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 78 MET CE :methyl 158:sc= -6.16! (180deg=-7.74!) USER MOD Set 1.2: A 110 THR OG1 : rot 78:sc= 1.04 USER MOD Set 2.1: A 76 LYS NZ :NH3+ -179:sc= 0.447 (180deg=0) USER MOD Set 2.2: A 112 GLN : amide:sc= -3.01! C(o=-2.6!,f=-2.4!) USER MOD Set 3.1: A 20 LYS NZ :NH3+ 155:sc= 0.943 (180deg=-1.33) USER MOD Set 3.2: A 98 THR OG1 : rot -120:sc= -1.08 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -5.22! C(o=-10!,f=-5.2!) USER MOD Single : A 19 HIS : no HD1:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.8) USER MOD Single : A 26 ASN : amide:sc= 0.707 K(o=0.71,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.08 K(o=1.1,f=-0.2) 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 35:sc= -0.0874 USER MOD Single : A 72 GLN :FLIP amide:sc= -1.11 F(o=-5.8!,f=-1.1) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0489 F(o=-1.2!,f=-0.049) USER MOD Single : A 81 ASN : amide:sc= -0.935 K(o=-0.93,f=-5.9!) USER MOD Single : A 85 MET CE :methyl -138:sc= -2.23! (180deg=-8.27!) USER MOD Single : A 86 THR OG1 : rot -96:sc= 1.06 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.741 USER MOD Single : A 90 HIS : no HD1:sc= -2.65! C(o=-2.7!,f=-4.4!) USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00532) USER MOD Single : A 99 LYS NZ :NH3+ -146:sc= -1.45 (180deg=-2.37!) USER MOD Single : A 101 SER OG : rot -41:sc= 0.796 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -15.376 5.783 4.515 1.00 1.00 N ATOM 140 CA THR A 10 -15.194 4.699 5.454 1.00 1.07 C ATOM 141 C THR A 10 -14.740 3.442 4.751 1.00 0.92 C ATOM 142 O THR A 10 -15.509 2.545 4.408 1.00 0.99 O ATOM 143 CB THR A 10 -16.448 4.438 6.291 1.00 1.30 C ATOM 144 OG1 THR A 10 -16.320 3.213 7.025 1.00 2.09 O ATOM 145 CG2 THR A 10 -17.677 4.398 5.410 1.00 1.90 C ATOM 0 HA THR A 10 -14.409 5.007 6.145 1.00 1.07 H new ATOM 0 HB THR A 10 -16.559 5.256 7.002 1.00 1.30 H new ATOM 0 HG1 THR A 10 -17.130 3.063 7.555 1.00 2.09 H new ATOM 0 HG21 THR A 10 -18.558 4.211 6.023 1.00 1.90 H new ATOM 0 HG22 THR A 10 -17.788 5.353 4.897 1.00 1.90 H new ATOM 0 HG23 THR A 10 -17.571 3.601 4.674 1.00 1.90 H new ATOM 153 N ALA A 11 -13.464 3.441 4.531 1.00 0.83 N ATOM 154 CA ALA A 11 -12.750 2.304 3.995 1.00 0.74 C ATOM 155 C ALA A 11 -12.155 1.487 5.133 1.00 0.77 C ATOM 156 O ALA A 11 -12.283 1.853 6.304 1.00 0.96 O ATOM 157 CB ALA A 11 -11.662 2.766 3.038 1.00 0.70 C ATOM 0 H ALA A 11 -12.866 4.246 4.720 1.00 0.83 H new ATOM 0 HA ALA A 11 -13.446 1.675 3.439 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -11.133 1.899 2.643 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -12.113 3.322 2.216 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.959 3.409 3.569 1.00 0.70 H new ATOM 163 N VAL A 12 -11.490 0.405 4.789 1.00 0.65 N ATOM 164 CA VAL A 12 -10.972 -0.525 5.783 1.00 0.72 C ATOM 165 C VAL A 12 -9.452 -0.473 5.816 1.00 0.54 C ATOM 166 O VAL A 12 -8.790 -0.933 4.890 1.00 0.54 O ATOM 167 CB VAL A 12 -11.414 -1.976 5.491 1.00 0.89 C ATOM 168 CG1 VAL A 12 -10.933 -2.921 6.584 1.00 1.57 C ATOM 169 CG2 VAL A 12 -12.926 -2.060 5.331 1.00 1.38 C ATOM 0 H VAL A 12 -11.292 0.142 3.824 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.378 -0.222 6.748 1.00 0.72 H new ATOM 0 HB VAL A 12 -10.956 -2.285 4.551 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -11.257 -3.936 6.356 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -9.845 -2.891 6.638 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -11.353 -2.613 7.542 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -13.213 -3.091 5.126 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -13.408 -1.725 6.249 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -13.240 -1.424 4.503 1.00 1.38 H new ATOM 179 N VAL A 13 -8.896 0.091 6.868 1.00 0.52 N ATOM 180 CA VAL A 13 -7.450 0.183 6.986 1.00 0.44 C ATOM 181 C VAL A 13 -6.869 -1.164 7.388 1.00 0.41 C ATOM 182 O VAL A 13 -6.894 -1.547 8.555 1.00 0.50 O ATOM 183 CB VAL A 13 -7.024 1.232 8.020 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.513 1.425 8.011 1.00 0.90 C ATOM 185 CG2 VAL A 13 -7.744 2.547 7.777 1.00 1.02 C ATOM 0 H VAL A 13 -9.416 0.491 7.649 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.069 0.484 6.010 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.306 0.869 9.008 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.237 2.174 8.753 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -5.024 0.480 8.250 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -5.195 1.759 7.023 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -7.428 3.278 8.521 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -7.502 2.916 6.780 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -8.820 2.392 7.855 1.00 1.02 H new ATOM 195 N GLN A 14 -6.380 -1.888 6.408 1.00 0.37 N ATOM 196 CA GLN A 14 -5.756 -3.191 6.666 1.00 0.40 C ATOM 197 C GLN A 14 -4.232 -3.095 6.598 1.00 0.32 C ATOM 198 O GLN A 14 -3.695 -2.132 6.081 1.00 0.41 O ATOM 199 CB GLN A 14 -6.279 -4.239 5.683 1.00 0.51 C ATOM 200 CG GLN A 14 -5.807 -4.073 4.255 1.00 0.53 C ATOM 201 CD GLN A 14 -4.629 -4.962 3.914 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.431 -4.443 4.077 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -4.797 -6.099 3.490 1.00 0.55 N flip ATOM 0 H GLN A 14 -6.396 -1.610 5.427 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.025 -3.501 7.676 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -5.980 -5.226 6.035 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.369 -4.213 5.694 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.631 -4.296 3.577 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.530 -3.032 4.088 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -5.742 -6.467 3.377 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -3.992 -6.678 3.250 1.00 0.55 H new ATOM 212 N ARG A 15 -3.529 -4.097 7.099 1.00 0.32 N ATOM 213 CA ARG A 15 -2.075 -4.063 7.093 1.00 0.39 C ATOM 214 C ARG A 15 -1.503 -5.310 6.432 1.00 0.33 C ATOM 215 O ARG A 15 -1.709 -6.428 6.901 1.00 0.55 O ATOM 216 CB ARG A 15 -1.488 -3.886 8.504 1.00 0.70 C ATOM 217 CG ARG A 15 -2.510 -3.803 9.630 1.00 0.75 C ATOM 218 CD ARG A 15 -3.115 -5.158 9.920 1.00 1.44 C ATOM 219 NE ARG A 15 -4.080 -5.119 11.020 1.00 2.26 N ATOM 220 CZ ARG A 15 -4.101 -5.996 12.026 1.00 2.85 C ATOM 221 NH1 ARG A 15 -3.209 -6.985 12.071 1.00 2.98 N ATOM 222 NH2 ARG A 15 -5.015 -5.885 12.985 1.00 3.63 N ATOM 0 H ARG A 15 -3.936 -4.937 7.511 1.00 0.32 H new ATOM 0 HA ARG A 15 -1.784 -3.190 6.508 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -0.816 -4.720 8.707 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -0.884 -2.979 8.517 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -2.033 -3.415 10.530 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -3.298 -3.101 9.358 1.00 0.75 H new ATOM 0 HD2 ARG A 15 -3.608 -5.532 9.022 1.00 1.44 H new ATOM 0 HD3 ARG A 15 -2.320 -5.862 10.164 1.00 1.44 H new ATOM 0 HE ARG A 15 -4.779 -4.376 11.018 1.00 2.26 H new ATOM 0 HH11 ARG A 15 -2.508 -7.073 11.335 1.00 2.98 H new ATOM 0 HH12 ARG A 15 -3.227 -7.654 12.841 1.00 2.98 H new ATOM 0 HH21 ARG A 15 -5.700 -5.130 12.952 1.00 3.63 H new ATOM 0 HH22 ARG A 15 -5.031 -6.555 13.754 1.00 3.63 H new ATOM 236 N VAL A 16 -0.802 -5.095 5.328 1.00 0.25 N ATOM 237 CA VAL A 16 -0.152 -6.152 4.583 1.00 0.30 C ATOM 238 C VAL A 16 1.256 -6.370 5.127 1.00 0.26 C ATOM 239 O VAL A 16 2.024 -5.430 5.265 1.00 0.40 O ATOM 240 CB VAL A 16 -0.094 -5.794 3.069 1.00 0.51 C ATOM 241 CG1 VAL A 16 1.000 -6.562 2.342 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.435 -6.068 2.410 1.00 0.64 C ATOM 0 H VAL A 16 -0.670 -4.168 4.923 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.727 -7.071 4.697 1.00 0.30 H new ATOM 0 HB VAL A 16 0.139 -4.732 2.998 1.00 0.51 H new ATOM 0 HG11 VAL A 16 1.004 -6.281 1.289 1.00 1.02 H new ATOM 0 HG12 VAL A 16 1.967 -6.324 2.785 1.00 1.02 H new ATOM 0 HG13 VAL A 16 0.814 -7.632 2.431 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -1.379 -5.813 1.352 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.684 -7.124 2.516 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -2.206 -5.464 2.889 1.00 0.64 H new ATOM 252 N GLU A 17 1.579 -7.599 5.462 1.00 0.22 N ATOM 253 CA GLU A 17 2.912 -7.929 5.943 1.00 0.25 C ATOM 254 C GLU A 17 3.436 -9.133 5.189 1.00 0.24 C ATOM 255 O GLU A 17 2.852 -10.216 5.254 1.00 0.28 O ATOM 256 CB GLU A 17 2.891 -8.198 7.455 1.00 0.33 C ATOM 257 CG GLU A 17 4.161 -8.842 8.001 1.00 0.44 C ATOM 258 CD GLU A 17 4.109 -9.031 9.503 1.00 0.75 C ATOM 259 OE1 GLU A 17 3.247 -9.799 9.991 1.00 1.35 O ATOM 260 OE2 GLU A 17 4.935 -8.416 10.203 1.00 1.31 O ATOM 0 H GLU A 17 0.939 -8.392 5.412 1.00 0.22 H new ATOM 0 HA GLU A 17 3.576 -7.083 5.766 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.724 -7.256 7.976 1.00 0.33 H new ATOM 0 HB3 GLU A 17 2.044 -8.844 7.684 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.311 -9.809 7.520 1.00 0.44 H new ATOM 0 HG3 GLU A 17 5.020 -8.222 7.744 1.00 0.44 H new ATOM 267 N ILE A 18 4.517 -8.951 4.448 1.00 0.24 N ATOM 268 CA ILE A 18 5.082 -10.042 3.704 1.00 0.24 C ATOM 269 C ILE A 18 6.585 -9.888 3.691 1.00 0.27 C ATOM 270 O ILE A 18 7.099 -8.769 3.721 1.00 0.33 O ATOM 271 CB ILE A 18 4.517 -10.113 2.258 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.768 -11.494 1.656 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.110 -9.029 1.371 1.00 0.27 C ATOM 274 CD1 ILE A 18 4.002 -12.587 2.362 1.00 0.61 C ATOM 0 H ILE A 18 5.010 -8.063 4.352 1.00 0.24 H new ATOM 0 HA ILE A 18 4.809 -10.980 4.188 1.00 0.24 H new ATOM 0 HB ILE A 18 3.442 -9.942 2.313 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.488 -11.483 0.603 1.00 0.34 H new ATOM 0 HG13 ILE A 18 5.834 -11.717 1.700 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.691 -9.110 0.368 1.00 0.27 H new ATOM 0 HG22 ILE A 18 4.872 -8.049 1.785 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.192 -9.150 1.323 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.219 -13.546 1.891 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.300 -12.621 3.410 1.00 0.61 H new ATOM 0 HD13 ILE A 18 2.933 -12.384 2.295 1.00 0.61 H new ATOM 286 N HIS A 19 7.294 -10.988 3.699 1.00 0.30 N ATOM 287 CA HIS A 19 8.733 -10.924 3.671 1.00 0.33 C ATOM 288 C HIS A 19 9.182 -10.412 2.318 1.00 0.35 C ATOM 289 O HIS A 19 8.832 -10.990 1.291 1.00 0.40 O ATOM 290 CB HIS A 19 9.348 -12.291 3.962 1.00 0.39 C ATOM 291 CG HIS A 19 9.204 -12.722 5.393 1.00 0.44 C ATOM 292 ND1 HIS A 19 10.243 -13.249 6.123 1.00 0.54 N ATOM 293 CD2 HIS A 19 8.136 -12.700 6.229 1.00 0.46 C ATOM 294 CE1 HIS A 19 9.826 -13.535 7.342 1.00 0.60 C ATOM 295 NE2 HIS A 19 8.547 -13.211 7.436 1.00 0.56 N ATOM 0 H HIS A 19 6.903 -11.930 3.724 1.00 0.30 H new ATOM 0 HA HIS A 19 9.074 -10.240 4.448 