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= -0.0828 USER MOD Set 1.2: A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 81 ASN : amide:sc= -2.53! X(o=-1.2!,f=-1.7) USER MOD Set 2.2: A 99 LYS NZ :NH3+ -166:sc= 1.36 (180deg=1.05) USER MOD Set 3.1: A 78 MET CE :methyl 146:sc= -4.59! (180deg=-7.15!) USER MOD Set 3.2: A 110 THR OG1 : rot 72:sc= 1.11 USER MOD Single : A 10 THR OG1 : rot -33:sc= 0.234 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.84! C(o=-8.6!,f=-1.8!) USER MOD Single : A 19 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.008) USER MOD Single : A 20 LYS NZ :NH3+ 144:sc= 1.23 (180deg=0.92) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.124 F(o=-2.5!,f=-0.12) USER MOD Single : A 26 ASN : amide:sc= 1.22 K(o=1.2,f=-0.23) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.769 K(o=0.77,f=-0.21) 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= -0.417 F(o=-1.4!,f=-0.42) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.594 F(o=-1.4!,f=-0.59) USER MOD Single : A 85 MET CE :methyl -146:sc= -3.67! (180deg=-7.67!) USER MOD Single : A 89 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 90 HIS : no HE2:sc= -2.29 K(o=-2.3,f=-3.7!) USER MOD Single : A 92 GLN : amide:sc= 0.863 K(o=0.86,f=-6.2!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 101 SER OG : rot 180:sc= -0.934 USER MOD Single : A 112 GLN :FLIP amide:sc= -2 F(o=-3.1!,f=-2) USER MOD Single : A 113 SER OG : rot -45:sc= 0.0817 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -15.580 6.271 3.161 1.00 1.00 N ATOM 140 CA THR A 10 -15.291 5.664 4.429 1.00 1.07 C ATOM 141 C THR A 10 -14.754 4.255 4.260 1.00 0.92 C ATOM 142 O THR A 10 -15.484 3.265 4.310 1.00 0.99 O ATOM 143 CB THR A 10 -16.534 5.660 5.311 1.00 1.30 C ATOM 144 OG1 THR A 10 -17.656 5.135 4.585 1.00 2.09 O ATOM 145 CG2 THR A 10 -16.836 7.062 5.795 1.00 1.90 C ATOM 0 HA THR A 10 -14.517 6.258 4.915 1.00 1.07 H new ATOM 0 HB THR A 10 -16.347 5.023 6.176 1.00 1.30 H new ATOM 0 HG1 THR A 10 -17.576 5.378 3.639 1.00 2.09 H new ATOM 0 HG21 THR A 10 -17.726 7.046 6.424 1.00 1.90 H new ATOM 0 HG22 THR A 10 -15.991 7.438 6.372 1.00 1.90 H new ATOM 0 HG23 THR A 10 -17.009 7.713 4.938 1.00 1.90 H new ATOM 153 N ALA A 11 -13.472 4.210 4.005 1.00 0.83 N ATOM 154 CA ALA A 11 -12.739 2.978 3.867 1.00 0.74 C ATOM 155 C ALA A 11 -12.258 2.476 5.216 1.00 0.77 C ATOM 156 O ALA A 11 -12.450 3.124 6.246 1.00 0.96 O ATOM 157 CB ALA A 11 -11.562 3.202 2.941 1.00 0.70 C ATOM 0 H ALA A 11 -12.897 5.044 3.885 1.00 0.83 H new ATOM 0 HA ALA A 11 -13.399 2.219 3.446 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -11.003 2.273 2.832 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.923 3.524 1.965 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.911 3.970 3.359 1.00 0.70 H new ATOM 163 N VAL A 12 -11.605 1.335 5.190 1.00 0.65 N ATOM 164 CA VAL A 12 -11.078 0.710 6.393 1.00 0.72 C ATOM 165 C VAL A 12 -9.620 0.358 6.168 1.00 0.54 C ATOM 166 O VAL A 12 -9.254 -0.105 5.090 1.00 0.54 O ATOM 167 CB VAL A 12 -11.867 -0.564 6.781 1.00 0.89 C ATOM 168 CG1 VAL A 12 -13.293 -0.217 7.185 1.00 1.57 C ATOM 169 CG2 VAL A 12 -11.864 -1.578 5.641 1.00 1.38 C ATOM 0 H VAL A 12 -11.422 0.810 4.335 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.179 1.419 7.215 1.00 0.72 H new ATOM 0 HB VAL A 12 -11.369 -1.016 7.639 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -13.827 -1.128 7.453 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -13.275 0.458 8.041 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -13.800 0.268 6.351 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -12.425 -2.463 5.940 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -12.327 -1.135 4.759 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -10.837 -1.861 5.408 1.00 1.38 H new ATOM 179 N VAL A 13 -8.776 0.583 7.154 1.00 0.52 N ATOM 180 CA VAL A 13 -7.360 0.368 6.941 1.00 0.44 C ATOM 181 C VAL A 13 -6.966 -1.057 7.306 1.00 0.41 C ATOM 182 O VAL A 13 -7.293 -1.570 8.381 1.00 0.50 O ATOM 183 CB VAL A 13 -6.460 1.417 7.661 1.00 0.61 C ATOM 184 CG1 VAL A 13 -7.255 2.647 8.046 1.00 0.90 C ATOM 185 CG2 VAL A 13 -5.732 0.846 8.865 1.00 1.02 C ATOM 0 H VAL A 13 -9.035 0.906 8.086 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.182 0.511 5.875 1.00 0.44 H new ATOM 0 HB VAL A 13 -5.694 1.708 6.942 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -6.601 3.361 8.546 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -7.674 3.105 7.150 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -8.063 2.362 8.719 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -5.122 1.624 9.324 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -6.459 0.480 9.590 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -5.092 0.023 8.547 1.00 1.02 H new ATOM 195 N GLN A 14 -6.314 -1.704 6.360 1.00 0.37 N ATOM 196 CA GLN A 14 -5.804 -3.055 6.564 1.00 0.40 C ATOM 197 C GLN A 14 -4.282 -3.070 6.422 1.00 0.32 C ATOM 198 O GLN A 14 -3.700 -2.124 5.917 1.00 0.41 O ATOM 199 CB GLN A 14 -6.461 -4.032 5.582 1.00 0.51 C ATOM 200 CG GLN A 14 -6.050 -3.876 4.128 1.00 0.53 C ATOM 201 CD GLN A 14 -4.967 -4.856 3.730 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.718 -4.438 3.833 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -5.255 -5.977 3.322 1.00 0.55 N flip ATOM 0 H GLN A 14 -6.122 -1.317 5.436 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.055 -3.378 7.574 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -6.230 -5.049 5.899 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.543 -3.915 5.650 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.921 -4.021 3.489 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.697 -2.859 3.960 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -6.233 -6.261 3.258 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -4.517 -6.625 3.047 1.00 0.55 H new ATOM 212 N ARG A 15 -3.630 -4.141 6.841 1.00 0.32 N ATOM 213 CA ARG A 15 -2.181 -4.180 6.815 1.00 0.39 C ATOM 214 C ARG A 15 -1.701 -5.388 6.037 1.00 0.33 C ATOM 215 O ARG A 15 -2.219 -6.490 6.208 1.00 0.55 O ATOM 216 CB ARG A 15 -1.576 -4.202 8.225 1.00 0.70 C ATOM 217 CG ARG A 15 -2.543 -3.890 9.359 1.00 0.75 C ATOM 218 CD ARG A 15 -3.438 -5.077 9.654 1.00 1.44 C ATOM 219 NE ARG A 15 -4.236 -4.890 10.862 1.00 2.26 N ATOM 220 CZ ARG A 15 -4.238 -5.746 11.886 1.00 2.85 C ATOM 221 NH1 ARG A 15 -3.503 -6.852 11.832 1.00 2.98 N ATOM 222 NH2 ARG A 15 -4.988 -5.502 12.952 1.00 3.63 N ATOM 0 H ARG A 15 -4.076 -4.985 7.199 1.00 0.32 H new ATOM 0 HA ARG A 15 -1.846 -3.267 6.323 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -1.144 -5.187 8.400 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -0.757 -3.483 8.261 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -1.983 -3.621 10.255 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -3.154 -3.027 9.093 1.00 0.75 H new ATOM 0 HD2 ARG A 15 -4.102 -5.246 8.807 1.00 1.44 H new ATOM 0 HD3 ARG A 15 -2.825 -5.972 9.762 1.00 1.44 H new ATOM 0 HE ARG A 15 -4.824 -4.059 10.927 1.00 2.26 H new ATOM 0 HH11 ARG A 15 -2.936 -7.048 11.007 1.00 2.98 H new ATOM 0 HH12 ARG A 15 -3.506 -7.505 12.616 1.00 2.98 H new ATOM 0 HH21 ARG A 15 -5.563 -4.660 12.989 1.00 3.63 H new ATOM 0 HH22 ARG A 15 -4.990 -6.156 13.735 1.00 3.63 H new ATOM 236 N VAL A 16 -0.720 -5.176 5.183 1.00 0.25 N ATOM 237 CA VAL A 16 -0.149 -6.234 4.402 1.00 0.30 C ATOM 238 C VAL A 16 1.220 -6.590 4.957 1.00 0.26 C ATOM 239 O VAL A 16 2.170 -5.813 4.872 1.00 0.40 O ATOM 240 CB VAL A 16 -0.057 -5.837 2.906 1.00 0.51 C ATOM 241 CG1 VAL A 16 0.995 -6.647 2.169 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.408 -6.014 2.242 1.00 0.64 C ATOM 0 H VAL A 16 -0.302 -4.261 5.017 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.796 -7.109 4.465 1.00 0.30 H new ATOM 0 HB VAL A 16 0.241 -4.790 2.858 1.00 0.51 H new ATOM 0 HG11 VAL A 16 1.027 -6.337 1.124 1.00 1.02 H new ATOM 0 HG12 VAL A 16 1.970 -6.480 2.627 1.00 1.02 H new ATOM 0 HG13 VAL A 16 0.744 -7.706 2.226 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -1.337 -5.733 1.191 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.717 -7.056 2.319 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -2.143 -5.380 2.738 1.00 0.64 H new ATOM 252 N GLU A 17 1.295 -7.750 5.569 1.00 0.22 N ATOM 253 CA GLU A 17 2.535 -8.237 6.139 1.00 0.25 C ATOM 254 C GLU A 17 3.052 -9.396 5.314 1.00 0.24 C ATOM 255 O GLU A 17 2.363 -10.410 5.166 1.00 0.28 O ATOM 256 CB GLU A 17 2.318 -8.707 7.580 1.00 0.33 C ATOM 257 CG GLU A 17 3.561 -9.323 8.205 1.00 0.44 C ATOM 258 CD GLU A 17 3.229 -10.368 9.248 1.00 0.75 C ATOM 259 OE1 GLU A 17 2.911 -9.995 10.395 1.00 1.35 O ATOM 260 OE2 GLU A 17 3.298 -11.573 8.926 1.00 1.31 O ATOM 0 H GLU A 17 0.503 -8.382 5.687 1.00 0.22 H new ATOM 0 HA GLU A 17 3.260 -7.423 6.136 1.00 0.25 H new ATOM 0 HB2 GLU A 17 1.996 -7.860 8.186 1.00 0.33 H new ATOM 0 HB3 GLU A 17 1.510 -9.438 7.599 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.170 -9.776 7.423 1.00 0.44 H new ATOM 0 HG3 GLU A 17 4.162 -8.537 8.662 1.00 0.44 H new ATOM 267 N ILE A 18 4.239 -9.259 4.751 1.00 0.24 N ATOM 268 CA ILE A 18 4.841 -10.358 4.053 1.00 0.24 C ATOM 269 C ILE A 18 6.335 -10.302 4.251 1.00 0.27 C ATOM 270 O ILE A 18 6.907 -9.225 4.384 1.00 0.33 O ATOM 271 CB ILE A 18 4.486 -10.353 2.546 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.869 -11.689 1.918 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.170 -9.203 1.816 1.00 0.27 C ATOM 274 CD1 ILE A 18 4.110 -12.862 2.496 1.00 0.61 C ATOM 0 H ILE A 18 4.793 -8.403 4.768 1.00 0.24 H new ATOM 0 HA ILE A 18 4.447 -11.288 4.463 1.00 0.24 H new ATOM 0 HB ILE A 18 3.410 -10.209 2.450 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.689 -11.642 0.844 1.00 0.34 H new ATOM 0 HG13 ILE A 18 5.938 -11.854 2.055 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.899 -9.230 0.761 1.00 0.27 H new ATOM 0 HG22 ILE A 18 4.850 -8.255 2.249 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.251 -9.301 1.916 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.431 -13.781 2.005 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.310 -12.933 3.565 1.00 0.61 H new ATOM 0 HD13 ILE A 18 3.041 -12.719 2.335 1.00 0.61 H new ATOM 286 N HIS A 19 6.972 -11.446 4.319 1.00 0.30 N ATOM 287 CA HIS A 19 8.407 -11.463 4.462 1.00 0.33 C ATOM 288 C HIS A 19 9.031 -11.228 3.097 1.00 0.35 C ATOM 289 O HIS A 19 8.853 -12.039 2.193 1.00 0.40 O ATOM 290 CB HIS A 19 8.879 -12.775 5.098 1.00 0.39 C ATOM 291 CG HIS A 19 8.544 -12.877 6.565 1.00 0.44 C ATOM 292 ND1 HIS A 19 9.474 -13.170 7.542 1.00 0.54 N ATOM 293 CD2 HIS A 19 7.367 -12.707 7.223 1.00 0.46 C ATOM 294 CE1 HIS A 19 8.886 -13.180 8.725 1.00 0.60 C ATOM 295 NE2 HIS A 19 7.610 -12.900 8.558 1.00 0.56 N ATOM 0 H HIS A 19 6.528 -12.363 4.278 1.00 0.30 H new ATOM 0 HA HIS A 19 8.726 -10.667 5.135 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.424 -13.612 4.569 1.00 0.39 H new ATOM 0 HB3 HIS A 19 9.958 -12.866 4.971 1.00 0.39 H new ATOM 0 HD2 HIS A 19 6.414 -12.464 6.776 1.00 0.46 H new ATOM 0 HE1 HIS A 19 9.370 -13.383 9.669 1.00 0.60 H new ATOM 0 HE2 HIS A 19 6.915 -12.837 9.302 1.00 0.56 H new ATOM 304 N LYS A 20 9.675 -10.054 2.963 1.00 0.34 N ATOM 305 CA LYS A 20 10.337 -9.590 1.720 1.00 0.36 C ATOM 306 C LYS A 20 10.767 -10.749 0.805 1.00 0.36 C ATOM 307 O LYS A 20 11.285 -11.768 1.276 1.00 0.42 O ATOM 308 CB LYS A 20 11.559 -8.712 2.078 1.00 0.40 C ATOM 309 CG LYS A 20 12.866 -9.469 2.302 1.00 1.42 C ATOM 310 CD LYS A 20 12.836 -10.334 3.550 1.00 2.33 C ATOM 311 CE LYS A 20 14.129 -11.124 3.709 1.00 3.13 C ATOM 312 NZ LYS A 20 15.325 -10.236 3.766 1.00 4.00 N ATOM 0 H LYS A 20 9.754 -9.385 3.729 1.00 0.34 H new ATOM 0 HA LYS A 20 9.606 -9.005 1.163 1.00 0.36 H new ATOM 0 HB2 LYS A 20 11.711 -7.987 1.278 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.327 -8.147 2.981 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.071 -10.097 1.435 1.00 1.42 H new ATOM 0 HG3 LYS A 20 13.686 -8.755 2.379 1.00 1.42 H new ATOM 0 HD2 LYS A 20 12.682 -9.705 4.427 1.00 2.33 H new ATOM 0 HD3 LYS A 20 11.992 -11.021 3.498 1.00 2.33 H new ATOM 0 HE2 LYS A 20 14.078 -11.722 4.619 1.00 3.13 H new ATOM 0 HE3 LYS A 20 14.233 -11.819 2.876 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 16.021 -10.633 4.429 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 15.750 -10.165 2.820 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 15.040 -9.290 4.089 1.00 4.00 H new ATOM 326 N LEU A 21 10.602 -10.596 -0.508 1.00 0.33 N ATOM 327 CA LEU A 21 10.851 -11.731 -1.392 1.00 0.37 C ATOM 328 C LEU A 21 12.257 -11.654 -1.951 1.00 0.41 C ATOM 329 O LEU A 21 12.514 -10.938 -2.907 1.00 0.45 O ATOM 330 CB LEU A 21 9.832 -11.791 -2.533 1.00 0.38 C ATOM 331 CG LEU A 21 9.951 -13.025 -3.432 1.00 0.45 C ATOM 332 CD1 LEU A 21 9.640 -14.286 -2.641 1.00 0.55 C ATOM 333 CD2 LEU A 21 9.030 -12.903 -4.633 1.00 0.48 C ATOM 0 H LEU A 21 10.309 -9.734 -0.968 1.00 0.33 H new ATOM 0 HA LEU A 21 10.745 -12.643 -0.804 1.00 0.37 H new ATOM 0 HB2 LEU A 21 8.829 -11.763 -2.108 1.00 0.38 H new ATOM 0 HB3 LEU A 21 9.942 -10.898 -3.148 1.00 0.38 H new ATOM 0 HG LEU A 21 10.976 -13.091 -3.797 1.00 0.45 H new ATOM 0 HD11 LEU A 21 9.728 -15.155 -3.293 1.00 0.55 H new ATOM 0 HD12 LEU A 21 10.344 -14.379 -1.814 1.00 0.55 H new ATOM 0 HD13 LEU A 21 8.625 -14.228 -2.249 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.129 -13.790 -5.259 1.00 0.48 H new ATOM 0 HD22 LEU A 21 7.998 -12.813 -4.293 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.300 -12.019 -5.210 1.00 0.48 H new ATOM 345 N ARG A 22 13.164 -12.379 -1.330 1.00 0.51 N ATOM 346 CA ARG A 22 14.568 -12.294 -1.676 1.00 0.61 C ATOM 347 C ARG A 22 14.827 -12.698 -3.125 1.00 0.60 C ATOM 348 O ARG A 22 14.187 -13.596 -3.671 1.00 0.66 O ATOM 349 CB ARG A 22 15.404 -13.162 -0.742 1.00 0.88 C ATOM 350 CG ARG A 22 15.113 -14.646 -0.869 1.00 1.19 C ATOM 351 CD ARG A 22 16.104 -15.466 -0.072 1.00 1.94 C ATOM 352 NE ARG A 22 16.018 -15.190 1.359 1.00 2.47 N ATOM 353 CZ ARG A 22 17.076 -15.073 2.161 1.00 3.28 C ATOM 354 NH1 ARG A 22 18.313 -15.148 1.676 1.00 3.78 N ATOM 355 NH2 ARG A 22 16.890 -14.869 3.456 1.00 3.97 N ATOM 0 H ARG A 22 12.953 -13.037 -0.580 1.00 0.51 H new ATOM 0 HA ARG A 22 14.862 -11.251 -1.562 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.460 -12.989 -0.947 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.224 -12.852 0.287 1.00 0.88 H new ATOM 0 HG2 ARG A 22 14.101 -14.852 -0.520 1.00 1.19 H new ATOM 0 HG3 ARG A 22 15.154 -14.939 -1.918 1.00 1.19 H new ATOM 0 HD2 ARG A 22 15.922 -16.526 -0.248 1.00 1.94 H new ATOM 0 HD3 ARG A 22 17.114 -15.254 -0.422 1.00 1.94 H new ATOM 0 HE ARG A 22 15.091 -15.080 1.770 1.00 2.47 H new ATOM 0 HH11 ARG A 22 18.461 -15.297 0.678 1.00 3.78 H new ATOM 0 HH12 ARG A 22 19.113 -15.057 2.302 1.00 3.78 H new ATOM 0 HH21 ARG A 22 15.944 -14.803 3.831 1.00 3.97 H new ATOM 0 HH22 ARG A 22 17.693 -14.778 4.078 1.00 3.97 H new ATOM 369 N GLN A 23 15.758 -11.996 -3.742 1.00 0.68 N ATOM 370 CA GLN A 23 16.244 -12.343 -5.057 1.00 0.81 C ATOM 371 C GLN A 23 17.753 -12.404 -5.000 1.00 0.93 C ATOM 372 O GLN A 23 18.416 -11.381 -5.157 1.00 1.02 O ATOM 373 CB GLN A 23 15.834 -11.284 -6.072 1.00 0.90 C ATOM 374 CG GLN A 23 15.695 -11.828 -7.475 1.00 1.04 C ATOM 375 CD GLN A 23 14.365 -12.532 -7.721 1.00 0.92 C ATOM 376 OE1 GLN A 23 13.757 -13.078 -6.672 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 13.872 -12.561 -8.848 1.00 0.69 N flip ATOM 0 H GLN A 23 16.198 -11.167 -3.342 1.00 0.68 H new ATOM 0 HA GLN A 23 15.823 -13.302 -5.359 1.00 0.81 H new ATOM 0 HB2 GLN A 23 14.886 -10.843 -5.765 1.00 0.90 H new ATOM 0 HB3 GLN A 23 16.573 -10.483 -6.071 1.00 0.90 H new ATOM 0 HG2 GLN A 23 15.802 -11.009 -8.187 1.00 1.04 H new ATOM 0 HG3 GLN A 23 16.509 -12.527 -7.668 1.00 1.04 H new ATOM 0 HE21 GLN A 23 14.365 -12.132 -9.631 1.00 0.69 H new ATOM 0 HE22 GLN A 23 12.970 -13.014 -8.999 1.00 0.69 H new ATOM 386 N GLY A 24 18.293 -13.584 -4.766 1.00 1.03 N ATOM 387 CA GLY A 24 19.714 -13.706 -4.541 1.00 1.19 C ATOM 388 C GLY A 24 20.119 -13.077 -3.229 1.00 1.23 C ATOM 389 O GLY A 24 20.329 -13.772 -2.239 1.00 1.33 O ATOM 0 H GLY A 24 17.774 -14.461 -4.728 1.00 1.03 H new ATOM 0 HA2 GLY A 24 19.995 -14.759 -4.544 1.00 1.19 H new ATOM 0 HA3 GLY A 24 20.256 -13.229 -5.358 1.00 1.19 H new ATOM 393 N GLU A 25 20.216 -11.754 -3.221 1.00 1.27 N ATOM 394 CA GLU A 25 20.560 -11.019 -2.011 1.00 1.43 C ATOM 395 C GLU A 25 19.721 -9.758 -1.894 1.00 1.40 C ATOM 396 O GLU A 25 19.988 -8.891 -1.064 1.00 1.61 O ATOM 397 CB GLU A 25 22.040 -10.655 -2.010 1.00 1.67 C ATOM 398 CG GLU A 25 22.941 -11.847 -2.251 1.00 1.84 C ATOM 399 CD GLU A 25 24.404 -11.478 -2.250 1.00 2.03 C ATOM 400 OE1 GLU A 25 24.772 -10.480 -2.900 1.00 2.21 O ATOM 401 OE2 GLU A 25 25.195 -12.179 -1.583 1.00 2.33 O ATOM 0 H GLU A 25 20.061 -11.167 -4.041 1.00 1.27 H new ATOM 0 HA GLU A 25 20.352 -11.661 -1.155 1.00 1.43 H new ATOM 0 HB2 GLU A 25 22.225 -9.905 -2.779 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.296 -10.200 -1.053 1.00 1.67 H new ATOM 0 HG2 GLU A 25 22.759 -12.597 -1.481 1.00 1.84 H new ATOM 0 HG3 GLU A 25 22.686 -12.303 -3.207 1.00 1.84 H new ATOM 408 N ASN A 26 18.701 -9.663 -2.731 1.00 1.21 N ATOM 409 CA ASN A 26 17.845 -8.482 -2.758 1.00 1.23 C ATOM 410 C ASN A 26 16.490 -8.821 -2.175 1.00 1.05 C ATOM 411 O ASN A 26 16.272 -9.943 -1.728 1.00 1.06 O ATOM 412 CB ASN A 26 17.668 -7.973 -4.188 1.00 1.31 C ATOM 413 CG ASN A 26 18.982 -7.874 -4.927 1.00 1.39 C ATOM 414 OD1 ASN A 26 19.665 -6.853 -4.879 1.00 1.87 O ATOM 415 ND2 ASN A 26 19.336 -8.941 -5.623 1.00 1.33 N ATOM 0 H ASN A 26 18.443 -10.387 -3.401 1.00 1.21 H new ATOM 0 HA ASN A 26 18.319 -7.700 -2.164 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.999 -8.642 -4.729 1.00 1.31 H new ATOM 0 HB3 ASN A 26 17.191 -6.993 -4.166 1.00 1.31 H new ATOM 0 HD21 ASN A 26 20.209 -8.939 -6.150 1.00 1.33 H new ATOM 0 HD22 ASN A 26 18.736 -9.766 -5.633 1.00 1.33 H new ATOM 422 N LEU A 27 15.582 -7.860 -2.177 1.00 0.95 N ATOM 423 CA LEU A 27 14.221 -8.118 -1.764 1.00 0.82 C ATOM 424 C LEU A 27 13.293 -7.624 -2.855 1.00 0.71 C ATOM 425 O LEU A 27 13.504 -6.555 -3.423 1.00 0.81 O ATOM 426 CB LEU A 27 13.889 -7.458 -0.413 1.00 0.93 C ATOM 427 CG LEU A 27 13.272 -6.056 -0.475 1.00 1.28 C ATOM 428 CD1 LEU A 27 12.683 -5.668 0.872 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.310 -5.028 -0.897 1.00 1.62 C ATOM 0 H LEU A 27 15.766 -6.897 -2.460 1.00 0.95 H new ATOM 0 HA LEU A 27 14.091 -9.190 -1.616 1.00 0.82 H new ATOM 0 HB2 LEU A 27 13.202 -8.110 0.127 1.00 0.93 H new ATOM 0 HB3 LEU A 27 14.805 -7.403 0.175 1.00 0.93 H new ATOM 0 HG LEU A 27 12.474 -6.075 -1.217 1.00 1.28 H new ATOM 0 HD11 LEU A 27 12.250 -4.670 0.806 1.00 2.28 H new ATOM 0 HD12 LEU A 27 11.907 -6.382 1.149 1.00 2.28 H new ATOM 0 HD13 LEU A 27 13.468 -5.674 1.628 1.00 2.28 H new ATOM 0 HD21 LEU A 27 13.850 -4.041 -0.934 1.00 1.62 H new ATOM 0 HD22 LEU A 27 15.128 -5.020 -0.177 1.00 1.62 H new ATOM 0 HD23 LEU A 27 14.697 -5.285 -1.883 1.00 1.62 H new ATOM 441 N ILE A 28 12.307 -8.416 -3.187 1.00 0.57 N ATOM 442 CA ILE A 28 11.384 -8.044 -4.223 1.00 0.52 C ATOM 443 C ILE A 28 10.080 -7.556 -3.633 1.00 0.44 C ATOM 444 O ILE A 28 9.572 -8.120 -2.643 1.00 0.43 O ATOM 445 CB ILE A 28 11.150 -9.207 -5.222 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.928 -8.938 -6.513 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.665 -9.406 -5.531 1.00 0.47 C ATOM 448 CD1 ILE A 28 13.381 -8.568 -6.292 1.00 0.80 C ATOM 0 H ILE A 28 12.124 -9.321 -2.755 1.00 0.57 H new ATOM 0 HA ILE A 28 11.828 -7.221 -4.783 1.00 0.52 H new ATOM 0 HB ILE A 28 11.510 -10.126 -4.759 1.00 0.53 H new ATOM 0 HG12 ILE A 28 11.882 -9.825 -7.144 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.438 -8.132 -7.059 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.547 -10.230 -6.234 1.00 0.47 H new ATOM 0 HG22 ILE A 28 9.129 -9.636 -4.610 1.00 0.47 H new ATOM 0 HG23 ILE A 28 9.259 -8.494 -5.969 1.00 0.47 H new ATOM 0 HD11 ILE A 28 13.862 -8.393 -7.254 1.00 0.80 H new ATOM 0 HD12 ILE A 28 13.438 -7.662 -5.688 1.00 0.80 H new ATOM 0 HD13 ILE A 28 13.889 -9.382 -5.775 1.00 0.80 H new ATOM 460 N LEU A 29 9.582 -6.485 -4.239 1.00 0.51 N ATOM 461 CA LEU A 29 8.317 -5.879 -3.884 1.00 0.55 C ATOM 462 C LEU A 29 7.256 -6.372 -4.862 1.00 0.73 C ATOM 463 O LEU A 29 7.418 -6.237 -6.073 1.00 1.74 O ATOM 464 CB LEU A 29 8.454 -4.358 -3.963 1.00 0.71 C ATOM 465 CG LEU A 29 7.493 -3.564 -3.090 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.786 -3.824 -1.620 1.00 1.28 C ATOM 467 CD2 LEU A 29 7.603 -2.084 -3.416 1.00 1.33 C ATOM 0 H LEU A 29 10.060 -6.009 -5.004 1.00 0.51 H new ATOM 0 HA LEU A 29 8.027 -6.152 -2.869 1.00 0.55 H new ATOM 0 HB2 LEU A 29 9.474 -4.088 -3.688 1.00 0.71 H new ATOM 0 HB3 LEU A 29 8.312 -4.052 -4.999 1.00 0.71 H new ATOM 0 HG LEU A 29 6.471 -3.885 -3.293 1.00 0.74 H new ATOM 0 HD11 LEU A 29 7.093 -3.251 -1.004 1.00 1.28 H new ATOM 0 HD12 LEU A 29 7.667 -4.887 -1.408 1.00 1.28 H new ATOM 0 HD13 LEU A 29 8.808 -3.521 -1.394 1.00 1.28 H new ATOM 0 HD21 LEU A 29 6.913 -1.521 -2.788 1.00 1.33 H new ATOM 0 HD22 LEU A 29 8.622 -1.745 -3.230 1.00 1.33 H new ATOM 0 HD23 LEU A 29 7.353 -1.923 -4.465 1.00 1.33 H new ATOM 479 N GLY A 30 6.185 -6.955 -4.347 1.00 0.40 N ATOM 480 CA GLY A 30 5.228 -7.623 -5.213 1.00 0.32 C ATOM 481 C GLY A 30 4.063 -6.750 -5.637 1.00 0.35 C ATOM 482 O GLY A 30 2.945 -7.231 -5.754 1.00 0.69 O ATOM 0 H GLY A 30 5.959 -6.980 -3.353 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.746 -7.977 -6.104 1.00 0.32 H new ATOM 0 HA3 GLY A 30 4.841 -8.503 -4.699 1.00 0.32 H new ATOM 486 N PHE A 31 4.313 -5.474 -5.839 1.00 0.29 N ATOM 487 CA PHE A 