9.092 3.245 1.00 0.00 H new ATOM 151 N ALA A 10 -6.312 0.601 2.323 1.00 0.00 N ATOM 152 CA ALA A 10 -6.234 -0.789 1.789 1.00 0.00 C ATOM 153 C ALA A 10 -6.557 -0.774 0.293 1.00 0.00 C ATOM 154 O ALA A 10 -6.139 -1.640 -0.450 1.00 0.00 O ATOM 155 CB ALA A 10 -7.245 -1.676 2.520 1.00 0.00 C ATOM 0 H ALA A 10 -6.924 0.724 3.130 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.230 -1.183 1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.187 -2.692 2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.018 -1.684 3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.251 -1.285 2.366 1.00 0.00 H new ATOM 161 N SER A 11 -7.296 0.204 -0.155 1.00 0.00 N ATOM 162 CA SER A 11 -7.645 0.277 -1.600 1.00 0.00 C ATOM 163 C SER A 11 -6.519 0.982 -2.360 1.00 0.00 C ATOM 164 O SER A 11 -6.228 0.664 -3.496 1.00 0.00 O ATOM 165 CB SER A 11 -8.945 1.063 -1.770 1.00 0.00 C ATOM 166 OG SER A 11 -9.772 0.854 -0.632 1.00 0.00 O ATOM 0 H SER A 11 -7.674 0.957 0.420 1.00 0.00 H new ATOM 0 HA SER A 11 -7.775 -0.730 -1.995 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.729 2.125 -1.887 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.462 0.742 -2.674 1.00 0.00 H new ATOM 0 HG SER A 11 -10.606 1.358 -0.737 1.00 0.00 H new ATOM 172 N LEU A 12 -5.881 1.937 -1.741 1.00 0.00 N ATOM 173 CA LEU A 12 -4.773 2.660 -2.427 1.00 0.00 C ATOM 174 C LEU A 12 -3.516 1.790 -2.405 1.00 0.00 C ATOM 175 O LEU A 12 -2.759 1.750 -3.356 1.00 0.00 O ATOM 176 CB LEU A 12 -4.494 3.980 -1.703 1.00 0.00 C ATOM 177 CG LEU A 12 -5.815 4.689 -1.398 1.00 0.00 C ATOM 178 CD1 LEU A 12 -5.671 5.507 -0.114 1.00 0.00 C ATOM 179 CD2 LEU A 12 -6.172 5.623 -2.557 1.00 0.00 C ATOM 0 H LEU A 12 -6.079 2.248 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.057 2.869 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.950 3.791 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.862 4.618 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.603 3.947 -1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.612 6.012 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.416 4.844 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.882 6.249 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.113 6.128 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.383 6.364 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.275 5.042 -3.474 1.00 0.00 H new ATOM 191 N ILE A 13 -3.287 1.092 -1.327 1.00 0.00 N ATOM 192 CA ILE A 13 -2.080 0.223 -1.244 1.00 0.00 C ATOM 193 C ILE A 13 -2.211 -0.918 -2.256 1.00 0.00 C ATOM 194 O ILE A 13 -1.290 -1.216 -2.991 1.00 0.00 O ATOM 195 CB ILE A 13 -1.960 -0.351 0.168 1.00 0.00 C ATOM 196 CG1 ILE A 13 -2.059 0.787 1.187 1.00 0.00 C ATOM 197 CG2 ILE A 13 -0.611 -1.055 0.321 1.00 0.00 C ATOM 198 CD1 ILE A 13 -2.665 0.258 2.487 1.00 0.00 C ATOM 0 H ILE A 13 -3.884 1.086 -0.500 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.189 0.809 -1.469 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.764 -1.067 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.071 1.205 1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.675 1.593 0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.526 -1.464 1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.538 -1.863 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.194 -0.340 0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.735 1.069 3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.661 -0.139 2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.032 -0.533 2.888 1.00 0.00 H new ATOM 210 N ARG A 14 -3.348 -1.558 -2.304 1.00 0.00 N ATOM 211 CA ARG A 14 -3.531 -2.672 -3.275 1.00 0.00 C ATOM 212 C ARG A 14 -3.408 -2.119 -4.699 1.00 0.00 C ATOM 213 O ARG A 14 -2.915 -2.778 -5.592 1.00 0.00 O ATOM 214 CB ARG A 14 -4.916 -3.307 -3.077 1.00 0.00 C ATOM 215 CG ARG A 14 -5.995 -2.415 -3.699 1.00 0.00 C ATOM 216 CD ARG A 14 -7.373 -3.043 -3.468 1.00 0.00 C ATOM 217 NE ARG A 14 -7.462 -4.338 -4.203 1.00 0.00 N ATOM 218 CZ ARG A 14 -8.547 -5.062 -4.123 1.00 0.00 C ATOM 219 NH1 ARG A 14 -9.167 -5.184 -2.982 1.00 0.00 N ATOM 220 NH2 ARG A 14 -9.011 -5.661 -5.186 1.00 0.00 N ATOM 0 H ARG A 14 -4.156 -1.358 -1.714 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.767 -3.433 -3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.941 -4.296 -3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.114 -3.444 -2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.958 -1.420 -3.256 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.812 -2.296 -4.767 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.536 -3.206 -2.403 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.155 -2.365 -3.810 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.676 -4.659 -4.768 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.805 -4.714 -2.152 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.014 -5.749 -2.920 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.527 -5.564 -6.078 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.858 -6.226 -5.124 1.00 0.00 H new ATOM 234 N GLN A 15 -3.850 -0.907 -4.913 1.00 0.00 N ATOM 235 CA GLN A 15 -3.759 -0.303 -6.271 1.00 0.00 C ATOM 236 C GLN A 15 -2.293 -0.232 -6.701 1.00 0.00 C ATOM 237 O GLN A 15 -1.898 -0.820 -7.689 1.00 0.00 O ATOM 238 CB GLN A 15 -4.351 1.107 -6.245 1.00 0.00 C ATOM 239 CG GLN A 15 -5.410 1.236 -7.342 1.00 0.00 C ATOM 240 CD GLN A 15 -6.106 2.595 -7.225 1.00 0.00 C ATOM 241 OE1 GLN A 15 -5.694 3.557 -7.840 1.00 0.00 O ATOM 242 NE2 GLN A 15 -7.153 2.713 -6.454 1.00 0.00 N ATOM 0 H GLN A 15 -4.271 -0.309 -4.202 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.316 -0.917 -6.978 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.795 1.308 -5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.564 1.846 -6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.946 1.137 -8.323 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.141 0.432 -7.252 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.499 1.905 -5.937 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.625 3.613 -6.369 1.00 0.00 H new ATOM 251 N ALA A 16 -1.478 0.478 -5.968 1.00 0.00 N ATOM 252 CA ALA A 16 -0.040 0.575 -6.343 1.00 0.00 C ATOM 253 C ALA A 16 0.515 -0.836 -6.529 1.00 0.00 C ATOM 254 O ALA A 16 1.260 -1.106 -7.450 1.00 0.00 O ATOM 255 CB ALA A 16 0.732 1.289 -5.230 1.00 0.00 C ATOM 0 H ALA A 16 -1.745 0.993 -5.129 1.00 0.00 H new ATOM 0 HA ALA A 16 0.066 1.140 -7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.784 1.360 -5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.325 2.291 -5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.637 0.726 -4.302 1.00 0.00 H new ATOM 261 N ILE A 17 0.138 -1.743 -5.672 1.00 0.00 N ATOM 262 CA ILE A 17 0.624 -3.143 -5.808 1.00 0.00 C ATOM 263 C ILE A 17 -0.016 -3.758 -7.055 1.00 0.00 C ATOM 264 O ILE A 17 0.634 -4.420 -7.839 1.00 0.00 O ATOM 265 CB ILE A 17 0.221 -3.936 -4.560 1.00 0.00 C ATOM 266 CG1 ILE A 17 1.225 -3.654 -3.440 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.211 -5.438 -4.865 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.515 -3.729 -2.087 1.00 0.00 C ATOM 0 H ILE A 17 -0.486 -1.575 -4.883 1.00 0.00 H new ATOM 0 HA ILE A 17 1.709 -3.166 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.779 -3.631 -4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.039 -4.378 -3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.669 -2.668 -3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.077 -5.989 -3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.503 -5.643 -5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.206 -5.752 -5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.230 -3.528 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.284 -2.988 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.092 -4.725 -1.953 1.00 0.00 H new ATOM 280 N LEU A 18 -1.286 -3.531 -7.245 1.00 0.00 N ATOM 281 CA LEU A 18 -1.976 -4.085 -8.442 1.00 0.00 C ATOM 282 C LEU A 18 -1.228 -3.641 -9.701 1.00 0.00 C ATOM 283 O LEU A 18 -1.370 -4.223 -10.759 1.00 0.00 O ATOM 284 CB LEU A 18 -3.410 -3.553 -8.484 1.00 0.00 C ATOM 285 CG LEU A 18 -4.384 -4.670 -8.108 1.00 0.00 C ATOM 286 CD1 LEU A 18 -5.634 -4.060 -7.470 1.00 0.00 C ATOM 287 CD2 LEU A 18 -4.782 -5.444 -9.366 1.00 0.00 C ATOM 0 H LEU A 18 -1.877 -2.983 -6.620 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.992 -5.174 -8.392 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.518 -2.716 -7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.640 -3.177 -9.481 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.906 -5.347 -7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.330 -4.855 -7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.352 -3.506 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.112 -3.384 -8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.476 -6.241 -9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.261 -4.767 -10.073 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.892 -5.877 -9.824 1.00 0.00 H new ATOM 299 N GLU A 19 -0.432 -2.612 -9.594 1.00 0.00 N ATOM 300 CA GLU A 19 0.328 -2.125 -10.781 1.00 0.00 C ATOM 301 C GLU A 19 1.216 -3.250 -11.313 1.00 0.00 C ATOM 302 O GLU A 19 1.640 -3.234 -12.451 1.00 0.00 O ATOM 303 CB GLU A 19 1.200 -0.934 -10.374 1.00 0.00 C ATOM 304 CG GLU A 19 2.151 -0.583 -11.518 1.00 0.00 C ATOM 305 CD GLU A 19 1.349 -0.017 -12.693 1.00 0.00 C ATOM 306 OE1 GLU A 19 0.255 0.469 -12.457 1.00 0.00 O ATOM 307 OE2 GLU A 19 1.842 -0.082 -13.806 1.00 0.00 O ATOM 0 H GLU A 19 -0.275 -2.086 -8.734 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.370 -1.815 -11.559 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.572 -0.076 -10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.768 -1.176 -9.476 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.888 0.147 -11.182 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.701 -1.470 -11.833 1.00 0.00 H new ATOM 314 N SER A 20 1.499 -4.229 -10.498 1.00 0.00 N ATOM 315 CA SER A 20 2.358 -5.358 -10.954 1.00 0.00 C ATOM 316 C SER A 20 1.469 -6.481 -11.497 1.00 0.00 C ATOM 317 O SER A 20 0.263 -6.430 -11.367 1.00 0.00 O ATOM 318 CB SER A 20 3.180 -5.884 -9.777 1.00 0.00 C ATOM 319 OG SER A 20 2.632 -5.388 -8.563 1.00 0.00 O ATOM 0 H SER A 20 1.172 -4.296 -9.534 1.00 0.00 H new ATOM 0 HA SER A 20 3.031 -5.011 -11.738 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.175 -6.974 -9.773 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.219 -5.570 -9.875 1.00 0.00 H new ATOM 0 HG SER A 20 1.671 -5.578 -8.536 1.00 0.00 H new ATOM 325 N PRO A 21 2.096 -7.465 -12.088 1.00 0.00 N ATOM 326 CA PRO A 21 1.389 -8.622 -12.660 1.00 0.00 C ATOM 327 C PRO A 21 0.971 -9.592 -11.550 1.00 0.00 C ATOM 328 O PRO A 21 -0.164 -10.025 -11.487 1.00 0.00 O ATOM 329 CB PRO A 21 2.430 -9.257 -13.586 1.00 0.00 C ATOM 330 CG PRO A 21 3.813 -8.785 -13.076 1.00 0.00 C ATOM 331 CD PRO A 21 3.565 -7.516 -12.238 1.00 0.00 C ATOM 0 HA PRO A 21 0.473 -8.352 -13.185 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.358 -10.344 -13.564 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.271 -8.948 -14.619 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.289 -9.559 -12.474 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.482 -8.574 -13.910 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.063 -7.574 -11.270 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.946 -6.626 -12.740 1.00 0.00 H new ATOM 339 N GLU A 22 1.874 -9.934 -10.674 1.00 0.00 N ATOM 340 CA GLU A 22 1.526 -10.868 -9.573 1.00 0.00 C ATOM 341 C GLU A 22 0.956 -10.079 -8.391 1.00 0.00 C ATOM 342 O GLU A 22 0.748 -10.609 -7.318 1.00 0.00 O ATOM 343 CB GLU A 22 2.780 -11.625 -9.127 1.00 0.00 C ATOM 344 CG GLU A 22 2.767 -13.031 -9.732 1.00 0.00 C ATOM 345 CD GLU A 22 4.203 -13.486 -9.995 1.00 0.00 C ATOM 346 OE1 GLU A 22 4.746 -13.106 -11.019 1.00 0.00 O ATOM 347 OE2 GLU A 22 4.736 -14.207 -9.168 1.00 0.00 O ATOM 0 H GLU A 22 2.839 -9.605 -10.675 1.00 0.00 H new ATOM 0 HA GLU A 22 0.780 -11.580 -9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.674 -11.089 -9.445 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.814 -11.685 -8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.273 -13.726 -9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.197 -13.033 -10.661 1.00 0.00 H new ATOM 354 N LYS A 23 0.696 -8.813 -8.585 1.00 0.00 N ATOM 355 CA LYS A 23 0.136 -7.987 -7.480 1.00 0.00 C ATOM 356 C LYS A 23 1.151 -7.898 -6.340 1.00 0.00 C ATOM 357 O LYS A 23 0.802 -7.968 -5.180 1.00 0.00 O ATOM 358 CB LYS A 23 -1.153 -8.635 -6.971 1.00 0.00 C ATOM 359 CG LYS A 23 -1.860 -7.686 -5.998 1.00 0.00 C ATOM 360 CD LYS A 23 -3.197 -8.295 -5.570 1.00 0.00 C ATOM 361 CE LYS A 23 -4.270 -7.952 -6.605 1.00 0.00 C ATOM 362 NZ LYS A 23 -5.480 -7.425 -5.911 1.00 0.00 N ATOM 0 H LYS A 23 0.848 -8.316 -9.463 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.079 -6.983 -7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.810 -8.867 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.925 -9.578 -6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.232 -7.510 -5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.024 -6.718 -6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.102 -9.377 -5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.486 -7.913 -4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.889 -7.211 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.527 -8.838 -7.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.210 -7.192 -6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.847 -8.146 -5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.228 -6.569 -5.376 1.00 0.00 H new ATOM 376 N GLN A 24 2.405 -7.753 -6.663 1.00 0.00 N ATOM 377 CA GLN A 24 3.448 -7.667 -5.609 1.00 0.00 C ATOM 378 C GLN A 24 4.320 -6.435 -5.855 1.00 0.00 C ATOM 379 O GLN A 24 4.834 -6.243 -6.939 1.00 0.00 O ATOM 380 CB GLN A 24 4.328 -8.914 -5.674 1.00 0.00 C ATOM 381 CG GLN A 24 3.525 -10.099 -6.219 1.00 0.00 C ATOM 382 CD GLN A 24 4.440 -11.319 -6.347 1.00 0.00 C ATOM 383 OE1 GLN A 24 4.247 -12.311 -5.674 1.00 0.00 O ATOM 384 NE2 GLN A 24 5.439 -11.284 -7.187 1.00 0.00 N ATOM 0 H GLN A 24 2.753 -7.690 -7.620 1.00 0.00 H new ATOM 0 HA GLN A 24 2.972 -7.594 -4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.191 -8.726 -6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.711 -9.150 -4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.692 -10.324 -5.554 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.099 -9.847 -7.190 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.601 -10.451 -7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.057 -12.090 -7.278 1.00 0.00 H new ATOM 393 N LEU A 25 4.504 -5.597 -4.868 1.00 0.00 N ATOM 394 CA LEU A 25 5.351 -4.401 -5.087 1.00 0.00 C ATOM 395 C LEU A 25 6.016 -3.960 -3.783 1.00 0.00 C ATOM 396 O LEU A 25 5.471 -4.117 -2.710 1.00 0.00 O ATOM 397 CB LEU A 25 4.492 -3.265 -5.636 1.00 0.00 C ATOM 398 CG LEU A 25 4.631 -3.200 -7.158 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.880 -1.978 -7.690 1.00 0.00 C ATOM 400 CD2 LEU A 25 6.111 -3.090 -7.532 1.00 0.00 C ATOM 0 H LEU A 25 4.107 -5.692 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 25 6.133 -4.653 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.448 -3.421 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.799 -2.318 -5.193 1.00 0.00 H new ATOM 0 HG LEU A 25 4.210 -4.104 -7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.980 -1.933 -8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.825 -2.056 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.299 -1.073 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.210 -3.044 -8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.532 -2.187 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.647 -3.961 -7.156 1.00 0.00 H new ATOM 412 N THR A 26 7.203 -3.419 -3.875 1.00 0.00 N ATOM 413 CA THR A 26 7.926 -2.973 -2.647 1.00 0.00 C ATOM 414 C THR A 26 7.328 -1.662 -2.133 1.00 0.00 C ATOM 415 O THR A 26 6.629 -0.963 -2.841 1.00 0.00 O ATOM 416 CB THR A 26 9.404 -2.754 -2.978 1.00 0.00 C ATOM 417 OG1 THR A 26 9.542 -1.573 -3.755 1.00 0.00 O ATOM 418 CG2 THR A 26 9.938 -3.950 -3.766 1.00 0.00 C ATOM 0 H THR A 26 7.704 -3.266 -4.750 1.00 0.00 H new ATOM 0 HA THR A 26 7.827 -3.740 -1.879 1.00 0.00 H new ATOM 0 HB THR A 26 9.972 -2.651 -2.053 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.199 -1.734 -4.659 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.991 -3.791 -4.000 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.832 -4.856 -3.169 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.373 -4.057 -4.692 1.00 0.00 H new ATOM 426 N LEU A 27 7.605 -1.323 -0.903 1.00 0.00 N ATOM 427 CA LEU A 27 7.065 -0.059 -0.332 1.00 0.00 C ATOM 428 C LEU A 27 7.730 1.138 -1.013 1.00 0.00 C ATOM 429 O LEU A 27 7.088 2.117 -1.339 1.00 0.00 O ATOM 430 CB LEU A 27 7.357 -0.016 1.170 1.00 0.00 C ATOM 431 CG LEU A 27 6.265 0.784 1.881 1.00 0.00 C ATOM 432 CD1 LEU A 27 5.148 -0.161 2.326 1.00 0.00 C ATOM 433 CD2 LEU A 27 6.862 1.479 3.107 1.00 0.00 C ATOM 0 H LEU A 27 8.185 -1.871 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 27 5.989 -0.017 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.400 -1.028 1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.331 0.440 1.349 1.00 0.00 H new ATOM 0 HG LEU A 27 5.859 1.531 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.369 0.409 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.724 -0.659 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.554 -0.908 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.085 2.050 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.267 0.731 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.659 2.152 2.791 1.00 0.00 H new ATOM 445 N ASN A 28 9.017 1.070 -1.223 1.00 0.00 N ATOM 446 CA ASN A 28 9.726 2.207 -1.876 1.00 0.00 C ATOM 447 C ASN A 28 9.000 2.605 -3.163 1.00 0.00 C ATOM 448 O ASN A 28 8.730 3.766 -3.401 1.00 0.00 O ATOM 449 CB ASN A 28 11.158 1.785 -2.211 1.00 0.00 C ATOM 450 CG ASN A 28 11.956 1.611 -0.916 1.00 0.00 C ATOM 451 OD1 ASN A 28 11.798 2.375 0.016 1.00 0.00 O ATOM 452 ND2 ASN A 28 12.813 0.631 -0.819 1.00 0.00 N ATOM 0 H ASN A 28 9.607 0.277 -0.971 1.00 0.00 H new ATOM 0 HA ASN A 28 9.741 3.059 -1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.151 0.852 -2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.631 2.536 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.350 0.506 0.039 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.945 -0.010 -1.601 1.00 0.00 H new ATOM 459 N GLU A 29 8.685 1.654 -3.999 1.00 0.00 N ATOM 460 CA GLU A 29 7.981 1.982 -5.271 1.00 0.00 C ATOM 461 C GLU A 29 6.617 2.605 -4.962 1.00 0.00 C ATOM 462 O GLU A 29 6.177 3.518 -5.632 1.00 0.00 O ATOM 463 CB GLU A 29 7.780 0.704 -6.089 1.00 0.00 C ATOM 464 CG GLU A 29 9.115 0.278 -6.705 1.00 0.00 C ATOM 465 CD GLU A 29 9.016 -1.170 -7.190 1.00 0.00 C ATOM 466 OE1 GLU A 29 8.537 -1.997 -6.432 1.00 0.00 O ATOM 467 OE2 GLU A 29 9.421 -1.425 -8.311 1.00 0.00 O ATOM 0 H GLU A 29 8.885 0.664 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 29 8.582 2.691 -5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.391 -0.091 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.043 0.874 -6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.369 0.935 -7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.913 0.372 -5.969 1.00 0.00 H new ATOM 474 N ILE A 30 5.946 2.119 -3.956 1.00 0.00 N ATOM 475 CA ILE A 30 4.611 2.685 -3.609 1.00 0.00 C ATOM 476 C ILE A 30 4.783 4.095 -3.040 1.00 0.00 C ATOM 477 O ILE A 30 3.991 4.979 -3.297 1.00 0.00 O ATOM 478 CB ILE A 30 3.936 1.795 -2.564 1.00 0.00 C ATOM 479 CG1 ILE A 30 3.498 0.484 -3.218 1.00 0.00 C ATOM 480 CG2 ILE A 30 2.711 2.512 -1.996 1.00 0.00 C ATOM 481 CD1 ILE A 30 3.088 -0.513 -2.132 1.00 0.00 C ATOM 0 H ILE A 30 6.263 1.355 -3.359 1.00 0.00 H new ATOM 0 HA ILE A 30 3.993 2.729 -4.506 1.00 0.00 H new ATOM 0 HB ILE A 30 4.640 1.584 -1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.664 0.664 -3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.312 0.073 -3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.231 1.877 -1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.021 3.447 -1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.007 2.723 -2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.775 -1.448 -2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.935 -0.701 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.261 -0.101 -1.553 1.00 0.00 H new ATOM 493 N TYR A 31 5.810 4.311 -2.265 1.00 0.00 N ATOM 494 CA TYR A 31 6.028 5.661 -1.677 1.00 0.00 C ATOM 495 C TYR A 31 6.224 6.676 -2.804 1.00 0.00 C ATOM 496 O TYR A 31 5.571 7.699 -2.849 1.00 0.00 O ATOM 497 CB TYR A 31 7.270 5.635 -0.783 1.00 0.00 C ATOM 498 CG TYR A 31 7.432 6.967 -0.082 1.00 0.00 C ATOM 499 CD1 TYR A 31 6.315 7.775 0.175 1.00 0.00 C ATOM 500 CD2 TYR A 31 8.706 7.390 0.315 1.00 0.00 C ATOM 501 CE1 TYR A 31 6.475 9.003 0.827 1.00 0.00 C ATOM 502 CE2 TYR A 31 8.865 8.619 0.967 1.00 0.00 C ATOM 503 CZ TYR A 31 7.750 9.425 1.223 1.00 0.00 C ATOM 504 OH TYR A 31 7.907 10.636 1.865 1.00 0.00 O ATOM 0 H TYR A 31 6.507 3.610 -2.014 1.00 0.00 H new ATOM 0 HA TYR A 31 5.162 5.945 -1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.182 4.836 -0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.155 5.420 -1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.331 7.450 -0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.567 6.768 0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.615 9.625 1.025 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.848 8.945 1.272 1.00 0.00 H new ATOM 0 HH TYR A 31 8.855 10.776 2.072 1.00 0.00 H new ATOM 514 N ASN A 32 7.112 6.401 -3.721 1.00 0.00 N ATOM 515 CA ASN A 32 7.333 7.354 -4.844 1.00 0.00 C ATOM 516 C ASN A 32 5.984 7.698 -5.474 1.00 0.00 C ATOM 517 O ASN A 32 5.636 8.851 -5.640 1.00 0.00 O ATOM 518 CB ASN A 32 8.234 6.705 -5.897 1.00 0.00 C ATOM 519 CG ASN A 32 9.685 6.728 -5.414 1.00 0.00 C ATOM 520 OD1 ASN A 32 9.942 6.752 -4.227 1.00 0.00 O ATOM 521 ND2 ASN A 32 10.650 6.723 -6.291 1.00 0.00 N ATOM 0 H ASN A 32 7.691 5.562 -3.741 1.00 0.00 H new ATOM 0 HA ASN A 32 7.811 8.260 -4.470 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.917 5.678 -6.079 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.147 7.238 -6.844 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.621 6.739 -5.980 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.433 6.703 -7.288 1.00 0.00 H new ATOM 528 N TRP A 33 5.218 6.700 -5.819 1.00 0.00 N ATOM 529 CA TRP A 33 3.886 6.952 -6.434 1.00 0.00 C ATOM 530 C TRP A 33 3.030 7.771 -5.465 1.00 0.00 C ATOM 531 O TRP A 33 2.351 8.701 -5.853 1.00 0.00 O ATOM 532 CB TRP A 33 3.203 5.612 -6.717 1.00 0.00 C ATOM 533 CG TRP A 33 1.860 5.849 -7.328 1.00 0.00 C ATOM 534 CD1 TRP A 33 1.645 6.240 -8.604 1.00 0.00 C ATOM 535 CD2 TRP A 33 0.546 5.712 -6.714 1.00 0.00 C ATOM 536 NE1 TRP A 33 0.281 6.353 -8.813 1.00 0.00 N ATOM 537 CE2 TRP A 33 -0.437 6.038 -7.677 1.00 0.00 C ATOM 538 CE3 TRP A 33 0.117 5.340 -5.427 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -1.798 5.997 -7.376 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -1.253 5.299 -5.120 1.00 0.00 C ATOM 541 CH2 TRP A 33 -2.209 5.627 -6.091 1.00 0.00 C ATOM 0 H TRP A 33 5.459 5.716 -5.700 1.00 0.00 H new ATOM 0 HA TRP A 33 4.006 7.504 -7.366 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.818 5.014 -7.389 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.097 5.045 -5.792 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.412 6.433 -9.340 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.141 6.634 -9.698 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.845 5.085 -4.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.530 6.249 -8.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.572 5.013 -4.129 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.261 5.594 -5.848 1.00 0.00 H new ATOM 552 N PHE A 34 3.054 7.427 -4.205 1.00 0.00 N ATOM 553 CA PHE A 34 2.243 8.178 -3.205 1.00 0.00 C ATOM 554 C PHE A 34 2.517 9.681 -3.327 1.00 0.00 C ATOM 555 O PHE A 34 1.615 10.470 -3.534 1.00 0.00 O ATOM 556 CB PHE A 34 2.616 7.707 -1.798 1.00 0.00 C ATOM 557 CG PHE A 34 1.499 6.860 -1.236 1.00 0.00 C ATOM 558 CD1 PHE A 34 1.125 5.677 -1.882 1.00 0.00 C ATOM 559 CD2 PHE A 34 0.840 7.260 -0.068 1.00 0.00 C ATOM 560 CE1 PHE A 34 0.088 4.892 -1.361 1.00 0.00 C ATOM 561 CE2 PHE A 34 -0.196 6.476 0.454 1.00 0.00 C ATOM 562 CZ PHE A 34 -0.571 5.291 -0.193 1.00 0.00 C ATOM 0 H PHE A 34 3.602 6.656 -3.825 1.00 0.00 H new ATOM 0 HA PHE A 34 1.185 7.993 -3.390 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.542 7.132 -1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.796 8.566 -1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.636 5.369 -2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.130 8.173 0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.202 3.980 -1.861 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.706 6.784 1.355 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.369 4.685 0.210 1.00 0.00 H new ATOM 572 N THR A 35 3.750 10.088 -3.184 1.00 0.00 N ATOM 573 CA THR A 35 4.074 11.541 -3.277 1.00 0.00 C ATOM 574 C THR A 35 4.018 12.005 -4.735 1.00 0.00 C ATOM 575 O THR A 35 3.472 13.046 -5.043 1.00 0.00 O ATOM 576 CB THR A 35 5.482 11.784 -2.724 1.00 0.00 C ATOM 577 OG1 THR A 35 6.442 11.237 -3.617 1.00 0.00 O ATOM 578 CG2 THR A 35 5.617 11.116 -1.355 1.00 0.00 C ATOM 0 H THR A 35 4.547 9.477 -3.007 1.00 0.00 H new ATOM 0 HA THR A 35 3.343 12.104 -2.696 1.00 0.00 H new ATOM 0 HB THR A 35 5.651 12.856 -2.621 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.343 11.393 -3.265 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.619 11.290 -0.963 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.881 11.538 -0.670 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.447 10.044 -1.455 1.00 0.00 H new ATOM 586 N ARG A 36 4.585 11.250 -5.633 1.00 0.00 N ATOM 587 CA ARG A 36 4.572 11.658 -7.067 1.00 0.00 C ATOM 588 C ARG A 36 3.140 11.981 -7.506 1.00 0.00 C ATOM 589 O ARG A 36 2.871 13.032 -8.051 1.00 0.00 O ATOM 590 CB ARG A 36 5.123 10.518 -7.924 1.00 0.00 C ATOM 591 CG ARG A 36 5.639 11.079 -9.251 1.00 0.00 C ATOM 592 CD ARG A 36 4.597 10.839 -10.346 1.00 0.00 C ATOM 593 NE ARG A 36 5.167 11.226 -11.666 1.00 0.00 N ATOM 594 CZ ARG A 36 5.957 10.404 -12.304 1.00 0.00 C ATOM 595 NH1 ARG A 36 6.431 9.350 -11.697 1.00 0.00 N ATOM 596 NH2 ARG A 36 6.273 10.638 -13.548 1.00 0.00 N ATOM 0 H ARG A 36 5.057 10.367 -5.437 1.00 0.00 H new ATOM 0 HA ARG A 36 5.193 12.545 -7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.928 10.008 -7.395 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.344 9.778 -8.108 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.840 12.146 -9.153 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.581 10.600 -9.519 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.302 9.790 -10.359 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.698 11.420 -10.141 1.00 0.00 H new ATOM 0 HE ARG A 36 4.940 12.134 -12.072 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.185 9.168 -10.724 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.048 8.709 -12.196 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.903 11.462 -14.022 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.890 9.997 -14.047 1.00 0.00 H new ATOM 610 N MET A 37 2.222 11.082 -7.280 1.00 0.00 N ATOM 611 CA MET A 37 0.811 11.333 -7.693 1.00 0.00 C ATOM 612 C MET A 37 0.171 12.363 -6.761 1.00 0.00 C ATOM 613 O MET A 37 -0.493 13.282 -7.199 1.00 0.00 O ATOM 614 CB MET A 37 0.023 10.023 -7.623 1.00 0.00 C ATOM 615 CG MET A 37 -0.123 9.436 -9.027 1.00 0.00 C ATOM 616 SD MET A 37 -1.257 10.461 -9.995 1.00 0.00 S ATOM 617 CE MET A 37 -1.018 9.627 -11.583 1.00 0.00 C ATOM 0 H MET A 37 2.388 10.183 -6.827 1.00 0.00 H new ATOM 0 HA MET A 37 0.797 11.717 -8.713 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.535 9.313 -6.973 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.961 10.201 -7.188 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.850 9.390 -9.516 1.00 0.00 H new ATOM 0 HG3 MET A 37 -0.499 8.415 -8.968 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.636 10.106 -12.342 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.030 9.693 -11.874 1.00 0.00 H new ATOM 0 HE3 MET A 37 -1.304 8.579 -11.490 1.00 0.00 H new ATOM 627 N PHE A 38 0.357 12.220 -5.477 1.00 0.00 N ATOM 628 CA PHE A 38 -0.248 13.195 -4.525 1.00 0.00 C ATOM 629 C PHE A 38 0.865 13.905 -3.742 1.00 0.00 C ATOM 630 O PHE A 38 1.633 13.264 -3.052 1.00 0.00 O ATOM 631 CB PHE A 38 -1.160 12.448 -3.549 1.00 0.00 C ATOM 632 CG PHE A 38 -1.890 11.347 -4.282 1.00 0.00 C ATOM 633 CD1 PHE A 38 -2.922 11.664 -5.172 1.00 0.00 C ATOM 634 CD2 PHE A 38 -1.531 10.009 -4.074 1.00 0.00 C ATOM 635 CE1 PHE A 38 -3.598 10.644 -5.851 1.00 0.00 C ATOM 636 CE2 PHE A 38 -2.207 8.989 -4.753 1.00 0.00 C ATOM 637 CZ PHE A 38 -3.241 9.307 -5.643 1.00 0.00 C ATOM 0 H PHE A 38 0.901 11.472 -5.047 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.829 13.933 -5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.571 12.028 -2.734 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.876 13.138 -3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.197 12.696 -5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.732 9.765 -3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.396 10.889 -6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.932 7.957 -4.591 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.762 8.521 -6.168 1.00 0.00 H new ATOM 647 N PRO A 39 0.924 15.210 -3.871 1.00 0.00 N ATOM 648 CA PRO A 39 1.940 16.029 -3.182 1.00 0.00 C ATOM 649 C PRO A 39 1.568 16.217 -1.707 1.00 0.00 C ATOM 650 O PRO A 39 2.297 16.820 -0.945 1.00 0.00 O ATOM 651 CB PRO A 39 1.896 17.364 -3.930 1.00 0.00 C ATOM 652 CG PRO A 39 0.507 17.438 -4.606 1.00 0.00 C ATOM 653 CD PRO A 39 -0.008 15.991 -4.711 1.00 0.00 C ATOM 0 HA PRO A 39 2.931 15.575 -3.189 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.039 18.199 -3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.693 17.420 -4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.177 18.051 -4.020 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.580 17.896 -5.592 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.034 15.907 -4.351 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.002 15.641 -5.743 1.00 0.00 H new ATOM 661 N TYR A 40 0.440 15.702 -1.302 1.00 0.00 N ATOM 662 CA TYR A 40 0.021 15.851 0.121 1.00 0.00 C ATOM 663 C TYR A 40 0.893 14.960 1.010 1.00 0.00 C ATOM 664 O TYR A 40 0.769 14.965 2.220 1.00 0.00 O ATOM 665 CB TYR A 40 -1.447 15.439 0.263 1.00 0.00 C ATOM 666 CG TYR A 40 -1.827 15.417 1.724 1.00 0.00 C ATOM 667 CD1 TYR A 40 -2.280 16.586 2.347 1.00 0.00 C ATOM 668 CD2 TYR A 40 -1.728 14.227 2.454 1.00 0.00 C ATOM 669 CE1 TYR A 40 -2.635 16.565 3.701 1.00 0.00 C ATOM 670 CE2 TYR A 40 -2.081 14.206 3.809 1.00 0.00 C ATOM 671 CZ TYR A 40 -2.535 15.375 4.433 1.00 0.00 C ATOM 672 OH TYR A 40 -2.883 15.353 5.768 1.00 0.00 O ATOM 0 H TYR A 40 -0.210 15.185 -1.894 1.00 0.00 H new ATOM 0 HA TYR A 40 0.139 16.890 0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.085 16.137 -0.279 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.604 14.455 -0.179 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.356 17.504 1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.380 13.325 1.973 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.986 17.466 4.181 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.003 13.288 4.373 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.755 14.449 6.124 1.00 0.00 H new ATOM 682 N PHE A 41 1.775 14.195 0.425 1.00 0.00 N ATOM 683 CA PHE A 41 2.652 13.306 1.241 1.00 0.00 C ATOM 684 C PHE A 41 4.068 13.885 1.288 1.00 0.00 C ATOM 685 O PHE A 41 4.982 13.272 1.802 1.00 0.00 O ATOM 686 CB PHE A 41 2.700 11.914 0.607 1.00 0.00 C ATOM 687 CG PHE A 41 1.388 11.204 0.836 1.00 0.00 C ATOM 688 CD1 PHE A 41 1.096 10.656 2.091 1.00 0.00 C ATOM 689 CD2 PHE A 41 0.464 11.092 -0.209 1.00 0.00 C ATOM 690 CE1 PHE A 41 -0.120 9.994 2.300 1.00 0.00 C ATOM 691 CE2 PHE A 41 -0.752 10.431 0.000 1.00 0.00 C ATOM 692 CZ PHE A 41 -1.044 9.883 1.255 1.00 0.00 C ATOM 0 H PHE A 41 1.926 14.147 -0.583 1.00 0.00 H new ATOM 0 HA PHE A 41 2.251 13.236 2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.897 11.997 -0.462 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.517 11.336 1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.809 10.744 2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.689 11.516 -1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.345 9.569 3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.465 10.344 -0.807 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.983 9.374 1.417 1.00 0.00 H new ATOM 702 N ARG A 42 4.261 15.058 0.751 1.00 0.00 N ATOM 703 CA ARG A 42 5.622 15.665 0.762 1.00 0.00 C ATOM 704 C ARG A 42 5.810 16.489 2.037 1.00 0.00 C ATOM 705 O ARG A 42 6.588 17.422 2.075 1.00 0.00 O ATOM 706 CB ARG A 42 5.783 16.572 -0.459 1.00 0.00 C ATOM 707 CG ARG A 42 7.214 17.110 -0.513 1.00 0.00 C ATOM 708 CD ARG A 42 7.528 17.575 -1.936 1.00 0.00 C ATOM 709 NE ARG A 42 8.442 18.751 -1.884 1.00 0.00 N ATOM 710 CZ ARG A 42 8.040 19.909 -2.332 1.00 0.00 C ATOM 711 NH1 ARG A 42 7.548 20.008 -3.537 1.00 0.00 N ATOM 712 NH2 ARG A 42 8.132 20.968 -1.576 1.00 0.00 N ATOM 0 H ARG A 42 3.537 15.622 0.306 1.00 0.00 H new ATOM 0 HA ARG A 42 6.371 14.873 0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.558 16.017 -1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.075 17.399 -0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.330 17.938 0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.917 16.335 -0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.991 16.766 -2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.607 17.840 -2.455 1.00 0.00 H new ATOM 0 HE ARG A 42 9.381 18.651 -1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.478 19.180 -4.129 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.234 20.913 -3.887 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.518 20.891 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.818 21.873 -1.926 1.00 0.00 H new ATOM 726 N ARG A 43 5.106 16.154 3.084 1.00 0.00 N ATOM 727 CA ARG A 43 5.253 16.924 4.351 1.00 0.00 C ATOM 728 C ARG A 43 5.116 15.981 5.549 1.00 0.00 C ATOM 729 O ARG A 43 6.077 15.683 6.230 1.00 0.00 O ATOM 730 CB ARG A 43 4.169 18.001 4.423 1.00 0.00 C ATOM 731 CG ARG A 43 4.327 18.797 5.719 1.00 0.00 C ATOM 732 CD ARG A 43 4.183 20.292 5.426 1.00 0.00 C ATOM 733 NE ARG A 43 4.435 21.066 6.674 1.00 0.00 N ATOM 734 CZ ARG A 43 4.493 22.370 6.636 1.00 0.00 C ATOM 735 NH1 ARG A 43 4.156 23.008 5.547 1.00 0.00 N ATOM 736 NH2 ARG A 43 4.891 23.036 7.686 1.00 0.00 N ATOM 0 H ARG A 43 4.438 15.384 3.117 1.00 0.00 H new ATOM 0 HA ARG A 43 6.236 17.394 4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.245 18.667 3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.181 17.541 4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.575 18.484 6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.301 18.596 6.164 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.888 20.592 4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.183 20.505 5.048 1.00 0.00 H new ATOM 0 HE ARG A 43 4.562 20.576 7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.847 22.488 4.726 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.201 24.027 5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.156 22.538 8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.936 24.055 7.657 1.00 0.00 H new ATOM 750 N ASN A 44 3.927 15.513 5.816 1.00 0.00 N ATOM 751 CA ASN A 44 3.730 14.596 6.974 1.00 0.00 C ATOM 752 C ASN A 44 3.900 13.146 6.518 1.00 0.00 C ATOM 753 O ASN A 44 2.938 12.447 6.266 1.00 0.00 O ATOM 754 CB ASN A 44 2.322 14.790 7.541 1.00 0.00 C ATOM 755 CG ASN A 44 2.089 16.272 7.842 1.00 0.00 C ATOM 756 OD1 ASN A 44 2.553 16.782 8.843 1.00 0.00 O ATOM 757 ND2 ASN A 44 1.384 16.990 7.011 1.00 0.00 N ATOM 0 H ASN A 44 3.084 15.726 5.282 1.00 0.00 H new ATOM 0 HA ASN A 44 4.469 14.821 7.743 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.579 14.432 6.828 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.201 14.201 8.450 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.222 17.979 7.202 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.995 16.562 6.171 1.00 0.00 H new ATOM 764 N ALA A 45 5.117 12.684 6.414 1.00 0.00 N ATOM 765 CA ALA A 45 5.344 11.279 5.979 1.00 0.00 C ATOM 766 C ALA A 45 5.721 10.422 7.188 1.00 0.00 C ATOM 767 O ALA A 45 6.043 9.258 7.060 1.00 0.00 O ATOM 768 CB ALA A 45 6.477 11.239 4.951 1.00 0.00 C ATOM 0 H ALA A 45 5.962 13.220 6.612 1.00 0.00 H new ATOM 0 HA ALA A 45 4.431 10.888 5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.643 10.210 4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.207 11.847 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.389 11.632 5.400 1.00 0.00 H new ATOM 774 N ALA A 46 5.679 10.987 8.364 1.00 0.00 N ATOM 775 CA ALA A 46 6.032 10.202 9.578 1.00 0.00 C ATOM 776 C ALA A 46 4.766 9.556 10.145 1.00 0.00 C ATOM 777 O ALA A 46 4.826 8.606 10.901 1.00 0.00 O ATOM 778 CB ALA A 46 6.646 11.130 10.628 1.00 0.00 C ATOM 0 H ALA A 46 5.416 11.957 8.535 1.00 0.00 H new ATOM 0 HA ALA A 46 6.753 9.428 9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.904 10.554 11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.545 11.594 10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.927 11.905 10.894 1.00 0.00 H new ATOM 784 N THR A 47 3.620 10.071 9.793 1.00 0.00 N ATOM 785 CA THR A 47 2.351 9.492 10.317 1.00 0.00 C ATOM 786 C THR A 47 1.824 8.414 9.362 1.00 0.00 C ATOM 787 O THR A 47 1.422 7.347 9.782 1.00 0.00 O ATOM 788 CB THR A 47 1.305 10.601 10.452 1.00 0.00 C ATOM 789 OG1 THR A 47 1.874 11.703 11.144 1.00 0.00 O ATOM 790 CG2 THR A 47 0.098 10.074 11.230 1.00 0.00 C ATOM 0 H THR A 47 3.508 10.867 9.166 1.00 0.00 H new ATOM 0 HA THR A 47 2.544 9.041 11.291 1.00 0.00 H new ATOM 0 HB THR A 47 0.983 10.921 9.461 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.206 12.415 11.230 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.646 10.864 11.326 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.337 9.228 10.698 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.416 9.753 12.222 1.00 0.00 H new ATOM 798 N TRP A 48 1.804 8.686 8.084 1.00 0.00 N ATOM 799 CA TRP A 48 1.282 7.674 7.119 1.00 0.00 C ATOM 800 C TRP A 48 2.231 6.471 7.049 1.00 0.00 C ATOM 801 O TRP A 48 1.802 5.334 7.084 1.00 0.00 O ATOM 802 CB TRP A 48 1.106 8.324 5.732 1.00 0.00 C ATOM 803 CG TRP A 48 2.368 8.254 4.934 1.00 0.00 C ATOM 804 CD1 TRP A 48 3.099 9.324 4.565 1.00 0.00 C ATOM 805 CD2 TRP A 48 3.039 7.087 4.377 1.00 0.00 C ATOM 806 NE1 TRP A 48 4.194 8.893 3.841 1.00 0.00 N ATOM 807 CE2 TRP A 48 4.200 7.520 3.693 1.00 0.00 C ATOM 808 CE3 TRP A 48 2.763 5.707 4.405 1.00 0.00 C ATOM 809 CZ2 TRP A 48 5.056 6.619 3.059 1.00 0.00 C ATOM 810 CZ3 TRP A 48 3.622 4.798 3.767 1.00 0.00 C ATOM 811 CH2 TRP A 48 4.766 5.253 3.096 1.00 0.00 C ATOM 0 H TRP A 48 2.125 9.560 7.668 1.00 0.00 H new ATOM 0 HA TRP A 48 0.310 7.315 7.459 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.304 7.821 5.192 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.806 9.365 5.852 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.866 10.353 4.798 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.910 9.513 3.462 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.885 5.345 4.