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.880 -13.035 3.318 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.407 -12.266 3.703 1.00 0.39 H new ATOM 0 HD2 HIS A 19 7.144 -12.346 5.990 1.00 0.46 H new ATOM 0 HE1 HIS A 19 10.428 -13.962 8.130 1.00 0.60 H new ATOM 0 HE2 HIS A 19 7.964 -13.322 8.265 1.00 0.56 H new ATOM 304 N LYS A 20 9.875 -9.273 2.332 1.00 0.34 N ATOM 305 CA LYS A 20 10.529 -8.740 1.135 1.00 0.36 C ATOM 306 C LYS A 20 11.110 -9.883 0.300 1.00 0.36 C ATOM 307 O LYS A 20 11.797 -10.748 0.841 1.00 0.42 O ATOM 308 CB LYS A 20 11.663 -7.795 1.538 1.00 0.40 C ATOM 309 CG LYS A 20 11.528 -6.368 1.017 1.00 1.42 C ATOM 310 CD LYS A 20 11.436 -6.314 -0.501 1.00 2.33 C ATOM 311 CE LYS A 20 9.997 -6.399 -0.972 1.00 3.13 C ATOM 312 NZ LYS A 20 9.216 -5.203 -0.552 1.00 4.00 N ATOM 0 H LYS A 20 9.999 -8.698 3.165 1.00 0.34 H new ATOM 0 HA LYS A 20 9.788 -8.198 0.547 1.00 0.36 H new ATOM 0 HB2 LYS A 20 11.721 -7.765 2.626 1.00 0.40 H new ATOM 0 HB3 LYS A 20 12.606 -8.209 1.180 1.00 0.40 H new ATOM 0 HG2 LYS A 20 10.639 -5.908 1.449 1.00 1.42 H new ATOM 0 HG3 LYS A 20 12.384 -5.780 1.348 1.00 1.42 H new ATOM 0 HD2 LYS A 20 11.884 -5.388 -0.861 1.00 2.33 H new ATOM 0 HD3 LYS A 20 12.010 -7.135 -0.931 1.00 2.33 H new ATOM 0 HE2 LYS A 20 9.973 -6.488 -2.058 1.00 3.13 H new ATOM 0 HE3 LYS A 20 9.533 -7.299 -0.568 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 8.415 -5.066 -1.201 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 8.858 -5.344 0.414 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 9.828 -4.363 -0.576 1.00 4.00 H new ATOM 326 N LEU A 21 10.884 -9.877 -1.010 1.00 0.33 N ATOM 327 CA LEU A 21 11.234 -11.041 -1.806 1.00 0.37 C ATOM 328 C LEU A 21 12.619 -10.864 -2.389 1.00 0.41 C ATOM 329 O LEU A 21 12.798 -10.386 -3.507 1.00 0.45 O ATOM 330 CB LEU A 21 10.201 -11.278 -2.915 1.00 0.38 C ATOM 331 CG LEU A 21 10.371 -12.577 -3.708 1.00 0.45 C ATOM 332 CD1 LEU A 21 10.273 -13.784 -2.791 1.00 0.55 C ATOM 333 CD2 LEU A 21 9.324 -12.666 -4.812 1.00 0.48 C ATOM 0 H LEU A 21 10.472 -9.101 -1.528 1.00 0.33 H new ATOM 0 HA LEU A 21 11.233 -11.920 -1.161 1.00 0.37 H new ATOM 0 HB2 LEU A 21 9.207 -11.273 -2.468 1.00 0.38 H new ATOM 0 HB3 LEU A 21 10.242 -10.440 -3.611 1.00 0.38 H new ATOM 0 HG LEU A 21 11.361 -12.572 -4.164 1.00 0.45 H new ATOM 0 HD11 LEU A 21 10.397 -14.696 -3.375 1.00 0.55 H new ATOM 0 HD12 LEU A 21 11.055 -13.730 -2.033 1.00 0.55 H new ATOM 0 HD13 LEU A 21 9.297 -13.794 -2.305 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.458 -13.595 -5.367 1.00 0.48 H new ATOM 0 HD22 LEU A 21 8.327 -12.647 -4.371 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.437 -11.819 -5.489 1.00 0.48 H new ATOM 345 N ARG A 22 13.594 -11.245 -1.588 1.00 0.51 N ATOM 346 CA ARG A 22 14.992 -11.049 -1.916 1.00 0.61 C ATOM 347 C ARG A 22 15.531 -12.175 -2.794 1.00 0.60 C ATOM 348 O ARG A 22 15.204 -13.346 -2.604 1.00 0.66 O ATOM 349 CB ARG A 22 15.817 -10.926 -0.632 1.00 0.88 C ATOM 350 CG ARG A 22 15.843 -12.180 0.225 1.00 1.19 C ATOM 351 CD ARG A 22 16.822 -12.032 1.380 1.00 1.94 C ATOM 352 NE ARG A 22 16.408 -11.007 2.348 1.00 2.47 N ATOM 353 CZ ARG A 22 16.911 -10.900 3.586 1.00 3.28 C ATOM 354 NH1 ARG A 22 17.853 -11.738 4.000 1.00 3.78 N ATOM 355 NH2 ARG A 22 16.472 -9.949 4.406 1.00 3.97 N ATOM 0 H ARG A 22 13.439 -11.701 -0.689 1.00 0.51 H new ATOM 0 HA ARG A 22 15.077 -10.124 -2.487 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.841 -10.662 -0.897 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.419 -10.104 -0.037 1.00 0.88 H new ATOM 0 HG2 ARG A 22 14.844 -12.380 0.614 1.00 1.19 H new ATOM 0 HG3 ARG A 22 16.124 -13.037 -0.387 1.00 1.19 H new ATOM 0 HD2 ARG A 22 16.921 -12.989 1.891 1.00 1.94 H new ATOM 0 HD3 ARG A 22 17.806 -11.777 0.986 1.00 1.94 H new ATOM 0 HE ARG A 22 15.695 -10.337 2.061 1.00 2.47 H new ATOM 0 HH11 ARG A 22 18.197 -12.467 3.375 1.00 3.78 H new ATOM 0 HH12 ARG A 22 18.233 -11.653 4.943 1.00 3.78 H new ATOM 0 HH21 ARG A 22 15.751 -9.299 4.093 1.00 3.97 H new ATOM 0 HH22 ARG A 22 16.856 -9.870 5.347 1.00 3.97 H new ATOM 369 N GLN A 23 16.339 -11.790 -3.768 1.00 0.68 N ATOM 370 CA GLN A 23 16.971 -12.728 -4.689 1.00 0.81 C ATOM 371 C GLN A 23 18.400 -12.293 -4.938 1.00 0.93 C ATOM 372 O GLN A 23 18.644 -11.452 -5.803 1.00 1.02 O ATOM 373 CB GLN A 23 16.241 -12.750 -6.034 1.00 0.90 C ATOM 374 CG GLN A 23 14.797 -12.329 -5.941 1.00 1.04 C ATOM 375 CD GLN A 23 13.992 -12.685 -7.177 1.00 0.92 C ATOM 376 OE1 GLN A 23 14.519 -12.731 -8.291 1.00 1.35 O ATOM 377 NE2 GLN A 23 12.707 -12.937 -6.984 1.00 0.69 N ATOM 0 H GLN A 23 16.578 -10.814 -3.945 1.00 0.68 H new ATOM 0 HA GLN A 23 16.935 -13.722 -4.242 1.00 0.81 H new ATOM 0 HB2 GLN A 23 16.759 -12.091 -6.731 1.00 0.90 H new ATOM 0 HB3 GLN A 23 16.292 -13.756 -6.450 1.00 0.90 H new ATOM 0 HG2 GLN A 23 14.342 -12.801 -5.070 1.00 1.04 H new ATOM 0 HG3 GLN A 23 14.748 -11.252 -5.781 1.00 1.04 H new ATOM 0 HE21 GLN A 23 12.313 -12.887 -6.044 1.00 0.69 H new ATOM 0 HE22 GLN A 23 12.111 -13.181 -7.775 1.00 0.69 H new ATOM 386 N GLY A 24 19.329 -12.845 -4.174 1.00 1.03 N ATOM 387 CA GLY A 24 20.725 -12.479 -4.313 1.00 1.19 C ATOM 388 C GLY A 24 20.997 -11.052 -3.883 1.00 1.23 C ATOM 389 O GLY A 24 21.562 -10.812 -2.816 1.00 1.33 O ATOM 0 H GLY A 24 19.141 -13.544 -3.456 1.00 1.03 H new ATOM 0 HA2 GLY A 24 21.336 -13.157 -3.717 1.00 1.19 H new ATOM 0 HA3 GLY A 24 21.029 -12.606 -5.352 1.00 1.19 H new ATOM 393 N GLU A 25 20.575 -10.110 -4.710 1.00 1.27 N ATOM 394 CA GLU A 25 20.812 -8.693 -4.459 1.00 1.43 C ATOM 395 C GLU A 25 19.580 -7.878 -4.819 1.00 1.40 C ATOM 396 O GLU A 25 19.567 -6.653 -4.709 1.00 1.61 O ATOM 397 CB GLU A 25 21.996 -8.205 -5.291 1.00 1.67 C ATOM 398 CG GLU A 25 23.270 -8.991 -5.058 1.00 1.84 C ATOM 399 CD GLU A 25 24.356 -8.615 -6.034 1.00 2.03 C ATOM 400 OE1 GLU A 25 24.288 -9.056 -7.202 1.00 2.21 O ATOM 401 OE2 GLU A 25 25.276 -7.866 -5.644 1.00 2.33 O ATOM 0 H GLU A 25 20.061 -10.301 -5.570 1.00 1.27 H new ATOM 0 HA GLU A 25 21.032 -8.564 -3.399 1.00 1.43 H new ATOM 0 HB2 GLU A 25 21.734 -8.260 -6.347 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.181 -7.155 -5.063 1.00 1.67 H new ATOM 0 HG2 GLU A 25 23.621 -8.817 -4.041 1.00 1.84 H new ATOM 0 HG3 GLU A 25 23.059 -10.057 -5.145 1.00 1.84 H new ATOM 408 N ASN A 26 18.540 -8.574 -5.245 1.00 1.21 N ATOM 409 CA ASN A 26 17.348 -7.919 -5.749 1.00 1.23 C ATOM 410 C ASN A 26 16.189 -8.197 -4.819 1.00 1.05 C ATOM 411 O ASN A 26 15.842 -9.348 -4.591 1.00 1.06 O ATOM 412 CB ASN A 26 17.002 -8.432 -7.154 1.00 1.31 C ATOM 413 CG ASN A 26 18.215 -8.547 -8.057 1.00 1.39 C ATOM 414 OD1 ASN A 26 18.590 -7.597 -8.750 1.00 1.87 O ATOM 415 ND2 ASN A 26 18.833 -9.723 -8.056 1.00 1.33 N ATOM 0 H ASN A 26 18.498 -9.593 -5.251 1.00 1.21 H new ATOM 0 HA ASN A 26 17.536 -6.847 -5.801 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.524 -9.408 -7.071 1.00 1.31 H new ATOM 0 HB3 ASN A 26 16.277 -7.759 -7.612 1.00 1.31 H new ATOM 0 HD21 ASN A 26 19.653 -9.869 -8.645 1.00 1.33 H new ATOM 0 HD22 ASN A 26 18.487 -10.480 -7.467 1.00 1.33 H new ATOM 422 N LEU A 27 15.599 -7.160 -4.268 1.00 0.95 N ATOM 423 CA LEU A 27 14.438 -7.336 -3.430 1.00 0.82 C ATOM 424 C LEU A 27 13.206 -6.954 -4.208 1.00 0.71 C ATOM 425 O LEU A 27 13.039 -5.804 -4.602 1.00 0.81 O ATOM 426 CB LEU A 27 14.548 -6.537 -2.132 1.00 0.93 C ATOM 427 CG LEU A 27 15.109 -7.327 -0.950 1.00 1.28 C ATOM 428 CD1 LEU A 27 16.571 -7.674 -1.181 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.942 -6.548 0.344 1.00 1.62 C ATOM 0 H LEU A 27 15.902 -6.193 -4.385 1.00 0.95 H new ATOM 0 HA LEU A 27 14.369 -8.385 -3.141 1.00 0.82 H new ATOM 0 HB2 LEU A 27 15.183 -5.668 -2.307 1.00 0.93 H new ATOM 0 HB3 LEU A 27 13.560 -6.161 -1.866 1.00 0.93 H new ATOM 0 HG LEU A 27 14.547 -8.257 -0.864 1.00 1.28 H new ATOM 0 HD11 LEU A 27 16.951 -8.236 -0.328 1.00 2.28 H new ATOM 0 HD12 LEU A 27 16.663 -8.278 -2.084 1.00 2.28 H new ATOM 0 HD13 LEU A 27 17.149 -6.757 -1.297 1.00 2.28 H new ATOM 0 HD21 LEU A 27 15.348 -7.128 1.173 1.00 1.62 H new ATOM 0 HD22 LEU A 27 15.475 -5.600 0.269 1.00 1.62 H new ATOM 0 HD23 LEU A 27 13.883 -6.356 0.519 1.00 1.62 H new ATOM 441 N ILE A 28 12.348 -7.924 -4.419 1.00 0.57 N ATOM 442 CA ILE A 28 11.208 -7.742 -5.276 1.00 0.52 C ATOM 443 C ILE A 28 9.988 -7.382 -4.454 1.00 0.44 C ATOM 444 O ILE A 28 9.640 -8.058 -3.475 1.00 0.43 O ATOM 445 CB ILE A 28 10.915 -9.011 -6.126 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.852 -9.093 -7.342 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.459 -9.049 -6.580 1.00 0.47 C ATOM 448 CD1 ILE A 28 13.312 -9.320 -6.997 1.00 0.80 C ATOM 0 H ILE A 28 12.422 -8.853 -4.004 1.00 0.57 H new ATOM 0 HA ILE A 28 11.441 -6.927 -5.961 1.00 0.52 H new ATOM 0 HB ILE A 28 11.099 -9.877 -5.490 1.00 0.53 H new ATOM 0 HG12 ILE A 28 11.515 -9.902 -7.991 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.766 -8.169 -7.914 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.286 -9.948 -7.172 1.00 0.47 H new ATOM 0 HG22 ILE A 28 8.806 -9.058 -5.707 1.00 0.47 H new ATOM 0 HG23 ILE A 28 9.244 -8.169 -7.186 1.00 0.47 H new ATOM 0 HD11 ILE A 28 13.900 -9.365 -7.914 1.00 0.80 H new ATOM 0 HD12 ILE A 28 13.671 -8.500 -6.375 1.00 0.80 H new ATOM 0 HD13 ILE A 28 13.416 -10.259 -6.453 1.00 0.80 H new ATOM 460 N LEU A 29 9.376 -6.284 -4.844 1.00 0.51 N ATOM 461 CA LEU A 29 8.133 -5.847 -4.272 1.00 0.55 C ATOM 462 C LEU A 29 7.023 -6.174 -5.254 1.00 0.73 C ATOM 463 O LEU A 29 6.932 -5.574 -6.325 1.00 1.74 O ATOM 464 CB LEU A 29 8.161 -4.344 -3.940 1.00 0.71 C ATOM 465 CG LEU A 29 8.690 -3.403 -5.033 1.00 0.74 C ATOM 466 CD1 LEU A 29 8.096 -2.017 -4.858 1.00 1.28 C ATOM 467 CD2 LEU A 29 10.211 -3.308 -4.988 1.00 1.33 C ATOM 0 H LEU A 29 9.735 -5.669 -5.574 1.00 0.51 H new ATOM 0 HA LEU A 29 7.960 -6.366 -3.329 1.00 0.55 H new ATOM 0 HB2 LEU A 29 7.148 -4.033 -3.686 1.00 0.71 H new ATOM 0 HB3 LEU A 29 8.771 -4.205 -3.047 1.00 0.71 H new ATOM 0 HG LEU A 29 8.394 -3.812 -5.999 1.00 0.74 H new ATOM 0 HD11 LEU A 29 8.477 -1.357 -5.637 1.00 1.28 H new ATOM 0 HD12 LEU A 29 7.010 -2.075 -4.930 1.00 1.28 H new ATOM 0 HD13 LEU A 29 8.374 -1.623 -3.881 1.00 1.28 H new ATOM 0 HD21 LEU A 29 10.557 -2.635 -5.773 1.00 1.33 H new ATOM 0 HD22 LEU A 29 10.523 -2.924 -4.017 1.00 1.33 H new ATOM 0 HD23 LEU A 29 10.642 -4.297 -5.142 1.00 1.33 H new ATOM 479 N GLY A 30 6.206 -7.154 -4.899 1.00 0.40 N ATOM 480 CA GLY A 30 5.172 -7.627 -5.798 1.00 0.32 C ATOM 481 C GLY A 30 3.976 -6.710 -5.838 1.00 0.35 C ATOM 482 O GLY A 30 2.849 -7.161 -5.763 1.00 0.69 O ATOM 0 H GLY A 30 6.241 -7.633 -3.999 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.585 -7.724 -6.802 1.00 0.32 H new ATOM 0 HA3 GLY A 30 4.853 -8.622 -5.487 1.00 0.32 H new ATOM 486 N PHE A 31 4.248 -5.431 -5.897 1.00 0.29 N ATOM 487 CA PHE A 31 3.253 -4.392 -6.002 1.00 0.28 C ATOM 488 C PHE A 31 