31 3.299 -4.540 -6.293 1.00 0.28 C ATOM 488 C PHE A 31 3.967 -3.341 -6.942 1.00 0.31 C ATOM 489 O PHE A 31 5.185 -3.197 -6.843 1.00 0.42 O ATOM 490 CB PHE A 31 2.421 -4.095 -5.121 1.00 0.28 C ATOM 491 CG PHE A 31 3.177 -3.541 -3.933 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.484 -2.191 -3.863 1.00 0.42 C ATOM 493 CD2 PHE A 31 3.611 -4.370 -2.905 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.203 -1.678 -2.800 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.329 -3.860 -1.835 1.00 0.42 C ATOM 496 CZ PHE A 31 4.514 -2.529 -1.708 1.00 0.51 C ATOM 0 H PHE A 31 5.230 -5.051 -5.693 1.00 0.29 H new ATOM 0 HA PHE A 31 2.662 -5.033 -7.027 1.00 0.28 H new ATOM 0 HB2 PHE A 31 1.724 -3.336 -5.476 1.00 0.28 H new ATOM 0 HB3 PHE A 31 1.825 -4.945 -4.789 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.156 -1.530 -4.651 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.386 -5.426 -2.941 1.00 0.33 H new ATOM 0 HE1 PHE A 31 4.523 -0.646 -2.800 1.00 0.50 H new ATOM 0 HE2 PHE A 31 4.743 -4.532 -1.098 1.00 0.42 H new ATOM 0 HZ PHE A 31 4.895 -2.116 -0.785 1.00 0.51 H new ATOM 506 N SER A 32 3.204 -2.475 -7.602 1.00 0.25 N ATOM 507 CA SER A 32 3.782 -1.245 -8.064 1.00 0.23 C ATOM 508 C SER A 32 3.309 -0.140 -7.151 1.00 0.23 C ATOM 509 O SER A 32 2.302 -0.298 -6.466 1.00 0.29 O ATOM 510 CB SER A 32 3.417 -0.976 -9.509 1.00 0.25 C ATOM 511 OG SER A 32 4.527 -0.513 -10.257 1.00 0.53 O ATOM 0 H SER A 32 2.216 -2.606 -7.818 1.00 0.25 H new ATOM 0 HA SER A 32 4.870 -1.305 -8.033 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.030 -1.889 -9.962 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.618 -0.236 -9.550 1.00 0.25 H new ATOM 0 HG SER A 32 4.253 -0.352 -11.184 1.00 0.53 H new ATOM 517 N ILE A 33 4.011 0.970 -7.128 1.00 0.23 N ATOM 518 CA ILE A 33 3.777 1.945 -6.082 1.00 0.25 C ATOM 519 C ILE A 33 4.121 3.368 -6.496 1.00 0.25 C ATOM 520 O ILE A 33 5.158 3.624 -7.109 1.00 0.32 O ATOM 521 CB ILE A 33 4.623 1.594 -4.829 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.537 2.709 -3.775 1.00 0.33 C ATOM 523 CG2 ILE A 33 6.069 1.345 -5.230 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.600 2.615 -2.698 1.00 0.37 C ATOM 0 H ILE A 33 4.733 1.219 -7.804 1.00 0.23 H new ATOM 0 HA ILE A 33 2.709 1.903 -5.868 1.00 0.25 H new ATOM 0 HB ILE A 33 4.219 0.684 -4.384 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.622 3.675 -4.273 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.554 2.678 -3.306 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.655 1.099 -4.344 1.00 0.49 H new ATOM 0 HG22 ILE A 33 6.113 0.516 -5.936 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.476 2.241 -5.698 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.475 3.435 -1.991 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.503 1.665 -2.173 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.588 2.677 -3.155 1.00 0.37 H new ATOM 536 N GLY A 34 3.233 4.283 -6.162 1.00 0.26 N ATOM 537 CA GLY A 34 3.635 5.651 -5.996 1.00 0.43 C ATOM 538 C GLY A 34 2.841 6.291 -4.894 1.00 0.30 C ATOM 539 O GLY A 34 1.619 6.320 -4.917 1.00 0.72 O ATOM 0 H GLY A 34 2.242 4.100 -6.004 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.699 5.700 -5.764 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.486 6.198 -6.927 1.00 0.43 H new ATOM 543 N GLY A 35 3.543 6.707 -3.879 1.00 0.77 N ATOM 544 CA GLY A 35 2.940 7.480 -2.829 1.00 0.93 C ATOM 545 C GLY A 35 3.841 8.580 -2.383 1.00 0.73 C ATOM 546 O GLY A 35 4.934 8.301 -1.925 1.00 1.42 O ATOM 0 H GLY A 35 4.539 6.523 -3.755 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.996 7.899 -3.178 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.708 6.832 -1.984 1.00 0.93 H new ATOM 550 N GLY A 36 3.446 9.811 -2.529 1.00 0.40 N ATOM 551 CA GLY A 36 4.302 10.859 -2.036 1.00 0.39 C ATOM 552 C GLY A 36 3.614 12.196 -1.981 1.00 0.35 C ATOM 553 O GLY A 36 2.902 12.558 -2.915 1.00 0.48 O ATOM 0 H GLY A 36 2.574 10.111 -2.966 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.654 10.595 -1.039 1.00 0.39 H new ATOM 0 HA3 GLY A 36 5.182 10.934 -2.675 1.00 0.39 H new ATOM 557 N ILE A 37 3.818 12.941 -0.910 1.00 0.37 N ATOM 558 CA ILE A 37 3.713 14.386 -0.999 1.00 0.41 C ATOM 559 C ILE A 37 4.716 14.852 -2.033 1.00 0.38 C ATOM 560 O ILE A 37 4.577 15.906 -2.655 1.00 0.46 O ATOM 561 CB ILE A 37 4.021 15.057 0.337 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.247 14.392 0.974 1.00 0.47 C ATOM 563 CG2 ILE A 37 2.809 15.001 1.241 1.00 0.52 C ATOM 564 CD1 ILE A 37 5.682 15.041 2.269 1.00 0.49 C ATOM 0 H ILE A 37 4.053 12.579 0.014 1.00 0.37 H new ATOM 0 HA ILE A 37 2.694 14.656 -1.275 1.00 0.41 H new ATOM 0 HB ILE A 37 4.256 16.109 0.178 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.025 13.341 1.160 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.075 14.422 0.266 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.041 15.483 2.191 1.00 0.52 H new ATOM 0 HG22 ILE A 37 1.976 15.519 0.765 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.536 13.961 1.419 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.554 14.519 2.663 1.00 0.49 H new ATOM 0 HD12 ILE A 37 5.936 16.085 2.085 1.00 0.49 H new ATOM 0 HD13 ILE A 37 4.869 14.988 2.994 1.00 0.49 H new ATOM 576 N ASP A 38 5.732 14.008 -2.194 1.00 0.35 N ATOM 577 CA ASP A 38 6.721 14.143 -3.233 1.00 0.40 C ATOM 578 C ASP A 38 6.044 14.183 -4.604 1.00 0.56 C ATOM 579 O ASP A 38 6.372 15.008 -5.459 1.00 0.69 O ATOM 580 CB ASP A 38 7.675 12.951 -3.180 1.00 0.39 C ATOM 581 CG ASP A 38 8.467 12.760 -4.451 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.445 13.509 -4.649 1.00 0.68 O ATOM 583 OD2 ASP A 38 8.096 11.892 -5.261 1.00 0.72 O ATOM 0 H ASP A 38 5.884 13.200 -1.590 1.00 0.35 H new ATOM 0 HA ASP A 38 7.273 15.070 -3.079 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.365 13.084 -2.347 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.103 12.046 -2.978 1.00 0.39 H new ATOM 588 N GLN A 39 5.067 13.283 -4.779 1.00 0.63 N ATOM 589 CA GLN A 39 4.431 13.046 -6.071 1.00 0.85 C ATOM 590 C GLN A 39 3.679 14.275 -6.582 1.00 0.93 C ATOM 591 O GLN A 39 3.885 14.706 -7.719 1.00 1.19 O ATOM 592 CB GLN A 39 3.471 11.849 -5.972 1.00 0.98 C ATOM 593 CG GLN A 39 4.144 10.540 -5.581 1.00 1.00 C ATOM 594 CD GLN A 39 5.058 9.990 -6.661 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.639 9.185 -7.488 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.310 10.421 -6.671 1.00 0.82 N ATOM 0 H GLN A 39 4.699 12.702 -4.026 1.00 0.63 H new ATOM 0 HA GLN A 39 5.223 12.827 -6.787 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.696 12.079 -5.241 1.00 0.98 H new ATOM 0 HB3 GLN A 39 2.974 11.716 -6.933 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.722 10.694 -4.670 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.378 9.800 -5.351 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.625 11.090 -5.969 1.00 0.82 H new ATOM 0 HE22 GLN A 39 6.960 10.084 -7.381 1.00 0.82 H new ATOM 815 N GLY A 54 -0.520 10.525 0.486 1.00 0.78 N ATOM 816 CA GLY A 54 0.285 9.626 1.252 1.00 0.65 C ATOM 817 C GLY A 54 1.000 8.693 0.323 1.00 0.53 C ATOM 818 O GLY A 54 1.514 9.129 -0.712 1.00 0.57 O ATOM 0 HA2 GLY A 54 1.004 10.184 1.852 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -0.338 9.061 1.945 1.00 0.65 H new ATOM 822 N ILE A 55 1.021 7.410 0.638 1.00 0.48 N ATOM 823 CA ILE A 55 1.625 6.460 -0.270 1.00 0.40 C ATOM 824 C ILE A 55 0.562 5.486 -0.740 1.00 0.33 C ATOM 825 O ILE A 55 -0.304 5.156 0.026 1.00 0.43 O ATOM 826 CB ILE A 55 2.832 5.749 0.387 1.00 0.46 C ATOM 827 CG1 ILE A 55 4.072 6.644 0.292 1.00 0.51 C ATOM 828 CG2 ILE A 55 3.112 4.408 -0.275 1.00 0.45 C ATOM 829 CD1 ILE A 55 4.051 7.909 1.136 1.00 0.54 C ATOM 0 H ILE A 55 0.636 7.012 1.495 1.00 0.48 H new ATOM 0 HA ILE A 55 2.022 6.982 -1.141 1.00 0.40 H new ATOM 0 HB ILE A 55 2.590 5.565 1.434 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.943 6.055 0.579 1.00 0.51 H new ATOM 0 HG13 ILE A 55 4.210 6.930 -0.751 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.966 3.934 0.210 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.237 3.765 -0.179 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.334 4.563 -1.331 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.979 8.461 0.987 1.00 0.54 H new ATOM 0 HD12 ILE A 55 3.207 8.531 0.838 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.952 7.643 2.188 1.00 0.54 H new ATOM 841 N TYR A 56 0.556 5.081 -2.013 1.00 0.25 N ATOM 842 CA TYR A 56 -0.505 4.216 -2.495 1.00 0.23 C ATOM 843 C TYR A 56 0.042 3.208 -3.464 1.00 0.18 C ATOM 844 O TYR A 56 0.948 3.492 -4.248 1.00 0.28 O ATOM 845 CB TYR A 56 -1.668 4.987 -3.147 1.00 0.36 C ATOM 846 CG TYR A 56 -1.428 6.458 -3.306 1.00 0.32 C ATOM 847 CD1 TYR A 56 -1.445 7.291 -2.208 1.00 0.67 C ATOM 848 CD2 TYR A 56 -1.164 6.997 -4.548 1.00 0.83 C ATOM 849 CE1 TYR A 56 -1.203 8.643 -2.337 1.00 0.90 C ATOM 850 CE2 TYR A 56 -0.919 8.348 -4.696 1.00 1.14 C ATOM 851 CZ TYR A 56 -0.935 9.167 -3.583 1.00 1.01 C ATOM 852 OH TYR A 56 -0.689 10.514 -3.719 1.00 1.42 O ATOM 0 H TYR A 56 1.259 5.334 -2.708 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.910 3.710 -1.619 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -1.868 4.556 -4.128 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.566 4.841 -2.546 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -1.651 6.879 -1.231 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -1.149 6.354 -5.416 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -1.223 9.285 -1.469 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -0.717 8.761 -5.673 1.00 1.14 H new ATOM 0 HH TYR A 56 -0.517 10.722 -4.661 1.00 1.42 H new ATOM 862 N VAL A 57 -0.496 2.020 -3.377 1.00 0.18 N ATOM 863 CA VAL A 57 -0.093 0.962 -4.251 1.00 0.17 C ATOM 864 C VAL A 57 -0.819 1.068 -5.572 1.00 0.16 C ATOM 865 O VAL A 57 -2.016 1.364 -5.607 1.00 0.22 O ATOM 866 CB VAL A 57 -0.334 -0.421 -3.618 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.801 -0.734 -3.420 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.326 -1.507 -4.439 1.00 0.58 C ATOM 0 H VAL A 57 -1.218 1.765 -2.704 1.00 0.18 H new ATOM 0 HA VAL A 57 0.978 1.065 -4.423 1.00 0.17 H new ATOM 0 HB VAL A 57 0.120 -0.389 -2.627 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.905 -1.722 -2.971 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.247 0.012 -2.763 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -2.310 -0.719 -4.384 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.144 -2.476 -3.974 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -0.089 -1.504 -5.447 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.399 -1.324 -4.488 1.00 0.58 H new ATOM 878 N THR A 58 -0.067 0.880 -6.640 1.00 0.17 N ATOM 879 CA THR A 58 -0.613 0.787 -7.968 1.00 0.24 C ATOM 880 C THR A 58 -0.108 -0.490 -8.624 1.00 0.38 C ATOM 881 