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.936 6.975 2.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.400 3.741 3.793 1.00 0.00 H new ATOM 0 HH2 TRP A 48 5.423 4.548 2.608 1.00 0.00 H new ATOM 822 N LYS A 49 3.513 6.701 6.960 1.00 0.00 N ATOM 823 CA LYS A 49 4.468 5.558 6.897 1.00 0.00 C ATOM 824 C LYS A 49 4.353 4.731 8.180 1.00 0.00 C ATOM 825 O LYS A 49 4.623 3.547 8.193 1.00 0.00 O ATOM 826 CB LYS A 49 5.898 6.090 6.762 1.00 0.00 C ATOM 827 CG LYS A 49 6.795 5.004 6.163 1.00 0.00 C ATOM 828 CD LYS A 49 7.750 5.629 5.143 1.00 0.00 C ATOM 829 CE LYS A 49 8.393 6.881 5.742 1.00 0.00 C ATOM 830 NZ LYS A 49 9.874 6.800 5.592 1.00 0.00 N ATOM 0 H LYS A 49 3.939 7.627 6.928 1.00 0.00 H new ATOM 0 HA LYS A 49 4.231 4.934 6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.909 6.976 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.278 6.392 7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.362 4.511 6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.185 4.239 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.521 4.911 4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.208 5.886 4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.014 7.772 5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.128 6.970 6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.311 7.651 5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.228 5.958 6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.118 6.735 4.583 1.00 0.00 H new ATOM 844 N ASN A 50 3.953 5.346 9.259 1.00 0.00 N ATOM 845 CA ASN A 50 3.820 4.597 10.541 1.00 0.00 C ATOM 846 C ASN A 50 2.561 3.727 10.500 1.00 0.00 C ATOM 847 O ASN A 50 2.581 2.573 10.881 1.00 0.00 O ATOM 848 CB ASN A 50 3.713 5.590 11.702 1.00 0.00 C ATOM 849 CG ASN A 50 5.059 5.687 12.421 1.00 0.00 C ATOM 850 OD1 ASN A 50 5.311 4.961 13.363 1.00 0.00 O ATOM 851 ND2 ASN A 50 5.941 6.559 12.016 1.00 0.00 N ATOM 0 H ASN A 50 3.712 6.336 9.308 1.00 0.00 H new ATOM 0 HA ASN A 50 4.695 3.962 10.681 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.417 6.571 11.329 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.939 5.268 12.399 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.841 6.631 12.490 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.730 7.168 11.226 1.00 0.00 H new ATOM 858 N ALA A 51 1.468 4.270 10.040 1.00 0.00 N ATOM 859 CA ALA A 51 0.210 3.475 9.974 1.00 0.00 C ATOM 860 C ALA A 51 0.382 2.328 8.976 1.00 0.00 C ATOM 861 O ALA A 51 0.030 1.199 9.247 1.00 0.00 O ATOM 862 CB ALA A 51 -0.940 4.376 9.522 1.00 0.00 C ATOM 0 H ALA A 51 1.392 5.231 9.707 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.014 3.068 10.960 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.861 3.794 9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.064 5.193 10.233 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.717 4.784 8.536 1.00 0.00 H new ATOM 868 N VAL A 52 0.923 2.613 7.823 1.00 0.00 N ATOM 869 CA VAL A 52 1.118 1.540 6.807 1.00 0.00 C ATOM 870 C VAL A 52 1.959 0.412 7.410 1.00 0.00 C ATOM 871 O VAL A 52 1.629 -0.752 7.292 1.00 0.00 O ATOM 872 CB VAL A 52 1.841 2.116 5.588 1.00 0.00 C ATOM 873 CG1 VAL A 52 2.185 0.985 4.619 1.00 0.00 C ATOM 874 CG2 VAL A 52 0.934 3.130 4.886 1.00 0.00 C ATOM 0 H VAL A 52 1.238 3.541 7.541 1.00 0.00 H new ATOM 0 HA VAL A 52 0.147 1.148 6.503 1.00 0.00 H new ATOM 0 HB VAL A 52 2.757 2.611 5.910 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.700 1.394 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.832 0.263 5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.269 0.490 4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.450 3.540 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.017 2.636 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.688 3.937 5.576 1.00 0.00 H new ATOM 884 N ARG A 53 3.044 0.748 8.052 1.00 0.00 N ATOM 885 CA ARG A 53 3.908 -0.304 8.659 1.00 0.00 C ATOM 886 C ARG A 53 3.086 -1.142 9.642 1.00 0.00 C ATOM 887 O ARG A 53 3.088 -2.357 9.590 1.00 0.00 O ATOM 888 CB ARG A 53 5.067 0.361 9.405 1.00 0.00 C ATOM 889 CG ARG A 53 6.341 -0.463 9.208 1.00 0.00 C ATOM 890 CD ARG A 53 6.463 -1.492 10.334 1.00 0.00 C ATOM 891 NE ARG A 53 6.490 -0.788 11.647 1.00 0.00 N ATOM 892 CZ ARG A 53 6.776 -1.448 12.736 1.00 0.00 C ATOM 893 NH1 ARG A 53 7.760 -2.306 12.741 1.00 0.00 N ATOM 894 NH2 ARG A 53 6.080 -1.249 13.821 1.00 0.00 N ATOM 0 H ARG A 53 3.370 1.706 8.183 1.00 0.00 H new ATOM 0 HA ARG A 53 4.299 -0.950 7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.217 1.376 9.036 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.833 0.440 10.467 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.315 -0.967 8.242 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.213 0.191 9.203 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.624 -2.187 10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.371 -2.081 10.206 1.00 0.00 H new ATOM 0 HE ARG A 53 6.285 0.210 11.695 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.306 -2.461 11.893 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.983 -2.821 13.593 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.312 -0.578 13.818 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.304 -1.765 14.672 1.00 0.00 H new ATOM 908 N HIS A 54 2.388 -0.505 10.540 1.00 0.00 N ATOM 909 CA HIS A 54 1.571 -1.266 11.529 1.00 0.00 C ATOM 910 C HIS A 54 0.485 -2.061 10.799 1.00 0.00 C ATOM 911 O HIS A 54 0.319 -3.245 11.016 1.00 0.00 O ATOM 912 CB HIS A 54 0.920 -0.287 12.508 1.00 0.00 C ATOM 913 CG HIS A 54 -0.105 -1.012 13.337 1.00 0.00 C ATOM 914 ND1 HIS A 54 0.250 -1.904 14.337 1.00 0.00 N ATOM 915 CD2 HIS A 54 -1.477 -0.988 13.326 1.00 0.00 C ATOM 916 CE1 HIS A 54 -0.885 -2.376 14.882 1.00 0.00 C ATOM 917 NE2 HIS A 54 -1.969 -1.849 14.302 1.00 0.00 N ATOM 0 H HIS A 54 2.347 0.510 10.633 1.00 0.00 H new ATOM 0 HA HIS A 54 2.213 -1.956 12.076 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.678 0.156 13.154 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.449 0.531 11.962 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.083 -0.391 12.661 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.917 -3.093 15.689 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.946 -2.038 14.527 1.00 0.00 H new ATOM 925 N ASN A 55 -0.258 -1.420 9.940 1.00 0.00 N ATOM 926 CA ASN A 55 -1.336 -2.137 9.201 1.00 0.00 C ATOM 927 C ASN A 55 -0.727 -3.261 8.358 1.00 0.00 C ATOM 928 O ASN A 55 -1.309 -4.315 8.198 1.00 0.00 O ATOM 929 CB ASN A 55 -2.064 -1.154 8.283 1.00 0.00 C ATOM 930 CG ASN A 55 -3.317 -0.630 8.987 1.00 0.00 C ATOM 931 OD1 ASN A 55 -3.803 -1.238 9.919 1.00 0.00 O ATOM 932 ND2 ASN A 55 -3.867 0.480 8.575 1.00 0.00 N ATOM 0 H ASN A 55 -0.165 -0.429 9.717 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.040 -2.562 9.916 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.405 -0.325 8.025 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.337 -1.646 7.350 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.704 0.836 9.036 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.459 0.991 7.792 1.00 0.00 H new ATOM 939 N LEU A 56 0.437 -3.041 7.811 1.00 0.00 N ATOM 940 CA LEU A 56 1.079 -4.094 6.969 1.00 0.00 C ATOM 941 C LEU A 56 1.297 -5.366 7.794 1.00 0.00 C ATOM 942 O LEU A 56 0.797 -6.424 7.464 1.00 0.00 O ATOM 943 CB LEU A 56 2.429 -3.582 6.462 1.00 0.00 C ATOM 944 CG LEU A 56 2.447 -3.610 4.933 1.00 0.00 C ATOM 945 CD1 LEU A 56 2.277 -5.049 4.445 1.00 0.00 C ATOM 946 CD2 LEU A 56 1.302 -2.751 4.394 1.00 0.00 C ATOM 0 H LEU A 56 0.972 -2.178 7.910 1.00 0.00 H new ATOM 0 HA LEU A 56 0.428 -4.323 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.602 -2.567 6.819 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.235 -4.200 6.857 1.00 0.00 H new ATOM 0 HG LEU A 56 3.398 -3.216 4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.290 -5.068 3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.093 -5.662 4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.327 -5.445 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.314 -2.771 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.351 -3.145 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.423 -1.724 4.740 1.00 0.00 H new ATOM 958 N SER A 57 2.050 -5.277 8.855 1.00 