3.946 -3.151 -6.544 1.00 0.31 C ATOM 489 O PHE A 31 5.124 -2.949 -6.254 1.00 0.42 O ATOM 490 CB PHE A 31 2.620 -4.117 -4.632 1.00 0.28 C ATOM 491 CG PHE A 31 3.615 -3.808 -3.540 1.00 0.32 C ATOM 492 CD1 PHE A 31 4.170 -4.825 -2.779 1.00 0.33 C ATOM 493 CD2 PHE A 31 3.988 -2.501 -3.273 1.00 0.42 C ATOM 494 CE1 PHE A 31 5.079 -4.547 -1.778 1.00 0.42 C ATOM 495 CE2 PHE A 31 4.895 -2.215 -2.272 1.00 0.50 C ATOM 496 CZ PHE A 31 5.443 -3.238 -1.524 1.00 0.51 C ATOM 0 H PHE A 31 5.202 -5.071 -5.872 1.00 0.29 H new ATOM 0 HA PHE A 31 2.448 -4.694 -6.672 1.00 0.28 H new ATOM 0 HB2 PHE A 31 1.929 -3.279 -4.726 1.00 0.28 H new ATOM 0 HB3 PHE A 31 2.031 -4.985 -4.336 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.887 -5.849 -2.972 1.00 0.33 H new ATOM 0 HD2 PHE A 31 3.564 -1.696 -3.855 1.00 0.42 H new ATOM 0 HE1 PHE A 31 5.505 -5.350 -1.195 1.00 0.42 H new ATOM 0 HE2 PHE A 31 5.176 -1.191 -2.074 1.00 0.50 H new ATOM 0 HZ PHE A 31 6.154 -3.016 -0.742 1.00 0.51 H new ATOM 506 N SER A 32 3.272 -2.320 -7.326 1.00 0.25 N ATOM 507 CA SER A 32 3.920 -1.108 -7.761 1.00 0.23 C ATOM 508 C SER A 32 3.381 0.024 -6.922 1.00 0.23 C ATOM 509 O SER A 32 2.362 -0.140 -6.280 1.00 0.29 O ATOM 510 CB SER A 32 3.703 -0.866 -9.246 1.00 0.25 C ATOM 511 OG SER A 32 4.880 -0.385 -9.875 1.00 0.53 O ATOM 0 H SER A 32 2.317 -2.459 -7.657 1.00 0.25 H new ATOM 0 HA SER A 32 4.999 -1.186 -7.626 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.388 -1.793 -9.724 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.896 -0.146 -9.384 1.00 0.25 H new ATOM 0 HG SER A 32 4.706 -0.242 -10.829 1.00 0.53 H new ATOM 517 N ILE A 33 4.032 1.159 -6.900 1.00 0.23 N ATOM 518 CA ILE A 33 3.678 2.159 -5.913 1.00 0.25 C ATOM 519 C ILE A 33 4.020 3.572 -6.351 1.00 0.25 C ATOM 520 O ILE A 33 5.064 3.811 -6.958 1.00 0.32 O ATOM 521 CB ILE A 33 4.420 1.876 -4.578 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.367 3.099 -3.641 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.862 1.468 -4.855 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.444 3.118 -2.574 1.00 0.37 C ATOM 0 H ILE A 33 4.790 1.414 -7.533 1.00 0.23 H new ATOM 0 HA ILE A 33 2.597 2.093 -5.787 1.00 0.25 H new ATOM 0 HB ILE A 33 3.915 1.052 -4.074 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.451 4.005 -4.241 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.391 3.128 -3.156 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.372 1.272 -3.912 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.874 0.567 -5.468 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.373 2.273 -5.384 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.332 4.012 -1.960 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.349 2.232 -1.946 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.426 3.123 -3.048 1.00 0.37 H new ATOM 536 N GLY A 34 3.127 4.499 -6.052 1.00 0.26 N ATOM 537 CA GLY A 34 3.531 5.870 -5.899 1.00 0.43 C ATOM 538 C GLY A 34 2.779 6.499 -4.760 1.00 0.30 C ATOM 539 O GLY A 34 1.558 6.503 -4.728 1.00 0.72 O ATOM 0 H GLY A 34 2.132 4.323 -5.913 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.604 5.924 -5.712 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.340 6.420 -6.821 1.00 0.43 H new ATOM 543 N GLY A 35 3.515 6.916 -3.770 1.00 0.77 N ATOM 544 CA GLY A 35 2.963 7.713 -2.703 1.00 0.93 C ATOM 545 C GLY A 35 3.927 8.766 -2.246 1.00 0.73 C ATOM 546 O GLY A 35 5.005 8.408 -1.801 1.00 1.42 O ATOM 0 H GLY A 35 4.511 6.716 -3.676 1.00 0.77 H new ATOM 0 HA2 GLY A 35 2.040 8.185 -3.041 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.703 7.068 -1.864 1.00 0.93 H new ATOM 550 N GLY A 36 3.624 10.026 -2.362 1.00 0.40 N ATOM 551 CA GLY A 36 4.543 10.989 -1.807 1.00 0.39 C ATOM 552 C GLY A 36 3.969 12.380 -1.707 1.00 0.35 C ATOM 553 O GLY A 36 3.245 12.810 -2.607 1.00 0.48 O ATOM 0 H GLY A 36 2.790 10.404 -2.812 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.848 10.658 -0.814 1.00 0.39 H new ATOM 0 HA3 GLY A 36 5.442 11.019 -2.423 1.00 0.39 H new ATOM 557 N ILE A 37 4.291 13.097 -0.633 1.00 0.37 N ATOM 558 CA ILE A 37 4.335 14.550 -0.715 1.00 0.41 C ATOM 559 C ILE A 37 5.399 14.913 -1.727 1.00 0.38 C ATOM 560 O ILE A 37 5.443 16.017 -2.259 1.00 0.46 O ATOM 561 CB ILE A 37 4.692 15.203 0.622 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.914 14.502 1.220 1.00 0.47 C ATOM 563 CG2 ILE A 37 3.500 15.171 1.561 1.00 0.52 C ATOM 564 CD1 ILE A 37 6.396 15.117 2.515 1.00 0.49 C ATOM 0 H ILE A 37 4.520 12.706 0.281 1.00 0.37 H new ATOM 0 HA ILE A 37 3.347 14.911 -1.000 1.00 0.41 H new ATOM 0 HB ILE A 37 4.947 16.251 0.465 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.671 13.454 1.394 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.726 14.524 0.493 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.770 15.639 2.508 1.00 0.52 H new ATOM 0 HG22 ILE A 37 2.668 15.714 1.112 1.00 0.52 H new ATOM 0 HG23 ILE A 37 3.205 14.137 1.739 1.00 0.52 H new ATOM 0 HD11 ILE A 37 7.264 14.567 2.878 1.00 0.49 H new ATOM 0 HD12 ILE A 37 6.672 16.158 2.343 1.00 0.49 H new ATOM 0 HD13 ILE A 37 5.600 15.070 3.258 1.00 0.49 H new ATOM 576 N ASP A 38 6.276 13.944 -1.945 1.00 0.35 N ATOM 577 CA ASP A 38 7.258 13.997 -2.998 1.00 0.40 C ATOM 578 C ASP A 38 6.560 14.125 -4.348 1.00 0.56 C ATOM 579 O ASP A 38 6.958 14.916 -5.201 1.00 0.69 O ATOM 580 CB ASP A 38 8.094 12.724 -2.984 1.00 0.39 C ATOM 581 CG ASP A 38 8.808 12.457 -4.288 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.815 13.143 -4.546 1.00 0.68 O ATOM 583 OD2 ASP A 38 8.352 11.595 -5.056 1.00 0.72 O ATOM 0 H ASP A 38 6.320 13.093 -1.385 1.00 0.35 H new ATOM 0 HA ASP A 38 7.904 14.860 -2.839 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.830 12.791 -2.183 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.448 11.877 -2.753 1.00 0.39 H new ATOM 588 N GLN A 39 5.497 13.324 -4.515 1.00 0.63 N ATOM 589 CA GLN A 39 4.728 13.289 -5.755 1.00 0.85 C ATOM 590 C GLN A 39 4.058 14.647 -5.994 1.00 0.93 C ATOM 591 O GLN A 39 4.435 15.365 -6.922 1.00 1.19 O ATOM 592 CB GLN A 39 3.685 12.161 -5.710 1.00 0.98 C ATOM 593 CG GLN A 39 4.268 10.773 -5.454 1.00 1.00 C ATOM 594 CD GLN A 39 5.131 10.254 -6.595 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.637 9.593 -7.510 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.426 10.526 -6.544 1.00 0.82 N ATOM 0 H GLN A 39 5.153 12.688 -3.795 1.00 0.63 H new ATOM 0 HA GLN A 39 5.404 13.087 -6.586 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.958 12.386 -4.930 1.00 0.98 H new ATOM 0 HB3 GLN A 39 3.143 12.146 -6.656 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.865 10.801 -4.542 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.452 10.072 -5.279 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.802 11.076 -5.772 1.00 0.82 H new ATOM 0 HE22 GLN A 39 7.048 10.185 -7.277 1.00 0.82 H new ATOM 815 N GLY A 54 -0.554 10.983 -0.093 1.00 0.78 N ATOM 816 CA GLY A 54 -0.143 9.926 0.807 1.00 0.65 C ATOM 817 C GLY A 54 0.708 8.923 0.072 1.00 0.53 C ATOM 818 O GLY A 54 1.298 9.263 -0.956 1.00 0.57 O ATOM 0 HA2 GLY A 54 0.416 10.346 1.643 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -1.020 9.433 1.226 1.00 0.65 H new ATOM 822 N ILE A 55 0.796 7.689 0.560 1.00 0.48 N ATOM 823 CA ILE A 55 1.500 6.676 -0.193 1.00 0.40 C ATOM 824 C ILE A 55 0.499 5.616 -0.568 1.00 0.33 C ATOM 825 O ILE A 55 -0.324 5.278 0.248 1.00 0.43 O ATOM 826 CB ILE A 55 2.712 6.087 0.584 1.00 0.46 C ATOM 827 CG1 ILE A 55 3.928 7.013 0.460 1.00 0.51 C ATOM 828 CG2 ILE A 55 3.085 4.708 0.061 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.859 8.320 1.228 1.00 0.54 C ATOM 0 H ILE A 55 0.399 7.380 1.447 1.00 0.48 H new ATOM 0 HA ILE A 55 1.933 7.120 -1.089 1.00 0.40 H new ATOM 0 HB ILE A 55 2.419 6.001 1.630 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.810 6.466 0.794 1.00 0.51 H new ATOM 0 HG13 ILE A 55 4.076 7.244 -0.595 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.935 4.323 0.624 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.237 4.033 0.178 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.350 4.778 -0.994 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.774 8.888 1.062 1.00 0.54 H new ATOM 0 HD12 ILE A 55 3.004 8.901 0.882 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.749 8.111 2.292 1.00 0.54 H new ATOM 841 N TYR A 56 0.496 5.142 -1.808 1.00 0.25 N ATOM 842 CA TYR A 56 -0.500 4.165 -2.201 1.00 0.23 C ATOM 843 C TYR A 56 0.005 3.277 -3.320 1.00 0.18 C ATOM 844 O TYR A 56 0.845 3.672 -4.134 1.00 0.28 O ATOM 845 CB TYR A 56 -1.845 4.824 -2.555 1.00 0.36 C ATOM 846 CG TYR A 56 -1.769 5.975 -3.517 1.00 0.32 C ATOM 847 CD1 TYR A 56 -0.959 7.066 -3.259 1.00 0.67 C ATOM 848 CD2 TYR A 56 -2.516 5.967 -4.676 1.00 0.83 C ATOM 849 CE1 TYR A 56 -0.890 8.129 -4.130 1.00 0.90 C ATOM 850 CE2 TYR A 56 -2.464 7.027 -5.561 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.646 8.106 -5.287 1.00 1.01 C ATOM 852 OH TYR A 56 -1.603 9.165 -6.162 1.00 1.42 O ATOM 0 H TYR A 56 1.155 5.412 -2.538 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.681 3.526 -1.337 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.502 4.064 -2.977 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.312 5.173 -1.634 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -0.368 7.084 -2.355 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -3.150 5.121 -4.895 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -0.252 8.973 -3.912 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -3.060 7.012 -6.462 1.00 1.14 H new ATOM 0 HH TYR A 56 -2.193 8.985 -6.923 1.00 1.42 H new ATOM 862 N VAL A 57 -0.505 2.062 -3.328 1.00 0.18 N ATOM 863 CA VAL A 57 0.013 1.022 -4.180 1.00 0.17 C ATOM 864 C VAL A 57 -0.748 0.956 -5.488 1.00 0.16 C ATOM 865 O VAL A 57 -1.977 1.023 -5.514 1.00 0.22 O ATOM 866 CB VAL A 57 -0.014 -0.350 -3.460 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.411 -0.906 -3.296 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.869 -1.356 -4.161 1.00 0.58 C ATOM 0 H VAL A 57 -1.289 1.773 -2.743 1.00 0.18 H new ATOM 0 HA VAL A 57 1.051 1.266 -4.407 1.00 0.17 H new ATOM 0 HB VAL A 57 0.379 -0.169 -2.459 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.362 -1.868 -2.785 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.012 -0.213 -2.708 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -1.867 -1.039 -4.277 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.828 -2.308 -3.631 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.521 -1.495 -5.184 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.896 -0.992 -4.174 1.00 0.58 H new ATOM 878 N THR A 58 0.009 0.872 -6.565 1.00 0.17 N ATOM 879 CA THR A 58 -0.531 0.682 -7.888 1.00 0.24 C ATOM 880 C THR A 58 0.091 -0.562 -8.518 1.00 0.38 C ATOM 881 O THR A 58 1.000 -0.467 -9.322 1.00 1.11 O ATOM 882 CB THR A 58 -0.285 1.902 -8.795 1.00 0.39 C