O THR A 58 0.777 -0.458 -9.459 1.00 1.11 O ATOM 882 CB THR A 58 -0.259 2.008 -8.832 1.00 0.39 C ATOM 883 OG1 THR A 58 -0.584 3.209 -8.123 1.00 0.83 O ATOM 884 CG2 THR A 58 -1.025 1.967 -10.146 1.00 0.69 C ATOM 0 H THR A 58 0.948 0.788 -6.603 1.00 0.17 H new ATOM 0 HA THR A 58 -1.700 0.764 -7.887 1.00 0.24 H new ATOM 0 HB THR A 58 0.809 1.989 -9.047 1.00 0.39 H new ATOM 0 HG1 THR A 58 -0.356 3.986 -8.675 1.00 0.83 H new ATOM 0 HG21 THR A 58 -0.764 2.838 -10.747 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.765 1.059 -10.691 1.00 0.69 H new ATOM 0 HG23 THR A 58 -2.096 1.974 -9.943 1.00 0.69 H new ATOM 892 N ARG A 59 -0.550 -1.598 -8.051 1.00 0.31 N ATOM 893 CA ARG A 59 -0.531 -2.938 -8.648 1.00 0.26 C ATOM 894 C ARG A 59 -0.398 -3.994 -7.572 1.00 0.26 C ATOM 895 O ARG A 59 -0.574 -3.717 -6.384 1.00 0.27 O ATOM 896 CB ARG A 59 0.609 -3.160 -9.640 1.00 0.26 C ATOM 897 CG ARG A 59 0.264 -2.798 -11.065 1.00 0.34 C ATOM 898 CD ARG A 59 1.256 -3.433 -12.027 1.00 0.45 C ATOM 899 NE ARG A 59 1.157 -2.892 -13.380 1.00 1.06 N ATOM 900 CZ ARG A 59 1.599 -3.526 -14.460 1.00 1.50 C ATOM 901 NH1 ARG A 59 2.052 -4.771 -14.362 1.00 1.52 N ATOM 902 NH2 ARG A 59 1.562 -2.922 -15.640 1.00 2.27 N ATOM 0 H ARG A 59 -0.952 -1.595 -7.113 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.475 -3.019 -9.187 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.471 -2.571 -9.325 1.00 0.26 H new ATOM 0 HB3 ARG A 59 0.909 -4.207 -9.605 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.746 -3.135 -11.299 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.274 -1.715 -11.185 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.268 -3.279 -11.652 1.00 0.45 H new ATOM 0 HD3 ARG A 59 1.087 -4.509 -12.058 1.00 0.45 H new ATOM 0 HE ARG A 59 0.724 -1.976 -13.502 1.00 1.06 H new ATOM 0 HH11 ARG A 59 2.061 -5.241 -13.457 1.00 1.52 H new ATOM 0 HH12 ARG A 59 2.391 -5.257 -15.192 1.00 1.52 H new ATOM 0 HH21 ARG A 59 1.195 -1.973 -15.716 1.00 2.27 H new ATOM 0 HH22 ARG A 59 1.901 -3.406 -16.472 1.00 2.27 H new ATOM 916 N VAL A 60 -0.170 -5.209 -8.047 1.00 0.26 N ATOM 917 CA VAL A 60 0.379 -6.321 -7.275 1.00 0.27 C ATOM 918 C VAL A 60 0.906 -7.324 -8.276 1.00 0.36 C ATOM 919 O VAL A 60 0.124 -7.910 -9.026 1.00 0.51 O ATOM 920 CB VAL A 60 -0.615 -7.072 -6.349 1.00 0.33 C ATOM 921 CG1 VAL A 60 0.103 -8.235 -5.683 1.00 0.83 C ATOM 922 CG2 VAL A 60 -1.207 -6.174 -5.285 1.00 0.75 C ATOM 0 H VAL A 60 -0.368 -5.460 -9.016 1.00 0.26 H new ATOM 0 HA VAL A 60 1.127 -5.889 -6.610 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.437 -7.428 -6.970 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.591 -8.766 -5.031 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.477 -8.917 -6.447 1.00 0.83 H new ATOM 0 HG13 VAL A 60 0.938 -7.857 -5.093 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.895 -6.749 -4.665 1.00 0.75 H new ATOM 0 HG22 VAL A 60 -0.408 -5.771 -4.663 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.745 -5.354 -5.760 1.00 0.75 H new ATOM 932 N SER A 61 2.213 -7.487 -8.336 1.00 0.45 N ATOM 933 CA SER A 61 2.789 -8.429 -9.268 1.00 0.56 C ATOM 934 C SER A 61 2.489 -9.844 -8.826 1.00 0.56 C ATOM 935 O SER A 61 2.240 -10.112 -7.649 1.00 0.64 O ATOM 936 CB SER A 61 4.289 -8.256 -9.404 1.00 0.72 C ATOM 937 OG SER A 61 4.638 -6.895 -9.594 1.00 1.65 O ATOM 0 H SER A 61 2.887 -6.985 -7.757 1.00 0.45 H new ATOM 0 HA SER A 61 2.338 -8.234 -10.241 1.00 0.56 H new ATOM 0 HB2 SER A 61 4.783 -8.639 -8.511 1.00 0.72 H new ATOM 0 HB3 SER A 61 4.650 -8.847 -10.246 1.00 0.72 H new ATOM 0 HG SER A 61 5.611 -6.815 -9.677 1.00 1.65 H new ATOM 943 N GLU A 62 2.560 -10.743 -9.768 1.00 0.68 N ATOM 944 CA GLU A 62 2.099 -12.089 -9.570 1.00 0.73 C ATOM 945 C GLU A 62 3.247 -13.019 -9.220 1.00 0.74 C ATOM 946 O GLU A 62 4.305 -12.999 -9.852 1.00 0.84 O ATOM 947 CB GLU A 62 1.388 -12.504 -10.838 1.00 0.86 C ATOM 948 CG GLU A 62 2.313 -12.859 -11.976 1.00 1.45 C ATOM 949 CD GLU A 62 1.639 -12.751 -13.324 1.00 1.62 C ATOM 950 OE1 GLU A 62 0.685 -13.519 -13.577 1.00 1.75 O ATOM 951 OE2 GLU A 62 2.058 -11.899 -14.137 1.00 1.85 O ATOM 0 H GLU A 62 2.940 -10.562 -10.697 1.00 0.68 H new ATOM 0 HA GLU A 62 1.412 -12.146 -8.725 1.00 0.73 H new ATOM 0 HB2 GLU A 62 0.751 -13.362 -10.621 1.00 0.86 H new ATOM 0 HB3 GLU A 62 0.733 -11.693 -11.156 1.00 0.86 H new ATOM 0 HG2 GLU A 62 3.181 -12.200 -11.954 1.00 1.45 H new ATOM 0 HG3 GLU A 62 2.681 -13.876 -11.838 1.00 1.45 H new ATOM 958 N GLY A 63 3.059 -13.788 -8.163 1.00 0.76 N ATOM 959 CA GLY A 63 4.054 -14.761 -7.784 1.00 0.86 C ATOM 960 C GLY A 63 5.007 -14.200 -6.757 1.00 0.80 C ATOM 961 O GLY A 63 5.822 -14.926 -6.184 1.00 0.92 O ATOM 0 H GLY A 63 2.236 -13.756 -7.562 1.00 0.76 H new ATOM 0 HA2 GLY A 63 3.564 -15.648 -7.382 1.00 0.86 H new ATOM 0 HA3 GLY A 63 4.611 -15.077 -8.666 1.00 0.86 H new ATOM 965 N GLY A 64 4.909 -12.893 -6.535 1.00 0.67 N ATOM 966 CA GLY A 64 5.687 -12.264 -5.495 1.00 0.66 C ATOM 967 C GLY A 64 5.003 -12.363 -4.162 1.00 0.63 C ATOM 968 O GLY A 64 4.134 -13.199 -3.971 1.00 0.99 O ATOM 0 H GLY A 64 4.303 -12.262 -7.059 1.00 0.67 H new ATOM 0 HA2 GLY A 64 6.668 -12.735 -5.438 1.00 0.66 H new ATOM 0 HA3 GLY A 64 5.850 -11.216 -5.745 1.00 0.66 H new ATOM 972 N PRO A 65 5.361 -11.494 -3.228 1.00 0.37 N ATOM 973 CA PRO A 65 4.915 -11.597 -1.848 1.00 0.27 C ATOM 974 C PRO A 65 3.621 -10.873 -1.527 1.00 0.23 C ATOM 975 O PRO A 65 2.855 -11.302 -0.667 1.00 0.29 O ATOM 976 CB PRO A 65 6.084 -10.977 -1.126 1.00 0.32 C ATOM 977 CG PRO A 65 6.543 -9.874 -2.024 1.00 0.43 C ATOM 978 CD PRO A 65 6.278 -10.354 -3.426 1.00 0.44 C ATOM 0 HA PRO A 65 4.670 -12.622 -1.572 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.788 -10.595 -0.149 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.877 -11.706 -0.957 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.002 -8.950 -1.818 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.602 -9.663 -1.876 1.00 0.43 H new ATOM 0 HD2 PRO A 65 5.825 -9.575 -4.039 1.00 0.44 H new ATOM 0 HD3 PRO A 65 7.197 -10.659 -3.927 1.00 0.44 H new ATOM 986 N ALA A 66 3.368 -9.803 -2.232 1.00 0.22 N ATOM 987 CA ALA A 66 2.234 -8.952 -1.943 1.00 0.24 C ATOM 988 C ALA A 66 0.919 -9.645 -2.272 1.00 0.29 C ATOM 989 O ALA A 66 -0.126 -9.304 -1.726 1.00 0.36 O ATOM 990 CB ALA A 66 2.380 -7.676 -2.720 1.00 0.27 C ATOM 0 H ALA A 66 3.936 -9.493 -3.020 1.00 0.22 H new ATOM 0 HA ALA A 66 2.214 -8.731 -0.876 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.532 -7.024 -2.512 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.303 -7.175 -2.427 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.412 -7.901 -3.786 1.00 0.27 H new ATOM 996 N GLU A 67 0.986 -10.624 -3.158 1.00 0.30 N ATOM 997 CA GLU A 67 -0.178 -11.416 -3.518 1.00 0.42 C ATOM 998 C GLU A 67 -0.529 -12.335 -2.357 1.00 0.39 C ATOM 999 O GLU A 67 -1.697 -12.547 -2.027 1.00 0.45 O ATOM 1000 CB GLU A 67 0.137 -12.227 -4.781 1.00 0.53 C ATOM 1001 CG GLU A 67 -0.958 -13.190 -5.215 1.00 0.77 C ATOM 1002 CD GLU A 67 -2.217 -12.490 -5.681 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -2.231 -11.993 -6.827 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -3.200 -12.458 -4.916 1.00 1.79 O ATOM 0 H GLU A 67 1.842 -10.891 -3.645 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.031 -10.770 -3.724 1.00 0.42 H new ATOM 0 HB2 GLU A 67 0.337 -11.535 -5.599 1.00 0.53 H new ATOM 0 HB3 GLU A 67 1.053 -12.794 -4.612 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -0.581 -13.820 -6.021 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -1.204 -13.850 -4.383 1.00 0.77 H new ATOM 1011 N ILE A 68 0.516 -12.843 -1.723 1.00 0.31 N ATOM 1012 CA ILE A 68 0.382 -13.762 -0.599 1.00 0.31 C ATOM 1013 C ILE A 68 -0.171 -13.036 0.625 1.00 0.28 C ATOM 1014 O ILE A 68 -1.084 -13.530 1.293 1.00 0.34 O ATOM 1015 CB ILE A 68 1.741 -14.434 -0.254 1.00 0.30 C ATOM 1016 CG1 ILE A 68 2.154 -15.446 -1.336 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.674 -15.126 1.099 1.00 0.32 C ATOM 1018 CD1 ILE A 68 2.161 -14.897 -2.739 1.00 0.51 C ATOM 0 H ILE A 68 1.482 -12.631 -1.972 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.319 -14.544 -0.892 1.00 0.31 H new ATOM 0 HB ILE A 68 2.493 -13.646 -0.212 1.00 0.30 H new ATOM 0 HG12 ILE A 68 3.150 -15.822 -1.102 1.00 0.39 H new ATOM 0 HG13 ILE A 68 1.475 -16.298 -1.297 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.636 -15.589 1.319 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.439 -14.393 1.871 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.899 -15.892 1.078 1.00 0.32 H new ATOM 0 HD11 ILE A 68 2.464 -15.680 -3.434 1.00 0.51 H new ATOM 0 HD12 ILE A 68 1.161 -14.548 -2.998 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.863 -14.065 -2.801 1.00 0.51 H new ATOM 1030 N ALA A 69 0.373 -11.857 0.904 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.130 -11.032 1.993 1.00 0.24 C ATOM 1032 C ALA A 69 -1.530 -10.538 1.664 1.00 0.31 C ATOM 1033 O ALA A 69 -2.361 -10.362 2.554 1.00 0.41 O ATOM 1034 CB ALA A 69 0.803 -9.861 2.270 1.00 0.24 C ATOM 0 H ALA A 69 1.158 -11.453 0.393 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.173 -11.641 2.896 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.402 -9.262 3.088 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.788 -10.238 2.545 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.887 -9.244 1.376 1.00 0.24 H new ATOM 1040 N GLY A 70 -1.790 -10.357 0.377 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.101 -9.926 -0.052 1.00 0.41 C ATOM 1042 C GLY A 70 -3.208 -8.427 -0.249 1.00 0.36 C ATOM 1043 O GLY A 70 -3.980 -7.762 0.435 1.00 0.45 O ATOM 0 H GLY A 70 -1.116 -10.501 -0.375 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.352 -10.427 -0.987 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -3.838 -10.241 0.686 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.432 -7.896 -1.179 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.512 -6.485 -1.524 1.00 0.30 C ATOM 1049 C LEU A 71 -3.374 -6.326 -2.770 1.00 0.24 C ATOM 1050 O LEU A 71 -3.549 -7.285 -3.523 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.113 -5.916 -1.733 1.00 0.38 C ATOM 1052 CG LEU A 71 -1.038 -4.400 -1.901 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.754 -3.692 -0.760 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.414 -3.974 -1.963 1.00 0.87 C ATOM 0 H LEU A 71 -1.738 -8.421 -1.710 1.00 0.33 H new ATOM 0 HA LEU A 71 -2.973 -5.926 -0.710 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.493 -6.201 -0.883 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.678 -6.384 -2.616 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.536 -4.121 -2.830 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.687 -2.613 -0.902 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.802 -3.992 -0.746 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.287 -3.963 