USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=20 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 76 LYS NZ :NH3+ 155:sc= 1.29 (180deg=0) USER MOD Set 1.2: A 112 GLN : amide:sc= -1.76! C(o=-0.47!,f=-7!) USER MOD Set 2.1: A 86 THR OG1 : rot -91:sc= 0.422 USER MOD Set 2.2: A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 52:sc= 0.192 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.9! C(o=-7.7!,f=-1.9!) USER MOD Single : A 19 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.007) USER MOD Single : A 20 LYS NZ :NH3+ -129:sc= -2.54! (180deg=-4.1!) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.279 F(o=-1.3,f=-0.28) USER MOD Single : A 26 ASN : amide:sc= 2.02 K(o=2,f=-5.1!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.881 K(o=0.88,f=-0.093) 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= -0.421 USER MOD Single : A 72 GLN :FLIP amide:sc= -2.74 F(o=-3.6!,f=-2.7) USER MOD Single : A 78 MET CE :methyl -160:sc= -3.24! (180deg=-4.57!) USER MOD Single : A 79 GLN : amide:sc= -0.0498 K(o=-0.05,f=-1.3) USER MOD Single : A 81 ASN : amide:sc= -1.53 K(o=-1.5,f=-5.1!) USER MOD Single : A 85 MET CE :methyl -153:sc= -2.08 (180deg=-5.51!) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.697 USER MOD Single : A 90 HIS : no HE2:sc= -2.91! C(o=-2.9!,f=-4.7!) USER MOD Single : A 92 GLN : amide:sc= 0.909 K(o=0.91,f=-5.2!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 77:sc= 1.06 USER MOD Single : A 99 LYS NZ :NH3+ 158:sc= 1.33 (180deg=1.06) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 81:sc= 1.15 USER MOD Single : A 113 SER OG : rot -54:sc= 0.186 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -15.260 6.009 2.660 1.00 1.00 N ATOM 140 CA THR A 10 -15.179 5.297 3.896 1.00 1.07 C ATOM 141 C THR A 10 -14.501 3.963 3.692 1.00 0.92 C ATOM 142 O THR A 10 -15.133 2.919 3.523 1.00 0.99 O ATOM 143 CB THR A 10 -16.572 5.117 4.490 1.00 1.30 C ATOM 144 OG1 THR A 10 -17.463 4.586 3.498 1.00 2.09 O ATOM 145 CG2 THR A 10 -17.098 6.445 5.002 1.00 1.90 C ATOM 0 HA THR A 10 -14.579 5.876 4.599 1.00 1.07 H new ATOM 0 HB THR A 10 -16.511 4.418 5.324 1.00 1.30 H new ATOM 0 HG1 THR A 10 -17.064 3.788 3.093 1.00 2.09 H new ATOM 0 HG21 THR A 10 -18.093 6.304 5.424 1.00 1.90 H new ATOM 0 HG22 THR A 10 -16.429 6.829 5.772 1.00 1.90 H new ATOM 0 HG23 THR A 10 -17.151 7.157 4.179 1.00 1.90 H new ATOM 153 N ALA A 11 -13.201 4.053 3.658 1.00 0.83 N ATOM 154 CA ALA A 11 -12.332 2.907 3.545 1.00 0.74 C ATOM 155 C ALA A 11 -11.989 2.356 4.923 1.00 0.77 C ATOM 156 O ALA A 11 -12.390 2.909 5.946 1.00 0.96 O ATOM 157 CB ALA A 11 -11.078 3.304 2.791 1.00 0.70 C ATOM 0 H ALA A 11 -12.702 4.941 3.709 1.00 0.83 H new ATOM 0 HA ALA A 11 -12.843 2.118 2.993 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -10.418 2.441 2.703 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.348 3.657 1.796 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.565 4.100 3.331 1.00 0.70 H new ATOM 163 N VAL A 12 -11.232 1.275 4.934 1.00 0.65 N ATOM 164 CA VAL A 12 -10.862 0.594 6.168 1.00 0.72 C ATOM 165 C VAL A 12 -9.391 0.187 6.124 1.00 0.54 C ATOM 166 O VAL A 12 -8.935 -0.422 5.164 1.00 0.54 O ATOM 167 CB VAL A 12 -11.751 -0.651 6.417 1.00 0.89 C ATOM 168 CG1 VAL A 12 -11.692 -1.611 5.238 1.00 1.57 C ATOM 169 CG2 VAL A 12 -11.345 -1.352 7.704 1.00 1.38 C ATOM 0 H VAL A 12 -10.855 0.842 4.091 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.019 1.289 6.993 1.00 0.72 H new ATOM 0 HB VAL A 12 -12.782 -0.313 6.522 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -12.325 -2.475 5.440 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -12.045 -1.105 4.339 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -10.664 -1.941 5.089 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -11.981 -2.223 7.860 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -10.305 -1.670 7.632 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -11.457 -0.666 8.543 1.00 1.38 H new ATOM 179 N VAL A 13 -8.650 0.525 7.163 1.00 0.52 N ATOM 180 CA VAL A 13 -7.213 0.281 7.185 1.00 0.44 C ATOM 181 C VAL A 13 -6.898 -1.184 7.464 1.00 0.41 C ATOM 182 O VAL A 13 -7.168 -1.695 8.554 1.00 0.50 O ATOM 183 CB VAL A 13 -6.515 1.140 8.250 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.007 0.951 8.209 1.00 0.90 C ATOM 185 CG2 VAL A 13 -6.877 2.607 8.085 1.00 1.02 C ATOM 0 H VAL A 13 -9.016 0.970 8.005 1.00 0.52 H new ATOM 0 HA VAL A 13 -6.840 0.550 6.197 1.00 0.44 H new ATOM 0 HB VAL A 13 -6.868 0.808 9.227 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -4.542 1.572 8.974 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -4.766 -0.096 8.395 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -4.631 1.241 7.228 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -6.371 3.195 8.850 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -6.565 2.950 7.099 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -7.955 2.729 8.188 1.00 1.02 H new ATOM 195 N GLN A 14 -6.345 -1.855 6.470 1.00 0.37 N ATOM 196 CA GLN A 14 -5.826 -3.212 6.667 1.00 0.40 C ATOM 197 C GLN A 14 -4.301 -3.209 6.558 1.00 0.32 C ATOM 198 O GLN A 14 -3.718 -2.249 6.086 1.00 0.41 O ATOM 199 CB GLN A 14 -6.456 -4.198 5.671 1.00 0.51 C ATOM 200 CG GLN A 14 -5.969 -4.088 4.237 1.00 0.53 C ATOM 201 CD GLN A 14 -4.910 -5.114 3.892 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.652 -4.727 4.006 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -5.225 -6.232 3.505 1.00 0.55 N flip ATOM 0 H GLN A 14 -6.240 -1.493 5.522 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.100 -3.547 7.668 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -6.266 -5.212 6.023 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.536 -4.054 5.680 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.816 -4.207 3.561 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.567 -3.089 4.071 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -6.210 -6.488 3.432 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -4.503 -6.908 3.255 1.00 0.55 H new ATOM 212 N ARG A 15 -3.632 -4.273 6.967 1.00 0.32 N ATOM 213 CA ARG A 15 -2.189 -4.256 6.952 1.00 0.39 C ATOM 214 C ARG A 15 -1.634 -5.365 6.079 1.00 0.33 C ATOM 215 O ARG A 15 -2.144 -6.486 6.077 1.00 0.55 O ATOM 216 CB ARG A 15 -1.622 -4.340 8.365 1.00 0.70 C ATOM 217 CG ARG A 15 -1.712 -5.704 9.021 1.00 0.75 C ATOM 218 CD ARG A 15 -0.356 -6.391 9.004 1.00 1.44 C ATOM 219 NE ARG A 15 -0.389 -7.714 9.629 1.00 2.26 N ATOM 220 CZ ARG A 15 -0.034 -7.958 10.893 1.00 2.85 C ATOM 221 NH1 ARG A 15 0.403 -6.971 11.671 1.00 2.98 N ATOM 222 NH2 ARG A 15 -0.094 -9.195 11.365 1.00 3.63 N ATOM 0 H ARG A 15 -4.056 -5.137 7.305 1.00 0.32 H new ATOM 0 HA ARG A 15 -1.877 -3.305 6.521 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -0.575 -4.037 8.337 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -2.146 -3.619 8.992 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -2.060 -5.598 10.048 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -2.445 -6.319 8.498 1.00 0.75 H new ATOM 0 HD2 ARG A 15 -0.015 -6.488 7.973 1.00 1.44 H new ATOM 0 HD3 ARG A 15 0.371 -5.766 9.523 1.00 1.44 H new ATOM 0 HE ARG A 15 -0.704 -8.501 9.062 1.00 2.26 H new ATOM 0 HH11 ARG A 15 0.468 -6.022 11.303 1.00 2.98 H new ATOM 0 HH12 ARG A 15 0.673 -7.163 12.636 1.00 2.98 H new ATOM 0 HH21 ARG A 15 -0.410 -9.956 10.763 1.00 3.63 H new ATOM 0 HH22 ARG A 15 0.176 -9.386 12.330 1.00 3.63 H new ATOM 236 N VAL A 16 -0.608 -5.028 5.324 1.00 0.25 N ATOM 237 CA VAL A 16 0.069 -5.973 4.475 1.00 0.30 C ATOM 238 C VAL A 16 1.433 -6.287 5.055 1.00 0.26 C ATOM 239 O VAL A 16 2.331 -5.451 5.066 1.00 0.40 O ATOM 240 CB VAL A 16 0.206 -5.441 3.027 1.00 0.51 C ATOM 241 CG1 VAL A 16 1.261 -6.206 2.240 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.127 -5.524 2.317 1.00 0.64 C ATOM 0 H VAL A 16 -0.222 -4.084 5.286 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.527 -6.885 4.432 1.00 0.30 H new ATOM 0 HB VAL A 16 0.526 -4.401 3.086 1.00 0.51 H new ATOM 0 HG11 VAL A 16 1.326 -5.802 1.230 1.00 1.02 H new ATOM 0 HG12 VAL A 16 2.227 -6.105 2.734 1.00 1.02 H new ATOM 0 HG13 VAL A 16 0.986 -7.260 2.192 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -1.021 -5.148 1.299 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.460 -6.562 2.288 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -1.862 -4.922 2.852 1.00 0.64 H new ATOM 252 N GLU