ATOM 883 OG1 THR A 58 -0.769 3.090 -8.153 1.00 0.83 O ATOM 884 CG2 THR A 58 -0.983 1.721 -10.137 1.00 0.69 C ATOM 0 H THR A 58 1.027 0.935 -6.541 1.00 0.17 H new ATOM 0 HA THR A 58 -1.610 0.557 -7.792 1.00 0.24 H new ATOM 0 HB THR A 58 0.787 1.995 -8.970 1.00 0.39 H new ATOM 0 HG1 THR A 58 -0.609 3.864 -8.733 1.00 0.83 H new ATOM 0 HG21 THR A 58 -0.798 2.593 -10.764 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.596 0.830 -10.631 1.00 0.69 H new ATOM 0 HG23 THR A 58 -2.056 1.610 -9.977 1.00 0.69 H new ATOM 892 N ARG A 59 -0.300 -1.705 -7.977 1.00 0.31 N ATOM 893 CA ARG A 59 -0.141 -3.029 -8.581 1.00 0.26 C ATOM 894 C ARG A 59 -0.034 -4.094 -7.518 1.00 0.26 C ATOM 895 O ARG A 59 -0.126 -3.803 -6.323 1.00 0.27 O ATOM 896 CB ARG A 59 1.063 -3.156 -9.508 1.00 0.26 C ATOM 897 CG ARG A 59 0.718 -2.899 -10.951 1.00 0.34 C ATOM 898 CD ARG A 59 1.838 -3.365 -11.861 1.00 0.45 C ATOM 899 NE ARG A 59 1.499 -3.262 -13.277 1.00 1.06 N ATOM 900 CZ ARG A 59 2.185 -3.876 -14.238 1.00 1.50 C ATOM 901 NH1 ARG A 59 3.266 -4.593 -13.931 1.00 1.52 N ATOM 902 NH2 ARG A 59 1.808 -3.750 -15.506 1.00 2.27 N ATOM 0 H ARG A 59 -0.757 -1.743 -7.066 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.036 -3.166 -9.187 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.834 -2.453 -9.193 1.00 0.26 H new ATOM 0 HB3 ARG A 59 1.485 -4.156 -9.413 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.205 -3.418 -11.207 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.538 -1.835 -11.103 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.731 -2.773 -11.662 1.00 0.45 H new ATOM 0 HD3 ARG A 59 2.084 -4.401 -11.626 1.00 0.45 H new ATOM 0 HE ARG A 59 0.697 -2.691 -13.543 1.00 1.06 H new ATOM 0 HH11 ARG A 59 3.567 -4.671 -12.960 1.00 1.52 H new ATOM 0 HH12 ARG A 59 3.792 -5.064 -14.667 1.00 1.52 H new ATOM 0 HH21 ARG A 59 0.994 -3.183 -15.742 1.00 2.27 H new ATOM 0 HH22 ARG A 59 2.333 -4.220 -16.243 1.00 2.27 H new ATOM 916 N VAL A 60 0.054 -5.324 -8.005 1.00 0.26 N ATOM 917 CA VAL A 60 0.500 -6.492 -7.260 1.00 0.27 C ATOM 918 C VAL A 60 0.890 -7.555 -8.278 1.00 0.36 C ATOM 919 O VAL A 60 0.212 -7.716 -9.292 1.00 0.51 O ATOM 920 CB VAL A 60 -0.543 -7.128 -6.298 1.00 0.33 C ATOM 921 CG1 VAL A 60 0.067 -8.352 -5.647 1.00 0.83 C ATOM 922 CG2 VAL A 60 -1.004 -6.174 -5.215 1.00 0.75 C ATOM 0 H VAL A 60 -0.194 -5.544 -8.970 1.00 0.26 H new ATOM 0 HA VAL A 60 1.316 -6.147 -6.624 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.416 -7.390 -6.895 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.658 -8.804 -4.971 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.344 -9.073 -6.416 1.00 0.83 H new ATOM 0 HG13 VAL A 60 0.955 -8.061 -5.085 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.731 -6.674 -4.575 1.00 0.75 H new ATOM 0 HG22 VAL A 60 -0.148 -5.862 -4.617 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.465 -5.299 -5.673 1.00 0.75 H new ATOM 932 N SER A 61 1.989 -8.249 -8.028 1.00 0.45 N ATOM 933 CA SER A 61 2.422 -9.318 -8.906 1.00 0.56 C ATOM 934 C SER A 61 1.756 -10.619 -8.537 1.00 0.56 C ATOM 935 O SER A 61 1.857 -11.090 -7.397 1.00 0.64 O ATOM 936 CB SER A 61 3.927 -9.504 -8.852 1.00 0.72 C ATOM 937 OG SER A 61 4.357 -9.823 -7.541 1.00 1.65 O ATOM 0 H SER A 61 2.596 -8.089 -7.224 1.00 0.45 H new ATOM 0 HA SER A 61 2.135 -9.034 -9.919 1.00 0.56 H new ATOM 0 HB2 SER A 61 4.223 -10.298 -9.538 1.00 0.72 H new ATOM 0 HB3 SER A 61 4.421 -8.592 -9.188 1.00 0.72 H new ATOM 0 HG SER A 61 3.682 -10.381 -7.102 1.00 1.65 H new ATOM 943 N GLU A 62 1.081 -11.174 -9.511 1.00 0.68 N ATOM 944 CA GLU A 62 0.518 -12.502 -9.430 1.00 0.73 C ATOM 945 C GLU A 62 1.531 -13.516 -8.926 1.00 0.74 C ATOM 946 O GLU A 62 2.576 -13.743 -9.548 1.00 0.84 O ATOM 947 CB GLU A 62 0.062 -12.892 -10.815 1.00 0.86 C ATOM 948 CG GLU A 62 -1.286 -12.308 -11.198 1.00 1.45 C ATOM 949 CD GLU A 62 -1.497 -12.261 -12.698 1.00 1.62 C ATOM 950 OE1 GLU A 62 -1.700 -13.326 -13.315 1.00 1.75 O ATOM 951 OE2 GLU A 62 -1.463 -11.153 -13.275 1.00 1.85 O ATOM 0 H GLU A 62 0.903 -10.708 -10.401 1.00 0.68 H new ATOM 0 HA GLU A 62 -0.312 -12.495 -8.724 1.00 0.73 H new ATOM 0 HB2 GLU A 62 0.809 -12.566 -11.539 1.00 0.86 H new ATOM 0 HB3 GLU A 62 0.009 -13.979 -10.878 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -2.078 -12.902 -10.742 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -1.370 -11.300 -10.791 1.00 1.45 H new ATOM 958 N GLY A 63 1.231 -14.101 -7.782 1.00 0.76 N ATOM 959 CA GLY A 63 2.039 -15.181 -7.275 1.00 0.86 C ATOM 960 C GLY A 63 3.336 -14.714 -6.652 1.00 0.80 C ATOM 961 O GLY A 63 4.234 -15.519 -6.415 1.00 0.92 O ATOM 0 H GLY A 63 0.438 -13.845 -7.193 1.00 0.76 H new ATOM 0 HA2 GLY A 63 1.466 -15.737 -6.533 1.00 0.86 H new ATOM 0 HA3 GLY A 63 2.262 -15.872 -8.088 1.00 0.86 H new ATOM 965 N GLY A 64 3.459 -13.412 -6.418 1.00 0.67 N ATOM 966 CA GLY A 64 4.624 -12.910 -5.719 1.00 0.66 C ATOM 967 C GLY A 64 4.422 -12.939 -4.229 1.00 0.63 C ATOM 968 O GLY A 64 4.009 -13.946 -3.678 1.00 0.99 O ATOM 0 H GLY A 64 2.780 -12.703 -6.697 1.00 0.67 H new ATOM 0 HA2 GLY A 64 5.495 -13.510 -5.982 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.832 -11.889 -6.040 1.00 0.66 H new ATOM 972 N PRO A 65 4.742 -11.846 -3.544 1.00 0.37 N ATOM 973 CA PRO A 65 4.548 -11.739 -2.113 1.00 0.27 C ATOM 974 C PRO A 65 3.317 -10.951 -1.675 1.00 0.23 C ATOM 975 O PRO A 65 2.591 -11.360 -0.768 1.00 0.29 O ATOM 976 CB PRO A 65 5.820 -11.028 -1.707 1.00 0.32 C ATOM 977 CG PRO A 65 6.208 -10.163 -2.879 1.00 0.43 C ATOM 978 CD PRO A 65 5.440 -10.672 -4.078 1.00 0.44 C ATOM 0 HA PRO A 65 4.369 -12.711 -1.652 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.661 -10.425 -0.813 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.608 -11.743 -1.473 1.00 0.32 H new ATOM 0 HG2 PRO A 65 5.968 -9.118 -2.683 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.282 -10.216 -3.058 1.00 0.43 H new ATOM 0 HD2 PRO A 65 4.743 -9.925 -4.458 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.104 -10.936 -4.901 1.00 0.44 H new ATOM 986 N ALA A 66 3.084 -9.838 -2.329 1.00 0.22 N ATOM 987 CA ALA A 66 2.043 -8.911 -1.944 1.00 0.24 C ATOM 988 C ALA A 66 0.657 -9.525 -2.081 1.00 0.29 C ATOM 989 O ALA A 66 -0.271 -9.163 -1.361 1.00 0.36 O ATOM 990 CB ALA A 66 2.182 -7.688 -2.804 1.00 0.27 C ATOM 0 H ALA A 66 3.615 -9.547 -3.150 1.00 0.22 H new ATOM 0 HA ALA A 66 2.154 -8.650 -0.891 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.409 -6.967 -2.538 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.164 -7.242 -2.647 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.074 -7.966 -3.852 1.00 0.27 H new ATOM 996 N GLU A 67 0.540 -10.480 -2.985 1.00 0.30 N ATOM 997 CA GLU A 67 -0.717 -11.165 -3.229 1.00 0.42 C ATOM 998 C GLU A 67 -1.034 -12.064 -2.043 1.00 0.39 C ATOM 999 O GLU A 67 -2.189 -12.244 -1.660 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.588 -11.993 -4.506 1.00 0.53 C ATOM 1001 CG GLU A 67 -1.808 -12.827 -4.848 1.00 0.77 C ATOM 1002 CD GLU A 67 -1.551 -13.726 -6.039 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -0.921 -14.786 -5.865 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -2.013 -13.391 -7.148 1.00 1.79 O ATOM 0 H GLU A 67 1.311 -10.802 -3.570 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.526 -10.444 -3.350 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -0.379 -11.321 -5.339 1.00 0.53 H new ATOM 0 HB3 GLU A 67 0.272 -12.656 -4.408 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -2.088 -13.434 -3.987 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -2.651 -12.170 -5.062 1.00 0.77 H new ATOM 1011 N ILE A 68 0.027 -12.589 -1.454 1.00 0.31 N ATOM 1012 CA ILE A 68 -0.076 -13.521 -0.338 1.00 0.31 C ATOM 1013 C ILE A 68 -0.536 -12.798 0.926 1.00 0.28 C ATOM 1014 O ILE A 68 -1.361 -13.310 1.686 1.00 0.34 O ATOM 1015 CB ILE A 68 1.283 -14.233 -0.093 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.555 -15.288 -1.178 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.324 -14.874 1.284 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.473 -14.756 -2.589 1.00 0.51 C ATOM 0 H ILE A 68 0.986 -12.383 -1.734 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.820 -14.277 -0.592 1.00 0.31 H new ATOM 0 HB ILE A 68 2.065 -13.475 -0.143 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.547 -15.711 -1.018 1.00 0.39 H new ATOM 0 HG13 ILE A 68 0.839 -16.102 -1.066 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.286 -15.365 1.428 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.190 -14.107 2.047 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.525 -15.611 1.366 1.00 0.32 H new ATOM 0 HD11 ILE A 68 1.677 -15.562 -3.294 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.474 -14.359 -2.771 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.208 -13.962 -2.722 1.00 0.51 H new ATOM 1030 N ALA A 69 -0.012 -11.596 1.139 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.419 -10.785 2.279 1.00 0.24 C ATOM 1032 C ALA A 69 -1.772 -10.130 2.017 1.00 0.31 C ATOM 1033 O ALA A 69 -2.431 -9.646 2.942 1.00 0.41 O ATOM 1034 CB ALA A 69 0.635 -9.737 2.598 1.00 0.24 C ATOM 0 H ALA A 69 0.692 -11.164 0.540 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.519 -11.439 3.145 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.310 -9.143 3.452 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.578 -10.230 2.836 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.774 -9.086 1.735 1.00 0.24 H new ATOM 1040 N GLY A 70 -2.190 -10.119 0.755 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.521 -9.640 0.433 1.00 0.41 C ATOM 1042 C GLY A 70 -3.576 -8.173 0.048 1.00 0.36 C ATOM 1043 O GLY A 70 -4.424 -7.429 0.545 1.00 0.45 O ATOM 0 H GLY A 70 -1.637 -10.430 -0.043 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.921 -10.235 -0.388 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -4.172 -9.804 1.292 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.687 -7.757 -0.836 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.699 -6.390 -1.344 1.00 0.30 C ATOM 1049 C LEU A 71 -3.417 -6.368 -2.687 1.00 0.24 C ATOM 1050 O LEU A 71 -3.395 -7.360 -3.416 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.265 -5.874 -1.465 1.00 0.38 C ATOM 1052 CG LEU A 71 -1.123 -4.367 -1.675 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.808 -3.602 -0.553 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.345 -3.985 -1.756 1.00 0.87 C ATOM 0 H LEU A 71 -1.946 -8.344 -1.219 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.232 -5.733 -0.657 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.721 -6.150 -0.562 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.782 -6.386 -2.297 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.607 -4.102 -2.615 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.695 -2.531 -0.721 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.868 -3.857 -0.533 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.353 -3.869 0.401 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.433 -2.909 -1.906 1.00 0.87 H new ATOM 0 HD22 LEU A 71 0.845 -4.265 -0.829 1.00 0.87 H new ATOM 0 HD23 LEU A 71 0.811 -4.507 -2.592 1.00 0.87 H new ATOM 1066 N GLN A 72 -4.061 -5.253 -3.016 1.00 0.24 N ATOM 1067 CA GLN A 72 -5.022 -5.242 -4.110 1.00 0.33 C ATOM 1068 C GLN A 72 -4.713 -4.239 -5.215 1.00 0.25 C ATOM 1069 O GLN A 72 -5.641 -3.709 -5.830 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.384 -4.945 -3.537 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.780 -5.930 -2.462 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.850 -5.391 -1.547 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -7.782 -4.110 -1.249 1.00 1.21 O flip ATOM 1074 NE2 GLN A 72 -8.704 -6.131 -1.068 1.00 0.64 N flip ATOM 0 H GLN A 72 -3.937 -4.356 -2.547 1.00 0.24 H new ATOM 0 HA GLN A 72 -4.975 -6.224 -4.581 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.390 -3.937 -3.123 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -7.125 -4.966 -4.336 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -7.136 -6.848 -2.929 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -5.901 -6.192 -1.873 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -8.725 -7.118 -1.323 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -9.393 -5.759 -0.415 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.432 -3.985 -5.495 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.063 -3.290 -6.720 1.00 0.26 C ATOM 1085 C ILE A 73 -3.425 -1.789 -6.700 1.00 0.23 C ATOM 1086 O ILE A 73 -3.061 -1.051 -7.614 1.00 0.31 O ATOM 1087 CB ILE A 73 -3.750 -4.004 -7.922 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.378 -5.493 -7.919 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -3.373 -3.373 -9.244 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -4.024 -6.298 -9.026 1.00 0.77 C ATOM 0 H ILE A 73 -2.648 -4.247 -4.898 1.00 0.24 H new ATOM 0 HA ILE A 73 -1.978 -3.332 -6.817 1.00 0.26 H new ATOM 0 HB ILE A 73 -4.828 -3.895 -7.806 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -2.295 -5.585 -8.003 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -3.661 -5.924 -6.959 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -3.874 -3.901 -10.055 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -3.680 -2.327 -9.248 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.294 -3.435 -9.382 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.708 -7.339 -8.951 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -5.108 -6.240 -8.933 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -3.721 -5.896 -9.993 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.034 -1.315 -5.619 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.689 -0.014 -5.661 1.00 0.25 C ATOM 1104 C GLY A 74 -5.174 0.419 -4.299 1.00 0.29 C ATOM 1105 O GLY A 74 -6.333 0.795 -4.120 1.00 0.37 O ATOM 0 H GLY A 74 -4.088 -1.799 -4.723 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -3.994 0.729 -6.052 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.533 -0.055 -6.350 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.270 0.383 -3.347 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.602 0.621 -1.949 1.00 0.34 C ATOM 1111 C ASP A 75 -3.824 1.806 -1.410 1.00 0.30 C ATOM 1112 O ASP A 75 -2.701 2.054 -1.830 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.325 -0.619 -1.100 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.253 -1.771 -1.424 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.470 -1.649 -1.172 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -4.762 -2.806 -1.922 1.00 0.89 O ATOM 0 H ASP A 75 -3.283 0.189 -3.513 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.667 0.845 -1.893 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.293 -0.935 -1.253 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.427 -0.362 -0.046 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.411 2.508 -0.458 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.848 3.748 0.063 1.00 0.28 C ATOM 1123 C LYS A 76 -3.029 3.478 1.326 1.00 0.28 C ATOM 1124 O LYS A 76 -3.574 3.333 2.405 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.973 4.751 0.383 1.00 0.34 C ATOM 1126 CG LYS A 76 -5.862 5.162 -0.799 1.00 0.74 C ATOM 1127 CD LYS A 76 -6.656 3.992 -1.367 1.00 1.17 C ATOM 1128 CE LYS A 76 -7.696 4.435 -2.377 1.00 1.55 C ATOM 1129 NZ LYS A 76 -8.984 4.788 -1.729 1.00 2.20 N ATOM 0 H LYS A 76 -5.292 2.237 -0.022 1.00 0.30 H new ATOM 0 HA LYS A 76 -3.194 4.172 -0.699 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.608 4.320 1.157 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.523 5.650 0.804 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -6.551 5.942 -0.477 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -5.240 5.591 -1.585 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -5.972 3.287 -1.840 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -7.148 3.461 -0.552 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -7.321 5.296 -2.930 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -7.861 3.637 -3.101 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -9.673 5.069 -2.456 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -9.347 3.965 -1.208 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -8.836 5.578 -1.069 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.725 3.447 1.182 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.816 3.097 2.271 1.00 0.27 C ATOM 1145 C ILE A 77 -0.711 4.199 3.317 1.00 0.25 C ATOM 1146 O ILE A 77 -0.355 5.368 3.007 1.00 0.29 O ATOM 1147 CB ILE A 77 0.584 2.802 1.729 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.531 1.624 0.767 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.591 2.561 2.857 1.00 0.38 C ATOM 1150 CD1 ILE A 77 1.241 1.907 -0.529 1.00 0.49 C ATOM 0 H ILE A 77 -1.253 3.664 0.304 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.233 2.209 2.747 1.00 0.27 H new ATOM 0 HB ILE A 77 0.931 3.680 1.184 1.00 0.31 H new ATOM 0 HG12 ILE A 77 0.980 0.751 1.241 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.510 1.374 0.561 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.573 2.355 2.430 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.649 3.447 3.489 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.270 1.709 3.456 1.00 0.38 H new ATOM 0 HD11 ILE A 77 1.173 1.035 -1.179 1.00 0.49 H new ATOM 0 HD12 ILE A 77 0.776 2.762 -1.020 1.00 0.49 H new ATOM 0 HD13 ILE A 77 2.289 2.130 -0.329 1.00 0.49 H new ATOM 1162 N MET A 78 -1.028 3.788 4.551 1.00 0.22 N ATOM 1163 CA MET A 78 -0.948 4.622 5.736 1.00 0.24 C ATOM 1164 C MET A 78 0.416 4.539 6.410 1.00 0.24 C ATOM 1165 O MET A 78 0.766 5.409 7.204 1.00 0.30 O ATOM 1166 CB MET A 78 -2.013 4.198 6.758 1.00 0.33 C ATOM 1167 CG MET A 78 -3.435 4.115 6.217 1.00 0.32 C ATOM 1168 SD MET A 78 -4.147 5.725 5.825 1.00 0.75 S ATOM 1169 CE MET A 78 -3.155 6.163 4.407 1.00 1.06 C ATOM 0 H MET A 78 -1.354 2.842 4.748 1.00 0.22 H new ATOM 0 HA MET A 78 -1.114 5.647 5.406 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.738 3.224 7.163 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.998 4.904 7.588 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.439 3.496 5.320 1.00 0.32 H new ATOM 0 HG3 MET A 78 -4.067 3.616 6.952 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.683 6.905 3.808 1.00 1.06 H new ATOM 0 HE2 MET A 78 -2.204 6.577 4.742 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.971 5.274 3.803 1.00 1.06 H new ATOM 1179 N GLN A 79 1.175 3.491 6.120 1.00 0.23 N ATOM 1180 CA GLN A 79 2.449 3.273 6.805 1.00 0.23 C ATOM 1181 C GLN A 79 3.243 2.121 6.193 1.00 0.24 C ATOM 1182 O GLN A 79 2.679 1.242 5.545 1.00 0.24 O ATOM 1183 CB GLN A 79 2.196 3.016 8.305 1.00 0.26 C ATOM 1184 CG GLN A 79 3.084 1.939 8.915 1.00 0.54 C ATOM 1185 CD GLN A 79 3.044 1.901 10.425 1.00 0.50 C ATOM 1186 OE1 GLN A 79 2.937 3.061 11.049 1.00 0.82 O flip ATOM 1187 NE2 GLN A 79 3.153 0.834 11.028 1.00 0.43 N flip ATOM 0 H GLN A 79 0.938 2.784 5.424 1.00 0.23 H new ATOM 0 HA GLN A 79 3.050 4.174 6.684 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.346 3.947 8.852 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.153 2.731 8.442 1.00 0.26 H new ATOM 0 HG2 GLN A 79 2.779 0.967 8.528 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.112 2.102 8.592 1.00 0.54 H new ATOM 0 HE21 GLN A 79 3.233 -0.040 10.508 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.163 0.823 12.048 1.00 0.43 H new ATOM 1196 N VAL A 80 4.556 2.139 6.407 1.00 0.28 N ATOM 1197 CA VAL A 80 5.411 1.019 6.037 1.00 0.35 C ATOM 1198 C VAL A 80 6.499 0.795 7.094 1.00 0.31 C ATOM 1199 O VAL A 80 7.261 1.703 7.429 1.00 0.31 O ATOM 1200 CB VAL A 80 6.057 1.199 4.640 1.00 0.52 C ATOM 1201 CG1 VAL A 80 6.965 2.418 4.596 1.00 0.85 C ATOM 1202 CG2 VAL A 80 6.823 -0.057 4.238 1.00 1.31 C ATOM 0 H VAL A 80 5.051 2.921 6.836 1.00 0.28 H new ATOM 0 HA VAL A 80 4.769 0.140 5.987 1.00 0.35 H new ATOM 0 HB VAL A 80 5.253 1.362 3.922 1.00 0.52 H new ATOM 0 HG11 VAL A 80 7.400 2.512 3.601 1.00 0.85 H new ATOM 0 HG12 VAL A 80 6.385 3.312 4.824 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.762 2.305 5.331 1.00 0.85 H new ATOM 0 HG21 VAL A 80 7.270 0.088 3.254 1.00 1.31 H new ATOM 0 HG22 VAL A 80 7.609 -0.253 4.968 1.00 1.31 H new ATOM 0 HG23 VAL A 80 6.139 -0.905 4.204 1.00 1.31 H new ATOM 1212 N ASN A 81 6.524 -0.421 7.639 1.00 0.34 N ATOM 1213 CA ASN A 81 7.535 -0.852 8.608 1.00 0.38 C ATOM 1214 C ASN A 81 7.698 0.143 9.751 1.00 0.34 C ATOM 1215 O ASN A 81 8.799 0.353 10.262 1.00 0.40 O ATOM 1216 CB ASN A 81 8.868 -1.106 7.898 1.00 0.46 C ATOM 1217 CG ASN A 81 8.896 -2.469 7.230 1.00 0.70 C ATOM 1218 OD1 ASN A 81 8.410 -2.645 6.116 1.00 1.50 O ATOM 1219 ND2 ASN A 81 9.471 -3.451 7.908 1.00 1.18 N ATOM 0 H ASN A 81 5.837 -1.142 7.419 1.00 0.34 H new ATOM 0 HA ASN A 81 7.192 -1.785 9.056 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.036 -0.331 7.151 1.00 0.46 H new ATOM 0 HB3 ASN A 81 9.683 -1.037 8.618 1.00 0.46 H new ATOM 0 HD21 ASN A 81 9.520 -4.387 7.507 1.00 1.18 H new ATOM 0 HD22 ASN A 81 9.865 -3.271 8.831 1.00 1.18 H new ATOM 1226 N GLY A 82 6.587 0.736 10.160 1.00 0.32 N ATOM 1227 CA GLY A 82 6.608 1.629 11.305 1.00 0.34 C ATOM 1228 C GLY A 82 6.574 3.095 10.921 1.00 0.31 C ATOM 1229 O GLY A 82 6.247 3.947 11.747 1.00 0.38 O ATOM 0 H GLY A 82 5.673 0.617 9.723 1.00 0.32 H new ATOM 0 HA2 GLY A 82 5.754 1.408 11.945 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.505 1.435 11.892 1.00 0.34 H new ATOM 1233 N TRP A 83 6.910 3.396 9.675 1.00 0.28 N ATOM 1234 CA TRP A 83 6.908 4.776 9.204 1.00 0.28 C ATOM 1235 C TRP A 83 5.516 5.179 8.830 1.00 0.29 C ATOM 1236 O TRP A 83 4.731 4.361 8.383 1.00 0.48 O ATOM 1237 CB TRP