0.187 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.471 -2.892 -2.083 1.00 0.87 H new ATOM 0 HD22 LEU A 71 0.918 -4.264 -1.041 1.00 0.87 H new ATOM 0 HD23 LEU A 71 0.900 -4.459 -2.810 1.00 0.87 H new ATOM 1066 N GLN A 72 -3.930 -5.137 -2.995 1.00 0.24 N ATOM 1067 CA GLN A 72 -5.012 -5.013 -3.959 1.00 0.33 C ATOM 1068 C GLN A 72 -4.862 -3.863 -4.963 1.00 0.25 C ATOM 1069 O GLN A 72 -5.839 -3.181 -5.271 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.291 -4.864 -3.186 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.492 -6.007 -2.213 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.383 -5.658 -1.045 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -7.349 -4.404 -0.622 1.00 1.21 O flip ATOM 1074 NE2 GLN A 72 -8.083 -6.518 -0.511 1.00 0.64 N flip ATOM 0 H GLN A 72 -3.656 -4.269 -2.535 1.00 0.24 H new ATOM 0 HA GLN A 72 -5.000 -5.912 -4.575 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.280 -3.920 -2.641 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -7.132 -4.823 -3.878 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -6.922 -6.855 -2.746 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -5.521 -6.327 -1.835 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -8.079 -7.473 -0.869 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -8.667 -6.276 0.290 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.653 -3.666 -5.487 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.453 -2.894 -6.710 1.00 0.26 C ATOM 1085 C ILE A 73 -3.665 -1.360 -6.582 1.00 0.23 C ATOM 1086 O ILE A 73 -3.104 -0.608 -7.376 1.00 0.31 O ATOM 1087 CB ILE A 73 -4.349 -3.459 -7.856 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.867 -4.847 -8.317 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -4.372 -2.519 -9.037 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -4.265 -5.993 -7.408 1.00 0.77 C ATOM 0 H ILE A 73 -2.793 -4.033 -5.080 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.395 -3.014 -6.942 1.00 0.26 H new ATOM 0 HB ILE A 73 -5.358 -3.555 -7.454 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -4.261 -5.040 -9.315 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -2.780 -4.829 -8.401 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -5.003 -2.936 -9.822 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -4.770 -1.553 -8.726 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -3.359 -2.388 -9.418 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.881 -6.929 -7.814 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -3.848 -5.831 -6.414 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -5.352 -6.044 -7.342 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.388 -0.879 -5.575 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.875 0.500 -5.623 1.00 0.25 C ATOM 1104 C GLY A 74 -5.329 0.990 -4.271 1.00 0.29 C ATOM 1105 O GLY A 74 -6.466 1.425 -4.091 1.00 0.37 O ATOM 0 H GLY A 74 -4.645 -1.403 -4.739 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -4.084 1.150 -5.997 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.703 0.567 -6.329 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.414 0.942 -3.332 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.742 1.136 -1.927 1.00 0.34 C ATOM 1111 C ASP A 75 -3.898 2.250 -1.353 1.00 0.30 C ATOM 1112 O ASP A 75 -2.802 2.497 -1.835 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.587 -0.158 -1.126 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.812 -1.055 -1.210 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.921 -0.594 -0.846 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -5.663 -2.228 -1.612 1.00 0.89 O ATOM 0 H ASP A 75 -3.425 0.769 -3.512 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.791 1.423 -1.854 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.717 -0.704 -1.492 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.393 0.088 -0.082 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.388 2.903 -0.315 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.761 4.116 0.180 1.00 0.28 C ATOM 1123 C LYS A 76 -3.041 3.829 1.489 1.00 0.28 C ATOM 1124 O LYS A 76 -3.652 3.707 2.541 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.808 5.216 0.358 1.00 0.34 C ATOM 1126 CG LYS A 76 -5.726 5.385 -0.847 1.00 0.74 C ATOM 1127 CD LYS A 76 -4.982 5.839 -2.094 1.00 1.17 C ATOM 1128 CE LYS A 76 -5.928 5.946 -3.282 1.00 1.55 C ATOM 1129 NZ LYS A 76 -5.259 6.482 -4.498 1.00 2.20 N ATOM 0 H LYS A 76 -5.218 2.614 0.202 1.00 0.30 H new ATOM 0 HA LYS A 76 -3.026 4.464 -0.546 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.413 4.992 1.237 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.301 6.161 0.553 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -6.227 4.439 -1.052 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -6.503 6.112 -0.608 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -4.512 6.805 -1.910 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -4.183 5.134 -2.323 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -6.341 4.962 -3.503 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -6.766 6.591 -3.018 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -5.946 6.535 -5.277 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -4.887 7.433 -4.299 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -4.476 5.854 -4.769 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.741 3.723 1.386 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.876 3.292 2.465 1.00 0.27 C ATOM 1145 C ILE A 77 -0.693 4.347 3.551 1.00 0.25 C ATOM 1146 O ILE A 77 -0.285 5.498 3.276 1.00 0.29 O ATOM 1147 CB ILE A 77 0.494 2.874 1.907 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.346 1.564 1.144 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.555 2.771 2.997 1.00 0.38 C ATOM 1150 CD1 ILE A 77 0.129 1.756 -0.333 1.00 0.49 C ATOM 0 H ILE A 77 -1.236 3.939 0.526 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.368 2.440 2.935 1.00 0.27 H new ATOM 0 HB ILE A 77 0.840 3.650 1.224 1.00 0.31 H new ATOM 0 HG12 ILE A 77 1.240 0.959 1.297 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.492 1.004 1.557 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.505 2.473 2.553 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.670 3.739 3.485 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.249 2.028 3.733 1.00 0.38 H new ATOM 0 HD11 ILE A 77 0.032 0.784 -0.816 1.00 0.49 H new ATOM 0 HD12 ILE A 77 -0.781 2.334 -0.495 1.00 0.49 H new ATOM 0 HD13 ILE A 77 0.979 2.289 -0.759 1.00 0.49 H new ATOM 1162 N MET A 78 -1.004 3.899 4.776 1.00 0.22 N ATOM 1163 CA MET A 78 -0.863 4.670 6.005 1.00 0.24 C ATOM 1164 C MET A 78 0.539 4.560 6.596 1.00 0.24 C ATOM 1165 O MET A 78 0.946 5.403 7.394 1.00 0.30 O ATOM 1166 CB MET A 78 -1.857 4.159 7.060 1.00 0.33 C ATOM 1167 CG MET A 78 -3.311 4.092 6.608 1.00 0.32 C ATOM 1168 SD MET A 78 -4.083 5.717 6.478 1.00 0.75 S ATOM 1169 CE MET A 78 -3.208 6.349 5.058 1.00 1.06 C ATOM 0 H MET A 78 -1.371 2.961 4.936 1.00 0.22 H new ATOM 0 HA MET A 78 -1.059 5.711 5.748 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.546 3.163 7.376 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.796 4.805 7.936 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.362 3.593 5.640 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.877 3.482 7.312 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.873 6.986 4.475 1.00 1.06 H new ATOM 0 HE2 MET A 78 -2.348 6.930 5.390 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.868 5.518 4.440 1.00 1.06 H new ATOM 1179 N GLN A 79 1.261 3.509 6.237 1.00 0.23 N ATOM 1180 CA GLN A 79 2.570 3.251 6.838 1.00 0.23 C ATOM 1181 C GLN A 79 3.345 2.160 6.102 1.00 0.24 C ATOM 1182 O GLN A 79 2.754 1.239 5.537 1.00 0.24 O ATOM 1183 CB GLN A 79 2.400 2.870 8.321 1.00 0.26 C ATOM 1184 CG GLN A 79 3.335 1.758 8.792 1.00 0.54 C ATOM 1185 CD GLN A 79 3.436 1.654 10.300 1.00 0.50 C ATOM 1186 OE1 GLN A 79 3.423 2.791 10.975 1.00 0.82 O flip ATOM 1187 NE2 GLN A 79 3.576 0.562 10.849 1.00 0.43 N flip ATOM 0 H GLN A 79 0.970 2.824 5.539 1.00 0.23 H new ATOM 0 HA GLN A 79 3.152 4.169 6.756 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.569 3.755 8.934 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.369 2.558 8.489 1.00 0.26 H new ATOM 0 HG2 GLN A 79 2.985 0.806 8.392 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.329 1.931 8.380 1.00 0.54 H new ATOM 0 HE21 GLN A 79 3.580 -0.292 10.292 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.688 0.511 11.862 1.00 0.43 H new ATOM 1196 N VAL A 80 4.671 2.269 6.133 1.00 0.28 N ATOM 1197 CA VAL A 80 5.542 1.255 5.580 1.00 0.35 C ATOM 1198 C VAL A 80 6.656 0.912 6.573 1.00 0.31 C ATOM 1199 O VAL A 80 7.378 1.789 7.044 1.00 0.31 O ATOM 1200 CB VAL A 80 6.168 1.684 4.232 1.00 0.52 C ATOM 1201 CG1 VAL A 80 5.095 1.989 3.197 1.00 0.85 C ATOM 1202 CG2 VAL A 80 7.114 2.866 4.391 1.00 1.31 C ATOM 0 H VAL A 80 5.163 3.063 6.543 1.00 0.28 H new ATOM 0 HA VAL A 80 4.924 0.376 5.394 1.00 0.35 H new ATOM 0 HB VAL A 80 6.758 0.840 3.875 1.00 0.52 H new ATOM 0 HG11 VAL A 80 5.567 2.288 2.261 1.00 0.85 H new ATOM 0 HG12 VAL A 80 4.488 1.100 3.030 1.00 0.85 H new ATOM 0 HG13 VAL A 80 4.461 2.799 3.558 1.00 0.85 H new ATOM 0 HG21 VAL A 80 7.530 3.132 3.419 1.00 1.31 H new ATOM 0 HG22 VAL A 80 6.568 3.717 4.798 1.00 1.31 H new ATOM 0 HG23 VAL A 80 7.923 2.596 5.070 1.00 1.31 H new ATOM 1212 N ASN A 81 6.744 -0.365 6.928 1.00 0.34 N ATOM 1213 CA ASN A 81 7.824 -0.885 7.779 1.00 0.38 C ATOM 1214 C ASN A 81 7.921 -0.170 9.129 1.00 0.34 C ATOM 1215 O ASN A 81 8.980 -0.164 9.750 1.00 0.40 O ATOM 1216 CB ASN A 81 9.184 -0.800 7.070 1.00 0.46 C ATOM 1217 CG ASN A 81 9.413 -1.911 6.053 1.00 0.70 C ATOM 1218 OD1 ASN A 81 10.533 -2.397 5.907 1.00 1.50 O ATOM 1219 ND2 ASN A 81 8.380 -2.307 5.323 1.00 1.18 N ATOM 0 H ASN A 81 6.071 -1.074 6.637 1.00 0.34 H new ATOM 0 HA ASN A 81 7.569 -1.928 7.968 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.262 0.164 6.566 1.00 0.46 H new ATOM 0 HB3 ASN A 81 9.977 -0.834 7.817 1.00 0.46 H new ATOM 0 HD21 ASN A 81 8.503 -3.033 4.618 1.00 1.18 H new ATOM 0 HD22 ASN A 81 7.462 -1.885 5.467 1.00 1.18 H new ATOM 1226 N GLY A 82 6.827 0.406 9.601 1.00 0.32 N ATOM 1227 CA GLY A 82 6.874 1.075 10.886 1.00 0.34 C ATOM 1228 C GLY A 82 6.992 2.578 10.757 1.00 0.31 C ATOM 1229 O GLY A 82 6.934 3.299 11.755 1.00 0.38 O ATOM 0 H GLY A 82 5.923 0.424 9.129 1.00 0.32 H new ATOM 0 HA2 GLY A 82 5.974 0.832 11.451 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.721 0.696 11.458 1.00 0.34 H new ATOM 1233 N TRP A 83 7.182 3.059 9.537 1.00 0.28 N ATOM 1234 CA TRP A 83 7.192 4.488 9.289 1.00 0.28 C ATOM 1235 C TRP A 83 5.799 4.928 8.931 1.00 0.29 C ATOM 1236 O TRP A 83 5.024 4.155 8.389 1.00 0.48 O ATOM 1237 CB TRP A 83 8.149 4.869 8.171 1.00 0.30 C ATOM 1238 CG TRP A 83 9.544 4.469 8.459 1.00 0.33 C ATOM 