A 17 1.562 -7.483 5.570 1.00 0.22 N ATOM 253 CA GLU A 17 2.812 -7.927 6.146 1.00 0.25 C ATOM 254 C GLU A 17 3.279 -9.182 5.437 1.00 0.24 C ATOM 255 O GLU A 17 2.650 -10.235 5.547 1.00 0.28 O ATOM 256 CB GLU A 17 2.648 -8.181 7.647 1.00 0.33 C ATOM 257 CG GLU A 17 3.872 -8.795 8.306 1.00 0.44 C ATOM 258 CD GLU A 17 3.673 -9.034 9.787 1.00 0.75 C ATOM 259 OE1 GLU A 17 3.915 -8.097 10.579 1.00 1.31 O ATOM 260 OE2 GLU A 17 3.273 -10.155 10.168 1.00 1.35 O ATOM 0 H GLU A 17 0.812 -8.174 5.604 1.00 0.22 H new ATOM 0 HA GLU A 17 3.564 -7.148 6.017 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.416 -7.238 8.142 1.00 0.33 H new ATOM 0 HB3 GLU A 17 1.794 -8.841 7.803 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.108 -9.740 7.817 1.00 0.44 H new ATOM 0 HG3 GLU A 17 4.729 -8.137 8.159 1.00 0.44 H new ATOM 267 N ILE A 18 4.364 -9.074 4.691 1.00 0.24 N ATOM 268 CA ILE A 18 4.870 -10.219 3.989 1.00 0.24 C ATOM 269 C ILE A 18 6.365 -10.284 4.178 1.00 0.27 C ATOM 270 O ILE A 18 7.024 -9.259 4.335 1.00 0.33 O ATOM 271 CB ILE A 18 4.506 -10.200 2.485 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.815 -11.556 1.855 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.240 -9.086 1.748 1.00 0.27 C ATOM 274 CD1 ILE A 18 4.032 -12.697 2.467 1.00 0.61 C ATOM 0 H ILE A 18 4.898 -8.215 4.562 1.00 0.24 H new ATOM 0 HA ILE A 18 4.401 -11.111 4.405 1.00 0.24 H new ATOM 0 HB ILE A 18 3.438 -10.003 2.397 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.600 -11.509 0.787 1.00 0.34 H new ATOM 0 HG13 ILE A 18 5.881 -11.761 1.957 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.961 -9.102 0.694 1.00 0.27 H new ATOM 0 HG22 ILE A 18 4.969 -8.123 2.181 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.316 -9.236 1.841 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.301 -13.630 1.972 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.265 -12.770 3.529 1.00 0.61 H new ATOM 0 HD13 ILE A 18 2.965 -12.514 2.342 1.00 0.61 H new ATOM 286 N HIS A 19 6.896 -11.481 4.205 1.00 0.30 N ATOM 287 CA HIS A 19 8.313 -11.645 4.374 1.00 0.33 C ATOM 288 C HIS A 19 8.988 -11.362 3.049 1.00 0.35 C ATOM 289 O HIS A 19 8.850 -12.133 2.104 1.00 0.40 O ATOM 290 CB HIS A 19 8.630 -13.038 4.922 1.00 0.39 C ATOM 291 CG HIS A 19 8.158 -13.212 6.341 1.00 0.44 C ATOM 292 ND1 HIS A 19 8.957 -13.691 7.357 1.00 0.54 N ATOM 293 CD2 HIS A 19 6.961 -12.927 6.916 1.00 0.46 C ATOM 294 CE1 HIS A 19 8.272 -13.688 8.489 1.00 0.60 C ATOM 295 NE2 HIS A 19 7.062 -13.230 8.249 1.00 0.56 N ATOM 0 H HIS A 19 6.370 -12.350 4.112 1.00 0.30 H new ATOM 0 HA HIS A 19 8.699 -10.939 5.109 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.160 -13.791 4.290 1.00 0.39 H new ATOM 0 HB3 HIS A 19 9.705 -13.209 4.875 1.00 0.39 H new ATOM 0 HD2 HIS A 19 6.089 -12.534 6.415 1.00 0.46 H new ATOM 0 HE1 HIS A 19 8.644 -14.008 9.451 1.00 0.60 H new ATOM 0 HE2 HIS A 19 6.321 -13.119 8.941 1.00 0.56 H new ATOM 304 N LYS A 20 9.626 -10.186 3.003 1.00 0.34 N ATOM 305 CA LYS A 20 10.273 -9.629 1.807 1.00 0.36 C ATOM 306 C LYS A 20 10.746 -10.708 0.827 1.00 0.36 C ATOM 307 O LYS A 20 11.310 -11.731 1.233 1.00 0.42 O ATOM 308 CB LYS A 20 11.439 -8.721 2.242 1.00 0.40 C ATOM 309 CG LYS A 20 12.561 -9.403 3.020 1.00 1.42 C ATOM 310 CD LYS A 20 13.610 -10.026 2.108 1.00 2.33 C ATOM 311 CE LYS A 20 14.917 -10.275 2.846 1.00 3.13 C ATOM 312 NZ LYS A 20 14.740 -11.140 4.041 1.00 4.00 N ATOM 0 H LYS A 20 9.709 -9.579 3.818 1.00 0.34 H new ATOM 0 HA LYS A 20 9.531 -9.043 1.265 1.00 0.36 H new ATOM 0 HB2 LYS A 20 11.868 -8.262 1.351 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.037 -7.914 2.855 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.040 -8.674 3.674 1.00 1.42 H new ATOM 0 HG3 LYS A 20 12.136 -10.176 3.661 1.00 1.42 H new ATOM 0 HD2 LYS A 20 13.232 -10.967 1.708 1.00 2.33 H new ATOM 0 HD3 LYS A 20 13.791 -9.368 1.258 1.00 2.33 H new ATOM 0 HE2 LYS A 20 15.631 -10.741 2.167 1.00 3.13 H new ATOM 0 HE3 LYS A 20 15.345 -9.321 3.153 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 15.178 -10.685 4.867 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 13.725 -11.280 4.221 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 15.192 -12.061 3.873 1.00 4.00 H new ATOM 326 N LEU A 21 10.573 -10.469 -0.472 1.00 0.33 N ATOM 327 CA LEU A 21 10.820 -11.531 -1.434 1.00 0.37 C ATOM 328 C LEU A 21 12.242 -11.437 -1.944 1.00 0.41 C ATOM 329 O LEU A 21 12.532 -10.812 -2.959 1.00 0.45 O ATOM 330 CB LEU A 21 9.824 -11.486 -2.598 1.00 0.38 C ATOM 331 CG LEU A 21 9.933 -12.650 -3.587 1.00 0.45 C ATOM 332 CD1 LEU A 21 9.673 -13.978 -2.888 1.00 0.55 C ATOM 333 CD2 LEU A 21 8.964 -12.460 -4.743 1.00 0.48 C ATOM 0 H LEU A 21 10.273 -9.579 -0.869 1.00 0.33 H new ATOM 0 HA LEU A 21 10.681 -12.487 -0.928 1.00 0.37 H new ATOM 0 HB2 LEU A 21 8.813 -11.468 -2.191 1.00 0.38 H new ATOM 0 HB3 LEU A 21 9.965 -10.552 -3.142 1.00 0.38 H new ATOM 0 HG LEU A 21 10.948 -12.665 -3.985 1.00 0.45 H new ATOM 0 HD11 LEU A 21 9.756 -14.791 -3.609 1.00 0.55 H new ATOM 0 HD12 LEU A 21 10.406 -14.121 -2.094 1.00 0.55 H new ATOM 0 HD13 LEU A 21 8.671 -13.974 -2.459 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.055 -13.297 -5.436 1.00 0.48 H new ATOM 0 HD22 LEU A 21 7.945 -12.416 -4.360 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.196 -11.531 -5.264 1.00 0.48 H new ATOM 345 N ARG A 22 13.119 -12.055 -1.180 1.00 0.51 N ATOM 346 CA ARG A 22 14.547 -12.014 -1.418 1.00 0.61 C ATOM 347 C ARG A 22 14.906 -12.456 -2.829 1.00 0.60 C ATOM 348 O ARG A 22 14.389 -13.448 -3.348 1.00 0.66 O ATOM 349 CB ARG A 22 15.305 -12.859 -0.382 1.00 0.88 C ATOM 350 CG ARG A 22 15.032 -14.359 -0.453 1.00 1.19 C ATOM 351 CD ARG A 22 13.608 -14.694 -0.038 1.00 1.94 C ATOM 352 NE ARG A 22 13.374 -16.132 0.085 1.00 2.47 N ATOM 353 CZ ARG A 22 12.161 -16.697 0.064 1.00 3.28 C ATOM 354 NH1 ARG A 22 11.070 -15.950 -0.101 1.00 3.78 N ATOM 355 NH2 ARG A 22 12.045 -18.011 0.221 1.00 3.97 N ATOM 0 H ARG A 22 12.856 -12.608 -0.364 1.00 0.51 H new ATOM 0 HA ARG A 22 14.855 -10.974 -1.312 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.374 -12.693 -0.511 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.045 -12.504 0.615 1.00 0.88 H new ATOM 0 HG2 ARG A 22 15.207 -14.713 -1.469 1.00 1.19 H new ATOM 0 HG3 ARG A 22 15.733 -14.887 0.194 1.00 1.19 H new ATOM 0 HD2 ARG A 22 13.390 -14.213 0.915 1.00 1.94 H new ATOM 0 HD3 ARG A 22 12.915 -14.280 -0.770 1.00 1.94 H new ATOM 0 HE ARG A 22 14.185 -16.742 0.193 1.00 2.47 H new ATOM 0 HH11 ARG A 22 11.156 -14.940 -0.212 1.00 3.78 H new ATOM 0 HH12 ARG A 22 10.149 -16.388 -0.116 1.00 3.78 H new ATOM 0 HH21 ARG A 22 12.878 -18.584 0.357 1.00 3.97 H new ATOM 0 HH22 ARG A 22 11.123 -18.447 0.206 1.00 3.97 H new ATOM 369 N GLN A 23 15.776 -11.683 -3.437 1.00 0.68 N ATOM 370 CA GLN A 23 16.308 -11.975 -4.749 1.00 0.81 C ATOM 371 C GLN A 23 17.819 -12.020 -4.655 1.00 0.93 C ATOM 372 O GLN A 23 18.463 -10.979 -4.732 1.00 1.02 O ATOM 373 CB GLN A 23 15.900 -10.874 -5.724 1.00 0.90 C ATOM 374 CG GLN A 23 15.900 -11.308 -7.173 1.00 1.04 C ATOM 375 CD GLN A 23 14.944 -12.454 -7.448 1.00 0.92 C ATOM 376 OE1 GLN A 23 13.887 -12.574 -6.651 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 15.167 -13.244 -8.363 1.00 0.69 N flip ATOM 0 H GLN A 23 16.139 -10.822 -3.029 1.00 0.68 H new ATOM 0 HA GLN A 23 15.921 -12.930 -5.103 1.00 0.81 H new ATOM 0 HB2 GLN A 23 14.903 -10.520 -5.461 1.00 0.90 H new ATOM 0 HB3 GLN A 23 16.579 -10.029 -5.608 1.00 0.90 H new ATOM 0 HG2 GLN A 23 15.631 -10.459 -7.801 1.00 1.04 H new ATOM 0 HG3 GLN A 23 16.909 -11.607 -7.457 1.00 1.04 H new ATOM 0 HE21 GLN A 23 15.989 -13.120 -8.955 1.00 0.69 H new ATOM 0 HE22 GLN A 23 14.530 -14.023 -8.531 1.00 0.69 H new ATOM 386 N GLY A 24 18.379 -13.205 -4.472 1.00 1.03 N ATOM 387 CA GLY A 24 19.803 -13.316 -4.236 1.00 1.19 C ATOM 388 C GLY A 24 20.193 -12.682 -2.916 1.00 1.23 C ATOM 389 O GLY A 24 20.275 -13.360 -1.891 1.00 1.33 O ATOM 0 H GLY A 24 17.874 -14.091 -4.483 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.093 -14.367 -4.237 1.00 1.19 H new ATOM 0 HA3 GLY A 24 20.347 -12.834 -5.048 1.00 1.19 H new ATOM 393 N GLU A 25 20.403 -11.372 -2.939 1.00 1.27 N ATOM 394 CA GLU A 25 20.768 -10.633 -1.743 1.00 1.43 C ATOM 395 C GLU A 25 19.868 -9.417 -1.566 1.00 1.40 C ATOM 396 O GLU A 25 20.076 -8.595 -0.676 1.00 1.61 O ATOM 397 CB GLU A 25 22.225 -10.202 -1.833 1.00 1.67 C