USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 735 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 86 THR OG1 : rot 180:sc= -0.746 USER MOD Set 1.2: A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= -1.35 F(o=-2.4!,f=0.42) USER MOD Set 2.2: A 99 LYS NZ :NH3+ -168:sc= 1.77 (180deg=1.82) USER MOD Set 3.1: A 76 LYS NZ :NH3+ 165:sc= 1.59 (180deg=0.549) USER MOD Set 3.2: A 112 GLN : amide:sc= -0.573 K(o=1,f=-4.7!) USER MOD Set 4.1: A 20 LYS NZ :NH3+ -175:sc= 0.543 (180deg=-0.299) USER MOD Set 4.2: A 98 THR OG1 : rot -146:sc= -4.63! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -4.42! C(o=-4.4!,f=-5.8!) USER MOD Single : A 19 HIS : no HD1:sc= -0.033 X(o=-0.033,f=-0.011) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.121 F(o=-1.4!,f=-0.12) USER MOD Single : A 26 ASN : amide:sc= 0.672 K(o=0.67,f=-0.005) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.14) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN :FLIP amide:sc= -1.76 F(o=-3.5!,f=-1.8) USER MOD Single : A 78 MET CE :methyl 163:sc= -5.03! (180deg=-6.6!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0817 F(o=-1.3!,f=-0.082) USER MOD Single : A 85 MET CE :methyl -107:sc= -5.98! (180deg=-9.12!) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.893 USER MOD Single : A 90 HIS : no HD1:sc= -2.73! C(o=-2.7!,f=-4.7!) USER MOD Single : A 92 GLN : amide:sc= 0.904 K(o=0.9,f=-3.7!) USER MOD Single : A 95 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000753) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 72:sc= 1.1 USER MOD Single : A 113 SER OG : rot -59:sc= 0.187 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -14.997 6.323 3.853 1.00 1.00 N ATOM 140 CA THR A 10 -14.807 5.263 4.821 1.00 1.07 C ATOM 141 C THR A 10 -14.275 4.012 4.160 1.00 0.92 C ATOM 142 O THR A 10 -14.995 3.089 3.771 1.00 0.99 O ATOM 143 CB THR A 10 -16.085 4.976 5.621 1.00 1.30 C ATOM 144 OG1 THR A 10 -15.930 3.828 6.473 1.00 2.09 O ATOM 145 CG2 THR A 10 -17.259 4.784 4.692 1.00 1.90 C ATOM 0 HA THR A 10 -14.059 5.608 5.535 1.00 1.07 H new ATOM 0 HB THR A 10 -16.275 5.840 6.258 1.00 1.30 H new ATOM 0 HG1 THR A 10 -16.761 3.674 6.969 1.00 2.09 H new ATOM 0 HG21 THR A 10 -18.156 4.581 5.277 1.00 1.90 H new ATOM 0 HG22 THR A 10 -17.407 5.688 4.101 1.00 1.90 H new ATOM 0 HG23 THR A 10 -17.062 3.944 4.026 1.00 1.90 H new ATOM 153 N ALA A 11 -12.993 4.061 3.991 1.00 0.83 N ATOM 154 CA ALA A 11 -12.199 2.924 3.603 1.00 0.74 C ATOM 155 C ALA A 11 -11.598 2.326 4.853 1.00 0.77 C ATOM 156 O ALA A 11 -11.301 3.048 5.808 1.00 0.96 O ATOM 157 CB ALA A 11 -11.106 3.338 2.635 1.00 0.70 C ATOM 0 H ALA A 11 -12.448 4.913 4.121 1.00 0.83 H new ATOM 0 HA ALA A 11 -12.824 2.189 3.096 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -10.518 2.464 2.355 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.556 3.774 1.743 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.458 4.074 3.111 1.00 0.70 H new ATOM 163 N VAL A 12 -11.407 1.032 4.853 1.00 0.65 N ATOM 164 CA VAL A 12 -10.964 0.352 6.056 1.00 0.72 C ATOM 165 C VAL A 12 -9.456 0.177 6.062 1.00 0.54 C ATOM 166 O VAL A 12 -8.864 -0.277 5.085 1.00 0.54 O ATOM 167 CB VAL A 12 -11.660 -1.017 6.253 1.00 0.89 C ATOM 168 CG1 VAL A 12 -13.154 -0.819 6.452 1.00 1.57 C ATOM 169 CG2 VAL A 12 -11.396 -1.956 5.082 1.00 1.38 C ATOM 0 H VAL A 12 -11.548 0.427 4.044 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.250 0.989 6.893 1.00 0.72 H new ATOM 0 HB VAL A 12 -11.240 -1.482 7.145 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -13.634 -1.788 6.590 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -13.325 -0.201 7.333 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -13.576 -0.326 5.576 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -11.901 -2.906 5.257 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -11.775 -1.508 4.164 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -10.324 -2.127 4.987 1.00 1.38 H new ATOM 179 N VAL A 13 -8.834 0.555 7.163 1.00 0.52 N ATOM 180 CA VAL A 13 -7.391 0.466 7.285 1.00 0.44 C ATOM 181 C VAL A 13 -6.976 -0.936 7.697 1.00 0.41 C ATOM 182 O VAL A 13 -7.243 -1.380 8.812 1.00 0.50 O ATOM 183 CB VAL A 13 -6.835 1.474 8.307 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.315 1.419 8.343 1.00 0.90 C ATOM 185 CG2 VAL A 13 -7.315 2.884 7.993 1.00 1.02 C ATOM 0 H VAL A 13 -9.306 0.927 7.987 1.00 0.52 H new ATOM 0 HA VAL A 13 -6.976 0.704 6.305 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.211 1.200 9.293 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -4.942 2.139 9.071 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -4.994 0.417 8.626 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -4.919 1.662 7.357 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -6.909 3.579 8.729 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -6.976 3.171 6.998 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -8.404 2.914 8.028 1.00 1.02 H new ATOM 195 N GLN A 14 -6.343 -1.630 6.778 1.00 0.37 N ATOM 196 CA GLN A 14 -5.792 -2.952 7.064 1.00 0.40 C ATOM 197 C GLN A 14 -4.287 -2.939 6.849 1.00 0.32 C ATOM 198 O GLN A 14 -3.757 -2.048 6.209 1.00 0.41 O ATOM 199 CB GLN A 14 -6.456 -4.019 6.195 1.00 0.51 C ATOM 200 CG GLN A 14 -6.100 -3.929 4.732 1.00 0.53 C ATOM 201 CD GLN A 14 -5.241 -5.081 4.270 1.00 0.64 C ATOM 202 OE1 GLN A 14 -5.753 -6.112 3.837 1.00 1.39 O ATOM 203 NE2 GLN A 14 -3.933 -4.915 4.366 1.00 0.55 N ATOM 0 H GLN A 14 -6.193 -1.307 5.822 1.00 0.37 H new ATOM 0 HA GLN A 14 -5.997 -3.200 8.106 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -6.173 -5.004 6.567 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.538 -3.937 6.301 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -7.015 -3.903 4.140 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.574 -2.992 4.547 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -3.555 -4.041 4.732 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -3.301 -5.661 4.074 1.00 0.55 H new ATOM 212 N ARG A 15 -3.587 -3.915 7.373 1.00 0.32 N ATOM 213 CA ARG A 15 -2.141 -3.888 7.304 1.00 0.39 C ATOM 214 C ARG A 15 -1.584 -5.172 6.713 1.00 0.33 C ATOM 215 O ARG A 15 -1.876 -6.269 7.183 1.00 0.55 O ATOM 216 CB ARG A 15 -1.527 -3.554 8.668 1.00 0.70 C ATOM 217 CG ARG A 15 -2.326 -4.029 9.867 1.00 0.75 C ATOM 218 CD ARG A 15 -1.989 -5.457 10.195 1.00 1.44 C ATOM 219 NE ARG A 15 -2.725 -5.944 11.357 1.00 2.26 N ATOM 220 CZ ARG A 15 -3.012 -7.226 11.586 1.00 2.85 C ATOM 221 NH1 ARG A 15 -2.594 -8.170 10.758 1.00 2.98 N ATOM 222 NH2 ARG A 15 -3.715 -7.559 12.655 1.00 3.63 N ATOM 0 H ARG A 15 -3.984 -4.727 7.845 1.00 0.32 H new ATOM 0 HA ARG A 15 -1.854 -3.087 6.623 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -0.531 -3.993 8.718 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -1.403 -2.473 8.739 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -2.115 -3.393 10.727 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -3.392 -3.940 9.659 1.00 0.75 H new ATOM 0 HD2 ARG A 15 -2.213 -6.088 9.335 1.00 1.44 H new ATOM 0 HD3 ARG A 15 -0.919 -5.542 10.383 1.00 1.44 H new ATOM 0 HE ARG A 15 -3.042 -5.257 12.041 1.00 2.26 H new ATOM 0 HH11 ARG A 15 -2.046 -7.920 9.935 1.00 2.98 H new ATOM 0 HH12 ARG A 15 -2.820 -9.147 10.943 1.00 2.98 H new ATOM 0 HH21 ARG A 15 -4.035 -6.837 13.300 1.00 3.63 H new ATOM 0 HH22 ARG A 15 -3.937 -8.538 12.835 1.00 3.63 H new ATOM 236 N VAL A 16 -0.801 -5.015 5.663 1.00 0.25 N ATOM 237 CA VAL A 16 -0.204 -6.117 4.959 1.00 0.30 C ATOM 238 C VAL A 16 1.167 -6.440 5.549 1.00 0.26 C ATOM 239 O VAL A 16 2.021 -5.569 5.668 1.00 0.40 O ATOM 240 CB VAL A 16 -0.070 -5.756 3.459 1.00 0.51 C ATOM 241 CG1 VAL A 16 0.954 -6.623 2.752 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.415 -5.869 2.768 1.00 0.64 C ATOM 0 H VAL A 16 -0.563 -4.102 5.275 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.839 -6.997 5.062 1.00 0.30 H new ATOM 0 HB VAL A 16 0.280 -4.725 3.404 1.00 0.51 H new ATOM 0 HG11 VAL A 16 1.014 -6.334 1.703 1.00 1.02 H new ATOM 0 HG12 VAL A 16 1.929 -6.490 3.221 1.00 1.02 H new ATOM 0 HG13 VAL A 16 0.656 -7.669 2.823 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -1.305 -5.612 1.714 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.785 -6.891 2.856 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -2.123 -5.185 3.236 1.00 0.64 H new ATOM 252 N GLU A 17 1.363 -7.682 5.942 1.00 0.22 N ATOM 253 CA GLU A 17 2.656 -8.121 6.426 1.00 0.25 C ATOM 254 C GLU A 17 3.136 -9.305 5.614 1.00 0.24 C ATOM 255 O GLU A 17 2.527 -10.380 5.650 1.00 0.28 O ATOM 256 CB GLU A 17 2.593 -8.489 7.908 1.00 0.33 C ATOM 257 CG GLU A 17 3.905 -9.039 8.457 1.00 0.44 C ATOM 258 CD GLU A 17 3.871 -9.247 9.957 1.00 0.75 C ATOM 259 OE1 GLU A 17 3.652 -8.264 10.695 1.00 1.35 O ATOM 260 OE2 GLU A 17 4.069 -10.398 10.407 1.00 1.31 O ATOM 0 H GLU A 17 0.644 -8.405 5.936 1.00 0.22 H new ATOM 0 HA GLU A 17 3.361 -7.298 6.313 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.311 -7.606 8.481 1.00 0.33 H new ATOM 0 HB3 GLU A 17 1.808 -9.230 8.057 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.129 -9.987 7.968 1.00 0.44 H new ATOM 0 HG3 GLU A 17 4.714 -8.353 8.208 1.00 0.44 H new ATOM 267 N ILE A 18 4.216 -9.117 4.874 1.00 0.24 N ATOM 268 CA ILE A 18 4.744 -10.179 4.072 1.00 0.24 C ATOM 269 C ILE A 18 6.248 -10.085 4.057 1.00 0.27 C ATOM 270 O ILE A 18 6.812 -8.998 3.976 1.00 0.33 O ATOM 271 CB ILE A 18 4.179 -10.159 2.635 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.506 -11.477 1.933 1.00 0.34 C ATOM 273 CG2 ILE A 18 4.719 -8.976 1.840 1.00 0.27 C ATOM 274 CD1 ILE A 18 3.884 -12.685 2.602 1.00 0.61 C ATOM 0 H ILE A 18 4.733 -8.240 4.820 1.00 0.24 H new ATOM 0 HA ILE A 18 4.438 -11.128 4.514 1.00 0.24 H new ATOM 0 HB ILE A 18 3.097 -10.044 2.693 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.161 -11.425 0.900 1.00 0.34 H new ATOM 0 HG13 ILE A 18 5.588 -11.605 1.902 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.301 -8.993 0.834 1.00 0.27 H new ATOM 0 HG22 ILE A 18 4.437 -8.046 2.334 1.00 0.27 H new ATOM 0 HG23 ILE A 18 5.806 -9.042 1.783 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.157 -13.586 2.052 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.248 -12.761 3.627 1.00 0.61 H new ATOM 0 HD13 ILE A 18 2.799 -12.579 2.609 1.00 0.61 H new ATOM 286 N HIS A 19 6.893 -11.217 4.190 1.00 0.30 N ATOM 287 CA HIS A 19 8.335 -11.250 4.226 1.00 0.33 C ATOM 288 C HIS A 19 8.906 -10.803 2.888 1.00 0.35 C ATOM 289 O HIS A 19 8.627 -11.418 1.858 1.00 0.40 O ATOM 290 CB HIS A 19 8.825 -12.652 4.607 1.00 0.39 C ATOM 291 CG HIS A 19 8.608 -12.976 6.055 1.00 0.44 C ATOM 292 ND1 HIS A 19 9.615 -13.400 6.898 1.00 0.54 N ATOM 293 CD2 HIS A 19 7.487 -12.932 6.812 1.00 0.46 C ATOM 294 CE1 HIS A 19 9.120 -13.601 8.106 1.00 0.60 C ATOM 295 NE2 HIS A 19 7.830 -13.322 8.078 1.00 0.56 N ATOM 0 H HIS A 19 6.443 -12.128 4.275 1.00 0.30 