0.00 N ATOM 959 CA SER A 57 2.314 -6.484 9.690 1.00 0.00 C ATOM 960 C SER A 57 0.994 -7.093 10.175 1.00 0.00 C ATOM 961 O SER A 57 0.831 -8.297 10.200 1.00 0.00 O ATOM 962 CB SER A 57 3.164 -6.088 10.898 1.00 0.00 C ATOM 963 OG SER A 57 4.454 -6.670 10.773 1.00 0.00 O ATOM 0 H SER A 57 2.495 -4.419 9.181 1.00 0.00 H new ATOM 0 HA SER A 57 2.845 -7.222 9.089 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.246 -5.003 10.960 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.688 -6.425 11.819 1.00 0.00 H new ATOM 0 HG SER A 57 5.003 -6.417 11.544 1.00 0.00 H new ATOM 969 N LEU A 58 0.054 -6.279 10.570 1.00 0.00 N ATOM 970 CA LEU A 58 -1.245 -6.826 11.063 1.00 0.00 C ATOM 971 C LEU A 58 -2.071 -7.357 9.889 1.00 0.00 C ATOM 972 O LEU A 58 -2.860 -8.268 10.038 1.00 0.00 O ATOM 973 CB LEU A 58 -2.027 -5.722 11.774 1.00 0.00 C ATOM 974 CG LEU A 58 -3.061 -6.352 12.707 1.00 0.00 C ATOM 975 CD1 LEU A 58 -2.359 -6.892 13.954 1.00 0.00 C ATOM 976 CD2 LEU A 58 -4.086 -5.293 13.119 1.00 0.00 C ATOM 0 H LEU A 58 0.127 -5.262 10.573 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.046 -7.642 11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.347 -5.088 12.342 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.522 -5.083 11.043 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.567 -7.168 12.192 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.095 -7.342 14.620 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.627 -7.645 13.662 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.854 -6.075 14.470 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.824 -5.741 13.784 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.579 -4.478 13.635 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.586 -4.905 12.231 1.00 0.00 H new ATOM 988 N HIS A 59 -1.901 -6.795 8.724 1.00 0.00 N ATOM 989 CA HIS A 59 -2.683 -7.273 7.549 1.00 0.00 C ATOM 990 C HIS A 59 -2.106 -8.605 7.066 1.00 0.00 C ATOM 991 O HIS A 59 -0.980 -8.679 6.616 1.00 0.00 O ATOM 992 CB HIS A 59 -2.605 -6.236 6.427 1.00 0.00 C ATOM 993 CG HIS A 59 -3.458 -5.049 6.787 1.00 0.00 C ATOM 994 ND1 HIS A 59 -4.688 -5.185 7.410 1.00 0.00 N ATOM 995 CD2 HIS A 59 -3.270 -3.699 6.619 1.00 0.00 C ATOM 996 CE1 HIS A 59 -5.188 -3.950 7.593 1.00 0.00 C ATOM 997 NE2 HIS A 59 -4.363 -3.008 7.130 1.00 0.00 N ATOM 0 H HIS A 59 -1.256 -6.028 8.535 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.726 -7.413 7.834 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.572 -5.924 6.276 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.946 -6.672 5.488 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.405 -3.244 6.160 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.141 -3.745 8.058 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.504 -1.998 7.147 1.00 0.00 H new ATOM 1005 N LYS A 60 -2.871 -9.659 7.159 1.00 0.00 N ATOM 1006 CA LYS A 60 -2.367 -10.989 6.712 1.00 0.00 C ATOM 1007 C LYS A 60 -2.457 -11.090 5.189 1.00 0.00 C ATOM 1008 O LYS A 60 -1.762 -11.870 4.569 1.00 0.00 O ATOM 1009 CB LYS A 60 -3.215 -12.093 7.346 1.00 0.00 C ATOM 1010 CG LYS A 60 -2.415 -12.778 8.456 1.00 0.00 C ATOM 1011 CD LYS A 60 -1.909 -11.724 9.444 1.00 0.00 C ATOM 1012 CE LYS A 60 -1.563 -12.395 10.775 1.00 0.00 C ATOM 1013 NZ LYS A 60 -0.167 -12.914 10.723 1.00 0.00 N ATOM 0 H LYS A 60 -3.823 -9.656 7.525 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.328 -11.103 7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.134 -11.672 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.506 -12.822 6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.040 -13.506 8.973 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.574 -13.325 8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.030 -11.222 9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.670 -10.959 9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.666 -11.681 11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.258 -13.211 10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.068 -13.370 11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.083 -13.608 9.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.490 -12.126 10.552 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.306 -10.310 4.577 1.00 0.00 N ATOM 1028 CA TYR A 61 -3.429 -10.373 3.094 1.00 0.00 C ATOM 1029 C TYR A 61 -2.187 -9.746 2.452 1.00 0.00 C ATOM 1030 O TYR A 61 -1.983 -9.833 1.258 1.00 0.00 O ATOM 1031 CB TYR A 61 -4.686 -9.622 2.646 1.00 0.00 C ATOM 1032 CG TYR A 61 -4.559 -8.159 2.990 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -3.864 -7.299 2.132 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.142 -7.658 4.160 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -3.751 -5.941 2.444 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -5.030 -6.299 4.473 1.00 0.00 C ATOM 1037 CZ TYR A 61 -4.334 -5.440 3.614 1.00 0.00 C ATOM 1038 OH TYR A 61 -4.223 -4.100 3.921 1.00 0.00 O ATOM 0 H TYR A 61 -3.917 -9.635 5.038 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.509 -11.414 2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.828 -9.741 1.572 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.565 -10.044 3.133 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.415 -7.685 1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.679 -8.321 4.822 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.214 -5.278 1.782 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.480 -5.913 5.376 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.643 -3.661 3.264 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.350 -9.127 3.241 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.113 -8.508 2.683 1.00 0.00 C ATOM 1050 C PHE A 62 1.042 -9.503 2.828 1.00 0.00 C ATOM 1051 O PHE A 62 1.468 -9.811 3.925 1.00 0.00 O ATOM 1052 CB PHE A 62 0.214 -7.231 3.462 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.373 -6.032 2.754 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.258 -5.911 1.365 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -1.029 -5.038 3.491 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -0.798 -4.796 0.713 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -1.570 -3.924 2.838 1.00 0.00 C ATOM 1058 CZ PHE A 62 -1.454 -3.802 1.448 1.00 0.00 C ATOM 0 H PHE A 62 -1.470 -9.023 4.249 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.262 -8.260 1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.187 -7.299 4.473 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.294 -7.117 3.554 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.247 -6.677 0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.118 -5.131 4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.708 -4.703 -0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.077 -3.158 3.407 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.870 -2.942 0.944 1.00 0.00 H new ATOM 1068 N VAL A 63 1.550 -10.018 1.740 1.00 0.00 N ATOM 1069 CA VAL A 63 2.668 -10.998 1.843 1.00 0.00 C ATOM 1070 C VAL A 63 3.921 -10.427 1.178 1.00 0.00 C ATOM 1071 O VAL A 63 3.850 -9.728 0.187 1.00 0.00 O ATOM 1072 CB VAL A 63 2.270 -12.302 1.149 1.00 0.00 C ATOM 1073 CG1 VAL A 63 3.495 -13.210 1.027 1.00 0.00 C ATOM 1074 CG2 VAL A 63 1.193 -13.010 1.977 1.00 0.00 C ATOM 0 H VAL A 63 1.241 -9.804 0.792 1.00 0.00 H new ATOM 0 HA VAL A 63 2.878 -11.194 2.895 1.00 0.00 H new ATOM 0 HB VAL A 63 1.881 -12.081 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.211 -14.139 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.264 -12.707 0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.884 -13.432 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.908 -13.940 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.584 -13.231 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.320 -12.364 2.066 1.00 0.00 H new ATOM 1084 N ARG A 64 5.071 -10.725 1.717 1.00 0.00 N ATOM 1085 CA ARG A 64 6.337 -10.207 1.122 1.00 0.00 C ATOM 1086 C ARG A 64 7.064 -11.351 0.415 1.00 0.00 C ATOM 1087 O ARG A 64 7.641 -12.216 1.044 1.00 0.00 O ATOM 1088 CB ARG A 64 7.249 -9.625 2.217 1.00 0.00 C ATOM 1089 CG ARG A 64 6.682 -9.931 3.610 1.00 0.00 C ATOM 1090 CD ARG A 64 6.962 -11.392 3.969 1.00 0.00 C ATOM 1091 NE ARG A 64 7.620 -11.461 5.304 1.00 0.00 N ATOM 1092 CZ ARG A 64 8.067 -12.602 5.752 1.00 0.00 C ATOM 1093 NH1 ARG A 64 7.230 -13.512 6.168 1.00 0.00 N ATOM 1094 NH2 ARG A 64 9.351 -12.832 5.782 1.00 0.00 N ATOM 0 H ARG A 64 5.190 -11.307 2.546 1.00 0.00 H new ATOM 0 HA ARG A 64 6.096 -9.418 0.410 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.250 -10.046 2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.343 -8.547 2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.134 -9.271 4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.609 -9.741 3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.031 -11.959 3.981 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.602 -11.847 3.213 1.00 0.00 H new ATOM 0 HE ARG A 64 7.721 -10.617 5.867 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.226 -13.331 6.143 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.579 -14.404 6.518 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.004 -12.120 5.455 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.701 -13.724 6.132 1.00 0.00 H new ATOM 1108 N VAL A 65 7.039 -11.367 -0.889 1.00 0.00 N ATOM 1109 CA VAL A 65 7.723 -12.455 -1.633 1.00 0.00 C ATOM 1110 C VAL A 65 9.193 -12.086 -1.846 1.00 0.00 C ATOM 1111 O VAL A 65 9.523 -11.296 -2.708 1.00 0.00 O ATOM 1112 CB VAL A 65 7.041 -12.651 -2.988 1.00 0.00 C ATOM 1113 CG1 VAL A 65 7.576 -13.922 -3.651 