A 83 7.817 4.970 7.995 1.00 0.30 C ATOM 1238 CG TRP A 83 9.264 4.834 8.294 1.00 0.33 C ATOM 1239 CD1 TRP A 83 9.917 3.682 8.570 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.238 5.878 8.334 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.244 3.934 8.772 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.472 5.274 8.635 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.193 7.261 8.139 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.649 6.005 8.751 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.365 7.986 8.256 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.578 7.353 8.556 1.00 0.76 C ATOM 0 H TRP A 83 7.186 2.708 8.974 1.00 0.28 H new ATOM 0 HA TRP A 83 7.284 5.397 10.017 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.546 4.243 7.230 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.636 5.959 7.573 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.457 2.706 8.623 1.00 0.35 H new ATOM 0 HE1 TRP A 83 11.952 3.233 8.990 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.262 7.754 7.902 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.586 5.523 8.987 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.345 9.056 8.114 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.477 7.946 8.635 1.00 0.76 H new ATOM 1257 N ASP A 84 5.231 6.443 8.992 1.00 0.39 N ATOM 1258 CA ASP A 84 3.897 6.951 8.764 1.00 0.41 C ATOM 1259 C ASP A 84 3.765 7.520 7.370 1.00 0.40 C ATOM 1260 O ASP A 84 4.437 8.491 7.010 1.00 0.59 O ATOM 1261 CB ASP A 84 3.564 8.011 9.805 1.00 0.62 C ATOM 1262 CG ASP A 84 2.117 8.476 9.719 1.00 1.16 C ATOM 1263 OD1 ASP A 84 1.238 7.815 10.312 1.00 1.89 O ATOM 1264 OD2 ASP A 84 1.853 9.506 9.059 1.00 1.28 O ATOM 0 H ASP A 84 5.908 7.148 9.283 1.00 0.39 H new ATOM 0 HA ASP A 84 3.191 6.126 8.857 1.00 0.41 H new ATOM 0 HB2 ASP A 84 3.755 7.611 10.801 1.00 0.62 H new ATOM 0 HB3 ASP A 84 4.226 8.867 9.673 1.00 0.62 H new ATOM 1269 N MET A 85 2.910 6.903 6.578 1.00 0.36 N ATOM 1270 CA MET A 85 2.661 7.387 5.243 1.00 0.46 C ATOM 1271 C MET A 85 1.310 8.064 5.177 1.00 0.36 C ATOM 1272 O MET A 85 0.260 7.437 5.070 1.00 0.56 O ATOM 1273 CB MET A 85 2.758 6.264 4.209 1.00 0.76 C ATOM 1274 CG MET A 85 4.186 5.871 3.882 1.00 0.49 C ATOM 1275 SD MET A 85 5.070 5.203 5.297 1.00 1.01 S ATOM 1276 CE MET A 85 6.731 5.734 4.915 1.00 0.44 C ATOM 0 H MET A 85 2.381 6.071 6.838 1.00 0.36 H new ATOM 0 HA MET A 85 3.433 8.118 5.001 1.00 0.46 H new ATOM 0 HB2 MET A 85 2.224 5.390 4.581 1.00 0.76 H new ATOM 0 HB3 MET A 85 2.256 6.578 3.294 1.00 0.76 H new ATOM 0 HG2 MET A 85 4.179 5.131 3.082 1.00 0.49 H new ATOM 0 HG3 MET A 85 4.720 6.743 3.505 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.430 4.927 5.134 1.00 0.44 H new ATOM 0 HE2 MET A 85 6.796 5.994 3.858 1.00 0.44 H new ATOM 0 HE3 MET A 85 6.982 6.606 5.519 1.00 0.44 H new ATOM 1286 N THR A 86 1.385 9.364 5.246 1.00 0.31 N ATOM 1287 CA THR A 86 0.259 10.247 5.074 1.00 0.35 C ATOM 1288 C THR A 86 0.736 11.400 4.231 1.00 0.46 C ATOM 1289 O THR A 86 0.075 11.847 3.294 1.00 1.05 O ATOM 1290 CB THR A 86 -0.233 10.794 6.427 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.887 11.238 7.210 1.00 0.47 O ATOM 1292 CG2 THR A 86 -1.011 9.753 7.199 1.00 0.37 C ATOM 0 H THR A 86 2.259 9.857 5.429 1.00 0.31 H new ATOM 0 HA THR A 86 -0.567 9.708 4.609 1.00 0.35 H new ATOM 0 HB THR A 86 -0.900 11.632 6.225 1.00 0.36 H new ATOM 0 HG1 THR A 86 1.155 10.528 7.829 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.342 10.175 8.148 1.00 0.37 H new ATOM 0 HG22 THR A 86 -1.879 9.443 6.618 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.374 8.889 7.389 1.00 0.37 H new ATOM 1300 N MET A 87 1.916 11.871 4.600 1.00 0.56 N ATOM 1301 CA MET A 87 2.588 12.933 3.900 1.00 0.65 C ATOM 1302 C MET A 87 4.095 12.741 4.002 1.00 0.76 C ATOM 1303 O MET A 87 4.763 13.397 4.803 1.00 1.49 O ATOM 1304 CB MET A 87 2.197 14.297 4.476 1.00 0.84 C ATOM 1305 CG MET A 87 1.222 14.226 5.650 1.00 0.97 C ATOM 1306 SD MET A 87 1.053 15.798 6.522 1.00 1.36 S ATOM 1307 CE MET A 87 0.059 15.292 7.924 1.00 1.62 C ATOM 0 H MET A 87 2.433 11.517 5.405 1.00 0.56 H new ATOM 0 HA MET A 87 2.287 12.903 2.853 1.00 0.65 H new ATOM 0 HB2 MET A 87 3.100 14.814 4.799 1.00 0.84 H new ATOM 0 HB3 MET A 87 1.751 14.899 3.684 1.00 0.84 H new ATOM 0 HG2 MET A 87 0.244 13.912 5.285 1.00 0.97 H new ATOM 0 HG3 MET A 87 1.560 13.463 6.351 1.00 0.97 H new ATOM 0 HE1 MET A 87 -0.134 16.154 8.563 1.00 1.62 H new ATOM 0 HE2 MET A 87 -0.888 14.883 7.570 1.00 1.62 H new ATOM 0 HE3 MET A 87 0.593 14.531 8.493 1.00 1.62 H new ATOM 1317 N VAL A 88 4.619 11.790 3.244 1.00 0.40 N ATOM 1318 CA VAL A 88 6.039 11.598 3.149 1.00 0.45 C ATOM 1319 C VAL A 88 6.393 11.255 1.704 1.00 0.36 C ATOM 1320 O VAL A 88 5.537 10.798 0.959 1.00 0.39 O ATOM 1321 CB VAL A 88 6.503 10.512 4.136 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.543 9.127 3.516 1.00 0.72 C ATOM 1323 CG2 VAL A 88 7.835 10.901 4.716 1.00 1.09 C ATOM 0 H VAL A 88 4.068 11.139 2.685 1.00 0.40 H new ATOM 0 HA VAL A 88 6.563 12.514 3.424 1.00 0.45 H new ATOM 0 HB VAL A 88 5.766 10.449 4.937 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.878 8.405 4.261 1.00 0.72 H new ATOM 0 HG12 VAL A 88 5.546 8.855 3.169 1.00 0.72 H new ATOM 0 HG13 VAL A 88 7.234 9.126 2.673 1.00 0.72 H new ATOM 0 HG21 VAL A 88 8.166 10.133 5.415 1.00 1.09 H new ATOM 0 HG22 VAL A 88 8.566 11.000 3.914 1.00 1.09 H new ATOM 0 HG23 VAL A 88 7.740 11.852 5.240 1.00 1.09 H new ATOM 1333 N THR A 89 7.618 11.547 1.293 1.00 0.31 N ATOM 1334 CA THR A 89 8.026 11.393 -0.086 1.00 0.28 C ATOM 1335 C THR A 89 7.902 9.950 -0.595 1.00 0.26 C ATOM 1336 O THR A 89 7.976 8.996 0.171 1.00 0.26 O ATOM 1337 CB THR A 89 9.462 11.916 -0.262 1.00 0.31 C ATOM 1338 OG1 THR A 89 10.364 11.186 0.572 1.00 0.32 O ATOM 1339 CG2 THR A 89 9.523 13.390 0.109 1.00 0.35 C ATOM 0 H THR A 89 8.352 11.896 1.909 1.00 0.31 H new ATOM 0 HA THR A 89 7.342 11.985 -0.694 1.00 0.28 H new ATOM 0 HB THR A 89 9.752 11.785 -1.305 1.00 0.31 H new ATOM 0 HG1 THR A 89 11.274 11.528 0.448 1.00 0.32 H new ATOM 0 HG21 THR A 89 10.542 13.755 -0.017 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.852 13.956 -0.537 1.00 0.35 H new ATOM 0 HG23 THR A 89 9.219 13.517 1.148 1.00 0.35 H new ATOM 1347 N HIS A 90 7.688 9.814 -1.905 1.00 0.26 N ATOM 1348 CA HIS A 90 7.553 8.506 -2.549 1.00 0.25 C ATOM 1349 C HIS A 90 8.792 7.689 -2.322 1.00 0.27 C ATOM 1350 O HIS A 90 8.730 6.492 -2.063 1.00 0.30 O ATOM 1351 CB HIS A 90 7.325 8.674 -4.044 1.00 0.25 C ATOM 1352 CG HIS A 90 7.182 7.390 -4.816 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.372 7.319 -6.175 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.847 6.134 -4.424 1.00 0.27 C ATOM 1355 CE1 HIS A 90 7.159 6.088 -6.587 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.843 5.346 -5.547 1.00 0.32 N ATOM 0 H HIS A 90 7.604 10.603 -2.546 1.00 0.26 H new ATOM 0 HA HIS A 90 6.696 7.993 -2.112 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.426 9.272 -4.194 1.00 0.25 H new ATOM 0 HB3 HIS A 90 8.158 9.240 -4.461 1.00 0.25 H new ATOM 0 HD2 HIS A 90 6.625 5.815 -3.416 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.231 5.744 -7.608 1.00 0.35 H new ATOM 0 HE2 HIS A 90 6.630 4.349 -5.572 1.00 0.32 H new ATOM 1365 N ASP A 91 9.903 8.368 -2.413 1.00 0.31 N ATOM 1366 CA ASP A 91 11.203 7.729 -2.234 1.00 0.34 C ATOM 1367 C ASP A 91 11.349 7.254 -0.806 1.00 0.32 C ATOM 1368 O ASP A 91 12.001 6.243 -0.547 1.00 0.33 O ATOM 1369 CB ASP A 91 12.365 8.650 -2.594 1.00 0.41 C ATOM 1370 CG ASP A 91 12.612 8.723 -4.090 1.00 1.03 C ATOM 1371 OD1 ASP A 91 13.260 7.800 -4.629 1.00 1.67 O ATOM 1372 OD2 ASP A 91 12.163 9.696 -4.733 1.00 1.45 O ATOM 0 H ASP A 91 9.947 9.368 -2.610 1.00 0.31 H new ATOM 0 HA ASP A 91 11.241 6.881 -2.917 1.00 0.34 H new ATOM 0 HB2 ASP A 91 12.161 9.651 -2.214 1.00 0.41 H new ATOM 0 HB3 ASP A 91 13.269 8.299 -2.097 1.00 0.41 H new ATOM 1377 N GLN A 92 10.715 7.977 0.113 1.00 0.31 N ATOM 1378 CA GLN A 92 10.776 7.648 1.514 1.00 0.32 C ATOM 1379 C GLN A 92 10.134 6.290 1.745 1.00 0.29 C ATOM 1380 O GLN A 92 10.737 5.376 2.319 1.00 0.31 O ATOM 1381 CB GLN A 92 10.029 8.715 2.294 1.00 0.36 C ATOM 1382 CG GLN A 92 9.805 8.361 3.733 1.00 0.42 C ATOM 1383 CD GLN A 92 10.988 8.692 4.606 1.00 0.57 C ATOM 1384 OE1 GLN A 92 10.997 9.907 5.125 1.00 0.77 O flip ATOM 1385 NE2 GLN A 92 11.877 7.871 4.813 1.00 0.62 N flip ATOM 0 H GLN A 92 10.151 8.800 -0.101 1.00 0.31 H new ATOM 0 HA GLN A 92 11.813 7.607 1.847 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.588 9.650 2.241 1.00 0.36 H new ATOM 0 HB3 GLN A 92 9.065 8.893 1.818 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.927 8.893 4.101 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.588 7.296 3.811 1.00 0.42 H new ATOM 0 HE21 GLN A 92 11.825 6.945 4.389 1.00 0.62 H new ATOM 0 HE22 GLN A 92 12.668 8.115 5.409 1.00 0.62 H new ATOM 1394 N ALA A 93 8.920 6.154 1.239 1.00 0.27 N ATOM 1395 CA ALA A 93 8.165 4.931 1.419 1.00 0.28 C ATOM 1396 C ALA A 93 8.755 3.833 0.560 1.00 0.28 C ATOM 1397 O ALA A 93 8.785 2.668 0.949 1.00 0.33 O ATOM 1398 CB ALA A 93 6.704 5.157 1.077 1.00 0.33 C ATOM 0 H ALA A 93 8.439 6.875 0.702 1.00 0.27 H new ATOM 0 HA ALA A 93 8.224 4.626 2.464 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.150 4.229 1.217 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.293 5.927 1.729 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.619 5.477 0.039 1.00 0.33 H new ATOM 1404 N ARG A 94 9.272 4.235 -0.595 1.00 0.27 N ATOM 1405 CA ARG A 94 9.837 3.306 -1.552 1.00 0.30 C ATOM 1406 C ARG A 94 11.025 2.571 -0.949 1.00 0.33 C ATOM 1407 O ARG A 94 11.100 1.347 -1.031 1.00 0.37 O ATOM 1408 CB ARG A 94 10.276 4.037 -2.816 1.00 0.34 C ATOM 1409 CG ARG A 94 10.411 3.125 -4.021 1.00 0.43 C ATOM 1410 CD ARG A 94 10.717 3.905 -5.292 1.00 0.57 C ATOM 1411 NE ARG A 94 11.974 4.648 -5.205 1.00 1.04 N ATOM 1412 CZ ARG A 94 12.877 4.694 -6.185 1.00 1.41 C ATOM 1413 NH1 ARG A 94 12.650 4.067 -7.337 1.00 1.57 N ATOM 1414 NH2 ARG A 94 13.989 5.399 -6.021 1.00 2.10 N ATOM 0 H ARG A 94 9.309 5.211 -0.889 1.00 0.27 H new ATOM 0 HA ARG A 94 9.065 2.581 -1.811 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.555 4.822 -3.042 1.00 0.34 H new ATOM 0 HB3 ARG A 94 11.232 4.527 -2.631 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.204 2.400 -3.840 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.488 2.561 -4.155 1.00 0.43 H new ATOM 0 HD2 ARG A 94 10.764 3.216 -6.135 1.00 0.57 H new ATOM 0 HD3 ARG A 94 9.901 4.600 -5.493 1.00 0.57 H new ATOM 0 HE ARG A 94 12.171 5.160 -4.345 1.00 1.04 H new ATOM 0 HH11 ARG A 94 11.782 3.548 -7.473 1.00 1.57 H new ATOM 0 HH12 ARG A 94 13.344 4.105 -8.084 1.00 1.57 H new ATOM 0 HH21 ARG A 94 14.150 5.902 -5.149 1.00 2.10 H new ATOM 0 HH22 ARG A 94 14.683 5.438 -6.767 1.00 2.10 H new