H new ATOM 0 HA HIS A 19 8.689 -10.555 4.988 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.308 -13.390 3.994 1.00 0.39 H new ATOM 0 HB3 HIS A 19 9.887 -12.734 4.377 1.00 0.39 H new ATOM 0 HD2 HIS A 19 6.502 -12.642 6.478 1.00 0.46 H new ATOM 0 HE1 HIS A 19 9.676 -13.936 8.969 1.00 0.60 H new ATOM 0 HE2 HIS A 19 7.192 -13.387 8.871 1.00 0.56 H new ATOM 304 N LYS A 20 9.627 -9.672 2.923 1.00 0.34 N ATOM 305 CA LYS A 20 10.394 -9.162 1.780 1.00 0.36 C ATOM 306 C LYS A 20 10.937 -10.323 0.955 1.00 0.36 C ATOM 307 O LYS A 20 11.607 -11.205 1.494 1.00 0.42 O ATOM 308 CB LYS A 20 11.555 -8.321 2.295 1.00 0.40 C ATOM 309 CG LYS A 20 12.308 -7.582 1.215 1.00 1.42 C ATOM 310 CD LYS A 20 11.679 -6.233 0.900 1.00 2.33 C ATOM 311 CE LYS A 20 10.413 -6.355 0.079 1.00 3.13 C ATOM 312 NZ LYS A 20 9.816 -5.022 -0.201 1.00 4.00 N ATOM 0 H LYS A 20 9.694 -9.082 3.753 1.00 0.34 H new ATOM 0 HA LYS A 20 9.743 -8.554 1.152 1.00 0.36 H new ATOM 0 HB2 LYS A 20 11.174 -7.598 3.017 1.00 0.40 H new ATOM 0 HB3 LYS A 20 12.250 -8.969 2.829 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.341 -7.435 1.530 1.00 1.42 H new ATOM 0 HG3 LYS A 20 12.333 -8.190 0.311 1.00 1.42 H new ATOM 0 HD2 LYS A 20 11.454 -5.715 1.832 1.00 2.33 H new ATOM 0 HD3 LYS A 20 12.399 -5.618 0.360 1.00 2.33 H new ATOM 0 HE2 LYS A 20 10.635 -6.861 -0.861 1.00 3.13 H new ATOM 0 HE3 LYS A 20 9.691 -6.974 0.611 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 8.907 -5.145 -0.691 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 9.661 -4.516 0.694 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 10.462 -4.472 -0.802 1.00 4.00 H new ATOM 326 N LEU A 21 10.681 -10.334 -0.344 1.00 0.33 N ATOM 327 CA LEU A 21 10.850 -11.574 -1.085 1.00 0.37 C ATOM 328 C LEU A 21 12.117 -11.559 -1.900 1.00 0.41 C ATOM 329 O LEU A 21 12.100 -11.312 -3.098 1.00 0.45 O ATOM 330 CB LEU A 21 9.637 -11.857 -1.976 1.00 0.38 C ATOM 331 CG LEU A 21 9.643 -13.223 -2.665 1.00 0.45 C ATOM 332 CD1 LEU A 21 9.553 -14.334 -1.631 1.00 0.55 C ATOM 333 CD2 LEU A 21 8.499 -13.326 -3.657 1.00 0.48 C ATOM 0 H LEU A 21 10.367 -9.532 -0.890 1.00 0.33 H new ATOM 0 HA LEU A 21 10.930 -12.380 -0.356 1.00 0.37 H new ATOM 0 HB2 LEU A 21 8.734 -11.777 -1.371 1.00 0.38 H new ATOM 0 HB3 LEU A 21 9.578 -11.082 -2.740 1.00 0.38 H new ATOM 0 HG LEU A 21 10.580 -13.331 -3.212 1.00 0.45 H new ATOM 0 HD11 LEU A 21 9.558 -15.301 -2.134 1.00 0.55 H new ATOM 0 HD12 LEU A 21 10.406 -14.272 -0.955 1.00 0.55 H new ATOM 0 HD13 LEU A 21 8.630 -14.227 -1.061 1.00 0.55 H new ATOM 0 HD21 LEU A 21 8.520 -14.305 -4.137 1.00 0.48 H new ATOM 0 HD22 LEU A 21 7.551 -13.199 -3.134 1.00 0.48 H new ATOM 0 HD23 LEU A 21 8.603 -12.549 -4.414 1.00 0.48 H new ATOM 345 N ARG A 22 13.219 -11.814 -1.235 1.00 0.51 N ATOM 346 CA ARG A 22 14.506 -11.823 -1.889 1.00 0.61 C ATOM 347 C ARG A 22 14.554 -12.886 -2.986 1.00 0.60 C ATOM 348 O ARG A 22 14.097 -14.015 -2.808 1.00 0.66 O ATOM 349 CB ARG A 22 15.616 -12.022 -0.865 1.00 0.88 C ATOM 350 CG ARG A 22 15.627 -13.384 -0.194 1.00 1.19 C ATOM 351 CD ARG A 22 16.845 -13.523 0.706 1.00 1.94 C ATOM 352 NE ARG A 22 16.887 -14.818 1.387 1.00 2.47 N ATOM 353 CZ ARG A 22 16.819 -14.973 2.711 1.00 3.28 C ATOM 354 NH1 ARG A 22 16.687 -13.921 3.513 1.00 3.78 N ATOM 355 NH2 ARG A 22 16.867 -16.188 3.235 1.00 3.97 N ATOM 0 H ARG A 22 13.250 -12.019 -0.236 1.00 0.51 H new ATOM 0 HA ARG A 22 14.661 -10.857 -2.369 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.576 -11.867 -1.356 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.524 -11.255 -0.096 1.00 0.88 H new ATOM 0 HG2 ARG A 22 14.717 -13.515 0.392 1.00 1.19 H new ATOM 0 HG3 ARG A 22 15.635 -14.169 -0.950 1.00 1.19 H new ATOM 0 HD2 ARG A 22 17.750 -13.398 0.111 1.00 1.94 H new ATOM 0 HD3 ARG A 22 16.839 -12.725 1.448 1.00 1.94 H new ATOM 0 HE ARG A 22 16.974 -15.656 0.813 1.00 2.47 H new ATOM 0 HH11 ARG A 22 16.636 -12.982 3.118 1.00 3.78 H new ATOM 0 HH12 ARG A 22 16.636 -14.053 4.523 1.00 3.78 H new ATOM 0 HH21 ARG A 22 16.956 -17.002 2.627 1.00 3.97 H new ATOM 0 HH22 ARG A 22 16.815 -16.310 4.246 1.00 3.97 H new ATOM 369 N GLN A 23 15.108 -12.500 -4.118 1.00 0.68 N ATOM 370 CA GLN A 23 15.127 -13.336 -5.295 1.00 0.81 C ATOM 371 C GLN A 23 16.565 -13.555 -5.724 1.00 0.93 C ATOM 372 O GLN A 23 17.120 -12.732 -6.446 1.00 1.02 O ATOM 373 CB GLN A 23 14.371 -12.638 -6.425 1.00 0.90 C ATOM 374 CG GLN A 23 13.831 -13.580 -7.477 1.00 1.04 C ATOM 375 CD GLN A 23 12.705 -14.464 -6.965 1.00 0.92 C ATOM 376 OE1 GLN A 23 11.952 -13.975 -5.983 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 12.515 -15.581 -7.448 1.00 0.69 N flip ATOM 0 H GLN A 23 15.559 -11.594 -4.245 1.00 0.68 H new ATOM 0 HA GLN A 23 14.654 -14.293 -5.073 1.00 0.81 H new ATOM 0 HB2 GLN A 23 13.543 -12.072 -5.999 1.00 0.90 H new ATOM 0 HB3 GLN A 23 15.036 -11.919 -6.903 1.00 0.90 H new ATOM 0 HG2 GLN A 23 13.471 -12.999 -8.326 1.00 1.04 H new ATOM 0 HG3 GLN A 23 14.642 -14.210 -7.843 1.00 1.04 H new ATOM 0 HE21 GLN A 23 13.115 -15.920 -8.200 1.00 0.69 H new ATOM 0 HE22 GLN A 23 11.758 -16.167 -7.096 1.00 0.69 H new ATOM 386 N GLY A 24 17.162 -14.651 -5.282 1.00 1.03 N ATOM 387 CA GLY A 24 18.556 -14.912 -5.586 1.00 1.19 C ATOM 388 C GLY A 24 19.477 -13.869 -4.989 1.00 1.23 C ATOM 389 O GLY A 24 19.950 -14.015 -3.863 1.00 1.33 O ATOM 0 H GLY A 24 16.706 -15.367 -4.717 1.00 1.03 H new ATOM 0 HA2 GLY A 24 18.831 -15.896 -5.207 1.00 1.19 H new ATOM 0 HA3 GLY A 24 18.692 -14.938 -6.667 1.00 1.19 H new ATOM 393 N GLU A 25 19.721 -12.812 -5.746 1.00 1.27 N ATOM 394 CA GLU A 25 20.610 -11.749 -5.319 1.00 1.43 C ATOM 395 C GLU A 25 19.849 -10.439 -5.160 1.00 1.40 C ATOM 396 O GLU A 25 20.386 -9.436 -4.684 1.00 1.61 O ATOM 397 CB GLU A 25 21.717 -11.604 -6.346 1.00 1.67 C ATOM 398 CG GLU A 25 22.378 -12.928 -6.665 1.00 1.84 C ATOM 399 CD GLU A 25 23.149 -12.890 -7.957 1.00 2.03 C ATOM 400 OE1 GLU A 25 22.523 -12.987 -9.031 1.00 2.21 O ATOM 401 OE2 GLU A 25 24.387 -12.749 -7.904 1.00 2.33 O ATOM 0 H GLU A 25 19.310 -12.669 -6.668 1.00 1.27 H new ATOM 0 HA GLU A 25 21.039 -11.998 -4.348 1.00 1.43 H new ATOM 0 HB2 GLU A 25 21.308 -11.174 -7.260 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.467 -10.906 -5.974 1.00 1.67 H new ATOM 0 HG2 GLU A 25 23.051 -13.200 -5.852 1.00 1.84 H new ATOM 0 HG3 GLU A 25 21.617 -13.706 -6.722 1.00 1.84 H new ATOM 408 N ASN A 26 18.590 -10.464 -5.557 1.00 1.21 N ATOM 409 CA ASN A 26 17.738 -9.286 -5.489 1.00 1.23 C ATOM 410 C ASN A 26 16.718 -9.477 -4.391 1.00 1.05 C ATOM 411 O ASN A 26 16.741 -10.485 -3.696 1.00 1.06 O ATOM 412 CB ASN A 26 16.990 -9.076 -6.809 1.00 1.31 C ATOM 413 CG ASN A 26 17.791 -9.520 -8.009 1.00 1.39 C ATOM 414 OD1 ASN A 26 18.523 -8.736 -8.612 1.00 1.87 O ATOM 415 ND2 ASN A 26 17.648 -10.787 -8.362 1.00 1.33 N ATOM 0 H ASN A 26 18.130 -11.293 -5.933 1.00 1.21 H new ATOM 0 HA ASN A 26 18.367 -8.418 -5.291 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.050 -9.627 -6.781 1.00 1.31 H new ATOM 0 HB3 ASN A 26 16.738 -8.021 -6.915 1.00 1.31 H new ATOM 0 HD21 ASN A 26 18.157 -11.153 -9.167 1.00 1.33 H new ATOM 0 HD22 ASN A 26 17.029 -11.398 -7.830 1.00 1.33 H new ATOM 422 N LEU A 27 15.835 -8.512 -4.218 1.00 0.95 N ATOM 423 CA LEU A 27 14.672 -8.703 -3.381 1.00 0.82 C ATOM 424 C LEU A 27 13.449 -8.246 -4.160 1.00 0.71 C ATOM 425 O LEU A 27 13.528 -7.299 -4.943 1.00 0.81 O ATOM 426 CB LEU A 27 14.797 -7.956 -2.049 1.00 0.93 C ATOM 427 CG LEU A 27 14.339 -6.502 -2.055 1.00 1.28 C ATOM 428 CD1 LEU A 27 14.443 -5.927 -0.660 1.00 2.28 C ATOM 429 CD2 LEU A 27 15.164 -5.667 -3.027 1.00 1.62 C ATOM 0 H LEU A 27 15.903 -7.589 -4.647 1.00 0.95 H new ATOM 0 HA LEU A 27 14.578 -9.759 -3.126 1.00 0.82 H new ATOM 0 HB2 LEU A 27 14.221 -8.495 -1.297 1.00 0.93 H new ATOM 0 HB3 LEU A 27 15.840 -7.987 -1.734 1.00 0.93 H new ATOM 0 HG LEU A 27 13.300 -6.473 -2.384 1.00 1.28 H new ATOM 0 HD11 LEU A 27 14.115 -4.888 -0.669 1.00 2.28 H new ATOM 0 HD12 LEU A 27 13.811 -6.501 0.018 1.00 2.28 H new ATOM 0 HD13 LEU A 27 15.478 -5.977 -0.322 1.00 2.28 H new ATOM 0 HD21 LEU A 27 14.813 -4.635 -3.009 1.00 1.62 H new ATOM 0 HD22 LEU A 27 16.213 -5.699 -2.734 1.00 1.62 H new ATOM 0 HD23 LEU A 27 15.056 -6.069 -4.034 1.00 1.62 H new ATOM 441 N ILE A 28 12.341 -8.915 -3.979 1.00 0.57 N ATOM 442 CA ILE A 28 11.147 -8.569 -4.709 1.00 0.52 C ATOM 443 C ILE A 28 10.190 -7.765 -3.853 1.00 0.44 C ATOM 444 O ILE A 28 9.906 -8.115 -2.698 1.00 0.43 O ATOM 445 CB ILE A 28 10.443 -9.819 -5.281 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.323 -10.442 -6.365 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.059 -9.480 -5.825 1.00 0.47 C ATOM 448 CD1 ILE A 28 11.898 -9.426 -7.331 1.00 0.80 C ATOM 0 H ILE A 28 12.239 -9.700 -3.335 1.00 0.57 H new ATOM 0 HA ILE A 28 11.458 -7.948 -5.549 1.00 0.52 H new ATOM 0 HB ILE A 28 10.300 -10.541 -4.477 1.00 0.53 H new ATOM 0 HG12 ILE A 28 12.141 -10.985 -5.891 1.00 0.75 H new ATOM 0 HG13 ILE A 28 10.737 -11.172 -6.923 1.00 0.75 H new ATOM 0 HG21 ILE A 28 8.592 -10.382 -6.220 1.00 0.47 H new ATOM 0 HG22 ILE A 28 8.443 -9.073 -5.023 1.00 0.47 H new ATOM 0 HG23 ILE A 28 9.152 -8.742 -6.621 1.00 0.47 H new ATOM 0 HD11 ILE A 28 12.512 -9.936 -8.073 1.00 0.80 H new ATOM 0 HD12 ILE A 28 11.085 -8.900 -7.832 1.00 0.80 H new ATOM 0 HD13 ILE A 28 12.511 -8.710 -6.784 1.00 0.80 H new ATOM 460 N LEU A 29 9.733 -6.663 -4.428 1.00 0.51 N ATOM 461 CA LEU A 29 8.736 -5.816 -3.812 1.00 0.55 C ATOM 462 C LEU A 29 7.373 -6.480 -3.891 1.00 0.73 C ATOM 463 O LEU A 29 6.731 -6.715 -2.870 1.00 1.74 O ATOM 464 CB LEU A 29 8.729 -4.446 -4.497 1.00 0.71 C ATOM 465 CG LEU A 29 7.707 -3.449 -3.959 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.735 -3.452 -2.443 1.00 1.28 C ATOM 467 CD2 LEU A 29 7.997 -2.052 -4.498 1.00 1.33 C ATOM 0 H LEU A 29 10.048 -6.334 -5.340 1.00 0.51 H new ATOM 0 HA LEU A 29 8.978 -5.670 -2.759 1.00 0.55 H new ATOM 0 HB2 LEU A 29 9.723 -4.007 -4.404 1.00 0.71 H new ATOM 0 HB3 LEU A 29 8.543 -4.592 -5.561 1.00 0.71 H new ATOM 0 HG LEU A 29 6.712 -3.744 -4.292 1.00 0.74 H new ATOM 0 HD11 LEU A 29 7.003 -2.738 -2.064 1.00 1.28 H new ATOM 0 HD12 LEU A 29 7.492 -4.449 -2.077 1.00 1.28 H new ATOM 0 HD13 LEU A 29 8.729 -3.170 -2.097 1.00 1.28 H new ATOM 0 HD21 LEU A 29 7.260 -1.351 -4.106 1.00 1.33 H new ATOM 0 HD22 LEU A 29 8.995 -1.742 -4.187 1.00 1.33 H new ATOM 0 HD23 LEU A 29 7.944 -2.064 -5.587 1.00 1.33 H new ATOM 479 N GLY A 30 6.936 -6.775 -5.102 1.00 0.40 N ATOM 480 CA GLY A 30 5.718 -7.528 -5.273 1.00 0.32 C ATOM 481 C GLY A 30 4.535 -6.663 -5.630 1.00 0.35 C ATOM 482 O GLY A 30 3.429 -7.163 -5.759 1.00 0.69 O ATOM 0 H GLY A 30 7.403 -6.506 -5.968 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.865 -8.273 -6.055 1.00 0.32 H new ATOM 0 HA3 GLY A 30 5.500 -8.070 -4.353 1.00 0.32 H new ATOM 486 N PHE A 31 4.749 -5.362 -5.737 1.00 0.29 N ATOM 487 CA PHE A 31 3.705 -4.447 -6.159 1.00 0.28 C ATOM 488 C PHE A 31 4.302 -3.167 -6.723 1.00 0.31 C ATOM 489 O PHE A 31 5.484 -2.888 -6.520 1.00 0.42 O ATOM 490 CB PHE A 31 2.750 -4.136 -5.003 1.00 0.28 C ATOM 491 CG PHE A 31 3.410 -3.696 -3.719 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.836 -4.633 -2.793 1.00 0.33 C ATOM 493 CD2 PHE A 31 3.573 -2.352 -3.423 1.00 0.42 C ATOM 494 CE1 PHE A 31 4.410 -4.243 -1.600 1.00 0.42 C ATOM 495 CE2 PHE A 31 4.141 -1.956 -2.232 1.00 0.50 C ATOM 496 CZ PHE A 31 4.563 -2.904 -1.320 1.00 0.51 C ATOM 0 H PHE A 31 5.643 -4.915 -5.536 1.00 0.29 H new ATOM 0 HA PHE A 31 3.133 -4.932 -6.950 1.00 0.28 H new ATOM 0 HB2 PHE A 31 2.061 -3.355 -5.324 1.00 0.28 H new ATOM 0 HB3 PHE A 31 2.152 -5.024 -4.799 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.717 -5.685 -3.007 1.00 0.33 H new ATOM 0 HD2 PHE A 31 3.251 -1.606 -4.135 1.00 0.42 H new ATOM 0 HE1 PHE A 31 4.738 -4.986 -0.888 1.00 0.42 H new ATOM 0 HE2 PHE A 31 4.256 -0.905 -2.011 1.00 0.50 H new ATOM 0 HZ PHE A 31 5.013 -2.595 -0.388 1.00 0.51 H new ATOM 506 N SER A 32 3.489 -2.405 -7.446 1.00 0.25 N ATOM 507 CA SER A 32 3.901 -1.095 -7.917 1.00 0.23 C ATOM 508 C SER A 32 3.250 -0.053 -7.033 1.00 0.23 C ATOM 509 O SER A 32 2.270 -0.352 -6.366 1.00 0.29 O ATOM 510 CB SER A 32 3.508 -0.895 -9.377 1.00 0.25 C ATOM 511 OG SER A 32 3.954 0.355 -9.874 1.00 0.53 O ATOM 0 H SER A 32 2.543 -2.674 -7.717 1.00 0.25 H new ATOM 0 HA SER A 32 4.986 -1.003 -7.862 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.930 -1.698 -9.981 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.424 -0.959 -9.474 1.00 0.25 H new ATOM 0 HG SER A 32 3.686 0.448 -10.812 1.00 0.53 H new ATOM 517 N ILE A 33 3.770 1.156 -7.022 1.00 0.23 N ATOM 518 CA ILE A 33 3.386 2.119 -6.003 1.00 0.25 C ATOM 519 C ILE A 33 3.733 3.543 -6.406 1.00 0.25 C ATOM 520 O ILE A 33 4.774 3.784 -7.016 1.00 0.32 O ATOM 521 CB ILE A 33 4.118 1.784 -4.679 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.163 2.994 -3.730 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.518 1.276 -4.981 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.253 2.915 -2.673 1.00 0.37 C ATOM 0 H ILE A 33 4.453 1.496 -7.698 1.00 0.23 H new ATOM 0 HA ILE A 33 2.305 2.054 -5.878 1.00 0.25 H new ATOM 0 HB ILE A 33 3.558 1.001 -4.168 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.309 3.899 -4.320 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.197 3.089 -3.234 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.029 1.042 -4.047 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.455 0.378 -5.595 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.076 2.044 -5.517 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.217 3.806 -2.046 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.098 2.030 -2.056 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.227 2.853 -3.159 1.00 0.37 H new ATOM 536 N GLY A 34 2.855 4.476 -6.072 1.00 0.26 N ATOM 537 CA GLY A 34 3.260 5.855 -5.973 1.00 0.43 C ATOM 538 C GLY A 34 2.515 6.556 -4.864 1.00 0.30 C ATOM 539 O GLY A 34 1.291 6.597 -4.845 1.00 0.72 O ATOM 0 H GLY A 34 1.871 4.300 -5.869 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.333 5.911 -5.788 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.073 6.362 -6.920 1.00 0.43 H new ATOM 543 N GLY A 35 3.263 7.032 -3.899 1.00 0.77 N ATOM 544 CA GLY A 35 2.719 7.862 -2.847 1.00 0.93 C ATOM 545 C GLY A 35 3.657 8.972 -2.521 1.00 0.73 C ATOM 546 O GLY A 35 4.758 8.694 -2.093 1.00 1.42 O ATOM 0 H GLY A 35 4.265 6.857 -3.819 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.757 8.270 -3.158 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.537 7.259 -1.957 1.00 0.93 H new ATOM 550 N GLY A 36 3.277 10.204 -2.693 1.00 0.40 N ATOM 551 CA GLY A 36 4.263 11.236 -2.555 1.00 0.39 C ATOM 552 C GLY A 36 3.691 12.602 -2.203 1.00 0.35 C ATOM 553 O GLY A 36 2.942 13.164 -3.000 1.00 0.48 O ATOM 0 H GLY A 36 2.331 10.512 -2.920 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.974 10.942 -1.783 1.00 0.39 H new ATOM 0 HA3 GLY A 36 4.821 11.317 -3.488 1.00 0.39 H new ATOM 557 N ILE A 37 4.034 13.156 -1.041 1.00 0.37 N ATOM 558 CA ILE A 37 4.159 14.614 -0.955 1.00 0.41 C ATOM 559 C ILE A 37 5.262 14.963 -1.919 1.00 0.38 C ATOM 560 O ILE A 37 5.340 16.051 -2.470 1.00 0.46 O ATOM 561 CB ILE A 37 4.557 15.152 0.440 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.635 14.262 1.065 1.00 0.47 C ATOM 563 CG2 ILE A 37 3.347 15.297 1.347 1.00 0.52 C ATOM 564 CD1 ILE A 37 6.140 14.756 2.403 1.00 0.49 C ATOM 0 H ILE A 37 4.224 12.645 -0.179 1.00 0.37 H new ATOM 0 HA ILE A 37 3.188 15.060 -1.173 1.00 0.41 H new ATOM 0 HB ILE A 37 4.976 16.151 0.316 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.235 13.256 1.188 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.476 14.188 0.375 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.664 15.677 2.318 1.00 0.52 H new ATOM 0 HG22 ILE A 37 2.638 15.993 0.899 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.870 14.325 1.476 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.901 14.072 2.780 1.00 0.49 H new ATOM 0 HD12 ILE A 37 6.572 15.750 2.284 1.00 0.49 H new ATOM 0 HD13 ILE A 37 5.312 14.803 3.110 1.00 0.49 H new ATOM 576 N ASP A 38 6.114 13.958 -2.087 1.00 0.35 N ATOM 577 CA ASP A 38 7.142 13.936 -3.089 1.00 0.40 C ATOM 578 C ASP A 38 6.519 14.158 -4.470 1.00 0.56 C ATOM 579 O ASP A 38 6.987 14.977 -5.261 1.00 0.69 O ATOM 580 CB ASP A 38 7.828 12.575 -3.086 1.00 0.39 C ATOM 581 CG ASP A 38 8.862 12.415 -4.179 1.00 0.42 C ATOM 582 OD1 ASP A 38 8.471 12.152 -5.326 1.00 0.72 O ATOM 583 OD2 ASP A 38 10.062 12.583 -3.891 1.00 0.68 O ATOM 0 H ASP A 38 6.098 13.119 -1.508 1.00 0.35 H new ATOM 0 HA ASP A 38 7.864 14.723 -2.872 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.307 12.421 -2.119 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.073 11.797 -3.195 1.00 0.39 H new ATOM 588 N GLN A 39 5.436 13.403 -4.729 1.00 0.63 N ATOM 589 CA GLN A 39 4.796 13.361 -6.043 1.00 0.85 C ATOM 590 C GLN A 39 4.251 14.734 -6.442 1.00 0.93 C ATOM 591 O GLN A 39 4.418 15.170 -7.581 1.00 1.19 O ATOM 592 CB GLN A 39 3.683 12.297 -6.062 1.00 0.98 C ATOM 593 CG GLN A 39 4.173 10.894 -5.719 1.00 1.00 C ATOM 594 CD GLN A 39 5.206 10.363 -6.688 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.885 9.659 -7.642 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.457 10.707 -6.456 1.00 0.82 N ATOM 0 H GLN A 39 4.986 12.809 -4.032 1.00 0.63 H new ATOM 0 HA GLN A 39 5.551 13.084 -6.779 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.905 12.584 -5.354 1.00 0.98 H new ATOM 0 HB3 GLN A 39 3.224 12.281 -7.051 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.598 10.901 -4.715 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.321 10.215 -5.700 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.684 11.293 -5.653 1.00 0.82 H new ATOM 0 HE22 GLN A 39 7.198 10.387 -7.080 1.00 0.82 H new ATOM 815 N GLY A 54 -0.910 11.038 -0.322 1.00 0.78 N ATOM 816 CA GLY A 54 -0.544 9.960 0.567 1.00 0.65 C ATOM 817 C GLY A 54 0.290 8.935 -0.177 1.00 0.53 C ATOM 818 O GLY A 54 0.826 9.252 -1.247 1.00 0.57 O ATOM 0 HA2 GLY A 54 0.018 10.352 1.415 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -1.441 9.489 0.969 1.00 0.65 H new ATOM 822 N ILE A 55 0.420 7.705 0.329 1.00 0.48 N ATOM 823 CA ILE A 55 1.076 6.691 -0.476 1.00 0.40 C ATOM 824 C ILE A 55 0.028 5.705 -0.951 1.00 0.33 C ATOM 825 O ILE A 55 -0.972 5.540 -0.285 1.00 0.43 O ATOM 826 CB ILE A 55 2.252 6.007 0.278 1.00 0.46 C ATOM 827 CG1 ILE A 55 3.499 6.891 0.205 1.00 0.51 C ATOM 828 CG2 ILE A 55 2.586 4.648 -0.317 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.467 8.136 1.060 1.00 0.54 C ATOM 0 H ILE A 55 0.095 7.404 1.248 1.00 0.48 H new ATOM 0 HA ILE A 55 1.539 7.160 -1.344 1.00 0.40 H new ATOM 0 HB ILE A 55 1.940 5.868 1.313 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.363 6.294 0.496 1.00 0.51 H new ATOM 0 HG13 ILE A 55 3.652 7.188 -0.833 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.412 4.202 0.236 1.00 0.45 H new ATOM 0 HG22 ILE A 55 1.713 3.998 -0.253 1.00 0.45 H new ATOM 0 HG23 ILE A 55 2.872 4.769 -1.362 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.398 8.688 0.933 1.00 0.54 H new ATOM 0 HD12 ILE A 55 2.629 8.764 0.758 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.351 7.856 2.107 1.00 0.54 H new ATOM 841 N TYR A 56 0.175 5.147 -2.152 1.00 0.25 N ATOM 842 CA TYR A 56 -0.785 4.173 -2.633 1.00 0.23 C ATOM 843 C TYR A 56 -0.160 3.229 -3.633 1.00 0.18 C ATOM 844 O TYR A 56 0.699 3.603 -4.432 1.00 0.28 O ATOM 845 CB TYR A 56 -2.050 4.825 -3.214 1.00 0.36 C ATOM 846 CG TYR A 56 -1.833 6.171 -3.832 1.00 0.32 C ATOM 847 CD1 TYR A 56 -1.640 7.294 -3.052 1.00 0.67 C ATOM 848 CD2 TYR A 56 -1.820 6.300 -5.201 1.00 0.83 C ATOM 849 CE1 TYR A 56 -1.440 8.533 -3.634 1.00 0.90 C ATOM 850 CE2 TYR A 56 -1.622 7.523 -5.802 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.434 8.676 -4.935 1.00 1.01 C ATOM 852 OH TYR A 56 -1.229 9.867 -5.605 1.00 1.42 O ATOM 0 H TYR A 56 0.939 5.353 -2.796 1.00 0.25 H new ATOM 0 HA TYR A 56 -1.096 3.594 -1.763 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.473 4.159 -3.966 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.791 4.920 -2.420 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -1.645 7.204 -1.976 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -1.968 5.425 -5.817 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -1.286 9.397 -3.004 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -1.607 7.623 -6.877 1.00 1.14 H new ATOM 0 HH TYR A 56 -1.271 9.710 -6.571 1.00 1.42 H new ATOM 862 N VAL A 57 -0.594 1.992 -3.541 1.00 0.18 N ATOM 863 CA VAL A 57 -0.093 0.933 -4.365 1.00 0.17 C ATOM 864 C VAL A 57 -0.800 0.933 -5.706 1.00 0.16 C ATOM 865 O VAL A 57 -2.033 0.973 -5.777 1.00 0.22 O ATOM 866 CB VAL A 57 -0.232 -0.425 -3.641 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.670 -0.871 -3.479 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.577 -1.495 -4.325 1.00 0.58 C ATOM 0 H VAL A 57 -1.314 1.697 -2.881 1.00 0.18 H new ATOM 0 HA VAL A 57 0.968 1.096 -4.552 1.00 0.17 H new ATOM 0 HB VAL A 57 0.165 -0.270 -2.638 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.697 -1.831 -2.963 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.217 -0.130 -2.896 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -2.132 -0.973 -4.461 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.458 -2.438 -3.791 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.230 -1.613 -5.352 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.629 -1.210 -4.328 1.00 0.58 H new ATOM 878 N THR A 58 0.004 0.934 -6.753 1.00 0.17 N ATOM 879 CA THR A 58 -0.478 1.039 -8.111 1.00 0.24 C ATOM 880 C THR A 58 -0.644 -0.335 -8.744 1.00 0.38 C ATOM 881 O THR A 58 -1.345 -0.491 -9.736 1.00 1.11 O ATOM 882 CB THR A 58 