1.00 0.00 C ATOM 1114 CG2 VAL A 65 5.530 -12.782 -2.782 1.00 0.00 C ATOM 0 H VAL A 65 6.573 -10.671 -1.470 1.00 0.00 H new ATOM 0 HA VAL A 65 7.664 -13.380 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 65 7.250 -11.793 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.090 -14.061 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.652 -13.831 -3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.368 -14.781 -3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.042 -12.922 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.323 -13.640 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.147 -11.877 -2.310 1.00 0.00 H new ATOM 1124 N GLU A 66 10.078 -12.648 -1.068 1.00 0.00 N ATOM 1125 CA GLU A 66 11.522 -12.320 -1.234 1.00 0.00 C ATOM 1126 C GLU A 66 11.930 -12.558 -2.692 1.00 0.00 C ATOM 1127 O GLU A 66 11.709 -13.617 -3.244 1.00 0.00 O ATOM 1128 CB GLU A 66 12.363 -13.197 -0.290 1.00 0.00 C ATOM 1129 CG GLU A 66 12.722 -14.524 -0.969 1.00 0.00 C ATOM 1130 CD GLU A 66 13.594 -15.361 -0.032 1.00 0.00 C ATOM 1131 OE1 GLU A 66 13.040 -16.009 0.841 1.00 0.00 O ATOM 1132 OE2 GLU A 66 14.802 -15.340 -0.202 1.00 0.00 O ATOM 0 H GLU A 66 9.865 -13.317 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 66 11.695 -11.273 -0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.273 -12.668 -0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.808 -13.390 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.814 -15.071 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.252 -14.335 -1.903 1.00 0.00 H new ATOM 1139 N ASN A 67 12.521 -11.581 -3.319 1.00 0.00 N ATOM 1140 CA ASN A 67 12.936 -11.751 -4.734 1.00 0.00 C ATOM 1141 C ASN A 67 14.384 -11.285 -4.909 1.00 0.00 C ATOM 1142 O ASN A 67 14.914 -10.550 -4.101 1.00 0.00 O ATOM 1143 CB ASN A 67 12.019 -10.926 -5.638 1.00 0.00 C ATOM 1144 CG ASN A 67 11.458 -11.819 -6.747 1.00 0.00 C ATOM 1145 OD1 ASN A 67 12.156 -12.664 -7.274 1.00 0.00 O ATOM 1146 ND2 ASN A 67 10.220 -11.667 -7.126 1.00 0.00 N ATOM 0 H ASN A 67 12.734 -10.671 -2.910 1.00 0.00 H new ATOM 0 HA ASN A 67 12.863 -12.804 -5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.204 -10.498 -5.054 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.572 -10.093 -6.072 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.837 -12.257 -7.865 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.635 -10.958 -6.684 1.00 0.00 H new ATOM 1153 N VAL A 68 15.026 -11.709 -5.965 1.00 0.00 N ATOM 1154 CA VAL A 68 16.436 -11.294 -6.199 1.00 0.00 C ATOM 1155 C VAL A 68 16.519 -9.766 -6.237 1.00 0.00 C ATOM 1156 O VAL A 68 17.491 -9.175 -5.811 1.00 0.00 O ATOM 1157 CB VAL A 68 16.914 -11.865 -7.535 1.00 0.00 C ATOM 1158 CG1 VAL A 68 18.384 -11.505 -7.753 1.00 0.00 C ATOM 1159 CG2 VAL A 68 16.757 -13.388 -7.523 1.00 0.00 C ATOM 0 H VAL A 68 14.632 -12.326 -6.676 1.00 0.00 H new ATOM 0 HA VAL A 68 17.067 -11.670 -5.394 1.00 0.00 H new ATOM 0 HB VAL A 68 16.316 -11.443 -8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.721 -11.913 -8.706 1.00 0.00 H new ATOM 0 HG12 VAL A 68 18.495 -10.421 -7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.985 -11.924 -6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.097 -13.796 -8.475 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.353 -13.809 -6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.708 -13.644 -7.372 1.00 0.00 H new ATOM 1169 N LYS A 69 15.506 -9.124 -6.751 1.00 0.00 N ATOM 1170 CA LYS A 69 15.521 -7.640 -6.825 1.00 0.00 C ATOM 1171 C LYS A 69 14.988 -7.052 -5.517 1.00 0.00 C ATOM 1172 O LYS A 69 14.701 -5.874 -5.428 1.00 0.00 O ATOM 1173 CB LYS A 69 14.638 -7.179 -7.986 1.00 0.00 C ATOM 1174 CG LYS A 69 13.200 -7.646 -7.749 1.00 0.00 C ATOM 1175 CD LYS A 69 12.234 -6.500 -8.053 1.00 0.00 C ATOM 1176 CE LYS A 69 11.622 -6.698 -9.442 1.00 0.00 C ATOM 1177 NZ LYS A 69 10.514 -7.691 -9.361 1.00 0.00 N ATOM 0 H LYS A 69 14.666 -9.567 -7.124 1.00 0.00 H new ATOM 0 HA LYS A 69 16.544 -7.298 -6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.670 -6.093 -8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.013 -7.584 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.975 -8.503 -8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.078 -7.974 -6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.447 -6.465 -7.300 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.760 -5.546 -8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.246 -5.749 -9.824 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.384 -7.044 -10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.098 -7.825 -10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.886 -8.598 -9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.783 -7.343 -8.707 1.00 0.00 H new ATOM 1191 N GLY A 70 14.851 -7.859 -4.501 1.00 0.00 N ATOM 1192 CA GLY A 70 14.337 -7.347 -3.208 1.00 0.00 C ATOM 1193 C GLY A 70 12.920 -7.875 -2.979 1.00 0.00 C ATOM 1194 O GLY A 70 12.158 -8.061 -3.907 1.00 0.00 O ATOM 0 H GLY A 70 15.075 -8.854 -4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.990 -7.662 -2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.335 -6.257 -3.211 1.00 0.00 H new ATOM 1198 N ALA A 71 12.559 -8.119 -1.749 1.00 0.00 N ATOM 1199 CA ALA A 71 11.193 -8.635 -1.462 1.00 0.00 C ATOM 1200 C ALA A 71 10.153 -7.608 -1.913 1.00 0.00 C ATOM 1201 O ALA A 71 10.403 -6.419 -1.914 1.00 0.00 O ATOM 1202 CB ALA A 71 11.045 -8.884 0.041 1.00 0.00 C ATOM 0 H ALA A 71 13.152 -7.983 -0.931 1.00 0.00 H new ATOM 0 HA ALA A 71 11.039 -9.569 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.044 -9.262 0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.784 -9.617 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.201 -7.950 0.582 1.00 0.00 H new ATOM 1208 N VAL A 72 8.988 -8.055 -2.296 1.00 0.00 N ATOM 1209 CA VAL A 72 7.937 -7.099 -2.744 1.00 0.00 C ATOM 1210 C VAL A 72 6.649 -7.345 -1.962 1.00 0.00 C ATOM 1211 O VAL A 72 6.357 -8.451 -1.553 1.00 0.00 O ATOM 1212 CB VAL A 72 7.665 -7.291 -4.236 1.00 0.00 C ATOM 1213 CG1 VAL A 72 8.773 -6.619 -5.049 1.00 0.00 C ATOM 1214 CG2 VAL A 72 7.631 -8.786 -4.559 1.00 0.00 C ATOM 0 H VAL A 72 8.719 -9.039 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 72 8.283 -6.081 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 72 6.705 -6.841 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.578 -6.756 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.798 -5.554 -4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.734 -7.067 -4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.437 -8.924 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.591 -9.235 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.841 -9.265 -3.981 1.00 0.00 H new ATOM 1224 N TRP A 73 5.876 -6.317 -1.749 1.00 0.00 N ATOM 1225 CA TRP A 73 4.608 -6.482 -0.992 1.00 0.00 C ATOM 1226 C TRP A 73 3.487 -6.907 -1.941 1.00 0.00 C ATOM 1227 O TRP A 73 3.233 -6.264 -2.936 1.00 0.00 O ATOM 1228 CB TRP A 73 4.235 -5.161 -0.318 1.00 0.00 C ATOM 1229 CG TRP A 73 5.297 -4.793 0.665 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.235 -3.840 0.473 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.548 -5.356 1.985 1.00 0.00 C ATOM 1232 NE1 TRP A 73 7.048 -3.780 1.590 1.00 0.00 N ATOM 1233 CE2 TRP A 73 6.664 -4.697 2.551 1.00 0.00 C ATOM 1234 CE3 TRP A 73 4.921 -6.366 2.738 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 7.144 -5.028 3.819 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 5.400 -6.701 4.015 1.00 0.00 C ATOM 1237 CH2 TRP A 73 6.509 -6.033 4.554 1.00 0.00 C ATOM 0 H TRP A 73 6.070 -5.368 -2.068 1.00 0.00 H new ATOM 0 HA TRP A 73 4.745 -7.251 -0.232 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.127 -4.375 -1.066 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.273 -5.255 0.186 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.334 -3.225 -0.409 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.834 -3.138 1.692 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.066 -6.887 2.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 7.999 -4.512 4.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 4.912 -7.477 4.585 1.00 0.00 H new ATOM 0 HH2 TRP A 73 6.872 -6.295 5.537 1.00 0.00 H new ATOM 1248 N THR A 74 2.814 -7.988 -1.653 1.00 0.00 N ATOM 1249 CA THR A 74 1.731 -8.431 -2.558 1.00 0.00 C ATOM 1250 C THR A 74 0.441 -8.678 -1.775 1.00 0.00 C ATOM 1251 O THR A 74 0.461 -9.053 -0.621 1.00 0.00 O ATOM 1252 CB THR A 74 2.163 -9.716 -3.260 1.00 0.00 C ATOM 1253 OG1 THR A 74 1.129 -10.149 -4.134 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.441 -10.800 -2.218 1.00 0.00 C ATOM 0 H THR A 74 2.970 -8.576 -0.834 1.00 0.00 H new ATOM 0 HA THR A 74 1.541 -7.650 -3.295 1.00 0.00 H new ATOM 0 HB THR A 74 3.069 -9.528 -3.836 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.604 -9.376 -4.428 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.749 -11.717 -2.720 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.236 -10.467 -1.550 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.537 -10.989 -1.640 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.684 -8.476 -2.409 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.985 -8.703 -1.721 1.00 0.00 C ATOM 1264 C VAL A 75 -2.662 -9.933 -2.330 1.00 0.00 C ATOM 1265 O VAL A 75 -2.682 -10.109 -3.532 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.883 -7.478 -1.910 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -4.312 -7.820 -1.481 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -2.357 -6.328 -1.050 1.00 0.00 C ATOM 0 H VAL A 75 -0.756 -8.163 