ATOM 398 CG GLU A 25 23.155 -11.354 -2.164 1.00 1.84 C ATOM 399 CD GLU A 25 24.595 -10.923 -2.311 1.00 2.03 C ATOM 400 OE1 GLU A 25 24.843 -9.912 -2.998 1.00 2.21 O ATOM 401 OE2 GLU A 25 25.481 -11.585 -1.739 1.00 2.33 O ATOM 0 H GLU A 25 20.326 -10.799 -3.779 1.00 1.27 H new ATOM 0 HA GLU A 25 20.638 -11.281 -0.876 1.00 1.43 H new ATOM 0 HB2 GLU A 25 22.325 -9.429 -2.595 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.527 -9.757 -0.885 1.00 1.67 H new ATOM 0 HG2 GLU A 25 23.085 -12.108 -1.380 1.00 1.84 H new ATOM 0 HG3 GLU A 25 22.826 -11.826 -3.090 1.00 1.84 H new ATOM 408 N ASN A 26 18.858 -9.323 -2.414 1.00 1.21 N ATOM 409 CA ASN A 26 17.946 -8.185 -2.396 1.00 1.23 C ATOM 410 C ASN A 26 16.580 -8.627 -1.909 1.00 1.05 C ATOM 411 O ASN A 26 16.393 -9.785 -1.551 1.00 1.06 O ATOM 412 CB ASN A 26 17.798 -7.581 -3.796 1.00 1.31 C ATOM 413 CG ASN A 26 19.108 -7.511 -4.541 1.00 1.39 C ATOM 414 OD1 ASN A 26 19.849 -6.538 -4.436 1.00 1.87 O ATOM 415 ND2 ASN A 26 19.393 -8.554 -5.298 1.00 1.33 N ATOM 0 H ASN A 26 18.646 -10.021 -3.126 1.00 1.21 H new ATOM 0 HA ASN A 26 18.359 -7.433 -1.724 1.00 1.23 H new ATOM 0 HB2 ASN A 26 17.089 -8.177 -4.371 1.00 1.31 H new ATOM 0 HB3 ASN A 26 17.378 -6.579 -3.712 1.00 1.31 H new ATOM 0 HD21 ASN A 26 20.263 -8.576 -5.830 1.00 1.33 H new ATOM 0 HD22 ASN A 26 18.743 -9.338 -5.351 1.00 1.33 H new ATOM 422 N LEU A 27 15.632 -7.704 -1.898 1.00 0.95 N ATOM 423 CA LEU A 27 14.251 -8.033 -1.606 1.00 0.82 C ATOM 424 C LEU A 27 13.385 -7.476 -2.721 1.00 0.71 C ATOM 425 O LEU A 27 13.698 -6.429 -3.291 1.00 0.81 O ATOM 426 CB LEU A 27 13.806 -7.472 -0.245 1.00 0.93 C ATOM 427 CG LEU A 27 13.287 -6.031 -0.248 1.00 1.28 C ATOM 428 CD1 LEU A 27 12.732 -5.667 1.116 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.382 -5.050 -0.650 1.00 1.62 C ATOM 0 H LEU A 27 15.798 -6.716 -2.089 1.00 0.95 H new ATOM 0 HA LEU A 27 14.146 -9.116 -1.548 1.00 0.82 H new ATOM 0 HB2 LEU A 27 13.023 -8.118 0.153 1.00 0.93 H new ATOM 0 HB3 LEU A 27 14.649 -7.532 0.443 1.00 0.93 H new ATOM 0 HG LEU A 27 12.487 -5.965 -0.985 1.00 1.28 H new ATOM 0 HD11 LEU A 27 12.367 -4.640 1.098 1.00 2.28 H new ATOM 0 HD12 LEU A 27 11.911 -6.339 1.366 1.00 2.28 H new ATOM 0 HD13 LEU A 27 13.518 -5.760 1.865 1.00 2.28 H new ATOM 0 HD21 LEU A 27 13.983 -4.036 -0.643 1.00 1.62 H new ATOM 0 HD22 LEU A 27 15.210 -5.119 0.056 1.00 1.62 H new ATOM 0 HD23 LEU A 27 14.738 -5.292 -1.651 1.00 1.62 H new ATOM 441 N ILE A 28 12.336 -8.184 -3.059 1.00 0.57 N ATOM 442 CA ILE A 28 11.432 -7.730 -4.087 1.00 0.52 C ATOM 443 C ILE A 28 10.070 -7.397 -3.497 1.00 0.44 C ATOM 444 O ILE A 28 9.580 -8.083 -2.583 1.00 0.43 O ATOM 445 CB ILE A 28 11.302 -8.777 -5.232 1.00 0.53 C ATOM 446 CG1 ILE A 28 12.081 -8.320 -6.470 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.848 -9.051 -5.601 1.00 0.47 C ATOM 448 CD1 ILE A 28 13.552 -8.083 -6.216 1.00 0.80 C ATOM 0 H ILE A 28 12.087 -9.078 -2.637 1.00 0.57 H new ATOM 0 HA ILE A 28 11.849 -6.820 -4.519 1.00 0.52 H new ATOM 0 HB ILE A 28 11.728 -9.709 -4.861 1.00 0.53 H new ATOM 0 HG12 ILE A 28 11.974 -9.072 -7.252 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.635 -7.400 -6.849 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.809 -9.787 -6.404 1.00 0.47 H new ATOM 0 HG22 ILE A 28 9.318 -9.435 -4.730 1.00 0.47 H new ATOM 0 HG23 ILE A 28 9.377 -8.126 -5.934 1.00 0.47 H new ATOM 0 HD11 ILE A 28 14.034 -7.762 -7.140 1.00 0.80 H new ATOM 0 HD12 ILE A 28 13.670 -7.309 -5.457 1.00 0.80 H new ATOM 0 HD13 ILE A 28 14.014 -9.006 -5.867 1.00 0.80 H new ATOM 460 N LEU A 29 9.500 -6.313 -4.000 1.00 0.51 N ATOM 461 CA LEU A 29 8.146 -5.915 -3.677 1.00 0.55 C ATOM 462 C LEU A 29 7.223 -6.312 -4.820 1.00 0.73 C ATOM 463 O LEU A 29 7.476 -5.985 -5.980 1.00 1.74 O ATOM 464 CB LEU A 29 8.055 -4.403 -3.420 1.00 0.71 C ATOM 465 CG LEU A 29 8.642 -3.497 -4.515 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.879 -2.183 -4.585 1.00 1.28 C ATOM 467 CD2 LEU A 29 10.116 -3.220 -4.246 1.00 1.33 C ATOM 0 H LEU A 29 9.971 -5.682 -4.649 1.00 0.51 H new ATOM 0 HA LEU A 29 7.841 -6.423 -2.762 1.00 0.55 H new ATOM 0 HB2 LEU A 29 7.006 -4.140 -3.282 1.00 0.71 H new ATOM 0 HB3 LEU A 29 8.564 -4.183 -2.482 1.00 0.71 H new ATOM 0 HG LEU A 29 8.547 -4.014 -5.470 1.00 0.74 H new ATOM 0 HD11 LEU A 29 8.308 -1.554 -5.365 1.00 1.28 H new ATOM 0 HD12 LEU A 29 6.832 -2.382 -4.814 1.00 1.28 H new ATOM 0 HD13 LEU A 29 7.949 -1.670 -3.626 1.00 1.28 H new ATOM 0 HD21 LEU A 29 10.515 -2.577 -5.031 1.00 1.33 H new ATOM 0 HD22 LEU A 29 10.223 -2.724 -3.282 1.00 1.33 H new ATOM 0 HD23 LEU A 29 10.666 -4.161 -4.233 1.00 1.33 H new ATOM 479 N GLY A 30 6.160 -7.025 -4.499 1.00 0.40 N ATOM 480 CA GLY A 30 5.312 -7.574 -5.536 1.00 0.32 C ATOM 481 C GLY A 30 4.125 -6.698 -5.858 1.00 0.35 C ATOM 482 O GLY A 30 3.000 -7.170 -5.885 1.00 0.69 O ATOM 0 H GLY A 30 5.868 -7.234 -3.545 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.903 -7.721 -6.440 1.00 0.32 H new ATOM 0 HA3 GLY A 30 4.957 -8.556 -5.224 1.00 0.32 H new ATOM 486 N PHE A 31 4.381 -5.426 -6.063 1.00 0.29 N ATOM 487 CA PHE A 31 3.358 -4.455 -6.410 1.00 0.28 C ATOM 488 C PHE A 31 4.025 -3.265 -7.078 1.00 0.31 C ATOM 489 O PHE A 31 5.242 -3.113 -6.958 1.00 0.42 O ATOM 490 CB PHE A 31 2.613 -4.015 -5.147 1.00 0.28 C ATOM 491 CG PHE A 31 3.510 -3.550 -4.026 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.930 -2.230 -3.947 1.00 0.42 C ATOM 493 CD2 PHE A 31 3.917 -4.433 -3.034 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.734 -1.802 -2.907 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.727 -4.010 -1.995 1.00 0.42 C ATOM 496 CZ PHE A 31 5.133 -2.692 -1.929 1.00 0.51 C ATOM 0 H PHE A 31 5.317 -5.027 -5.993 1.00 0.29 H new ATOM 0 HA PHE A 31 2.636 -4.897 -7.096 1.00 0.28 H new ATOM 0 HB2 PHE A 31 1.928 -3.208 -5.406 1.00 0.28 H new ATOM 0 HB3 PHE A 31 2.006 -4.847 -4.789 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.625 -1.527 -4.708 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.597 -5.464 -3.074 1.00 0.33 H new ATOM 0 HE1 PHE A 31 5.050 -0.771 -2.859 1.00 0.50 H new ATOM 0 HE2 PHE A 31 5.042 -4.711 -1.236 1.00 0.42 H new ATOM 0 HZ PHE A 31 5.760 -2.358 -1.116 1.00 0.51 H new ATOM 506 N SER A 32 3.272 -2.421 -7.777 1.00 0.25 N ATOM 507 CA SER A 32 3.852 -1.190 -8.238 1.00 0.23 C ATOM 508 C SER A 32 3.321 -0.074 -7.370 1.00 0.23 C ATOM 509 O SER A 32 2.316 -0.256 -6.702 1.00 0.29 O ATOM 510 CB SER A 32 3.561 -0.968 -9.709 1.00 0.25 C ATOM 511 OG SER A 32 4.732 -0.594 -10.414 1.00 0.53 O ATOM 0 H SER A 32 2.293 -2.569 -8.024 1.00 0.25 H new ATOM 0 HA SER A 32 4.938 -1.223 -8.152 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.149 -1.879 -10.142 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.804 -0.192 -9.819 1.00 0.25 H new ATOM 0 HG SER A 32 4.515 -0.459 -11.360 1.00 0.53 H new ATOM 517 N ILE A 33 3.975 1.066 -7.344 1.00 0.23 N ATOM 518 CA ILE A 33 3.674 2.030 -6.299 1.00 0.25 C ATOM 519 C ILE A 33 4.039 3.464 -6.663 1.00 0.25 C ATOM 520 O ILE A 33 5.106 3.728 -7.213 1.00 0.32 O ATOM 521 CB ILE A 33 4.438 1.661 -4.999 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.323 2.778 -3.949 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.897 1.379 -5.314 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.343 2.681 -2.829 1.00 0.37 C ATOM 0 H ILE A 33 4.696 1.347 -8.009 1.00 0.23 H new ATOM 0 HA ILE A 33 2.594 1.984 -6.160 1.00 0.25 H new ATOM 0 HB ILE A 33 3.984 0.762 -4.581 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.435 3.742 -4.445 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.322 2.755 -3.518 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.424 1.121 -4.396 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.964 0.548 -6.016 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.352 2.265 -5.757 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.195 3.504 -2.130 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.219 1.733 -2.305 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.348 2.735 -3.247 1.00 0.37 H new ATOM 536 N GLY A 34 3.146 4.387 -6.331 1.00 0.26 N ATOM 537 CA GLY A 34 3.551 5.759 -6.147 1.00 0.43 C ATOM 538 C GLY A 34 2.719 6.414 -5.073 1.00 0.30 C ATOM 539 O GLY A 34 1.500 6.447 -5.142 1.00 0.72 O ATOM 0 H GLY A 34 2.152 4.207 -6.187 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.606 5.800 -5.874 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.442 