0.501 1.883 -8.947 1.00 0.39 C ATOM 883 OG1 THR A 58 0.765 3.118 -8.269 1.00 0.83 O ATOM 884 CG2 THR A 58 -0.057 2.171 -10.331 1.00 0.69 C ATOM 0 H THR A 58 1.019 0.861 -6.680 1.00 0.17 H new ATOM 0 HA THR A 58 -1.454 1.524 -8.089 1.00 0.24 H new ATOM 0 HB THR A 58 1.424 1.316 -9.066 1.00 0.39 H new ATOM 0 HG1 THR A 58 1.390 3.655 -8.800 1.00 0.83 H new ATOM 0 HG21 THR A 58 0.659 2.769 -10.895 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.237 1.231 -10.854 1.00 0.69 H new ATOM 0 HG23 THR A 58 -0.994 2.720 -10.238 1.00 0.69 H new ATOM 892 N ARG A 59 0.009 -1.336 -8.178 1.00 0.31 N ATOM 893 CA ARG A 59 -0.130 -2.695 -8.694 1.00 0.26 C ATOM 894 C ARG A 59 0.044 -3.752 -7.625 1.00 0.26 C ATOM 895 O ARG A 59 -0.116 -3.493 -6.432 1.00 0.27 O ATOM 896 CB ARG A 59 0.860 -2.992 -9.820 1.00 0.26 C ATOM 897 CG ARG A 59 0.490 -2.359 -11.142 1.00 0.34 C ATOM 898 CD ARG A 59 0.957 -3.204 -12.311 1.00 0.45 C ATOM 899 NE ARG A 59 0.110 -4.388 -12.489 1.00 1.06 N ATOM 900 CZ ARG A 59 0.533 -5.544 -13.010 1.00 1.50 C ATOM 901 NH1 ARG A 59 1.802 -5.703 -13.346 1.00 1.52 N ATOM 902 NH2 ARG A 59 -0.322 -6.545 -13.180 1.00 2.27 N ATOM 0 H ARG A 59 0.631 -1.241 -7.375 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.149 -2.740 -9.078 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.848 -2.641 -9.524 1.00 0.26 H new ATOM 0 HB3 ARG A 59 0.932 -4.072 -9.952 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.591 -2.228 -11.195 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.935 -1.366 -11.209 1.00 0.34 H new ATOM 0 HD2 ARG A 59 0.944 -2.606 -13.222 1.00 0.45 H new ATOM 0 HD3 ARG A 59 1.989 -3.515 -12.148 1.00 0.45 H new ATOM 0 HE ARG A 59 -0.865 -4.325 -12.196 1.00 1.06 H new ATOM 0 HH11 ARG A 59 2.465 -4.941 -13.208 1.00 1.52 H new ATOM 0 HH12 ARG A 59 2.117 -6.588 -13.743 1.00 1.52 H new ATOM 0 HH21 ARG A 59 -1.300 -6.431 -12.913 1.00 2.27 H new ATOM 0 HH22 ARG A 59 -0.001 -7.428 -13.577 1.00 2.27 H new ATOM 916 N VAL A 60 0.231 -4.964 -8.128 1.00 0.26 N ATOM 917 CA VAL A 60 0.795 -6.097 -7.396 1.00 0.27 C ATOM 918 C VAL A 60 1.384 -7.056 -8.431 1.00 0.36 C ATOM 919 O VAL A 60 0.788 -7.259 -9.487 1.00 0.51 O ATOM 920 CB VAL A 60 -0.213 -6.892 -6.517 1.00 0.33 C ATOM 921 CG1 VAL A 60 0.506 -8.053 -5.844 1.00 0.83 C ATOM 922 CG2 VAL A 60 -0.869 -6.028 -5.453 1.00 0.75 C ATOM 0 H VAL A 60 -0.013 -5.197 -9.090 1.00 0.26 H new ATOM 0 HA VAL A 60 1.529 -5.686 -6.703 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.001 -7.255 -7.177 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.200 -8.610 -5.228 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.923 -8.713 -6.605 1.00 0.83 H new ATOM 0 HG13 VAL A 60 1.310 -7.668 -5.217 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.562 -6.633 -4.869 1.00 0.75 H new ATOM 0 HG22 VAL A 60 -0.103 -5.617 -4.795 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.413 -5.213 -5.931 1.00 0.75 H new ATOM 932 N SER A 61 2.550 -7.617 -8.155 1.00 0.45 N ATOM 933 CA SER A 61 3.153 -8.569 -9.066 1.00 0.56 C ATOM 934 C SER A 61 2.798 -9.987 -8.654 1.00 0.56 C ATOM 935 O SER A 61 3.077 -10.416 -7.530 1.00 0.64 O ATOM 936 CB SER A 61 4.669 -8.425 -9.099 1.00 0.72 C ATOM 937 OG SER A 61 5.058 -7.056 -9.159 1.00 1.65 O ATOM 0 H SER A 61 3.093 -7.430 -7.312 1.00 0.45 H new ATOM 0 HA SER A 61 2.761 -8.362 -10.062 1.00 0.56 H new ATOM 0 HB2 SER A 61 5.100 -8.889 -8.212 1.00 0.72 H new ATOM 0 HB3 SER A 61 5.068 -8.957 -9.963 1.00 0.72 H new ATOM 0 HG SER A 61 6.036 -6.994 -9.177 1.00 1.65 H new ATOM 943 N GLU A 62 2.171 -10.683 -9.577 1.00 0.68 N ATOM 944 CA GLU A 62 1.810 -12.077 -9.414 1.00 0.73 C ATOM 945 C GLU A 62 3.000 -12.925 -9.010 1.00 0.74 C ATOM 946 O GLU A 62 4.060 -12.882 -9.642 1.00 0.84 O ATOM 947 CB GLU A 62 1.263 -12.568 -10.736 1.00 0.86 C ATOM 948 CG GLU A 62 -0.153 -12.097 -11.007 1.00 1.45 C ATOM 949 CD GLU A 62 -0.548 -12.233 -12.463 1.00 1.62 C ATOM 950 OE1 GLU A 62 -0.986 -13.328 -12.863 1.00 1.75 O ATOM 951 OE2 GLU A 62 -0.409 -11.245 -13.215 1.00 1.85 O ATOM 0 H GLU A 62 1.893 -10.291 -10.477 1.00 0.68 H new ATOM 0 HA GLU A 62 1.068 -12.163 -8.620 1.00 0.73 H new ATOM 0 HB2 GLU A 62 1.913 -12.226 -11.541 1.00 0.86 H new ATOM 0 HB3 GLU A 62 1.286 -13.658 -10.749 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -0.846 -12.671 -10.392 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -0.248 -11.054 -10.705 1.00 1.45 H new ATOM 958 N GLY A 63 2.826 -13.675 -7.940 1.00 0.76 N ATOM 959 CA GLY A 63 3.840 -14.615 -7.529 1.00 0.86 C ATOM 960 C GLY A 63 4.851 -14.000 -6.594 1.00 0.80 C ATOM 961 O GLY A 63 5.754 -14.684 -6.106 1.00 0.92 O ATOM 0 H GLY A 63 1.997 -13.650 -7.346 1.00 0.76 H new ATOM 0 HA2 GLY A 63 3.366 -15.465 -7.038 1.00 0.86 H new ATOM 0 HA3 GLY A 63 4.352 -15.001 -8.410 1.00 0.86 H new ATOM 965 N GLY A 64 4.723 -12.699 -6.362 1.00 0.67 N ATOM 966 CA GLY A 64 5.554 -12.051 -5.376 1.00 0.66 C ATOM 967 C GLY A 64 4.990 -12.231 -3.997 1.00 0.63 C ATOM 968 O GLY A 64 4.309 -13.210 -3.726 1.00 0.99 O ATOM 0 H GLY A 64 4.061 -12.087 -6.839 1.00 0.67 H new ATOM 0 HA2 GLY A 64 6.562 -12.463 -5.417 1.00 0.66 H new ATOM 0 HA3 GLY A 64 5.634 -10.988 -5.604 1.00 0.66 H new ATOM 972 N PRO A 65 5.273 -11.312 -3.092 1.00 0.37 N ATOM 973 CA PRO A 65 4.820 -11.417 -1.724 1.00 0.27 C ATOM 974 C PRO A 65 3.520 -10.688 -1.419 1.00 0.23 C ATOM 975 O PRO A 65 2.713 -11.147 -0.611 1.00 0.29 O ATOM 976 CB PRO A 65 5.990 -10.799 -1.001 1.00 0.32 C ATOM 977 CG PRO A 65 6.456 -9.696 -1.895 1.00 0.43 C ATOM 978 CD PRO A 65 6.133 -10.133 -3.298 1.00 0.44 C ATOM 0 HA PRO A 65 4.570 -12.439 -1.440 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.694 -10.417 -0.024 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.780 -11.530 -0.831 1.00 0.32 H new ATOM 0 HG2 PRO A 65 5.954 -8.759 -1.653 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.526 -9.524 -1.777 1.00 0.43 H new ATOM 0 HD2 PRO A 65 5.618 -9.351 -3.855 1.00 0.44 H new ATOM 0 HD3 PRO A 65 7.033 -10.384 -3.859 1.00 0.44 H new ATOM 986 N ALA A 66 3.306 -9.584 -2.086 1.00 0.22 N ATOM 987 CA ALA A 66 2.165 -8.736 -1.815 1.00 0.24 C ATOM 988 C ALA A 66 0.855 -9.417 -2.179 1.00 0.29 C ATOM 989 O ALA A 66 -0.193 -9.122 -1.609 1.00 0.36 O ATOM 990 CB ALA A 66 2.335 -7.465 -2.586 1.00 0.27 C ATOM 0 H ALA A 66 3.914 -9.244 -2.831 1.00 0.22 H new ATOM 0 HA ALA A 66 2.119 -8.527 -0.746 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.485 -6.809 -2.397 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.253 -6.969 -2.272 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.390 -7.690 -3.651 1.00 0.27 H new ATOM 996 N GLU A 67 0.932 -10.349 -3.108 1.00 0.30 N ATOM 997 CA GLU A 67 -0.236 -11.076 -3.558 1.00 0.42 C ATOM 998 C GLU A 67 -0.660 -12.052 -2.469 1.00 0.39 C ATOM 999 O GLU A 67 -1.840 -12.341 -2.283 1.00 0.45 O ATOM 1000 CB GLU A 67 0.106 -11.806 -4.858 1.00 0.53 C ATOM 1001 CG GLU A 67 -1.022 -12.642 -5.433 1.00 0.77 C ATOM 1002 CD GLU A 67 -0.637 -13.279 -6.751 1.00 1.08 C ATOM 1003 OE1 GLU A 67 0.349 -14.039 -6.783 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -1.335 -13.036 -7.758 1.00 1.79 O ATOM 0 H GLU A 67 1.800 -10.622 -3.569 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.066 -10.396 -3.752 1.00 0.42 H new ATOM 0 HB2 GLU A 67 0.410 -11.070 -5.602 1.00 0.53 H new ATOM 0 HB3 GLU A 67 0.965 -12.453 -4.680 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -1.297 -13.420 -4.721 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -1.902 -12.015 -5.576 1.00 0.77 H new ATOM 1011 N ILE A 68 0.331 -12.516 -1.729 1.00 0.31 N ATOM 1012 CA ILE A 68 0.122 -13.477 -0.654 1.00 0.31 C ATOM 1013 C ILE A 68 -0.428 -12.786 0.589 1.00 0.28 C ATOM 1014 O ILE A 68 -1.338 -13.295 1.244 1.00 0.34 O ATOM 1015 CB ILE A 68 1.443 -14.214 -0.307 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.837 -15.197 -1.419 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.336 -14.950 1.020 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.939 -14.579 -2.789 1.00 0.51 C ATOM 0 H ILE A 68 1.305 -12.239 -1.854 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.607 -14.210 -1.000 1.00 0.31 H new ATOM 0 HB ILE A 68 2.220 -13.455 -0.219 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.796 -15.648 -1.165 1.00 0.39 H new ATOM 0 HG13 ILE A 68 1.104 -16.003 -1.451 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.278 -15.455 1.233 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.119 -14.237 1.815 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.534 -15.686 0.964 1.00 0.32 H new ATOM 0 HD11 ILE A 68 2.222 -15.343 -3.513 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.975 -14.153 -3.069 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.694 -13.793 -2.778 1.00 0.51 H new ATOM 1030 N ALA A 69 0.117 -11.613 0.901 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.341 -10.846 2.056 1.00 0.24 C ATOM 1032 C ALA A 69 -1.709 -10.235 1.789 1.00 0.31 C ATOM 1033 O ALA A 69 -2.429 -9.881 2.723 1.00 0.41 O ATOM 1034 CB ALA A 69 0.657 -9.758 2.424 1.00 0.24 C ATOM 0 H ALA A 69 0.872 -11.175 0.374 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.423 -11.533 2.898 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.289 -9.204 3.287 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.617 -10.212 2.667 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.780 -9.077 1.582 1.00 0.24 H new ATOM 1040 N GLY A 70 -2.062 -10.121 0.514 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.371 -9.607 0.161 1.00 0.41 C ATOM 1042 C GLY A 70 -3.379 -8.116 -0.117 1.00 0.36 C ATOM 1043 O GLY A 70 -4.010 -7.348 0.611 1.00 0.45 O ATOM 0 H GLY A 70 -1.469 -10.374 -0.277 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.735 -10.135 -0.720 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -4.068 -9.822 0.971 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.681 -7.700 -1.163 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.699 -6.305 -1.587 1.00 0.30 C ATOM 1049 C LEU A 71 -3.467 -6.191 -2.907 1.00 0.24 C ATOM 1050 O LEU A 71 -3.466 -7.131 -3.704 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.268 -5.785 -1.716 1.00 0.38 C ATOM 1052 CG LEU A 71 -1.125 -4.268 -1.808 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.840 -3.589 -0.649 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.342 -3.887 -1.806 1.00 0.87 C ATOM 0 H LEU A 71 -2.094 -8.307 -1.735 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.206 -5.690 -0.843 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.694 -6.135 -0.858 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.817 -6.229 -2.603 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.582 -3.933 -2.739 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.726 -2.508 -0.734 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.899 -3.845 -0.675 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.408 -3.927 