1239 CD1 TRP A 83 10.091 3.273 8.178 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.558 5.246 9.104 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.393 3.244 8.588 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.707 4.441 9.161 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.618 6.539 9.626 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.895 4.875 9.726 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.805 6.970 10.191 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.929 6.138 10.230 1.00 0.76 C ATOM 0 H TRP A 83 7.330 2.482 8.709 1.00 0.28 H new ATOM 0 HA TRP A 83 7.535 4.987 10.195 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.824 4.399 7.243 1.00 0.30 H new ATOM 0 HB3 TRP A 83 8.108 5.947 8.014 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.575 2.454 7.698 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.029 2.454 8.483 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.756 7.189 9.590 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.763 4.234 9.765 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.865 7.964 10.608 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.844 6.507 10.670 1.00 0.76 H new ATOM 1257 N ASP A 84 5.493 6.161 9.209 1.00 0.39 N ATOM 1258 CA ASP A 84 4.135 6.640 9.064 1.00 0.41 C ATOM 1259 C ASP A 84 3.963 7.478 7.800 1.00 0.40 C ATOM 1260 O ASP A 84 4.548 8.557 7.652 1.00 0.59 O ATOM 1261 CB ASP A 84 3.719 7.400 10.325 1.00 0.62 C ATOM 1262 CG ASP A 84 4.484 8.692 10.539 1.00 1.16 C ATOM 1263 OD1 ASP A 84 5.724 8.641 10.680 1.00 1.89 O ATOM 1264 OD2 ASP A 84 3.850 9.769 10.548 1.00 1.28 O ATOM 0 H ASP A 84 6.160 6.859 9.538 1.00 0.39 H new ATOM 0 HA ASP A 84 3.471 5.783 8.949 1.00 0.41 H new ATOM 0 HB2 ASP A 84 2.654 7.624 10.269 1.00 0.62 H new ATOM 0 HB3 ASP A 84 3.864 6.755 11.192 1.00 0.62 H new ATOM 1269 N MET A 85 3.184 6.937 6.867 1.00 0.36 N ATOM 1270 CA MET A 85 2.912 7.600 5.605 1.00 0.46 C ATOM 1271 C MET A 85 1.495 8.154 5.564 1.00 0.36 C ATOM 1272 O MET A 85 0.526 7.433 5.357 1.00 0.56 O ATOM 1273 CB MET A 85 3.124 6.639 4.428 1.00 0.76 C ATOM 1274 CG MET A 85 4.585 6.356 4.130 1.00 0.49 C ATOM 1275 SD MET A 85 5.452 5.609 5.518 1.00 1.01 S ATOM 1276 CE MET A 85 7.116 6.178 5.208 1.00 0.44 C ATOM 0 H MET A 85 2.728 6.030 6.968 1.00 0.36 H new ATOM 0 HA MET A 85 3.612 8.431 5.518 1.00 0.46 H new ATOM 0 HB2 MET A 85 2.617 5.698 4.642 1.00 0.76 H new ATOM 0 HB3 MET A 85 2.655 7.059 3.538 1.00 0.76 H new ATOM 0 HG2 MET A 85 4.653 5.693 3.267 1.00 0.49 H new ATOM 0 HG3 MET A 85 5.082 7.287 3.857 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.827 5.415 5.525 1.00 0.44 H new ATOM 0 HE2 MET A 85 7.242 6.371 4.143 1.00 0.44 H new ATOM 0 HE3 MET A 85 7.297 7.096 5.767 1.00 0.44 H new ATOM 1286 N THR A 86 1.403 9.445 5.775 1.00 0.31 N ATOM 1287 CA THR A 86 0.184 10.201 5.543 1.00 0.35 C ATOM 1288 C THR A 86 0.476 11.228 4.480 1.00 0.46 C ATOM 1289 O THR A 86 -0.311 11.489 3.575 1.00 1.05 O ATOM 1290 CB THR A 86 -0.259 10.935 6.816 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.865 11.631 7.381 1.00 0.47 O ATOM 1292 CG2 THR A 86 -0.819 9.977 7.837 1.00 0.37 C ATOM 0 H THR A 86 2.179 10.012 6.117 1.00 0.31 H new ATOM 0 HA THR A 86 -0.610 9.518 5.240 1.00 0.35 H new ATOM 0 HB THR A 86 -1.044 11.642 6.546 1.00 0.36 H new ATOM 0 HG1 THR A 86 0.584 12.102 8.193 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.123 10.530 8.726 1.00 0.37 H new ATOM 0 HG22 THR A 86 -1.683 9.462 7.417 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.057 9.246 8.107 1.00 0.37 H new ATOM 1300 N MET A 87 1.647 11.795 4.637 1.00 0.56 N ATOM 1301 CA MET A 87 2.188 12.777 3.743 1.00 0.65 C ATOM 1302 C MET A 87 3.694 12.617 3.735 1.00 0.76 C ATOM 1303 O MET A 87 4.410 13.257 4.505 1.00 1.49 O ATOM 1304 CB MET A 87 1.796 14.177 4.201 1.00 0.84 C ATOM 1305 CG MET A 87 1.422 14.246 5.675 1.00 0.97 C ATOM 1306 SD MET A 87 1.304 15.929 6.289 1.00 1.36 S ATOM 1307 CE MET A 87 0.766 15.617 7.966 1.00 1.62 C ATOM 0 H MET A 87 2.266 11.575 5.417 1.00 0.56 H new ATOM 0 HA MET A 87 1.794 12.637 2.737 1.00 0.65 H new ATOM 0 HB2 MET A 87 2.625 14.859 4.011 1.00 0.84 H new ATOM 0 HB3 MET A 87 0.954 14.525 3.603 1.00 0.84 H new ATOM 0 HG2 MET A 87 0.467 13.742 5.826 1.00 0.97 H new ATOM 0 HG3 MET A 87 2.165 13.703 6.259 1.00 0.97 H new ATOM 0 HE1 MET A 87 0.643 16.564 8.491 1.00 1.62 H new ATOM 0 HE2 MET A 87 -0.185 15.085 7.950 1.00 1.62 H new ATOM 0 HE3 MET A 87 1.512 15.011 8.481 1.00 1.62 H new ATOM 1317 N VAL A 88 4.156 11.703 2.910 1.00 0.40 N ATOM 1318 CA VAL A 88 5.552 11.312 2.880 1.00 0.45 C ATOM 1319 C VAL A 88 5.995 11.109 1.433 1.00 0.36 C ATOM 1320 O VAL A 88 5.243 10.557 0.644 1.00 0.39 O ATOM 1321 CB VAL A 88 5.712 10.023 3.735 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.744 9.062 3.186 1.00 0.72 C ATOM 1323 CG2 VAL A 88 6.049 10.385 5.172 1.00 1.09 C ATOM 0 H VAL A 88 3.572 11.206 2.237 1.00 0.40 H new ATOM 0 HA VAL A 88 6.190 12.088 3.303 1.00 0.45 H new ATOM 0 HB VAL A 88 4.753 9.506 3.696 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.804 8.185 3.831 1.00 0.72 H new ATOM 0 HG12 VAL A 88 6.456 8.754 2.181 1.00 0.72 H new ATOM 0 HG13 VAL A 88 7.716 9.554 3.150 1.00 0.72 H new ATOM 0 HG21 VAL A 88 6.158 9.474 5.761 1.00 1.09 H new ATOM 0 HG22 VAL A 88 6.983 10.947 5.196 1.00 1.09 H new ATOM 0 HG23 VAL A 88 5.248 10.994 5.591 1.00 1.09 H new ATOM 1333 N THR A 89 7.167 11.628 1.059 1.00 0.31 N ATOM 1334 CA THR A 89 7.646 11.520 -0.304 1.00 0.28 C ATOM 1335 C THR A 89 7.714 10.068 -0.782 1.00 0.26 C ATOM 1336 O THR A 89 7.934 9.148 0.008 1.00 0.26 O ATOM 1337 CB THR A 89 9.022 12.209 -0.456 1.00 0.31 C ATOM 1338 OG1 THR A 89 10.017 11.548 0.330 1.00 0.32 O ATOM 1339 CG2 THR A 89 8.919 13.665 -0.025 1.00 0.35 C ATOM 0 H THR A 89 7.796 12.126 1.689 1.00 0.31 H new ATOM 0 HA THR A 89 6.923 12.033 -0.939 1.00 0.28 H new ATOM 0 HB THR A 89 9.317 12.154 -1.504 1.00 0.31 H new ATOM 0 HG1 THR A 89 10.878 12.001 0.216 1.00 0.32 H new ATOM 0 HG21 THR A 89 9.891 14.146 -0.134 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.188 14.178 -0.649 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.604 13.714 1.017 1.00 0.35 H new ATOM 1347 N HIS A 90 7.494 9.873 -2.078 1.00 0.26 N ATOM 1348 CA HIS A 90 7.503 8.537 -2.678 1.00 0.25 C ATOM 1349 C HIS A 90 8.805 7.841 -2.405 1.00 0.27 C ATOM 1350 O HIS A 90 8.840 6.652 -2.105 1.00 0.30 O ATOM 1351 CB HIS A 90 7.282 8.635 -4.183 1.00 0.25 C ATOM 1352 CG HIS A 90 7.214 7.311 -4.905 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.436 7.190 -6.259 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.913 6.057 -4.469 1.00 0.27 C ATOM 1355 CE1 HIS A 90 7.273 5.933 -6.621 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.958 5.227 -5.558 1.00 0.32 N ATOM 0 H HIS A 90 7.306 10.626 -2.739 1.00 0.26 H new ATOM 0 HA HIS A 90 6.695 7.958 -2.231 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.355 9.179 -4.364 1.00 0.25 H new ATOM 0 HB3 HIS A 90 8.089 9.227 -4.616 1.00 0.25 H new ATOM 0 HD1 HIS A 90 7.688 7.955 -6.885 1.00 0.32 H new ATOM 0 HD2 HIS A 90 6.682 5.770 -3.454 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.380 5.547 -7.624 1.00 0.35 H new ATOM 1365 N ASP A 91 9.869 8.599 -2.491 1.00 0.31 N ATOM 1366 CA ASP A 91 11.198 8.048 -2.260 1.00 0.34 C ATOM 1367 C ASP A 91 11.350 7.707 -0.804 1.00 0.32 C ATOM 1368 O ASP A 91 12.031 6.745 -0.459 1.00 0.33 O ATOM 1369 CB ASP A 91 12.316 9.004 -2.657 1.00 0.41 C ATOM 1370 CG ASP A 91 12.542 9.070 -4.156 1.00 1.03 C ATOM 1371 OD1 ASP A 91 11.597 9.419 -4.896 1.00 1.45 O ATOM 1372 OD2 ASP A 91 13.665 8.742 -4.607 1.00 1.67 O ATOM 0 H ASP A 91 9.851 9.593 -2.717 1.00 0.31 H new ATOM 0 HA ASP A 91 11.286 7.160 -2.886 1.00 0.34 H new ATOM 0 HB2 ASP A 91 12.080 10.002 -2.287 1.00 0.41 H new ATOM 0 HB3 ASP A 91 13.241 8.694 -2.170 1.00 0.41 H new ATOM 1377 N GLN A 92 10.693 8.484 0.054 1.00 0.31 N ATOM 1378 CA GLN A 92 10.799 8.264 1.468 1.00 0.32 C ATOM 1379 C GLN A 92 10.236 6.897 1.787 1.00 0.29 C ATOM 1380 O GLN A 92 10.888 6.079 2.425 1.00 0.31 O ATOM 1381 CB GLN A 92 10.038 9.334 2.227 1.00 0.36 C ATOM 1382 CG GLN A 92 9.929 9.058 3.703 1.00 0.42 C ATOM 1383 CD GLN A 92 11.163 9.467 4.474 1.00 0.57 C ATOM 1384 OE1 GLN A 92 12.108 8.691 4.633 1.00 0.77 O ATOM 1385 NE2 GLN A 92 11.147 10.691 4.974 1.00 0.62 N ATOM 0 H GLN A 92 10.090 9.261 -0.216 1.00 0.31 H new ATOM 0 HA GLN A 92 11.845 8.314 1.770 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.533 10.294 2.080 1.00 0.36 H new ATOM 0 HB3 GLN A 92 9.036 9.424 1.807 1.00 0.36 H new ATOM 0 HG2 GLN A 92 9.065 9.589 4.103 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.748 7.994 3.856 1.00 0.42 H new ATOM 0 HE21 GLN A 92 10.342 11.296 4.815 1.00 0.62 H new ATOM 0 HE22 GLN A 92 11.940 11.030 5.518 1.00 0.62 H new ATOM 1394 N ALA A 93 9.040 6.634 1.273 1.00 0.27 N ATOM 1395 CA ALA A 93 8.365 5.379 1.541 1.00 0.28 C ATOM 1396 C ALA A 93 9.026 4.244 0.781 1.00 0.28 C ATOM 1397 O ALA A 93 9.216 3.159 1.323 1.00 0.33 O ATOM 1398 CB ALA A 93 6.898 5.477 1.183 1.00 0.33 C ATOM 0 H ALA A 93 8.523 7.274 0.670 1.00 0.27 H new ATOM 0 HA ALA A 93 8.444 5.168 2.607 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.408 4.526 1.391 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.430 6.263 1.776 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.797 5.713 0.124 1.00 0.33 H new ATOM 1404 N ARG A 94 9.411 4.512 -0.466 1.00 0.27 N ATOM 1405 CA ARG A 94 10.055 3.505 -1.303 1.00 0.30 C ATOM 1406 C ARG A 94 11.306 2.987 -0.609 1.00 0.33 C ATOM 1407 O ARG A 94 11.551 1.783 -0.548 1.00 0.37 O ATOM 1408 CB ARG A 94 10.443 4.088 -2.666 1.00 0.34 C ATOM 1409 CG ARG A 94 10.801 3.030 -3.701 1.00 0.43 C ATOM 1410 CD ARG A 94 11.516 3.629 -4.904 1.00 0.57 C ATOM 1411 NE ARG A 94 12.778 4.275 -4.537 1.00 1.04 N ATOM 1412 CZ ARG A 94 13.083 5.537 -4.832 1.00 1.41 C ATOM 1413 NH1 ARG A 94 12.275 6.264 -5.601 1.00 1.57 N ATOM 1414 NH2 ARG A 94 14.219 6.061 -4.404 1.00 2.10 N ATOM 0 H ARG A 94 9.287 5.418 -0.917 1.00 0.27 H new ATOM 0 HA ARG A 94 9.348 2.691 -1.459 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.616 4.689 -3.044 1.00 0.34 H new ATOM 0 HB3 ARG A 94 11.292 4.760 -2.536 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.437 2.273 -3.241 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.894 2.525 -4.033 1.00 0.43 H new ATOM 0 HD2 ARG A 94 11.711 2.845 -5.635 1.00 0.57 H new ATOM 0 HD3 ARG A 94 10.864 4.358 -5.385 1.00 0.57 H new ATOM 0 HE ARG A 94 13.466 3.724 -4.024 1.00 1.04 H new ATOM 0 HH11 ARG A 94 11.416 5.855 -5.968 1.00 1.57 H new ATOM 0 HH12 ARG A 94 12.515 7.230 -5.823 1.00 1.57 H new ATOM 0 HH21 ARG A 94 14.862 5.498 -3.847 1.00 2.10 H new ATOM 0 HH22 ARG A 94 14.452 7.028 -4.630 1.00 2.10 H new ATOM 1428 N LYS A 95 12.075 3.914 -0.060 1.00 0.33 N ATOM 1429 CA LYS A 95 13.307 3.587 0.603 1.00 0.40 C