6.306 -7.084 1.00 0.43 H new ATOM 543 N GLY A 35 3.380 6.834 -4.028 1.00 0.77 N ATOM 544 CA GLY A 35 2.736 7.611 -2.994 1.00 0.93 C ATOM 545 C GLY A 35 3.635 8.686 -2.481 1.00 0.73 C ATOM 546 O GLY A 35 4.688 8.368 -1.967 1.00 1.42 O ATOM 0 H GLY A 35 4.370 6.652 -3.866 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.822 8.056 -3.387 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.444 6.956 -2.173 1.00 0.93 H new ATOM 550 N GLY A 36 3.290 9.930 -2.626 1.00 0.40 N ATOM 551 CA GLY A 36 4.143 10.939 -2.049 1.00 0.39 C ATOM 552 C GLY A 36 3.500 12.301 -2.012 1.00 0.35 C ATOM 553 O GLY A 36 2.768 12.662 -2.940 1.00 0.48 O ATOM 0 H GLY A 36 2.461 10.267 -3.116 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.413 10.643 -1.035 1.00 0.39 H new ATOM 0 HA3 GLY A 36 5.069 10.996 -2.622 1.00 0.39 H new ATOM 557 N ILE A 37 3.758 13.057 -0.958 1.00 0.37 N ATOM 558 CA ILE A 37 3.742 14.509 -1.068 1.00 0.41 C ATOM 559 C ILE A 37 4.788 14.882 -2.099 1.00 0.38 C ATOM 560 O ILE A 37 4.715 15.916 -2.757 1.00 0.46 O ATOM 561 CB ILE A 37 4.094 15.201 0.260 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.275 14.476 0.925 1.00 0.47 C ATOM 563 CG2 ILE A 37 2.874 15.265 1.169 1.00 0.52 C ATOM 564 CD1 ILE A 37 5.710 15.094 2.237 1.00 0.49 C ATOM 0 H ILE A 37 3.978 12.698 -0.029 1.00 0.37 H new ATOM 0 HA ILE A 37 2.739 14.834 -1.347 1.00 0.41 H new ATOM 0 HB ILE A 37 4.400 16.229 0.066 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.000 13.435 1.098 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.121 14.472 0.238 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.142 15.758 2.104 1.00 0.52 H new ATOM 0 HG22 ILE A 37 2.082 15.829 0.676 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.523 14.255 1.379 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.547 14.528 2.646 1.00 0.49 H new ATOM 0 HD12 ILE A 37 6.017 16.126 2.069 1.00 0.49 H new ATOM 0 HD13 ILE A 37 4.879 15.073 2.942 1.00 0.49 H new ATOM 576 N ASP A 38 5.759 13.981 -2.203 1.00 0.35 N ATOM 577 CA ASP A 38 6.800 14.024 -3.203 1.00 0.40 C ATOM 578 C ASP A 38 6.201 14.140 -4.603 1.00 0.56 C ATOM 579 O ASP A 38 6.657 14.928 -5.429 1.00 0.69 O ATOM 580 CB ASP A 38 7.608 12.737 -3.129 1.00 0.39 C ATOM 581 CG ASP A 38 8.500 12.505 -4.326 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.618 13.054 -4.354 1.00 0.68 O ATOM 583 OD2 ASP A 38 8.086 11.739 -5.219 1.00 0.72 O ATOM 0 H ASP A 38 5.839 13.182 -1.573 1.00 0.35 H new ATOM 0 HA ASP A 38 7.431 14.892 -3.012 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.222 12.756 -2.229 1.00 0.39 H new ATOM 0 HB3 ASP A 38 6.923 11.895 -3.030 1.00 0.39 H new ATOM 588 N GLN A 39 5.163 13.328 -4.839 1.00 0.63 N ATOM 589 CA GLN A 39 4.562 13.179 -6.160 1.00 0.85 C ATOM 590 C GLN A 39 3.966 14.501 -6.664 1.00 0.93 C ATOM 591 O GLN A 39 4.496 15.103 -7.596 1.00 1.19 O ATOM 592 CB GLN A 39 3.497 12.070 -6.118 1.00 0.98 C ATOM 593 CG GLN A 39 4.049 10.698 -5.739 1.00 1.00 C ATOM 594 CD GLN A 39 4.961 10.119 -6.802 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.513 9.386 -7.685 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.244 10.432 -6.733 1.00 0.82 N ATOM 0 H GLN A 39 4.720 12.759 -4.117 1.00 0.63 H new ATOM 0 HA GLN A 39 5.343 12.896 -6.866 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.723 12.350 -5.403 1.00 0.98 H new ATOM 0 HB3 GLN A 39 3.019 12.001 -7.095 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.597 10.778 -4.800 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.219 10.013 -5.566 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.581 11.042 -5.988 1.00 0.82 H new ATOM 0 HE22 GLN A 39 6.897 10.063 -7.425 1.00 0.82 H new ATOM 815 N GLY A 54 -0.889 10.739 0.217 1.00 0.78 N ATOM 816 CA GLY A 54 -0.255 9.676 0.949 1.00 0.65 C ATOM 817 C GLY A 54 0.567 8.808 0.031 1.00 0.53 C ATOM 818 O GLY A 54 1.091 9.289 -0.987 1.00 0.57 O ATOM 0 HA2 GLY A 54 0.382 10.095 1.728 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -1.012 9.071 1.448 1.00 0.65 H new ATOM 822 N ILE A 55 0.673 7.530 0.369 1.00 0.48 N ATOM 823 CA ILE A 55 1.339 6.574 -0.492 1.00 0.40 C ATOM 824 C ILE A 55 0.321 5.558 -0.985 1.00 0.33 C ATOM 825 O