0.293 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.437 -2.803 -1.872 1.00 0.87 H new ATOM 0 HD22 LEU A 71 0.807 -4.236 -0.884 1.00 0.87 H new ATOM 0 HD23 LEU A 71 0.839 -4.347 -2.660 1.00 0.87 H new ATOM 1066 N GLN A 72 -4.126 -5.061 -3.146 1.00 0.24 N ATOM 1067 CA GLN A 72 -5.139 -5.005 -4.191 1.00 0.33 C ATOM 1068 C GLN A 72 -4.810 -4.082 -5.360 1.00 0.25 C ATOM 1069 O GLN A 72 -5.731 -3.643 -6.052 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.455 -4.587 -3.584 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.910 -5.517 -2.492 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.861 -4.831 -1.556 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -7.299 -4.134 -0.603 1.00 1.21 O flip ATOM 1074 NE2 GLN A 72 -9.082 -4.886 -1.712 1.00 0.64 N flip ATOM 0 H GLN A 72 -3.980 -4.187 -2.640 1.00 0.24 H new ATOM 0 HA GLN A 72 -5.185 -6.009 -4.612 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.361 -3.578 -3.181 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -7.215 -4.549 -4.364 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -7.394 -6.389 -2.932 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -6.046 -5.879 -1.935 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -9.475 -5.444 -2.471 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -9.700 -4.374 -1.083 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.528 -3.793 -5.611 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.155 -3.119 -6.848 1.00 0.26 C ATOM 1085 C ILE A 73 -3.635 -1.645 -6.888 1.00 0.23 C ATOM 1086 O ILE A 73 -3.387 -0.933 -7.861 1.00 0.31 O ATOM 1087 CB ILE A 73 -3.752 -3.924 -8.046 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.273 -5.378 -8.000 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -3.401 -3.313 -9.380 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -3.847 -6.251 -9.095 1.00 0.77 C ATOM 0 H ILE A 73 -2.751 -4.011 -4.987 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.067 -3.088 -6.912 1.00 0.26 H new ATOM 0 HB ILE A 73 -4.837 -3.890 -7.944 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -2.185 -5.394 -8.070 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -3.537 -5.806 -7.033 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -3.839 -3.910 -10.180 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -3.792 -2.297 -9.429 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.317 -3.291 -9.496 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.459 -7.265 -8.993 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -4.934 -6.268 -9.014 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -3.562 -5.850 -10.067 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.257 -1.164 -5.811 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.949 0.120 -5.873 1.00 0.25 C ATOM 1104 C GLY A 74 -5.376 0.613 -4.504 1.00 0.29 C ATOM 1105 O GLY A 74 -6.500 1.088 -4.315 1.00 0.37 O ATOM 0 H GLY A 74 -4.296 -1.632 -4.906 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -4.296 0.860 -6.335 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.827 0.026 -6.512 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.454 0.542 -3.569 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.738 0.820 -2.157 1.00 0.34 C ATOM 1111 C ASP A 75 -3.867 1.959 -1.679 1.00 0.30 C ATOM 1112 O ASP A 75 -2.785 2.150 -2.196 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.490 -0.401 -1.270 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.474 -1.527 -1.503 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.693 -1.324 -1.285 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -5.021 -2.627 -1.877 1.00 0.89 O ATOM 0 H ASP A 75 -3.483 0.291 -3.755 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.793 1.085 -2.082 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.480 -0.770 -1.447 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.539 -0.097 -0.225 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.323 2.691 -0.687 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.600 3.839 -0.189 1.00 0.28 C ATOM 1123 C LYS A 76 -2.901 3.455 1.103 1.00 0.28 C ATOM 1124 O LYS A 76 -3.524 2.998 2.036 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.553 5.026 0.021 1.00 0.34 C ATOM 1126 CG LYS A 76 -5.210 5.537 -1.262 1.00 0.74 C ATOM 1127 CD LYS A 76 -6.211 4.536 -1.820 1.00 1.17 C ATOM 1128 CE LYS A 76 -6.694 4.913 -3.210 1.00 1.55 C ATOM 1129 NZ LYS A 76 -7.554 3.844 -3.789 1.00 2.20 N ATOM 0 H LYS A 76 -5.203 2.508 -0.204 1.00 0.30 H new ATOM 0 HA LYS A 76 -2.852 4.150 -0.918 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.333 4.731 0.723 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.000 5.844 0.484 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -5.714 6.482 -1.061 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -4.442 5.738 -2.009 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -5.752 3.548 -1.853 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -7.066 4.468 -1.147 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -7.253 5.848 -3.163 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -5.837 5.087 -3.861 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -8.071 4.220 -4.609 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -6.960 3.046 -4.090 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -8.233 3.518 -3.072 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.607 3.616 1.132 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.800 3.147 2.227 1.00 0.27 C ATOM 1145 C ILE A 77 -0.614 4.210 3.300 1.00 0.25 C ATOM 1146 O ILE A 77 -0.331 5.404 2.996 1.00 0.29 O ATOM 1147 CB ILE A 77 0.563 2.671 1.717 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.373 1.466 0.806 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.535 2.358 2.843 1.00 0.38 C ATOM 1150 CD1 ILE A 77 0.360 1.833 -0.653 1.00 0.49 C ATOM 0 H ILE A 77 -1.078 4.079 0.393 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.329 2.310 2.683 1.00 0.27 H new ATOM 0 HB ILE A 77 1.010 3.488 1.151 1.00 0.31 H new ATOM 0 HG12 ILE A 77 1.173 0.749 0.988 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.564 0.969 1.059 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.484 2.025 2.422 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.698 3.254 3.443 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.121 1.570 3.472 1.00 0.38 H new ATOM 0 HD11 ILE A 77 0.221 0.934 -1.253 1.00 0.49 H new ATOM 0 HD12 ILE A 77 -0.457 2.528 -0.846 1.00 0.49 H new ATOM 0 HD13 ILE A 77 1.307 2.304 -0.918 1.00 0.49 H new ATOM 1162 N MET A 78 -0.801 3.725 4.542 1.00 0.22 N ATOM 1163 CA MET A 78 -0.681 4.495 5.767 1.00 0.24 C ATOM 1164 C MET A 78 0.718 4.422 6.365 1.00 0.24 C ATOM 1165 O MET A 78 1.131 5.320 7.099 1.00 0.30 O ATOM 1166 CB MET A 78 -1.679 3.981 6.831 1.00 0.33 C ATOM 1167 CG MET A 78 -3.113 3.747 6.351 1.00 0.32 C ATOM 1168 SD MET A 78 -4.066 5.262 6.155 1.00 0.75 S ATOM 1169 CE MET A 78 -3.116 6.042 4.867 1.00 1.06 C ATOM 0 H MET A 78 -1.048 2.750 4.712 1.00 0.22 H new ATOM 0 HA MET A 78 -0.897 5.529 5.498 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.296 3.045 7.237 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.705 4.698 7.652 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.086 3.219 5.398 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.623 3.097 7.061 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.708 6.833 4.407 1.00 1.06 H new ATOM 0 HE2 MET A 78 -2.208 6.469 5.292 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.850 5.302 4.112 1.00 1.06 H new ATOM 1179 N GLN A 79 1.438 3.353 6.074 1.00 0.23 N ATOM 1180 CA GLN A 79 2.722 3.114 6.731 1.00 0.23 C ATOM 1181 C GLN A 79 3.491 1.957 6.096 1.00 0.24 C ATOM 1182 O GLN A 79 2.902 1.078 5.474 1.00 0.24 O ATOM 1183 CB GLN A 79 2.495 2.860 8.234 1.00 0.26 C ATOM 1184 CG GLN A 79 3.260 1.673 8.805 1.00 0.54 C ATOM 1185 CD GLN A 79 3.252 1.629 10.322 1.00 0.50 C ATOM 1186 OE1 GLN A 79 3.277 2.791 10.959 1.00 0.82 O flip ATOM 1187 NE2 GLN A 79 3.258 0.553 10.920 1.00 0.43 N flip ATOM 0 H GLN A 79 1.165 2.641 5.396 1.00 0.23 H new ATOM 0 HA GLN A 79 3.335 4.006 6.602 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.778 3.756 8.786 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.430 2.704 8.405 1.00 0.26 H new ATOM 0 HG2 GLN A 79 2.827 0.750 8.419 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.291 1.712 8.455 1.00 0.54 H new ATOM 0 HE21 GLN A 79 3.238 -0.322 10.396 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.283 0.536 11.940 1.00 0.43 H new ATOM 1196 N VAL A 80 4.811 1.970 6.263 1.00 0.28 N ATOM 1197 CA VAL A 80 5.651 0.871 5.813 1.00 0.35 C ATOM 1198 C VAL A 80 6.794 0.636 6.803 1.00 0.31 C ATOM 1199 O VAL A 80 7.493 1.566 7.196 1.00 0.31 O ATOM 1200 CB VAL A 80 6.224 1.109 4.393 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.346 2.141 4.400 1.00 0.85 C ATOM 1202 CG2 VAL A 80 6.698 -0.197 3.782 1.00 1.31 C ATOM 0 H VAL A 80 5.320 2.733 6.708 1.00 0.28 H new ATOM 0 HA VAL A 80 5.018 -0.015 5.766 1.00 0.35 H new ATOM 0 HB VAL A 80 5.418 1.509 3.778 1.00 0.52 H new ATOM 0 HG11 VAL A 80 7.720 2.279 3.386 1.00 0.85 H new ATOM 0 HG12 VAL A 80 6.965 3.090 4.778 1.00 0.85 H new ATOM 0 HG13 VAL A 80 8.156 1.794 5.041 1.00 0.85 H new ATOM 0 HG21 VAL A 80 7.097 -0.009 2.785 1.00 1.31 H new ATOM 0 HG22 VAL A 80 7.477 -0.630 4.409 1.00 1.31 H new ATOM 0 HG23 VAL A 80 5.861 -0.891 3.713 1.00 1.31 H new ATOM 1212 N ASN A 81 6.932 -0.610 7.245 1.00 0.34 N ATOM 1213 CA ASN A 81 8.029 -1.024 8.133 1.00 0.38 C ATOM 1214 C ASN A 81 8.027 -0.243 9.443 1.00 0.34 C ATOM 1215 O ASN A 81 9.039 -0.191 10.137 1.00 0.40 O ATOM 1216 CB ASN A 81 9.395 -0.855 7.448 1.00 0.46 C ATOM 1217 CG ASN A 81 9.664 -1.876 6.353 1.00 0.70 C ATOM 1218 OD1 ASN A 81 8.641 -2.240 5.593 1.00 1.50 O flip ATOM 1219 ND2 ASN A 81 10.797 -2.316 6.179 1.00 1.18 N flip ATOM 0 H ASN A 81 6.291 -1.365 7.002 1.00 0.34 H new ATOM 0 HA ASN A 81 7.864 -2.078 8.355 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.455 0.146 7.021 1.00 0.46 H new ATOM 0 HB3 ASN A 81 10.180 -0.928 8.201 1.00 0.46 H new ATOM 0 HD21 ASN A 81 11.560 -2.013 6.784 1.00 1.18 H new ATOM 0 HD22 ASN A 81 10.975 -2.985 5.429 1.00 1.18 H new ATOM 1226 N GLY A 82 6.893 0.354 9.786 1.00 0.32 N ATOM 1227 CA GLY A 82 6.829 1.142 10.998 1.00 0.34 C ATOM 1228 C GLY A 82 6.951 2.628 10.724 1.00 0.31 C ATOM 1229 O GLY A 82 6.818 3.443 11.639 1.00 0.38 O ATOM 0 H GLY A 82 6.025 0.307 9.252 1.00 0.32 H new ATOM 0 HA2 GLY A 82 5.886 0.945 11.508 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.627 0.832 11.673 1.00 0.34 H new ATOM 1233 N TRP A 83 7.222 2.987 9.473 1.00 0.28 N ATOM 1234 CA TRP A 83 7.227 4.386 9.077 1.00 0.28 C ATOM 1235 C TRP A 83 5.833 4.833 8.778 1.00 0.29 C ATOM 1236 O TRP A 83 5.148 4.265 7.932 1.00 0.48 O ATOM 1237 CB TRP A 83 8.092 4.646 7.853 1.00 0.30 C ATOM 1238 CG TRP A 83 9.542 