ATOM 1430 C LYS A 95 13.012 2.783 1.866 1.00 0.42 C ATOM 1431 O LYS A 95 13.755 1.869 2.230 1.00 0.46 O ATOM 1432 CB LYS A 95 14.042 4.897 0.913 1.00 0.46 C ATOM 1433 CG LYS A 95 15.410 4.742 1.536 1.00 0.64 C ATOM 1434 CD LYS A 95 15.312 4.506 3.036 1.00 0.56 C ATOM 1435 CE LYS A 95 16.420 3.597 3.553 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.775 4.195 3.387 1.00 0.96 N ATOM 0 H LYS A 95 11.855 4.910 -0.067 1.00 0.33 H new ATOM 0 HA LYS A 95 13.944 2.969 -0.030 1.00 0.40 H new ATOM 0 HB2 LYS A 95 14.145 5.463 -0.012 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.422 5.492 1.583 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.932 3.908 1.068 1.00 0.64 H new ATOM 0 HG3 LYS A 95 16.002 5.637 1.345 1.00 0.64 H new ATOM 0 HD2 LYS A 95 15.358 5.463 3.556 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.344 4.063 3.269 1.00 0.56 H new ATOM 0 HE2 LYS A 95 16.248 3.384 4.608 1.00 0.60 H new ATOM 0 HE3 LYS A 95 16.380 2.644 3.025 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.492 3.537 3.754 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.954 4.375 2.378 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.826 5.091 3.913 1.00 0.96 H new ATOM 1450 N ARG A 96 11.909 3.116 2.523 1.00 0.45 N ATOM 1451 CA ARG A 96 11.558 2.472 3.777 1.00 0.51 C ATOM 1452 C ARG A 96 11.001 1.073 3.552 1.00 0.57 C ATOM 1453 O ARG A 96 11.062 0.236 4.446 1.00 0.72 O ATOM 1454 CB ARG A 96 10.555 3.303 4.580 1.00 0.55 C ATOM 1455 CG ARG A 96 11.023 4.716 4.885 1.00 0.59 C ATOM 1456 CD ARG A 96 12.405 4.749 5.516 1.00 0.72 C ATOM 1457 NE ARG A 96 12.877 6.124 5.681 1.00 1.98 N ATOM 1458 CZ ARG A 96 13.907 6.476 6.443 1.00 2.35 C ATOM 1459 NH1 ARG A 96 14.596 5.553 7.101 1.00 1.58 N ATOM 1460 NH2 ARG A 96 14.248 7.752 6.541 1.00 3.57 N ATOM 0 H ARG A 96 11.246 3.825 2.209 1.00 0.45 H new ATOM 0 HA ARG A 96 12.480 2.392 4.352 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.617 3.354 4.027 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.345 2.791 5.519 1.00 0.55 H new ATOM 0 HG2 ARG A 96 11.034 5.298 3.964 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.310 5.195 5.556 1.00 0.59 H new ATOM 0 HD2 ARG A 96 12.377 4.252 6.486 1.00 0.72 H new ATOM 0 HD3 ARG A 96 13.106 4.193 4.893 1.00 0.72 H new ATOM 0 HE ARG A 96 12.383 6.861 5.178 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.336 4.570 7.023 1.00 1.58 H new ATOM 0 HH12 ARG A 96 15.386 5.826 7.685 1.00 1.58 H new ATOM 0 HH21 ARG A 96 13.720 8.461 6.032 1.00 3.57 H new ATOM 0 HH22 ARG A 96 15.038 8.025 7.125 1.00 3.57 H new ATOM 1474 N LEU A 97 10.416 0.824 2.390 1.00 0.52 N ATOM 1475 CA LEU A 97 9.895 -0.505 2.100 1.00 0.57 C ATOM 1476 C LEU A 97 10.815 -1.326 1.191 1.00 0.64 C ATOM 1477 O LEU A 97 10.511 -2.482 0.893 1.00 0.96 O ATOM 1478 CB LEU A 97 8.459 -0.444 1.548 1.00 0.70 C ATOM 1479 CG LEU A 97 8.187 0.539 0.402 1.00 0.88 C ATOM 1480 CD1 LEU A 97 8.799 0.057 -0.898 1.00 1.45 C ATOM 1481 CD2 LEU A 97 6.694 0.742 0.228 1.00 1.65 C ATOM 0 H LEU A 97 10.291 1.509 1.645 1.00 0.52 H new ATOM 0 HA LEU A 97 9.863 -1.032 3.054 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.186 -1.443 1.208 1.00 0.70 H new ATOM 0 HB3 LEU A 97 7.791 -0.194 2.372 1.00 0.70 H new ATOM 0 HG LEU A 97 8.652 1.490 0.662 1.00 0.88 H new ATOM 0 HD11 LEU A 97 8.587 0.777 -1.689 1.00 1.45 H new ATOM 0 HD12 LEU A 97 9.878 -0.043 -0.777 1.00 1.45 H new ATOM 0 HD13 LEU A 97 8.373 -0.910 -1.164 1.00 1.45 H new ATOM 0 HD21 LEU A 97 6.515 1.442 -0.588 1.00 1.65 H new ATOM 0 HD22 LEU A 97 6.221 -0.213 -0.002 1.00 1.65 H new ATOM 0 HD23 LEU A 97 6.272 1.143 1.149 1.00 1.65 H new ATOM 1493 N THR A 98 11.948 -0.765 0.772 1.00 0.54 N ATOM 1494 CA THR A 98 12.853 -1.509 -0.098 1.00 0.65 C ATOM 1495 C THR A 98 14.256 -1.533 0.476 1.00 0.74 C ATOM 1496 O THR A 98 15.197 -0.945 -0.058 1.00 1.53 O ATOM 1497 CB THR A 98 12.906 -0.975 -1.542 1.00 0.92 C ATOM 1498 OG1 THR A 98 11.590 -0.649 -1.999 1.00 1.15 O ATOM 1499 CG2 THR A 98 13.525 -2.020 -2.464 1.00 1.12 C ATOM 0 H THR A 98 12.255 0.177 1.013 1.00 0.54 H new ATOM 0 HA THR A 98 12.445 -2.519 -0.143 1.00 0.65 H new ATOM 0 HB THR A 98 13.520 -0.075 -1.557 1.00 0.92 H new ATOM 0 HG1 THR A 98 11.637 -0.309 -2.917 1.00 1.15 H new ATOM 0 HG21 THR A 98 13.558 -1.633 -3.482 1.00 1.12 H new ATOM 0 HG22 THR A 98 14.537 -2.247 -2.129 1.00 1.12 H new ATOM 0 HG23 THR A 98 12.923 -2.928 -2.440 1.00 1.12 H new ATOM 1507 N LYS A 99 14.357 -2.188 1.601 1.00 0.79 N ATOM 1508 CA LYS A 99 15.618 -2.479 2.225 1.00 1.12 C ATOM 1509 C LYS A 99 15.850 -3.973 2.167 1.00 1.36 C ATOM 1510 O LYS A 99 15.108 -4.737 2.786 1.00 2.28 O ATOM 1511 CB LYS A 99 15.560 -2.033 3.673 1.00 1.29 C ATOM 1512 CG LYS A 99 15.750 -0.550 3.895 1.00 1.18 C ATOM 1513 CD LYS A 99 15.130 -0.155 5.218 1.00 1.56 C ATOM 1514 CE LYS A 99 13.672 -0.572 5.250 1.00 1.98 C ATOM 1515 NZ LYS A 99 13.086 -0.536 6.618 1.00 2.72 N ATOM 0 H LYS A 99 13.551 -2.540 2.118 1.00 0.79 H new ATOM 0 HA LYS A 99 16.427 -1.958 1.713 1.00 1.12 H new ATOM 0 HB2 LYS A 99 14.596 -2.326 4.089 1.00 1.29 H new ATOM 0 HB3 LYS A 99 16.326 -2.570 4.233 1.00 1.29 H new ATOM 0 HG2 LYS A 99 16.812 -0.304 3.891 1.00 1.18 H new ATOM 0 HG3 LYS A 99 15.289 0.012 3.083 1.00 1.18 H new ATOM 0 HD2 LYS A 99 15.670 -0.627 6.038 1.00 1.56 H new ATOM 0 HD3 LYS A 99 15.212 0.922 5.361 1.00 1.56 H new ATOM 0 HE2 LYS A 99 13.098 0.085 4.597 1.00 1.98 H new ATOM 0 HE3 LYS A 99 13.580 -1.581 4.848 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 12.180 -1.047 6.621 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 13.741 -0.988 7.288 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 12.927 0.452 6.902 1.00 2.72 H new ATOM 1529 N ARG A 100 16.862 -4.404 1.426 1.00 1.04 N ATOM 1530 CA ARG A 100 17.159 -5.832 1.319 1.00 1.17 C ATOM 1531 C ARG A 100 17.823 -6.346 2.600 1.00 1.12 C ATOM 1532 O ARG A 100 18.619 -7.278 2.576 1.00 1.39 O ATOM 1533 CB ARG A 100 18.032 -6.135 0.091 1.00 1.55 C ATOM 1534 CG ARG A 100 19.320 -5.331 -0.004 1.00 2.10 C ATOM 1535 CD ARG A 100 20.148 -5.784 -1.201 1.00 2.50 C ATOM 1536 NE ARG A 100 21.366 -4.997 -1.380 1.00 3.10 N ATOM 1537 CZ ARG A 100 22.571 -5.525 -1.599 1.00 3.59 C ATOM 1538 NH1 ARG A 100 22.733 -6.847 -1.624 1.00 3.60 N ATOM 1539 NH2 ARG A 100 23.616 -4.735 -1.795 1.00 4.38 N ATOM 0 H ARG A 100 17.486 -3.797 0.895 1.00 1.04 H new ATOM 0 HA ARG A 100 16.213 -6.358 1.188 1.00 1.17 H new ATOM 0 HB2 ARG A 100 18.284 -7.195 0.098 1.00 1.55 H new ATOM 0 HB3 ARG A 100 17.442 -5.953 -0.808 1.00 1.55 H new ATOM 0 HG2 ARG A 100 19.087 -4.270 -0.097 1.00 2.10 H new ATOM 0 HG3 ARG A 100 19.899 -5.451 0.912 1.00 2.10 H new ATOM 0 HD2 ARG A 100 20.415 -6.833 -1.076 1.00 2.50 H new ATOM 0 HD3 ARG A 100 19.541 -5.715 -2.104 1.00 2.50 H new ATOM 0 HE ARG A 100 21.290 -3.981 -1.335 1.00 3.10 H new ATOM 0 HH11 ARG A 100 21.933 -7.462 -1.475 1.00 3.60 H new ATOM 0 HH12 ARG A 100 23.657 -7.244 -1.792 1.00 3.60 H new ATOM 0 HH21 ARG A 100 23.500 -3.722 -1.779 1.00 4.38 H new ATOM 0 HH22 ARG A 100 24.537 -5.140 -1.962 1.00 4.38 H new ATOM 1553 N SER A 101 17.442 -5.749 3.719 1.00 1.05 N ATOM 1554 CA SER A 101 18.006 -6.066 5.017 1.00 1.37 C ATOM 1555 C SER A 101 16.907 -6.566 5.948 1.00 1.22 C ATOM 1556 O SER A 101 17.096 -7.528 6.694 1.00 1.64 O ATOM 1557 CB SER A 101 18.671 -4.817 5.595 1.00 1.90 C ATOM 1558 OG SER A 101 17.800 -3.701 5.490 1.00 2.51 O ATOM 0 H SER A 101 16.725 -5.024 3.749 1.00 1.05 H new ATOM 0 HA SER A 101 18.755 -6.851 4.913 1.00 1.37 H new ATOM 0 HB2 SER A 101 18.932 -4.986 6.640 1.00 1.90 H new ATOM 0 HB3 SER A 101 19.600 -4.613 5.063 1.00 1.90 H new ATOM 0 HG SER A 101 18.237 -2.908 5.865 1.00 2.51 H new ATOM 1564 N GLU A 102 15.749 -5.896 5.884 1.00 1.06 N ATOM 1565 CA GLU A 102 14.557 -6.297 6.633 1.00 1.19 C ATOM 1566 C GLU A 102 14.239 -7.764 6.382 1.00 0.93 C ATOM 1567 O GLU A 102 14.399 -8.254 5.264 1.00 1.34 O ATOM 1568 CB GLU A 102 13.354 -5.456 6.205 1.00 1.63 C ATOM 1569 CG GLU A 102 13.530 -3.960 6.407 1.00 2.12 C ATOM 1570 CD GLU A 102 13.658 -3.555 7.865 1.00 2.70 C ATOM 1571 OE1 GLU A 102 13.251 -4.337 8.753 1.00 3.40 O ATOM 1572 OE2 GLU A 102 14.141 -2.432 8.123 1.00 2.95 O ATOM 0 H GLU A 102 15.615 -5.062 5.312 1.00 1.06 H new ATOM 0 HA GLU A 102 14.758 -6.142 7.693 1.00 1.19 H new ATOM 0 HB2 GLU A 102 13.149 -5.646 5.151 1.00 1.63 H new ATOM 0 HB3 GLU A 102 12.478 -5.785 6.764 1.00 1.63 H new ATOM 0 HG2 GLU A 102 14.418 -3.631 5.868 1.00 2.12 H new ATOM 0 HG3 GLU A 102 12.679 -3.440 5.967 1.00 2.12 H new ATOM 1579 N GLU A 103 13.779 -8.462 7.409 1.00 0.74 N ATOM 1580 CA GLU A 103 13.414 -9.863 7.255 1.00 0.68 C ATOM 1581 C GLU A 103 11.925 -9.995 6.951 1.00 0.54 C ATOM 1582 O GLU A 103 11.451 -11.047 6.524 1.00 0.61 O ATOM 1583 CB GLU A 103 13.765 -10.667 8.507 1.00 0.95 C ATOM 1584 CG GLU A 103 13.002 -10.235 9.743 1.00 1.37 C ATOM 1585 CD GLU A 103 13.064 -11.270 10.837 1.00 2.16 C ATOM 1586 OE1 GLU A 103 12.206 -12.174 10.854 1.00 2.68 O ATOM 1587 OE2 GLU A 103 13.959 -11.166 11.704 1.00 2.58 O ATOM 0 H GLU A 103 13.650 -8.087 8.349 1.00 0.74 H new ATOM 0 HA GLU A 103 13.985 -10.266 6.419 1.00 0.68 H new ATOM 0 HB2 GLU A 103 13.566 -11.722 8.318 1.00 0.95 H new ATOM 0 HB3 GLU A 103 14.834 -10.574 8.700 1.00 0.95 H new ATOM 0 HG2 GLU A 103 13.411 -9.294 10.111 1.00 1.37 H new ATOM 0 HG3 GLU A 103 11.961 -10.048 9.479 1.00 1.37 H new ATOM 1594 N VAL A 104 11.202 -8.911 7.147 1.00 0.40 N ATOM 1595 CA VAL A 104 9.762 -8.902 6.970 1.00 0.33 C ATOM 1596 C VAL A 104 9.308 -7.508 6.558 1.00 0.29 C ATOM 1597 O VAL A 104 9.903 -6.507 6.962 1.00 0.34 O ATOM 1598 CB VAL A 104 9.028 -9.355 8.256 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.448 -8.522 9.459 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.518 -9.305 8.070 1.00 0.37 C ATOM 0 H VAL A 104 11.594 -8.013 7.433 1.00 0.40 H new ATOM 0 HA VAL A 104 9.508 -9.613 6.184 1.00 0.33 H new ATOM 0 HB VAL A 104 9.315 -10.389 8.448 1.00 0.38 H new ATOM 0 HG11 VAL A 104 8.914 -8.867 10.344 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.521 -8.628 9.618 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.210 -7.474 9.277 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.027 -9.628 8.988 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.214 -8.285 7.836 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.230 -9.966 7.253 1.00 0.37 H new ATOM 1610 N VAL A 105 8.272 -7.437 5.742 1.00 0.28 N ATOM 1611 CA VAL A 105 7.818 -6.174 5.215 1.00 0.28 C ATOM 1612 C VAL A 105 6.448 -5.819 5.724 1.00 0.26 C ATOM 1613 O VAL A 105 5.478 -6.559 5.555 1.00 0.26 O ATOM 1614 CB VAL A 105 7.825 -6.153 3.691 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.080 -4.937 3.173 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.251 -6.145 3.218 1.00 0.46 C ATOM 0 H VAL A 105 7.731 -8.245 5.432 1.00 0.28 H new ATOM 0 HA VAL A 105 8.526 -5.425 5.569 1.00 