ATOM 1428 N LYS A 95 11.950 3.309 -0.330 1.00 0.33 N ATOM 1429 CA LYS A 95 13.113 2.663 0.262 1.00 0.40 C ATOM 1430 C LYS A 95 12.715 1.867 1.492 1.00 0.42 C ATOM 1431 O LYS A 95 13.362 0.886 1.841 1.00 0.46 O ATOM 1432 CB LYS A 95 14.245 3.654 0.601 1.00 0.46 C ATOM 1433 CG LYS A 95 13.905 4.747 1.605 1.00 0.64 C ATOM 1434 CD LYS A 95 14.016 4.253 3.048 1.00 0.56 C ATOM 1435 CE LYS A 95 15.365 3.602 3.350 1.00 0.60 C ATOM 1436 NZ LYS A 95 16.498 4.545 3.170 1.00 0.96 N ATOM 0 H LYS A 95 11.916 4.323 -0.229 1.00 0.33 H new ATOM 0 HA LYS A 95 13.509 1.983 -0.492 1.00 0.40 H new ATOM 0 HB2 LYS A 95 15.092 3.087 0.986 1.00 0.46 H new ATOM 0 HB3 LYS A 95 14.573 4.129 -0.324 1.00 0.46 H new ATOM 0 HG2 LYS A 95 14.575 5.594 1.459 1.00 0.64 H new ATOM 0 HG3 LYS A 95 12.892 5.106 1.421 1.00 0.64 H new ATOM 0 HD2 LYS A 95 13.863 5.092 3.727 1.00 0.56 H new ATOM 0 HD3 LYS A 95 13.220 3.535 3.243 1.00 0.56 H new ATOM 0 HE2 LYS A 95 15.365 3.229 4.374 1.00 0.60 H new ATOM 0 HE3 LYS A 95 15.505 2.741 2.697 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 17.387 4.074 3.435 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 16.547 4.843 2.175 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 16.355 5.379 3.774 1.00 0.96 H new ATOM 1450 N ARG A 96 11.660 2.294 2.161 1.00 0.45 N ATOM 1451 CA ARG A 96 11.253 1.629 3.379 1.00 0.51 C ATOM 1452 C ARG A 96 10.685 0.246 3.114 1.00 0.57 C ATOM 1453 O ARG A 96 10.983 -0.694 3.849 1.00 0.72 O ATOM 1454 CB ARG A 96 10.269 2.471 4.178 1.00 0.55 C ATOM 1455 CG ARG A 96 10.943 3.552 5.002 1.00 0.59 C ATOM 1456 CD ARG A 96 12.216 3.034 5.662 1.00 0.72 C ATOM 1457 NE ARG A 96 12.046 1.691 6.238 1.00 1.98 N ATOM 1458 CZ ARG A 96 12.685 1.247 7.322 1.00 2.35 C ATOM 1459 NH1 ARG A 96 13.491 2.057 8.001 1.00 1.58 N ATOM 1460 NH2 ARG A 96 12.527 -0.014 7.712 1.00 3.57 N ATOM 0 H ARG A 96 11.079 3.086 1.885 1.00 0.45 H new ATOM 0 HA ARG A 96 12.155 1.504 3.979 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.557 2.934 3.494 1.00 0.55 H new ATOM 0 HB3 ARG A 96 9.698 1.821 4.840 1.00 0.55 H new ATOM 0 HG2 ARG A 96 11.182 4.403 4.364 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.255 3.911 5.767 1.00 0.59 H new ATOM 0 HD2 ARG A 96 13.019 3.011 4.926 1.00 0.72 H new ATOM 0 HD3 ARG A 96 12.522 3.726 6.446 1.00 0.72 H new ATOM 0 HE ARG A 96 11.395 1.056 5.777 1.00 1.98 H new ATOM 0 HH11 ARG A 96 13.622 3.021 7.694 1.00 1.58 H new ATOM 0 HH12 ARG A 96 13.978 1.715 8.829 1.00 1.58 H new ATOM 0 HH21 ARG A 96 11.919 -0.639 7.183 1.00 3.57 H new ATOM 0 HH22 ARG A 96 13.014 -0.357 8.540 1.00 3.57 H new ATOM 1474 N LEU A 97 9.878 0.117 2.076 1.00 0.52 N ATOM 1475 CA LEU A 97 9.319 -1.179 1.729 1.00 0.57 C ATOM 1476 C LEU A 97 10.328 -2.018 0.950 1.00 0.64 C ATOM 1477 O LEU A 97 10.260 -3.250 0.958 1.00 0.96 O ATOM 1478 CB LEU A 97 8.002 -1.016 0.956 1.00 0.70 C ATOM 1479 CG LEU A 97 8.025 -0.039 -0.224 1.00 0.88 C ATOM 1480 CD1 LEU A 97 8.635 -0.680 -1.458 1.00 1.45 C ATOM 1481 CD2 LEU A 97 6.624 0.463 -0.520 1.00 1.65 C ATOM 0 H LEU A 97 9.597 0.883 1.464 1.00 0.52 H new ATOM 0 HA LEU A 97 9.095 -1.713 2.652 1.00 0.57 H new ATOM 0 HB2 LEU A 97 7.700 -1.995 0.584 1.00 0.70 H new ATOM 0 HB3 LEU A 97 7.233 -0.690 1.656 1.00 0.70 H new ATOM 0 HG LEU A 97 8.650 0.810 0.053 1.00 0.88 H new ATOM 0 HD11 LEU A 97 8.637 0.038 -2.278 1.00 1.45 H new ATOM 0 HD12 LEU A 97 9.658 -0.986 -1.241 1.00 1.45 H new ATOM 0 HD13 LEU A 97 8.048 -1.553 -1.742 1.00 1.45 H new ATOM 0 HD21 LEU A 97 6.656 1.156 -1.361 1.00 1.65 H new ATOM 0 HD22 LEU A 97 5.980 -0.381 -0.770 1.00 1.65 H new ATOM 0 HD23 LEU A 97 6.228 0.975 0.357 1.00 1.65 H new ATOM 1493 N THR A 98 11.263 -1.358 0.275 1.00 0.54 N ATOM 1494 CA THR A 98 12.292 -2.060 -0.475 1.00 0.65 C ATOM 1495 C THR A 98 13.555 -1.218 -0.610 1.00 0.74 C ATOM 1496 O THR A 98 13.673 -0.378 -1.498 1.00 1.53 O ATOM 1497 CB THR A 98 11.817 -2.464 -1.890 1.00 0.92 C ATOM 1498 OG1 THR A 98 10.548 -3.137 -1.833 1.00 1.15 O ATOM 1499 CG2 THR A 98 12.838 -3.370 -2.561 1.00 1.12 C ATOM 0 H THR A 98 11.328 -0.341 0.233 1.00 0.54 H new ATOM 0 HA THR A 98 12.509 -2.964 0.095 1.00 0.65 H new ATOM 0 HB THR A 98 11.708 -1.550 -2.475 1.00 0.92 H new ATOM 0 HG1 THR A 98 10.639 -4.038 -2.207 1.00 1.15 H new ATOM 0 HG21 THR A 98 12.485 -3.643 -3.555 1.00 1.12 H new ATOM 0 HG22 THR A 98 13.790 -2.846 -2.645 1.00 1.12 H new ATOM 0 HG23 THR A 98 12.972 -4.272 -1.964 1.00 1.12 H new ATOM 1507 N LYS A 99 14.490 -1.450 0.291 1.00 0.79 N ATOM 1508 CA LYS A 99 15.801 -0.816 0.221 1.00 1.12 C ATOM 1509 C LYS A 99 16.848 -1.872 -0.068 1.00 1.36 C ATOM 1510 O LYS A 99 18.051 -1.625 -0.001 1.00 2.28 O ATOM 1511 CB LYS A 99 16.110 -0.103 1.535 1.00 1.29 C ATOM 1512 CG LYS A 99 16.621 -1.030 2.616 1.00 1.18 C ATOM 1513 CD LYS A 99 16.592 -0.389 3.984 1.00 1.56 C ATOM 1514 CE LYS A 99 15.167 -0.236 4.476 1.00 1.98 C ATOM 1515 NZ LYS A 99 15.094 -0.262 5.960 1.00 2.72 N ATOM 0 H LYS A 99 14.369 -2.076 1.087 1.00 0.79 H new ATOM 0 HA LYS A 99 15.807 -0.075 -0.579 1.00 1.12 H new ATOM 0 HB2 LYS A 99 16.852 0.674 1.352 1.00 1.29 H new ATOM 0 HB3 LYS A 99 15.208 0.395 1.890 1.00 1.29 H new ATOM 0 HG2 LYS A 99 16.016 -1.937 2.629 1.00 1.18 H new ATOM 0 HG3 LYS A 99 17.642 -1.331 2.380 1.00 1.18 H new ATOM 0 HD2 LYS A 99 17.161 -0.997 4.687 1.00 1.56 H new ATOM 0 HD3 LYS A 99 17.074 0.588 3.943 1.00 1.56 H new ATOM 0 HE2 LYS A 99 14.753 0.703 4.107 1.00 1.98 H new ATOM 0 HE3 LYS A 99 14.552 -1.038 4.067 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 14.208 -0.719 6.256 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 15.902 -0.797 6.338 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 15.121 0.711 6.326 1.00 2.72 H new ATOM 1529 N ARG A 100 16.348 -3.054 -0.393 1.00 1.04 N ATOM 1530 CA ARG A 100 17.168 -4.210 -0.705 1.00 1.17 C ATOM 1531 C ARG A 100 17.885 -4.752 0.533 1.00 1.12 C ATOM 1532 O ARG A 100 18.848 -5.502 0.412 1.00 1.39 O ATOM 1533 CB ARG A 100 18.177 -3.902 -1.820 1.00 1.55 C ATOM 1534 CG ARG A 100 17.532 -3.484 -3.135 1.00 2.10 C ATOM 1535 CD ARG A 100 18.574 -3.255 -4.214 1.00 2.50 C ATOM 1536 NE ARG A 100 18.366 -1.987 -4.913 1.00 3.10 N ATOM 1537 CZ ARG A 100 19.324 -1.327 -5.559 1.00 3.59 C ATOM 1538 NH1 ARG A 100 20.545 -1.836 -5.636 1.00 3.60 N ATOM 1539 NH2 ARG A 100 19.054 -0.165 -6.140 1.00 4.38 N ATOM 0 H ARG A 100 15.346 -3.238 -0.448 1.00 1.04 H new ATOM 0 HA ARG A 100 16.491 -4.985 -1.064 1.00 1.17 H new ATOM 0 HB2 ARG A 100 18.844 -3.108 -1.485 1.00 1.55 H new ATOM 0 HB3 ARG A 100 18.794 -4.784 -1.993 1.00 1.55 H new ATOM 0 HG2 ARG A 100 16.833 -4.254 -3.460 1.00 2.10 H new ATOM 0 HG3 ARG A 100 16.955 -2.572 -2.985 1.00 2.10 H new ATOM 0 HD2 ARG A 100 19.568 -3.264 -3.767 1.00 2.50 H new ATOM 0 HD3 ARG A 100 18.540 -4.075 -4.931 1.00 2.50 H new ATOM 0 HE ARG A 100 17.429 -1.584 -4.905 1.00 3.10 H new ATOM 0 HH11 ARG A 100 20.751 -2.735 -5.200 1.00 3.60 H new ATOM 0 HH12 ARG A 100 21.279 -1.329 -6.131 1.00 3.60 H new ATOM 0 HH21 ARG A 100 18.112 0.223 -6.092 1.00 4.38 H new ATOM 0 HH22 ARG A 100 19.789 0.341 -6.635 1.00 4.38 H new ATOM 1553 N SER A 101 17.396 -4.396 1.723 1.00 1.05 N ATOM 1554 CA SER A 101 17.995 -4.902 2.955 1.00 1.37 C ATOM 1555 C SER A 101 16.928 -5.319 3.980 1.00 1.22 C ATOM 1556 O SER A 101 17.252 -5.621 5.130 1.00 1.64 O ATOM 1557 CB SER A 101 18.927 -3.841 3.555 1.00 1.90 C ATOM 1558 OG SER A 101 19.619 -4.347 4.685 1.00 2.51 O ATOM 0 H SER A 101 16.601 -3.771 1.857 1.00 1.05 H new ATOM 0 HA SER A 101 18.572 -5.793 2.706 1.00 1.37 H new ATOM 0 HB2 SER A 101 19.644 -3.515 2.802 1.00 1.90 H new ATOM 0 HB3 SER A 101 18.347 -2.964 3.843 1.00 1.90 H new ATOM 0 HG SER A 101 19.008 -4.889 5.227 1.00 2.51 H new ATOM 1564 N GLU A 102 15.667 -5.365 3.560 1.00 1.06 N ATOM 1565 CA GLU A 102 14.581 -5.689 4.484 1.00 1.19 C ATOM 1566 C GLU A 102 14.394 -7.201 4.617 1.00 0.93 C ATOM 1567 O GLU A 102 14.638 -7.959 3.670 1.00 1.34 O ATOM 1568 CB GLU A 102 13.266 -5.040 4.038 1.00 1.63 C ATOM 1569 CG GLU A 102 13.292 -3.518 4.052 1.00 2.12 C ATOM 1570 CD GLU A 102 13.576 -2.942 5.430 1.00 2.70 C ATOM 1571 OE1 GLU A 102 14.744 -2.997 5.865 1.00 3.40 O ATOM 1572 OE2 GLU A 102 12.647 -2.398 6.063 1.00 2.95 O ATOM 0 H GLU A 102 15.373 -5.185 2.600 1.00 1.06 H new ATOM 0 HA GLU A 102 14.858 -5.288 5.459 1.00 1.19 H new ATOM 0 HB2 GLU A 102 13.028 -5.380 3.030 1.00 1.63 H new ATOM 0 HB3 GLU A 102 12.463 -5.386 4.689 1.00 1.63 H new ATOM 0 HG2 GLU A 102 14.052 -3.167 3.354 1.00 2.12 H new ATOM 0 HG3 GLU A 102 12.333 -3.140 3.697 1.00 2.12 H new ATOM 1579 N GLU A 103 13.965 -7.631 5.800 1.00 0.74 N ATOM 1580 CA GLU A 103 13.704 -9.045 6.066 1.00 0.68 C ATOM 1581 C GLU A 103 12.220 -9.367 5.873 1.00 0.54 C ATOM 1582 O GLU A 103 11.856 -10.321 5.186 1.00 0.61 O ATOM 1583 CB GLU A 103 14.138 -9.404 7.492 1.00 0.95 C ATOM 1584 CG GLU A 103 13.599 -8.453 8.553 1.00 1.37 C ATOM 1585 CD GLU A 103 13.902 -8.905 9.965 1.00 2.16 C ATOM 1586 OE1 GLU A 103 13.106 -9.686 10.525 1.00 2.68 O ATOM 1587 OE2 GLU A 103 14.946 -8.492 10.512 1.00 2.58 O ATOM 0 H GLU A 103 13.789 -7.017 6.595 1.00 0.74 H new ATOM 0 HA GLU A 103 14.282 -9.639 5.358 1.00 0.68 H new ATOM 0 HB2 GLU A 103 13.804 -10.416 7.720 1.00 0.95 H new ATOM 0 HB3 GLU A 103 15.227 -9.409 7.541 1.00 0.95 H new ATOM 0 HG2 GLU A 103 14.026 -7.463 8.395 1.00 1.37 H new ATOM 0 HG3 GLU A 103 12.520 -8.357 8.432 1.00 1.37 H new ATOM 1594 N VAL A 104 11.375 -8.557 6.490 1.00 0.40 N ATOM 1595 CA VAL A 104 9.935 -8.710 6.415 1.00 0.33 C ATOM 1596 C VAL A 104 9.312 -7.324 6.388 1.00 0.29 C ATOM 1597 O VAL A 104 9.788 -6.405 7.062 1.00 0.34 O ATOM 1598 CB VAL A 104 9.378 -9.555 7.589 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.907 -9.061 8.925 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.856 -9.565 7.586 1.00 0.37 C ATOM 0 H VAL A 104 11.675 -7.768 7.062 1.00 0.40 H new ATOM 0 HA VAL A 104 9.678 -9.253 5.505 1.00 0.33 H new ATOM 0 HB VAL A 104 9.725 -10.579 7.447 1.00 0.38 H new ATOM 0 HG11 VAL A 104 9.498 -9.674 9.728 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.995 -9.131 8.934 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.609 -8.023 9.073 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.494 -10.166 8.421 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.485 -8.545 7.686 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.497 -9.992 6.650 1.00 0.37 H new ATOM 1610 N VAL A 105 8.261 -7.161 5.612 1.00 0.28 N ATOM 1611 CA VAL A 105 7.813 -5.842 5.253 1.00 0.28 C ATOM 1612 C VAL A 105 6.387 -5.601 5.634 1.00 0.26 C ATOM 1613 O VAL A 105 5.465 -6.279 5.185 1.00 0.26 O ATOM 1614 CB VAL A 105 8.025 -5.572 3.774 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.279 -4.331 3.340 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.500 -5.420 3.542 1.00 0.46 C ATOM 0 H VAL A 105 7.707 -7.924 5.222 1.00 0.28 H new ATOM 0 HA VAL A 105 8.423 -5.141 5.823 1.00 0.28 H new ATOM 0 HB VAL A 105 7.636 -6.400 3.182 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.447 -4.159 2.277 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.213 -4.465 3.522 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.639 -3.473 3.908 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.684 -5.225 2.486 1.00 0.46 H new ATOM 0 HG22 VAL A 105 9.878 -4.588 4.136 1.00 0.46 H new ATOM 0 HG23 VAL A 105 10.011 -6.337 3.836 1.00 0.46 H new ATOM 1626 N ARG A 106 6.250 -4.635 6.500 1.00 0.29 N ATOM 1627 CA ARG A 106 5.001 -4.304 7.095 1.00 0.28 C ATOM 1628 C ARG A 106 4.413 -3.091 6.417 1.00 0.26 C ATOM 1629 O ARG A 106 5.064 -2.065 6.288 1.00 0.32 O ATOM 1630 CB ARG A 106 5.223 -4.095 8.572 1.00 0.35 C ATOM 1631 CG ARG A 106 5.550 -5.391 9.293 1.00 0.43 C ATOM 1632 CD ARG A 106 6.948 -5.917 8.970 1.00 0.54 C ATOM 1633 NE ARG A 106 7.475 -6.699 10.087 1.00 0.81 N ATOM 1634 CZ ARG A 106 8.618 -6.441 10.724 1.00 1.26 C ATOM 1635 NH1 ARG A 106 9.422 -5.477 10.299 1.00 1.76 N ATOM 1636 NH2 ARG A 106 8.970 -7.169 11.774 1.00 1.46 N ATOM 0 H ARG A 106 7.024 -4.049 6.813 1.00 0.29 H new ATOM 0 HA ARG A 106 4.279 -5.111 6.968 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.037 -3.385 8.718 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.330 -3.652 9.013 1.00 0.35 H new ATOM 0 HG2 ARG A 106 5.467 -5.233 10.368 1.00 0.43 H new ATOM 0 HG3 ARG A 106 4.812 -6.147 9.023 1.00 0.43 H new ATOM 0 HD2 ARG A 106 6.912 -6.534 8.072 1.00 0.54 H new ATOM 0 HD3 ARG A 106 7.616 -5.083 8.756 1.00 0.54 H new ATOM 0 HE ARG A 106 6.929 -7.501 10.402 1.00 0.81 H new ATOM 0 HH11 ARG A 106 9.168 -4.926 9.479 1.00 1.76 H new ATOM 0 HH12 ARG A 106 10.294 -5.286 10.792 1.00 1.76 H new ATOM 0 HH21 ARG A 106 8.367 -7.926 12.095 1.00 1.46 H new ATOM 0 HH22 ARG A 106 9.844 -6.972 12.261 1.00 1.46 H new ATOM 1650 N LEU A 107 3.196 -3.217 5.985 1.00 0.24 N ATOM 1651 CA LEU A 107 2.556 -2.178 5.213 1.00 0.24 C ATOM 1652 C LEU A 107 1.188 -1.884 5.793 1.00 0.21 C ATOM 1653 O LEU A 107 0.369 -2.785 5.921 1.00 0.28 O ATOM 1654 CB LEU A 107 2.426 -2.651 3.762 1.00 0.37 C ATOM 1655 CG LEU A 107 1.899 -1.623 2.772 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.977 -0.602 2.453 1.00 0.98 C ATOM 1657 CD2 LEU A 107 1.412 -2.322 1.513 1.00 1.12 C ATOM 0 H LEU A 107 2.614 -4.037 6.153 1.00 0.24 H new ATOM 0 HA LEU A 107 3.152 -1.266 5.246 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.405 -2.987 3.421 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.766 -3.519 3.741 1.00 0.37 H new ATOM 0 HG LEU A 107 1.056 -1.093 3.216 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.588 0.128 1.744 1.00 0.98 H new ATOM 0 HD12 LEU A 107 3.279 -0.093 3.369 1.00 0.98 H new ATOM 0 HD13 LEU A 107 3.839 -1.107 2.018 1.00 0.98 H new ATOM 0 HD21 LEU A 107 1.036 -1.581 0.808 1.00 1.12 H new ATOM 0 HD22 LEU A 107 2.238 -2.869 1.058 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.613 -3.018 1.769 1.00 1.12 H new ATOM 1669 N LEU A 108 0.920 -0.642 6.141 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.382 -0.292 6.617 1.00 0.15 C ATOM 1671 C LEU A 108 -1.096 0.338 5.460 1.00 0.15 C ATOM 1672 O LEU A 108 -0.626 1.313 4.901 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.296 0.666 7.796 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.636 1.080 8.394 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.457 -0.166 8.754 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -1.399 1.946 9.626 1.00 0.26 C ATOM 0 H LEU A 108 1.587 0.129 6.100 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.917 -1.171 6.977 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.305 0.202 8.578 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.234 1.563 7.477 1.00 0.19 H new ATOM 0 HG LEU A 108 -2.198 1.660 7.662 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.413 0.139 9.181 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.633 -0.758 7.856 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.909 -0.765 9.482 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -2.357 2.242 10.053 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.832 1.380 10.365 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.838 2.837 9.342 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.185 -0.243 5.061 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.842 0.176 3.861 1.00 0.21 C ATOM 1690 C VAL A 109 -4.285 0.483 4.147 1.00 0.22 C ATOM 1691 O VAL A 109 -4.880 -0.064 5.065 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.733 -0.920 2.779 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -4.019 -1.726 2.638 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -2.301 -0.320 1.458 1.00 0.77 C ATOM 0 H VAL A 109 -2.640 -1.013 5.552 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.356 1.078 3.490 1.00 0.21 H new ATOM 0 HB VAL A 109 -1.966 -1.624 3.101 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -3.891 -2.483 1.865 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -4.250 -2.211 3.586 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.837 -1.061 2.362 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -2.229 -1.107 0.707 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -3.033 0.421 1.138 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -1.329 0.158 1.576 1.00 0.77 H new ATOM 1704 N THR A 110 -4.834 1.379 3.396 1.00 0.22 N ATOM 1705 CA THR A 110 -6.253 1.550 3.429 1.00 0.25 C ATOM 1706 C THR A 110 -6.876 0.805 2.271 1.00 0.26 C ATOM 1707 O THR A 110 -6.649 1.128 1.099 1.00 0.30 O ATOM 1708 CB THR A 110 -6.665 3.007 3.366 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.646 3.842 3.918 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.934 3.201 4.143 1.00 0.33 C ATOM 0 H THR A 110 -4.332 1.998 2.759 1.00 0.22 H new ATOM 0 HA THR A 110 -6.606 1.151 4.380 1.00 0.25 H new ATOM 0 HB THR A 110 -6.819 3.280 2.322 1.00 0.30 H new ATOM 0 HG1 THR A 110 -4.921 3.947 3.267 1.00 0.34 H new ATOM 0 HG21 THR A 110 -8.231 4.249 4.098 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.722 2.582 3.714 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.772 2.914 5.182 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.651 -0.192 2.623 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.197 -1.131 1.689 1.00 0.37 C ATOM 1720 C ARG A 111 -9.678 -0.864 1.461 1.00 0.42 C ATOM 1721 O ARG A 111 -10.388 -0.389 2.347 1.00 0.49 O ATOM 1722 CB ARG A 111 -7.968 -2.527 2.257 1.00 0.53 C ATOM 1723 CG ARG A 111 -8.950 -3.578 1.796 1.00 0.47 C ATOM 1724 CD ARG A 111 -8.824 -4.828 2.649 1.00 0.58 C ATOM 1725 NE ARG A 111 -7.798 -5.748 2.150 1.00 1.06 N ATOM 1726 CZ ARG A 111 -7.768 -7.052 2.424 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -8.714 -7.603 3.176 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -6.783 -7.808 1.956 1.00 2.01 N ATOM 0 H ARG A 111 -7.922 -0.372 3.590 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.708 -1.037 0.720 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -6.962 -2.850 1.989 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -8.005 -2.470 3.345 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -9.966 -3.188 1.858 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -8.766 -3.823 0.750 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.584 -4.542 3.673 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -9.785 -5.342 2.678 1.00 0.58 H new ATOM 0 HE ARG A 111 -7.061 -5.367 1.556 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -9.470 -7.028 3.548 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -8.685 -8.602 3.382 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -6.047 -7.391 1.386 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -6.762 -8.806 2.167 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.122 -1.175 0.264 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.494 -0.997 -0.139 1.00 0.71 C ATOM 1744 C GLN A 112 -11.918 -2.213 -0.940 1.00 0.89 C ATOM 1745 O GLN A 112 -11.327 -3.288 -0.813 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.646 0.302 -0.937 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.515 0.534 -1.906 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.341 1.234 -1.241 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -9.529 2.110 -0.394 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -8.130 0.836 -1.573 1.00 0.66 N ATOM 0 H GLN A 112 -9.528 -1.565 -0.467 1.00 0.56 H new ATOM 0 HA GLN A 112 -12.143 -0.909 0.732 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.588 0.277 -1.486 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -11.702 1.142 -0.245 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -10.185 -0.421 -2.316 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -10.870 1.135 -2.743 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -8.007 0.109 -2.278 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.315 1.255 -1.125 1.00 0.66 H new ATOM 1759 N SER A 113 -12.909 -2.043 -1.769 1.00 0.79 N ATOM 1760 CA SER A 113 -13.522 -3.143 -2.462 1.00 0.96 C ATOM 1761 C SER A 113 -12.841 -3.439 -3.784 1.00 0.89 C ATOM 1762 O SER A 113 -13.356 -3.140 -4.861 1.00 1.18 O ATOM 1763 CB SER A 113 -14.982 -2.831 -2.664 1.00 1.25 C ATOM 1764 OG SER A 113 -15.780 -3.386 -1.622 1.00 1.62 O ATOM 0 H SER A 113 -13.317 -1.133 -1.985 1.00 0.79 H new ATOM 0 HA SER A 113 -13.414 -4.042 -1.856 1.00 0.96 H new ATOM 0 HB2 SER A 113 -15.124 -1.751 -2.697 1.00 1.25 H new ATOM 0 HB3 SER A 113 -15.311 -3.225 -3.626 1.00 1.25 H new ATOM 0 HG SER A 113 -16.722 -3.166 -1.779 1.00 1.62 H new ATOM 1770 N LEU A 114 -11.662 -4.000 -3.673 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.902 -4.454 -4.819 1.00 0.94 C ATOM 1772 C LEU A 114 -10.705 -5.948 -4.679 1.00 1.13 C ATOM 1773 O LEU A 114 -10.229 -6.633 -5.580 1.00 1.65 O ATOM 1774 CB LEU A 114 -9.562 -3.744 -4.836 1.00 0.90 C ATOM 1775 CG LEU A 114 -9.593 -2.332 -4.264 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -8.186 -1.811 -4.105 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -10.435 -1.413 -5.139 1.00 1.23 C ATOM 0 H LEU A 114 -11.196 -4.157 -2.779 1.00 0.90 H new ATOM 0 HA LEU A 114 -11.424 -4.235 -5.750 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.843 -4.337 -4.271 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -9.201 -3.699 -5.863 1.00 0.90 H new ATOM 0 HG LEU A 114 -10.059 -2.358 -3.279 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -8.216 -0.801 -3.696 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -7.632 -2.461 -3.428 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -7.692 -1.794 -5.077 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -10.443 -0.410 -4.712 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -10.010 -1.376 -6.142 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -11.455 -1.794 -5.190 1.00 1.23 H new