4.572 8.130 1.00 0.33 C ATOM 1239 CD1 TRP A 83 10.279 3.444 8.203 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.429 5.664 8.378 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.585 3.756 8.454 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.703 5.111 8.580 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.278 7.051 8.442 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.820 5.890 8.842 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.389 7.828 8.711 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.647 7.242 8.906 1.00 0.76 C ATOM 0 H TRP A 83 7.439 2.331 8.722 1.00 0.28 H new ATOM 0 HA TRP A 83 7.646 4.947 9.912 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.840 3.921 7.079 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.856 5.633 7.454 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.893 2.443 8.081 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.349 3.085 8.534 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.312 7.507 8.284 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.792 5.443 8.990 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.286 8.901 8.772 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.498 7.874 9.111 1.00 0.76 H new ATOM 1257 N ASP A 84 5.441 5.864 9.458 1.00 0.39 N ATOM 1258 CA ASP A 84 4.103 6.387 9.334 1.00 0.41 C ATOM 1259 C ASP A 84 4.031 7.361 8.179 1.00 0.40 C ATOM 1260 O ASP A 84 4.408 8.529 8.299 1.00 0.59 O ATOM 1261 CB ASP A 84 3.709 7.065 10.632 1.00 0.62 C ATOM 1262 CG ASP A 84 2.213 7.259 10.757 1.00 1.16 C ATOM 1263 OD1 ASP A 84 1.512 6.301 11.131 1.00 1.89 O ATOM 1264 OD2 ASP A 84 1.732 8.376 10.462 1.00 1.28 O ATOM 0 H ASP A 84 6.033 6.371 10.116 1.00 0.39 H new ATOM 0 HA ASP A 84 3.408 5.571 9.134 1.00 0.41 H new ATOM 0 HB2 ASP A 84 4.066 6.469 11.472 1.00 0.62 H new ATOM 0 HB3 ASP A 84 4.204 8.034 10.696 1.00 0.62 H new ATOM 1269 N MET A 85 3.590 6.860 7.044 1.00 0.36 N ATOM 1270 CA MET A 85 3.493 7.673 5.852 1.00 0.46 C ATOM 1271 C MET A 85 2.053 7.956 5.489 1.00 0.36 C ATOM 1272 O MET A 85 1.347 7.126 4.924 1.00 0.56 O ATOM 1273 CB MET A 85 4.242 7.033 4.690 1.00 0.76 C ATOM 1274 CG MET A 85 4.128 5.527 4.627 1.00 0.49 C ATOM 1275 SD MET A 85 5.500 4.799 3.727 1.00 1.01 S ATOM 1276 CE MET A 85 6.888 5.455 4.661 1.00 0.44 C ATOM 0 H MET A 85 3.293 5.892 6.923 1.00 0.36 H new ATOM 0 HA MET A 85 3.967 8.631 6.067 1.00 0.46 H new ATOM 0 HB2 MET A 85 3.867 7.453 3.757 1.00 0.76 H new ATOM 0 HB3 MET A 85 5.296 7.303 4.760 1.00 0.76 H new ATOM 0 HG2 MET A 85 4.099 5.121 5.638 1.00 0.49 H new ATOM 0 HG3 MET A 85 3.189 5.252 4.146 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.387 6.228 4.076 1.00 0.44 H new ATOM 0 HE2 MET A 85 6.527 5.884 5.596 1.00 0.44 H new ATOM 0 HE3 MET A 85 7.593 4.652 4.878 1.00 0.44 H new ATOM 1286 N THR A 86 1.644 9.154 5.812 1.00 0.31 N ATOM 1287 CA THR A 86 0.322 9.641 5.483 1.00 0.35 C ATOM 1288 C THR A 86 0.416 10.556 4.287 1.00 0.46 C ATOM 1289 O THR A 86 -0.482 10.632 3.458 1.00 1.05 O ATOM 1290 CB THR A 86 -0.267 10.424 6.664 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.752 11.252 7.251 1.00 0.47 O ATOM 1292 CG2 THR A 86 -0.825 9.490 7.714 1.00 0.37 C ATOM 0 H THR A 86 2.221 9.828 6.315 1.00 0.31 H new ATOM 0 HA THR A 86 -0.323 8.791 5.260 1.00 0.35 H new ATOM 0 HB THR A 86 -1.081 11.045 6.289 1.00 0.36 H new ATOM 0 HG1 THR A 86 0.373 11.752 8.004 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.235 10.073 8.538 1.00 0.37 H new ATOM 0 HG22 THR A 86 -1.613 8.878 7.275 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.030 8.845 8.087 1.00 0.37 H new ATOM 1300 N MET A 87 1.532 11.260 4.239 1.00 0.56 N ATOM 1301 CA MET A 87 1.796 12.246 3.212 1.00 0.65 C ATOM 1302 C MET A 87 3.166 11.991 2.580 1.00 0.76 C ATOM 1303 O MET A 87 3.448 12.445 1.491 1.00 1.49 O ATOM 1304 CB MET A 87 1.774 13.638 3.854 1.00 0.84 C ATOM 1305 CG MET A 87 1.053 13.687 5.203 1.00 0.97 C ATOM 1306 SD MET A 87 1.233 15.279 6.029 1.00 1.36 S ATOM 1307 CE MET A 87 0.420 14.949 7.592 1.00 1.62 C ATOM 0 H MET A 87 2.286 11.161 4.919 1.00 0.56 H new ATOM 0 HA MET A 87 1.036 12.180 2.434 1.00 0.65 H new ATOM 0 HB2 MET A 87 2.800 13.982 3.989 1.00 0.84 H new ATOM 0 HB3 MET A 87 1.291 14.336 3.169 1.00 0.84 H new ATOM 0 HG2 MET A 87 -0.006 13.478 5.052 1.00 0.97 H new ATOM 0 HG3 MET A 87 1.444 12.901 5.849 1.00 0.97 H new ATOM 0 HE1 MET A 87 0.451 15.844 8.214 1.00 1.62 H new ATOM 0 HE2 MET A 87 -0.618 14.669 7.410 1.00 1.62 H new ATOM 0 HE3 MET A 87 0.932 14.134 8.103 1.00 1.62 H new ATOM 1317 N VAL A 88 3.961 11.188 3.275 1.00 0.40 N ATOM 1318 CA VAL A 88 5.393 10.980 3.032 1.00 0.45 C ATOM 1319 C VAL A 88 5.804 10.885 1.536 1.00 0.36 C ATOM 1320 O VAL A 88 5.017 10.492 0.688 1.00 0.39 O ATOM 1321 CB VAL A 88 5.757 9.707 3.814 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.849 8.916 3.162 1.00 0.72 C ATOM 1323 CG2 VAL A 88 6.136 10.067 5.241 1.00 1.09 C ATOM 0 H VAL A 88 3.615 10.636 4.060 1.00 0.40 H new ATOM 0 HA VAL A 88 5.949 11.855 3.370 1.00 0.45 H new ATOM 0 HB VAL A 88 4.874 9.068 3.820 1.00 0.60 H new ATOM 0 HG11 VAL A 88 7.062 8.030 3.759 1.00 0.72 H new ATOM 0 HG12 VAL A 88 6.533 8.614 2.164 1.00 0.72 H new ATOM 0 HG13 VAL A 88 7.748 9.529 3.088 1.00 0.72 H new ATOM 0 HG21 VAL A 88 6.393 9.160 5.789 1.00 1.09 H new ATOM 0 HG22 VAL A 88 6.993 10.740 5.231 1.00 1.09 H new ATOM 0 HG23 VAL A 88 5.294 10.559 5.728 1.00 1.09 H new ATOM 1333 N THR A 89 7.045 11.297 1.215 1.00 0.31 N ATOM 1334 CA THR A 89 7.534 11.263 -0.146 1.00 0.28 C ATOM 1335 C THR A 89 7.534 9.841 -0.710 1.00 0.26 C ATOM 1336 O THR A 89 7.686 8.866 0.026 1.00 0.26 O ATOM 1337 CB THR A 89 8.961 11.865 -0.244 1.00 0.31 C ATOM 1338 OG1 THR A 89 9.898 11.048 0.456 1.00 0.32 O ATOM 1339 CG2 THR A 89 9.004 13.271 0.334 1.00 0.35 C ATOM 0 H THR A 89 7.717 11.656 1.893 1.00 0.31 H new ATOM 0 HA THR A 89 6.853 11.870 -0.742 1.00 0.28 H new ATOM 0 HB THR A 89 9.226 11.906 -1.300 1.00 0.31 H new ATOM 0 HG1 THR A 89 10.793 11.441 0.383 1.00 0.32 H new ATOM 0 HG21 THR A 89 10.016 13.667 0.252 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.317 13.912 -0.218 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.710 13.242 1.383 1.00 0.35 H new ATOM 1347 N HIS A 90 7.363 9.736 -2.022 1.00 0.26 N ATOM 1348 CA HIS A 90 7.339 8.442 -2.696 1.00 0.25 C ATOM 1349 C HIS A 90 8.648 7.746 -2.507 1.00 0.27 C ATOM 1350 O HIS A 90 8.709 6.531 -2.405 1.00 0.30 O ATOM 1351 CB HIS A 90 7.069 8.617 -4.186 1.00 0.25 C ATOM 1352 CG HIS A 90 6.908 7.332 -4.949 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.099 7.249 -6.309 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.562 6.081 -4.545 1.00 0.27 C ATOM 1355 CE1 HIS A 90 6.876 6.012 -6.708 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.552 5.284 -5.658 1.00 0.32 N ATOM 0 H HIS A 90 7.238 10.535 -2.644 1.00 0.26 H new ATOM 0 HA HIS A 90 6.539 7.843 -2.261 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.165 9.213 -4.310 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.889 9.185 -4.626 1.00 0.25 H new ATOM 0 HD2 HIS A 90 6.337 5.773 -3.535 1.00 0.27 H new ATOM 0 HE1 HIS A 90 6.947 5.655 -7.725 1.00 0.35 H new ATOM 0 HE2 HIS A 90 6.330 4.289 -5.672 1.00 0.32 H new ATOM 1365 N ASP A 91 9.683 8.537 -2.457 1.00 0.31 N ATOM 1366 CA ASP A 91 11.024 7.991 -2.275 1.00 0.34 C ATOM 1367 C ASP A 91 11.178 7.498 -0.868 1.00 0.32 C ATOM 1368 O ASP A 91 11.856 6.509 -0.629 1.00 0.33 O ATOM 1369 CB ASP A 91 12.125 9.008 -2.556 1.00 0.41 C ATOM 1370 CG ASP A 91 12.800 8.798 -3.896 1.00 1.03 C ATOM 1371 OD1 ASP A 91 12.144 8.970 -4.941 1.00 1.45 O ATOM 1372 OD2 ASP A 91 14.002 8.446 -3.907 1.00 1.67 O ATOM 0 H ASP A 91 9.639 9.553 -2.537 1.00 0.31 H new ATOM 0 HA ASP A 91 11.131 7.178 -2.994 1.00 0.34 H new ATOM 0 HB2 ASP A 91 11.701 10.012 -2.523 1.00 0.41 H new ATOM 0 HB3 ASP A 91 12.874 8.952 -1.766 1.00 0.41 H new ATOM 1377 N GLN A 92 10.534 8.177 0.068 1.00 0.31 N ATOM 1378 CA GLN A 92 10.631 7.796 1.443 1.00 0.32 C ATOM 1379 C GLN A 92 9.921 6.474 1.623 1.00 0.29 C ATOM 1380 O GLN A 92 10.452 5.537 2.206 1.00 0.31 O ATOM 1381 CB GLN A 92 9.993 8.852 2.318 1.00 0.36 C ATOM 1382 CG GLN A 92 9.938 8.456 3.767 1.00 0.42 C ATOM 1383 CD GLN A 92 11.199 8.799 4.524 1.00 0.57 C ATOM 1384 OE1 GLN A 92 12.159 8.026 4.561 1.00 0.77 O ATOM 1385 NE2 GLN A 92 11.180 9.946 5.167 1.00 0.62 N ATOM 0 H GLN A 92 9.944 8.990 -0.111 1.00 0.31 H new ATOM 0 HA GLN A 92 11.678 7.698 1.731 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.552 9.783 2.222 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.982 9.049 1.962 1.00 0.36 H new ATOM 0 HG2 GLN A 92 9.091 8.952 4.241 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.760 7.383 3.838 1.00 0.42 H new ATOM 0 HE21 GLN A 92 10.362 10.552 5.105 1.00 0.62 H new ATOM 0 HE22 GLN A 92 11.984 10.230 5.727 1.00 0.62 H new ATOM 1394 N ALA A 93 8.727 6.400 1.055 1.00 0.27 N ATOM 1395 CA ALA A 93 7.914 5.211 1.149 1.00 0.28 C ATOM 1396 C ALA A 93 8.575 4.074 0.395 1.00 0.28 C ATOM 1397 O ALA A 93 8.564 2.936 0.838 1.00 0.33 O ATOM 1398 CB ALA A 93 6.525 5.484 0.598 1.00 0.33 C ATOM 0 H ALA A 93 8.303 7.159 0.522 1.00 0.27 H new ATOM 0 HA ALA A 93 7.818 4.924 2.196 1.00 0.28 H new ATOM 0 HB1 ALA A 93 5.920 4.581 0.673 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.057 6.284 1.172 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.601 5.784 -0.447 1.00 0.33 H new ATOM 1404 N ARG A 94 9.180 4.411 -0.736 1.00 0.27 N ATOM 1405 CA ARG A 94 9.824 3.425 -1.589 1.00 0.30 C ATOM 1406 C ARG A 94 11.101 2.899 -0.941 1.00 0.33 C ATOM 1407 O ARG A 94 11.361 1.696 -0.945 1.00 0.37 O ATOM 1408 CB ARG A 94 10.159 4.048 -2.942 1.00 0.34 C ATOM 1409 CG ARG A 94 10.346 3.035 -4.054 1.00 0.43 C ATOM 1410 CD ARG A 94 10.958 3.667 -5.292 1.00 0.57 C ATOM 1411 NE ARG A 94 12.289 4.198 -5.019 1.00 1.04 N ATOM 1412 CZ ARG A 94 12.621 5.479 -5.139 1.00 1.41 C ATOM 1413 NH1 ARG A 94 11.755 6.354 -5.641 1.00 1.57 N ATOM 1414 NH2 ARG A 94 13.833 5.879 -4.790 1.00 2.10 N ATOM 0 H ARG A 94 9.237 5.368 -1.085 1.00 0.27 H new ATOM 0 HA ARG A 94 9.135 2.592 -1.730 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.362 4.737 -3.221 1.00 0.34 H new ATOM 0 HB3 ARG A 94 11.070 4.638 -2.844 1.00 0.34 H new ATOM 0 HG2 ARG A 94 10.986 2.225 -3.705 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.383 2.593 -4.309 1.00 0.43 H new ATOM 0 HD2 ARG A 94 11.017 2.926 -6.089 1.00 0.57 H new ATOM 0 HD3 ARG A 94 10.312 4.468 -5.650 1.00 0.57 H new ATOM 0 HE ARG A 94 13.011 3.544 -4.717 1.00 1.04 H new ATOM 0 HH11 ARG A 94 10.830 6.043 -5.937 1.00 1.57 H new ATOM 0 HH12 ARG A 94 12.016 7.336 -5.730 1.00 1.57 H new ATOM 0 HH21 ARG A 94 14.509 5.205 -4.430 1.00 2.10 H new ATOM 0 HH22 ARG A 94 14.092 6.861 -4.881 1.00 2.10 H new ATOM 1428 N LYS A 95 11.889 3.810 -0.376 1.00 0.33 N ATOM 1429 CA LYS A 95 13.152 3.466 0.231 1.00 0.40 