0.28 H new ATOM 0 HB VAL A 105 7.319 -7.039 3.307 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.095 -4.938 2.083 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.048 -4.967 3.522 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.561 -4.031 3.542 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.273 -6.130 2.128 1.00 0.46 H new ATOM 0 HG22 VAL A 105 9.757 -5.260 3.603 1.00 0.46 H new ATOM 0 HG23 VAL A 105 9.759 -7.039 3.579 1.00 0.46 H new ATOM 1626 N ARG A 106 6.414 -4.694 6.385 1.00 0.29 N ATOM 1627 CA ARG A 106 5.224 -4.192 7.011 1.00 0.28 C ATOM 1628 C ARG A 106 4.581 -3.127 6.154 1.00 0.26 C ATOM 1629 O ARG A 106 5.240 -2.177 5.734 1.00 0.32 O ATOM 1630 CB ARG A 106 5.581 -3.647 8.377 1.00 0.35 C ATOM 1631 CG ARG A 106 6.279 -4.671 9.248 1.00 0.43 C ATOM 1632 CD ARG A 106 7.761 -4.825 8.891 1.00 0.54 C ATOM 1633 NE ARG A 106 8.604 -4.754 10.080 1.00 0.81 N ATOM 1634 CZ ARG A 106 9.927 -4.595 10.058 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.590 -4.563 8.908 1.00 1.76 N ATOM 1636 NH2 ARG A 106 10.595 -4.499 11.196 1.00 1.46 N ATOM 0 H ARG A 106 7.228 -4.091 6.505 1.00 0.29 H new ATOM 0 HA ARG A 106 4.502 -5.000 7.125 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.225 -2.776 8.260 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.674 -3.308 8.877 1.00 0.35 H new ATOM 0 HG2 ARG A 106 6.188 -4.377 10.294 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.780 -5.634 9.143 1.00 0.43 H new ATOM 0 HD2 ARG A 106 7.919 -5.779 8.388 1.00 0.54 H new ATOM 0 HD3 ARG A 106 8.051 -4.043 8.190 1.00 0.54 H new ATOM 0 HE ARG A 106 8.150 -4.831 10.990 1.00 0.81 H new ATOM 0 HH11 ARG A 106 10.087 -4.661 8.026 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.603 -4.441 8.906 1.00 1.76 H new ATOM 0 HH21 ARG A 106 10.097 -4.547 12.085 1.00 1.46 H new ATOM 0 HH22 ARG A 106 11.608 -4.377 11.184 1.00 1.46 H new ATOM 1650 N LEU A 107 3.314 -3.295 5.885 1.00 0.24 N ATOM 1651 CA LEU A 107 2.571 -2.332 5.093 1.00 0.24 C ATOM 1652 C LEU A 107 1.246 -2.020 5.766 1.00 0.21 C ATOM 1653 O LEU A 107 0.494 -2.931 6.094 1.00 0.28 O ATOM 1654 CB LEU A 107 2.333 -2.888 3.687 1.00 0.37 C ATOM 1655 CG LEU A 107 1.714 -1.911 2.693 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.702 -0.807 2.356 1.00 0.98 C ATOM 1657 CD2 LEU A 107 1.275 -2.645 1.439 1.00 1.12 C ATOM 0 H LEU A 107 2.765 -4.094 6.202 1.00 0.24 H new ATOM 0 HA LEU A 107 3.149 -1.412 5.014 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.286 -3.234 3.285 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.684 -3.761 3.765 1.00 0.37 H new ATOM 0 HG LEU A 107 0.834 -1.455 3.147 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.248 -0.116 1.646 1.00 0.98 H new ATOM 0 HD12 LEU A 107 2.970 -0.268 3.265 1.00 0.98 H new ATOM 0 HD13 LEU A 107 3.599 -1.243 1.915 1.00 0.98 H new ATOM 0 HD21 LEU A 107 0.835 -1.936 0.738 1.00 1.12 H new ATOM 0 HD22 LEU A 107 2.138 -3.124 0.977 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.536 -3.403 1.701 1.00 1.12 H new ATOM 1669 N LEU A 108 0.955 -0.752 5.988 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.321 -0.372 6.528 1.00 0.15 C ATOM 1671 C LEU A 108 -1.071 0.358 5.445 1.00 0.15 C ATOM 1672 O LEU A 108 -0.628 1.394 4.978 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.142 0.508 7.761 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.435 0.987 8.416 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.346 -0.202 8.732 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -1.107 1.762 9.681 1.00 0.26 C ATOM 0 H LEU A 108 1.589 0.025 5.801 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.881 -1.252 6.844 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.437 -0.045 8.501 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.449 1.380 7.481 1.00 0.19 H new ATOM 0 HG LEU A 108 -1.964 1.644 7.726 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.264 0.157 9.199 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.590 -0.729 7.809 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.834 -0.882 9.413 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -2.031 2.104 10.148 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.567 1.116 10.374 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.487 2.623 9.430 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.169 -0.199 5.010 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.881 0.345 3.887 1.00 0.21 C ATOM 1690 C VAL A 109 -4.287 0.713 4.285 1.00 0.22 C ATOM 1691 O VAL A 109 -4.831 0.179 5.238 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.916 -0.673 2.728 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -4.211 -1.464 2.694 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -2.669 0.023 1.417 1.00 0.77 C ATOM 0 H VAL A 109 -2.591 -1.033 5.419 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.361 1.243 3.554 1.00 0.21 H new ATOM 0 HB VAL A 109 -2.117 -1.394 2.899 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -4.186 -2.166 1.861 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -4.327 -2.013 3.628 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -5.051 -0.781 2.568 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -2.696 -0.706 0.607 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -3.440 0.776 1.254 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -1.691 0.504 1.439 1.00 0.77 H new ATOM 1704 N THR A 110 -4.858 1.654 3.593 1.00 0.22 N ATOM 1705 CA THR A 110 -6.267 1.846 3.693 1.00 0.25 C ATOM 1706 C THR A 110 -6.966 1.177 2.526 1.00 0.26 C ATOM 1707 O THR A 110 -6.797 1.564 1.370 1.00 0.30 O ATOM 1708 CB THR A 110 -6.641 3.314 3.726 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.609 4.076 4.354 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.920 3.472 4.495 1.00 0.33 C ATOM 0 H THR A 110 -4.374 2.292 2.961 1.00 0.22 H new ATOM 0 HA THR A 110 -6.589 1.395 4.632 1.00 0.25 H new ATOM 0 HB THR A 110 -6.769 3.676 2.706 1.00 0.30 H new ATOM 0 HG1 THR A 110 -4.830 4.123 3.761 1.00 0.34 H new ATOM 0 HG21 THR A 110 -8.199 4.525 4.525 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.710 2.901 4.008 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.781 3.104 5.512 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.751 0.175 2.857 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.477 -0.609 1.893 1.00 0.37 C ATOM 1720 C ARG A 111 -9.865 -0.010 1.698 1.00 0.42 C ATOM 1721 O ARG A 111 -10.688 0.009 2.613 1.00 0.49 O ATOM 1722 CB ARG A 111 -8.512 -2.049 2.408 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.750 -2.846 2.067 1.00 0.47 C ATOM 1724 CD ARG A 111 -9.679 -4.212 2.728 1.00 0.58 C ATOM 1725 NE ARG A 111 -10.959 -4.910 2.710 1.00 1.06 N ATOM 1726 CZ ARG A 111 -11.114 -6.187 3.050 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -10.058 -6.920 3.389 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -12.325 -6.725 3.058 1.00 2.01 N ATOM 0 H ARG A 111 -7.902 -0.120 3.822 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.999 -0.605 0.914 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -7.644 -2.576 2.012 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -8.405 -2.028 3.493 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -10.640 -2.315 2.403 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -9.835 -2.959 0.986 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.931 -4.820 2.219 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -9.347 -4.096 3.760 1.00 0.58 H new ATOM 0 HE ARG A 111 -11.786 -4.388 2.419 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -9.127 -6.504 3.389 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -10.179 -7.899 3.649 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -13.136 -6.160 2.804 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -12.447 -7.704 3.318 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.094 0.519 0.508 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.304 1.280 0.233 1.00 0.71 C ATOM 1744 C GLN A 112 -12.458 0.390 -0.183 1.00 0.89 C ATOM 1745 O GLN A 112 -13.504 0.386 0.460 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.026 2.368 -0.805 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.166 1.905 -1.962 1.00 0.71 C ATOM 1748 CD GLN A 112 -8.822 2.612 -2.020 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -7.816 2.056 -1.361 1.00 1.97 O flip ATOM 1750 NE2 GLN A 112 -8.693 3.668 -2.639 1.00 0.66 N flip ATOM 0 H GLN A 112 -9.458 0.436 -0.285 1.00 0.56 H new ATOM 0 HA GLN A 112 -11.609 1.764 1.161 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -11.975 2.736 -1.195 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -10.536 3.209 -0.314 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -10.002 0.831 -1.879 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -10.701 2.075 -2.896 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -9.489 4.068 -3.136 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.790 4.143 -2.655 1.00 0.66 H new ATOM 1759 N SER A 113 -12.279 -0.360 -1.246 1.00 0.79 N ATOM 1760 CA SER A 113 -13.334 -1.240 -1.715 1.00 0.96 C ATOM 1761 C SER A 113 -12.753 -2.475 -2.383 1.00 0.89 C ATOM 1762 O SER A 113 -13.476 -3.280 -2.976 1.00 1.18 O ATOM 1763 CB SER A 113 -14.219 -0.477 -2.688 1.00 1.25 C ATOM 1764 OG SER A 113 -15.485 -1.096 -2.846 1.00 1.62 O ATOM 0 H SER A 113 -11.423 -0.382 -1.800 1.00 0.79 H new ATOM 0 HA SER A 113 -13.927 -1.572 -0.863 1.00 0.96 H new ATOM 0 HB2 SER A 113 -14.356 0.544 -2.331 1.00 1.25 H new ATOM 0 HB3 SER A 113 -13.723 -0.412 -3.656 1.00 1.25 H new ATOM 0 HG SER A 113 -15.365 -2.062 -2.956 1.00 1.62 H new ATOM 1770 N LEU A 114 -11.450 -2.632 -2.273 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.789 -3.785 -2.826 1.00 0.94 C ATOM 1772 C LEU A 114 -10.942 -4.929 -1.852 1.00 1.13 C ATOM 1773 O LEU A 114 -10.372 -4.910 -0.765 1.00 1.65 O ATOM 1774 CB LEU A 114 -9.310 -3.501 -3.111 1.00 0.90 C ATOM 1775 CG LEU A 114 -9.030 -2.507 -4.245 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -9.808 -2.894 -5.493 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -9.362 -1.085 -3.821 1.00 1.23 C ATOM 0 H LEU A 114 -10.831 -1.971 -1.804 1.00 0.90 H new ATOM 0 HA LEU A 114 -11.247 -4.044 -3.781 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.849 -3.122 -2.199 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -8.817 -4.444 -3.349 1.00 0.90 H new ATOM 0 HG LEU A 114 -7.965 -2.545 -4.475 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -9.599 -2.179 -6.289 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -9.508 -3.892 -5.814 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -10.875 -2.889 -5.272 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -9.154 -0.402 -4.644 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -10.417 -1.022 -3.555 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -8.753 -0.811 -2.959 1.00 1.23 H new