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.817 -8.864 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.880 -7.183 -2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.951 -6.947 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.688 -8.642 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.316 -8.114 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.994 -5.454 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.362 -6.626 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.339 -6.084 -1.352 1.00 0.00 H new ATOM 1278 N ASP A 76 -3.217 -10.786 -1.515 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.888 -12.000 -2.058 1.00 0.00 C ATOM 1280 C ASP A 76 -5.403 -11.811 -2.003 1.00 0.00 C ATOM 1281 O ASP A 76 -5.982 -11.666 -0.946 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.497 -13.223 -1.223 1.00 0.00 C ATOM 1283 CG ASP A 76 -2.551 -14.112 -2.034 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -1.504 -13.626 -2.425 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -2.892 -15.264 -2.248 1.00 0.00 O ATOM 0 H ASP A 76 -3.235 -10.696 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.576 -12.153 -3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.013 -12.906 -0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.388 -13.784 -0.940 1.00 0.00 H new ATOM 1290 N GLU A 77 -6.051 -11.812 -3.135 1.00 0.00 N ATOM 1291 CA GLU A 77 -7.529 -11.633 -3.141 1.00 0.00 C ATOM 1292 C GLU A 77 -8.157 -12.646 -2.183 1.00 0.00 C ATOM 1293 O GLU A 77 -9.227 -12.430 -1.650 1.00 0.00 O ATOM 1294 CB GLU A 77 -8.067 -11.857 -4.556 1.00 0.00 C ATOM 1295 CG GLU A 77 -7.464 -10.817 -5.503 1.00 0.00 C ATOM 1296 CD GLU A 77 -8.480 -10.470 -6.593 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -9.658 -10.704 -6.373 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -8.064 -9.977 -7.628 1.00 0.00 O ATOM 0 H GLU A 77 -5.622 -11.929 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.780 -10.622 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.817 -12.862 -4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.154 -11.780 -4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.189 -9.920 -4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.550 -11.206 -5.953 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.494 -13.745 -1.952 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.046 -14.763 -1.021 1.00 0.00 C ATOM 1307 C VAL A 78 -8.101 -14.169 0.386 1.00 0.00 C ATOM 1308 O VAL A 78 -9.145 -14.096 1.003 1.00 0.00 O ATOM 1309 CB VAL A 78 -7.144 -16.000 -1.024 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -7.612 -16.977 0.056 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -7.220 -16.679 -2.394 1.00 0.00 C ATOM 0 H VAL A 78 -6.593 -13.980 -2.369 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.048 -15.051 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.116 -15.702 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.969 -17.857 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.560 -16.493 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.640 -17.278 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.579 -17.560 -2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.249 -16.978 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.887 -15.983 -3.164 1.00 0.00 H new ATOM 1321 N GLU A 79 -6.980 -13.736 0.893 1.00 0.00 N ATOM 1322 CA GLU A 79 -6.957 -13.137 2.253 1.00 0.00 C ATOM 1323 C GLU A 79 -7.698 -11.800 2.231 1.00 0.00 C ATOM 1324 O GLU A 79 -8.533 -11.526 3.070 1.00 0.00 O ATOM 1325 CB GLU A 79 -5.509 -12.905 2.686 1.00 0.00 C ATOM 1326 CG GLU A 79 -4.998 -14.132 3.440 1.00 0.00 C ATOM 1327 CD GLU A 79 -3.633 -14.542 2.885 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -2.818 -13.663 2.659 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -3.425 -15.730 2.694 1.00 0.00 O ATOM 0 H GLU A 79 -6.077 -13.772 0.421 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.443 -13.814 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.884 -12.715 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.446 -12.022 3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.918 -13.910 4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.706 -14.955 3.338 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.399 -10.965 1.274 1.00 0.00 N ATOM 1337 CA PHE A 80 -8.083 -9.646 1.194 1.00 0.00 C ATOM 1338 C PHE A 80 -9.594 -9.862 1.103 1.00 0.00 C ATOM 1339 O PHE A 80 -10.364 -9.241 1.807 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.594 -8.894 -0.047 1.00 0.00 C ATOM 1341 CG PHE A 80 -8.015 -7.446 0.038 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -9.338 -7.084 -0.245 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -7.082 -6.466 0.396 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -9.727 -5.742 -0.169 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -7.472 -5.123 0.472 1.00 0.00 C ATOM 1346 CZ PHE A 80 -8.794 -4.761 0.190 1.00 0.00 C ATOM 0 H PHE A 80 -6.709 -11.141 0.543 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.855 -9.060 2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.509 -8.964 -0.122 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.006 -9.351 -0.947 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.058 -7.840 -0.522 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.062 -6.745 0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.747 -5.463 -0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.752 -4.367 0.748 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.095 -3.725 0.249 1.00 0.00 H new ATOM 1356 N GLN A 81 -10.025 -10.742 0.240 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.486 -11.001 0.106 1.00 0.00 C ATOM 1358 C GLN A 81 -11.966 -11.832 1.297 1.00 0.00 C ATOM 1359 O GLN A 81 -13.141 -11.872 1.605 1.00 0.00 O ATOM 1360 CB GLN A 81 -11.751 -11.767 -1.192 1.00 0.00 C ATOM 1361 CG GLN A 81 -13.212 -11.579 -1.605 1.00 0.00 C ATOM 1362 CD GLN A 81 -13.499 -12.401 -2.863 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -13.695 -11.853 -3.929 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -13.532 -13.703 -2.783 1.00 0.00 N ATOM 0 H GLN A 81 -9.428 -11.292 -0.378 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.024 -10.053 0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.090 -11.408 -1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.535 -12.826 -1.053 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.872 -11.891 -0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.415 -10.525 -1.793 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.367 -14.163 -1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.722 -14.260 -3.616 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.067 -12.496 1.971 1.00 0.00 N ATOM 1374 CA LYS A 82 -11.474 -13.322 3.140 1.00 0.00 C ATOM 1375 C LYS A 82 -12.110 -12.420 4.200 1.00 0.00 C ATOM 1376 O LYS A 82 -12.853 -12.872 5.049 1.00 0.00 O ATOM 1377 CB LYS A 82 -10.244 -14.017 3.729 1.00 0.00 C ATOM 1378 CG LYS A 82 -10.677 -14.949 4.865 1.00 0.00 C ATOM 1379 CD LYS A 82 -9.770 -16.181 4.887 1.00 0.00 C ATOM 1380 CE LYS A 82 -10.619 -17.443 4.708 1.00 0.00 C ATOM 1381 NZ LYS A 82 -10.881 -18.058 6.041 1.00 0.00 N ATOM 0 H LYS A 82 -10.069 -12.501 1.762 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.195 -14.075 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.729 -14.585 2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.538 -13.275 4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.622 -14.426 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.715 -15.251 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.028 -16.113 4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.224 -16.227 5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.561 -17.194 4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.102 -18.154 4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.458 -18.915 5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.978 -18.309 6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.391 -17.380 6.642 1.00 0.00 H new ATOM 1395 N ARG A 83 -11.826 -11.147 4.157 1.00 0.00 N ATOM 1396 CA ARG A 83 -12.411 -10.220 5.156 1.00 0.00 C ATOM 1397 C ARG A 83 -13.022 -9.013 4.441 1.00 0.00 C ATOM 1398 O ARG A 83 -13.033 -7.913 4.958 1.00 0.00 O ATOM 1399 CB ARG A 83 -11.320 -9.752 6.119 1.00 0.00 C ATOM 1400 CG ARG A 83 -11.927 -9.529 7.505 1.00 0.00 C ATOM 1401 CD ARG A 83 -11.258 -8.322 8.162 1.00 0.00 C ATOM 1402 NE ARG A 83 -10.850 -8.677 9.550 1.00 0.00 N ATOM 1403 CZ ARG A 83 -9.649 -8.388 9.971 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -8.616 -9.002 9.464 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -9.483 -7.485 10.897 1.00 0.00 N ATOM 0 H ARG A 83 -11.212 -10.711 3.469 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.190 -10.736 5.717 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.525 -10.495 6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.869 -8.829 5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.001 -9.363 7.422 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.788 -10.417 8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.387 -8.015 7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.945 -7.476 8.178 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.509 -9.146 10.171 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.747 -9.707 8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.677 -8.777 9.792 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.292 -7.005 11.292 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.545 -7.259 11.226 1.00 0.00 H new