C ATOM 1430 C LYS A 95 12.929 2.663 1.506 1.00 0.42 C ATOM 1431 O LYS A 95 13.617 1.678 1.764 1.00 0.46 O ATOM 1432 CB LYS A 95 13.927 4.761 0.512 1.00 0.46 C ATOM 1433 CG LYS A 95 15.292 4.582 1.145 1.00 0.64 C ATOM 1434 CD LYS A 95 15.189 4.363 2.647 1.00 0.56 C ATOM 1435 CE LYS A 95 16.296 3.461 3.170 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.649 4.034 2.943 1.00 0.96 N ATOM 0 H LYS A 95 11.662 4.803 -0.331 1.00 0.33 H new ATOM 0 HA LYS A 95 13.735 2.840 -0.445 1.00 0.40 H new ATOM 0 HB2 LYS A 95 14.050 5.301 -0.427 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.323 5.390 1.165 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.797 3.732 0.687 1.00 0.64 H new ATOM 0 HG3 LYS A 95 15.904 5.462 0.946 1.00 0.64 H new ATOM 0 HD2 LYS A 95 15.234 5.325 3.157 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.221 3.922 2.883 1.00 0.56 H new ATOM 0 HE2 LYS A 95 16.150 3.293 4.237 1.00 0.60 H new ATOM 0 HE3 LYS A 95 16.230 2.489 2.682 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.368 3.391 3.332 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.808 4.155 1.922 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.719 4.958 3.416 1.00 0.96 H new ATOM 1450 N ARG A 96 11.964 3.094 2.305 1.00 0.45 N ATOM 1451 CA ARG A 96 11.681 2.436 3.570 1.00 0.51 C ATOM 1452 C ARG A 96 11.017 1.088 3.334 1.00 0.57 C ATOM 1453 O ARG A 96 11.060 0.199 4.182 1.00 0.72 O ATOM 1454 CB ARG A 96 10.808 3.318 4.464 1.00 0.55 C ATOM 1455 CG ARG A 96 11.452 4.654 4.799 1.00 0.59 C ATOM 1456 CD ARG A 96 12.834 4.467 5.394 1.00 0.72 C ATOM 1457 NE ARG A 96 13.553 5.732 5.519 1.00 1.98 N ATOM 1458 CZ ARG A 96 14.782 5.845 6.027 1.00 2.35 C ATOM 1459 NH1 ARG A 96 15.423 4.776 6.481 1.00 1.58 N ATOM 1460 NH2 ARG A 96 15.371 7.028 6.091 1.00 3.57 N ATOM 0 H ARG A 96 11.366 3.894 2.100 1.00 0.45 H new ATOM 0 HA ARG A 96 12.628 2.269 4.084 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.854 3.496 3.968 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.591 2.784 5.389 1.00 0.55 H new ATOM 0 HG2 ARG A 96 11.521 5.263 3.897 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.822 5.198 5.503 1.00 0.59 H new ATOM 0 HD2 ARG A 96 12.746 4.002 6.376 1.00 0.72 H new ATOM 0 HD3 ARG A 96 13.408 3.784 4.768 1.00 0.72 H new ATOM 0 HE ARG A 96 13.087 6.581 5.198 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.977 3.860 6.443 1.00 1.58 H new ATOM 0 HH12 ARG A 96 16.362 4.870 6.868 1.00 1.58 H new ATOM 0 HH21 ARG A 96 14.886 7.858 5.751 1.00 3.57 H new ATOM 0 HH22 ARG A 96 16.310 7.110 6.480 1.00 3.57 H new ATOM 1474 N LEU A 97 10.395 0.962 2.179 1.00 0.52 N ATOM 1475 CA LEU A 97 9.711 -0.252 1.795 1.00 0.57 C ATOM 1476 C LEU A 97 10.678 -1.329 1.309 1.00 0.64 C ATOM 1477 O LEU A 97 10.700 -2.441 1.844 1.00 0.96 O ATOM 1478 CB LEU A 97 8.694 0.095 0.711 1.00 0.70 C ATOM 1479 CG LEU A 97 8.106 -1.063 -0.070 1.00 0.88 C ATOM 1480 CD1 LEU A 97 7.654 -2.175 0.862 1.00 1.45 C ATOM 1481 CD2 LEU A 97 6.958 -0.552 -0.914 1.00 1.65 C ATOM 0 H LEU A 97 10.351 1.703 1.479 1.00 0.52 H new ATOM 0 HA LEU A 97 9.207 -0.666 2.668 1.00 0.57 H new ATOM 0 HB2 LEU A 97 7.874 0.642 1.177 1.00 0.70 H new ATOM 0 HB3 LEU A 97 9.170 0.775 0.004 1.00 0.70 H new ATOM 0 HG LEU A 97 8.870 -1.486 -0.723 1.00 0.88 H new ATOM 0 HD11 LEU A 97 7.236 -2.994 0.276 1.00 1.45 H new ATOM 0 HD12 LEU A 97 8.507 -2.538 1.436 1.00 1.45 H new ATOM 0 HD13 LEU A 97 6.895 -1.792 1.544 1.00 1.45 H new ATOM 0 HD21 LEU A 97 6.527 -1.378 -1.481 1.00 1.65 H new ATOM 0 HD22 LEU A 97 6.195 -0.119 -0.267 1.00 1.65 H new ATOM 0 HD23 LEU A 97 7.324 0.209 -1.603 1.00 1.65 H new ATOM 1493 N THR A 98 11.460 -1.017 0.288 1.00 0.54 N ATOM 1494 CA THR A 98 12.330 -2.013 -0.312 1.00 0.65 C ATOM 1495 C THR A 98 13.776 -1.533 -0.326 1.00 0.74 C ATOM 1496 O THR A 98 14.218 -0.843 -1.246 1.00 1.53 O ATOM 1497 CB THR A 98 11.851 -2.368 -1.740 1.00 0.92 C ATOM 1498 OG1 THR A 98 10.475 -2.752 -1.690 1.00 1.15 O ATOM 1499 CG2 THR A 98 12.660 -3.503 -2.354 1.00 1.12 C ATOM 0 H THR A 98 11.510 -0.092 -0.138 1.00 0.54 H new ATOM 0 HA THR A 98 12.283 -2.917 0.296 1.00 0.65 H new ATOM 0 HB THR A 98 11.988 -1.485 -2.364 1.00 0.92 H new ATOM 0 HG1 THR A 98 10.304 -3.445 -2.362 1.00 1.15 H new ATOM 0 HG21 THR A 98 12.286 -3.716 -3.356 1.00 1.12 H new ATOM 0 HG22 THR A 98 13.709 -3.212 -2.412 1.00 1.12 H new ATOM 0 HG23 THR A 98 12.564 -4.395 -1.734 1.00 1.12 H new ATOM 1507 N LYS A 99 14.498 -1.878 0.727 1.00 0.79 N ATOM 1508 CA LYS A 99 15.872 -1.412 0.880 1.00 1.12 C ATOM 1509 C LYS A 99 16.868 -2.548 1.004 1.00 1.36 C ATOM 1510 O LYS A 99 18.050 -2.320 1.267 1.00 2.28 O ATOM 1511 CB LYS A 99 15.958 -0.495 2.094 1.00 1.29 C ATOM 1512 CG LYS A 99 15.951 -1.223 3.432 1.00 1.18 C ATOM 1513 CD LYS A 99 15.593 -0.296 4.584 1.00 1.56 C ATOM 1514 CE LYS A 99 14.105 0.017 4.598 1.00 1.98 C ATOM 1515 NZ LYS A 99 13.287 -1.131 5.078 1.00 2.72 N ATOM 0 H LYS A 99 14.162 -2.474 1.484 1.00 0.79 H new ATOM 0 HA LYS A 99 16.139 -0.866 -0.025 1.00 1.12 H new ATOM 0 HB2 LYS A 99 16.869 0.099 2.022 1.00 1.29 H new ATOM 0 HB3 LYS A 99 15.120 0.202 2.068 1.00 1.29 H new ATOM 0 HG2 LYS A 99 15.237 -2.046 3.393 1.00 1.18 H new ATOM 0 HG3 LYS A 99 16.933 -1.661 3.611 1.00 1.18 H new ATOM 0 HD2 LYS A 99 15.879 -0.759 5.529 1.00 1.56 H new ATOM 0 HD3 LYS A 99 16.161 0.630 4.498 1.00 1.56 H new ATOM 0 HE2 LYS A 99 13.924 0.881 5.238 1.00 1.98 H new ATOM 0 HE3 LYS A 99 13.785 0.292 3.593 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 12.282 -0.948 4.880 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 13.584 -1.998 4.587 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 13.422 -1.249 6.102 1.00 2.72 H new ATOM 1529 N ARG A 100 16.387 -3.756 0.795 1.00 1.04 N ATOM 1530 CA ARG A 100 17.211 -4.955 0.867 1.00 1.17 C ATOM 1531 C ARG A 100 17.690 -5.207 2.296 1.00 1.12 C ATOM 1532 O ARG A 100 18.623 -5.979 2.519 1.00 1.39 O ATOM 1533 CB ARG A 100 18.424 -4.880 -0.076 1.00 1.55 C ATOM 1534 CG ARG A 100 18.075 -4.618 -1.531 1.00 2.10 C ATOM 1535 CD ARG A 100 19.269 -4.848 -2.450 1.00 2.50 C ATOM 1536 NE ARG A 100 20.476 -4.153 -2.001 1.00 3.10 N ATOM 1537 CZ ARG A 100 21.129 -3.240 -2.728 1.00 3.59 C ATOM 1538 NH1 ARG A 100 20.661 -2.848 -3.908 1.00 3.60 N ATOM 1539 NH2 ARG A 100 22.255 -2.712 -2.270 1.00 4.38 N ATOM 0 H ARG A 100 15.409 -3.940 0.569 1.00 1.04 H new ATOM 0 HA ARG A 100 16.581 -5.785 0.547 1.00 1.17 H new ATOM 0 HB2 ARG A 100 19.091 -4.091 0.272 1.00 1.55 H new ATOM 0 HB3 ARG A 100 18.977 -5.817 -0.011 1.00 1.55 H new ATOM 0 HG2 ARG A 100 17.255 -5.270 -1.831 1.00 2.10 H new ATOM 0 HG3 ARG A 100 17.724 -3.592 -1.641 1.00 2.10 H new ATOM 0 HD2 ARG A 100 19.473 -5.917 -2.511 1.00 2.50 H new ATOM 0 HD3 ARG A 100 19.016 -4.513 -3.456 1.00 2.50 H new ATOM 0 HE ARG A 100 20.842 -4.379 -1.076 1.00 3.10 H new ATOM 0 HH11 ARG A 100 19.794 -3.244 -4.270 1.00 3.60 H new ATOM 0 HH12 ARG A 100 21.169 -2.151 -4.452 1.00 3.60 H new ATOM 0 HH21 ARG A 100 22.623 -3.002 -1.364 1.00 4.38 H new ATOM 0 HH22 ARG A 100 22.754 -2.016 -2.824 1.00 4.38 H new ATOM 1553 N SER A 101 17.054 -4.563 3.266 1.00 1.05 N ATOM 1554 CA SER A 101 17.504 -4.666 4.648 1.00 1.37 C ATOM 1555 C SER A 101 16.384 -5.137 5.564 1.00 1.22 C ATOM 1556 O SER A 101 16.424 -4.923 6.776 1.00 1.64 O ATOM 1557 CB SER A 101 18.042 -3.319 5.126 1.00 1.90 C ATOM 1558 OG SER A 101 19.071 -2.856 4.268 1.00 2.51 O ATOM 0 H SER A 101 16.235 -3.971 3.125 1.00 1.05 H new ATOM 0 HA SER A 101 18.302 -5.407 4.687 1.00 1.37 H new ATOM 0 HB2 SER A 101 17.233 -2.589 5.158 1.00 1.90 H new ATOM 0 HB3 SER A 101 18.425 -3.415 6.142 1.00 1.90 H new ATOM 0 HG SER A 101 19.401 -1.991 4.590 1.00 2.51 H new ATOM 1564 N GLU A 102 15.388 -5.781 4.990 1.00 1.06 N ATOM 1565 CA GLU A 102 14.280 -6.291 5.768 1.00 1.19 C ATOM 1566 C GLU A 102 13.900 -7.690 5.296 1.00 0.93 C ATOM 1567 O GLU A 102 13.777 -7.931 4.103 1.00 1.34 O ATOM 1568 CB GLU A 102 13.078 -5.330 5.689 1.00 1.63 C ATOM 1569 CG GLU A 102 12.533 -5.067 4.279 1.00 2.12 C ATOM 1570 CD GLU A 102 13.491 -4.316 3.365 1.00 2.70 C ATOM 1571 OE1 GLU A 102 13.612 -3.082 3.494 1.00 2.95 O ATOM 1572 OE2 GLU A 102 14.131 -4.957 2.516 1.00 3.40 O ATOM 0 H GLU A 102 15.324 -5.963 3.988 1.00 1.06 H new ATOM 0 HA GLU A 102 14.586 -6.359 6.812 1.00 1.19 H new ATOM 0 HB2 GLU A 102 12.272 -5.734 6.302 1.00 1.63 H new ATOM 0 HB3 GLU A 102 13.368 -4.377 6.131 1.00 1.63 H new ATOM 0 HG2 GLU A 102 12.281 -6.021 3.816 1.00 2.12 H new ATOM 0 HG3 GLU A 102 11.607 -4.498 4.361 1.00 2.12 H new ATOM 1579 N GLU A 103 13.759 -8.624 6.233 1.00 0.74 N ATOM 1580 CA GLU A 103 13.343 -9.980 5.886 1.00 0.68 C ATOM 1581 C GLU A 103 11.825 -10.068 5.833 1.00 0.54 C ATOM 1582 O GLU A 103 11.258 -10.955 5.202 1.00 0.61 O ATOM 1583 CB GLU A 103 13.869 -10.998 6.899 1.00 0.95 C ATOM 1584 CG GLU A 103 13.275 -10.838 8.286 1.00 1.37 C ATOM 1585 CD GLU A 103 13.250 -12.141 9.050 1.00 2.16 C ATOM 1586 OE1 GLU A 103 12.247 -12.880 8.944 1.00 2.68 O ATOM 1587 OE2 GLU A 103 14.230 -12.428 9.766 1.00 2.58 O ATOM 0 H GLU A 103 13.925 -8.470 7.228 1.00 0.74 H new ATOM 0 HA GLU A 103 13.761 -10.212 4.906 1.00 0.68 H new ATOM 0 HB2 GLU A 103 13.656 -12.003 6.535 1.00 0.95 H new ATOM 0 HB3 GLU A 103 14.953 -10.906 6.964 1.00 0.95 H new ATOM 0 HG2 GLU A 103 13.854 -10.102 8.845 1.00 1.37 H new ATOM 0 HG3 GLU A 103 12.260 -10.448 8.202 1.00 1.37 H new ATOM 1594 N VAL A 104 11.177 -9.142 6.517 1.00 0.40 N ATOM 1595 CA VAL A 104 9.733 -9.100 6.581 1.00 0.33 C ATOM 1596 C VAL A 104 9.262 -7.668 6.395 1.00 0.29 C ATOM 1597 O VAL A 104 9.897 -6.726 6.880 1.00 0.34 O ATOM 1598 CB VAL A 104 9.211 -9.677 7.916 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.883 -9.000 9.099 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.699 -9.552 8.015 1.00 0.37 C ATOM 0 H VAL A 104 11.640 -8.400 7.042 1.00 0.40 H new ATOM 0 HA VAL A 104 9.330 -9.720 5.780 1.00 0.33 H new ATOM 0 HB VAL A 104 9.463 -10.737 7.940 1.00 0.38 H new ATOM 0 HG11 VAL A 104 9.499 -9.423 10.027 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.960 -9.160 9.046 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.673 -7.931 9.074 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.361 -9.966 8.965 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.416 -8.501 7.956 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.234 -10.099 7.195 1.00 0.37 H new ATOM 1610 N VAL A 105 8.165 -7.500 5.687 1.00 0.28 N ATOM 1611 CA VAL A 105 7.721 -6.184 5.304 1.00 0.28 C ATOM 1612 C VAL A 105 6.359 -5.870 5.854 1.00 0.26 C ATOM 1613 O VAL A 105 5.381 -6.576 5.618 1.00 0.26 O ATOM 1614 CB VAL A 105 7.726 -5.993 3.789 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.005 -4.711 3.409 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.152 -5.962 3.323 1.00 0.46 C ATOM 0 H VAL A 105 7.567 -8.261 5.367 1.00 0.28 H new ATOM 0 HA VAL A 105 8.438 -5.487 5.738 1.00 0.28 H new ATOM 0 HB VAL A 105 7.199 -6.817 3.308 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.019 -4.593 2.326 1.00 0.34 H new ATOM 0 HG12 VAL A 105 5.973 -4.758 3.755 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.505 -3.861 3.873 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.179 -5.826 2.242 1.00 0.46 H new ATOM 0 HG22 VAL A 105 9.675 -5.136 3.805 1.00 0.46 H new ATOM 0 HG23 VAL A 105 9.640 -6.901 3.583 1.00 0.46 H new ATOM 1626 N ARG A 106 6.344 -4.817 6.622 1.00 0.29 N ATOM 1627 CA ARG A 106 5.159 -4.342 7.272 1.00 0.28 C ATOM 1628 C ARG A 106 4.568 -3.192 6.484 1.00 0.26 C ATOM 1629 O ARG A 106 5.271 -2.255 6.123 1.00 0.32 O ATOM 1630 CB ARG A 106 5.513 -3.919 8.682 1.00 0.35 C ATOM 1631 CG ARG A 106 6.176 -5.031 9.479 1.00 0.43 C ATOM 1632 CD ARG A 106 7.652 -5.217 9.108 1.00 0.54 C ATOM 1633 NE ARG A 106 8.498 -5.329 10.296 1.00 0.81 N ATOM 1634 CZ ARG A 106 9.823 -5.189 10.305 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.496 -4.999 9.174 1.00 1.76 N ATOM 1636 NH2 ARG A 106 10.477 -5.259 11.456 1.00 1.46 N ATOM 0 H ARG A 106 7.173 -4.255 6.816 1.00 0.29 H new ATOM 0 HA ARG A 106 4.410 -5.132 7.320 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.181 -3.058 8.642 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.609 -3.597 9.198 1.00 0.35 H new ATOM 0 HG2 ARG A 106 6.097 -4.808 10.543 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.641 -5.965 9.308 1.00 0.43 H new ATOM 0 HD2 ARG A 106 7.763 -6.112 8.496 1.00 0.54 H new ATOM 0 HD3 ARG A 106 7.984 -4.374 8.503 1.00 0.54 H new ATOM 0 HE ARG A 106 8.039 -5.529 11.185 1.00 0.81 H new ATOM 0 HH11 ARG A 106 9.998 -4.959 8.285 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.510 -4.893 9.196 1.00 1.76 H new ATOM 0 HH21 ARG A 106 9.966 -5.419 12.324 1.00 1.46 H new ATOM 0 HH22 ARG A 106 11.491 -5.153 11.473 1.00 1.46 H new ATOM 1650 N LEU A 107 3.302 -3.285 6.206 1.00 0.24 N ATOM 1651 CA LEU A 107 2.612 -2.281 5.417 1.00 0.24 C ATOM 1652 C LEU A 107 1.307 -1.910 6.093 1.00 0.21 C ATOM 1653 O LEU A 107 0.574 -2.792 6.522 1.00 0.28 O ATOM 1654 CB LEU A 107 2.332 -2.839 4.017 1.00 0.37 C ATOM 1655 CG LEU A 107 1.734 -1.853 3.018 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.800 -0.880 2.538 1.00 0.98 C ATOM 1657 CD2 LEU A 107 1.118 -2.600 1.844 1.00 1.12 C ATOM 0 H LEU A 107 2.709 -4.055 6.515 1.00 0.24 H new ATOM 0 HA LEU A 107 3.236 -1.391 5.333 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.266 -3.223 3.606 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.654 -3.687 4.113 1.00 0.37 H new ATOM 0 HG LEU A 107 0.947 -1.284 3.513 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.361 -0.182 1.826 1.00 0.98 H new ATOM 0 HD12 LEU A 107 3.198 -0.328 3.389 1.00 0.98 H new ATOM 0 HD13 LEU A 107 3.606 -1.432 2.055 1.00 0.98 H new ATOM 0 HD21 LEU A 107 0.695 -1.884 1.139 1.00 1.12 H new ATOM 0 HD22 LEU A 107 1.886 -3.190 1.345 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.331 -3.261 2.206 1.00 1.12 H new ATOM 1669 N LEU A 108 1.001 -0.629 6.200 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.285 -0.233 6.697 1.00 0.15 C ATOM 1671 C LEU A 108 -1.036 0.353 5.533 1.00 0.15 C ATOM 1672 O LEU A 108 -0.534 1.240 4.867 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.136 0.773 7.832 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.417 1.090 8.594 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.106 -0.207 9.023 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -1.093 1.950 9.805 1.00 0.26 C ATOM 0 H LEU A 108 1.624 0.139 5.950 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.829 -1.083 7.110 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.602 0.393 8.538 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.263 1.701 7.423 1.00 0.19 H new ATOM 0 HG LEU A 108 -2.096 1.642 7.944 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.021 0.030 9.567 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.351 -0.798 8.140 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.438 -0.778 9.668 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -2.011 2.175 10.348 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.407 1.413 10.460 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.628 2.880 9.477 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.201 -0.169 5.251 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.903 0.204 4.052 1.00 0.21 C ATOM 1690 C VAL A 109 -4.326 0.586 4.357 1.00 0.22 C ATOM 1691 O VAL A 109 -4.930 0.113 5.312 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.882 -0.963 3.035 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -4.115 -1.844 3.134 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -2.702 -0.451 1.627 1.00 0.77 C ATOM 0 H VAL A 109 -2.683 -0.853 5.835 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.398 1.068 3.620 1.00 0.21 H new ATOM 0 HB VAL A 109 -2.025 -1.586 3.291 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -4.049 -2.646 2.399 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -4.177 -2.273 4.134 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -5.006 -1.246 2.940 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -2.691 -1.291 0.933 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -3.526 0.217 1.375 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -1.759 0.092 1.555 1.00 0.77 H new ATOM 1704 N THR A 110 -4.841 1.474 3.572 1.00 0.22 N ATOM 1705 CA THR A 110 -6.256 1.685 3.556 1.00 0.25 C ATOM 1706 C THR A 110 -6.863 0.920 2.389 1.00 0.26 C ATOM 1707 O THR A 110 -6.592 1.218 1.224 1.00 0.30 O ATOM 1708 CB THR A 110 -6.601 3.161 3.434 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.441 3.978 3.643 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.655 3.519 4.443 1.00 0.33 C ATOM 0 H THR A 110 -4.308 2.065 2.934 1.00 0.22 H new ATOM 0 HA THR A 110 -6.666 1.324 4.499 1.00 0.25 H new ATOM 0 HB THR A 110 -6.976 3.343 2.427 1.00 0.30 H new ATOM 0 HG1 THR A 110 -4.839 3.894 2.875 1.00 0.34 H new ATOM 0 HG21 THR A 110 -7.900 4.577 4.353 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.549 2.923 4.262 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.281 3.317 5.447 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.676 -0.062 2.725 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.208 -1.011 1.774 1.00 0.37 C ATOM 1720 C ARG A 111 -9.671 -0.713 1.486 1.00 0.42 C ATOM 1721 O ARG A 111 -10.464 -0.498 2.402 1.00 0.49 O ATOM 1722 CB ARG A 111 -8.007 -2.414 2.356 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.057 -3.449 2.003 1.00 0.47 C ATOM 1724 CD ARG A 111 -8.720 -4.758 2.702 1.00 0.58 C ATOM 1725 NE ARG A 111 -9.764 -5.776 2.580 1.00 1.06 N ATOM 1726 CZ ARG A 111 -9.655 -7.010 3.098 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -8.526 -7.387 3.690 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -10.663 -7.871 2.993 1.00 2.01 N ATOM 0 H ARG A 111 -7.989 -0.223 3.682 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.687 -0.940 0.819 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -7.037 -2.785 2.025 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -7.962 -2.330 3.442 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -10.044 -3.103 2.309 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -9.091 -3.597 0.924 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -7.791 -5.152 2.289 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -8.540 -4.560 3.759 1.00 0.58 H new ATOM 0 HE ARG A 111 -10.618 -5.536 2.076 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -7.741 -6.739 3.751 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -8.445 -8.325 4.083 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -11.522 -7.595 2.518 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -10.577 -8.808 3.388 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.023 -0.672 0.211 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.386 -0.361 -0.173 1.00 0.71 C ATOM 1744 C GLN A 112 -12.131 -1.593 -0.663 1.00 0.89 C ATOM 1745 O GLN A 112 -12.743 -2.307 0.130 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.460 0.775 -1.199 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.279 0.900 -2.153 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.126 1.707 -1.568 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -9.143 2.939 -1.616 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -8.069 1.041 -1.133 1.00 0.66 N ATOM 0 H GLN A 112 -9.389 -0.849 -0.568 1.00 0.56 H new ATOM 0 HA GLN A 112 -11.885 -0.009 0.730 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.366 0.643 -1.791 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -11.566 1.717 -0.660 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -9.923 -0.096 -2.414 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -10.613 1.371 -3.077 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -8.085 0.022 -1.105 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.238 1.547 -0.826 1.00 0.66 H new ATOM 1759 N SER A 113 -12.063 -1.868 -1.954 1.00 0.79 N ATOM 1760 CA SER A 113 -12.872 -2.937 -2.517 1.00 0.96 C ATOM 1761 C SER A 113 -12.287 -3.473 -3.822 1.00 0.89 C ATOM 1762 O SER A 113 -13.008 -3.703 -4.789 1.00 1.18 O ATOM 1763 CB SER A 113 -14.295 -2.427 -2.747 1.00 1.25 C ATOM 1764 OG SER A 113 -15.197 -3.493 -3.002 1.00 1.62 O ATOM 0 H SER A 113 -11.468 -1.377 -2.622 1.00 0.79 H new ATOM 0 HA SER A 113 -12.882 -3.763 -1.806 1.00 0.96 H new ATOM 0 HB2 SER A 113 -14.628 -1.869 -1.872 1.00 1.25 H new ATOM 0 HB3 SER A 113 -14.302 -1.734 -3.588 1.00 1.25 H new ATOM 0 HG SER A 113 -14.901 -3.989 -3.794 1.00 1.62 H new ATOM 1770 N LEU A 114 -10.984 -3.698 -3.838 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.345 -4.308 -5.001 1.00 0.94 C ATOM 1772 C LEU A 114 -10.096 -5.787 -4.707 1.00 1.13 C ATOM 1773 O LEU A 114 -9.256 -6.436 -5.335 1.00 1.65 O ATOM 1774 CB LEU A 114 -9.014 -3.620 -5.362 1.00 0.90 C ATOM 1775 CG LEU A 114 -8.970 -2.080 -5.304 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -10.233 -1.460 -5.881 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -8.736 -1.601 -3.879 1.00 1.23 C ATOM 0 H LEU A 114 -10.351 -3.472 -3.071 1.00 0.90 H new ATOM 0 HA LEU A 114 -11.012 -4.191 -5.855 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.244 -4.004 -4.692 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -8.740 -3.927 -6.371 1.00 0.90 H new ATOM 0 HG LEU A 114 -8.133 -1.752 -5.921 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -10.165 -0.374 -5.823 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -10.343 -1.761 -6.923 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -11.098 -1.800 -5.312 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -8.708 -0.511 -3.861 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -9.545 -1.954 -3.239 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -7.787 -1.994 -3.514 1.00 1.23 H new