ILE A 55 -0.536 5.162 -0.230 1.00 0.43 O ATOM 826 CB ILE A 55 2.521 5.889 0.241 1.00 0.46 C ATOM 827 CG1 ILE A 55 3.751 6.796 0.209 1.00 0.51 C ATOM 828 CG2 ILE A 55 2.862 4.545 -0.386 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.676 8.036 1.080 1.00 0.54 C ATOM 0 H ILE A 55 0.305 7.135 1.235 1.00 0.48 H new ATOM 0 HA ILE A 55 1.763 7.094 -1.351 1.00 0.40 H new ATOM 0 HB ILE A 55 2.217 5.716 1.273 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.619 6.212 0.515 1.00 0.51 H new ATOM 0 HG13 ILE A 55 3.923 7.108 -0.821 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.695 4.093 0.153 1.00 0.45 H new ATOM 0 HG22 ILE A 55 1.995 3.887 -0.331 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.141 4.691 -1.429 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.600 8.606 0.982 1.00 0.54 H new ATOM 0 HD12 ILE A 55 2.834 8.652 0.764 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.540 7.742 2.121 1.00 0.54 H new ATOM 841 N TYR A 56 0.360 5.164 -2.257 1.00 0.25 N ATOM 842 CA TYR A 56 -0.654 4.259 -2.761 1.00 0.23 C ATOM 843 C TYR A 56 -0.051 3.287 -3.736 1.00 0.18 C ATOM 844 O TYR A 56 0.829 3.630 -4.530 1.00 0.28 O ATOM 845 CB TYR A 56 -1.837 4.998 -3.414 1.00 0.36 C ATOM 846 CG TYR A 56 -1.632 6.480 -3.524 1.00 0.32 C ATOM 847 CD1 TYR A 56 -1.793 7.299 -2.429 1.00 0.67 C ATOM 848 CD2 TYR A 56 -1.308 7.050 -4.736 1.00 0.83 C ATOM 849 CE1 TYR A 56 -1.641 8.671 -2.536 1.00 0.90 C ATOM 850 CE2 TYR A 56 -1.161 8.415 -4.865 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.182 9.210 -3.688 1.00 1.01 C ATOM 852 OH TYR A 56 -1.200 10.591 -3.899 1.00 1.42 O ATOM 0 H TYR A 56 1.065 5.451 -2.936 1.00 0.25 H new ATOM 0 HA TYR A 56 -1.048 3.717 -1.902 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.006 4.588 -4.410 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.739 4.807 -2.833 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -2.042 6.865 -1.472 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -1.167 6.417 -5.600 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -1.889 9.310 -1.701 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -1.033 8.868 -5.837 1.00 1.14 H new ATOM 0 HH TYR A 56 -0.830 10.792 -4.784 1.00 1.42 H new ATOM 862 N VAL A 57 -0.502 2.063 -3.635 1.00 0.18 N ATOM 863 CA VAL A 57 -0.027 1.022 -4.494 1.00 0.17 C ATOM 864 C VAL A 57 -0.767 1.058 -5.809 1.00 0.16 C ATOM 865 O VAL A 57 -1.972 1.313 -5.850 1.00 0.22 O ATOM 866 CB VAL A 57 -0.169 -0.364 -3.836 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.604 -0.842 -3.783 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.711 -1.382 -4.532 1.00 0.58 C ATOM 0 H VAL A 57 -1.205 1.766 -2.958 1.00 0.18 H new ATOM 0 HA VAL A 57 1.034 1.194 -4.675 1.00 0.17 H new ATOM 0 HB VAL A 57 0.165 -0.257 -2.804 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.643 -1.823 -3.310 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.201 -0.136 -3.206 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -2.002 -0.911 -4.795 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.595 -2.353 -4.051 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.420 -1.459 -5.580 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.753 -1.067 -4.467 1.00 0.58 H new ATOM 878 N THR A 58 -0.023 0.856 -6.875 1.00 0.17 N ATOM 879 CA THR A 58 -0.589 0.697 -8.189 1.00 0.24 C ATOM 880 C THR A 58 -0.042 -0.580 -8.824 1.00 0.38 C ATOM 881 O THR A 58 0.853 -0.533 -9.651 1.00 1.11 O ATOM 882 CB THR A 58 -0.313 1.909 -9.097 1.00 0.39 C ATOM 883 OG1 THR A 58 -0.682 3.116 -8.417 1.00 0.83 O ATOM 884 CG2 THR A 58 -1.107 1.799 -10.391 1.00 0.69 C ATOM 0 H THR A 58 0.995 0.798 -6.850 1.00 0.17 H new ATOM 0 HA THR A 58 -1.671 0.625 -8.081 1.00 0.24 H new ATOM 0 HB THR A 58 0.751 1.929 -9.335 1.00 0.39 H new ATOM 0 HG1 THR A 58 -0.504 3.886 -8.997 1.00 0.83 H new ATOM 0 HG21 THR A 58 -0.899 2.665 -11.020 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.819 0.890 -10.918 1.00 0.69 H new ATOM 0 HG23 THR A 58 -2.172 1.764 -10.162 1.00 0.69 H new ATOM 892 N ARG A 59 -0.465 -1.697 -8.245 1.00 0.31 N ATOM 893 CA ARG A 59 -0.415 -3.041 -8.838 1.00 0.26 C ATOM 894 C ARG A 59 -0.228 -4.101 -7.768 1.00 0.26 C ATOM 895 O ARG A 59 -0.383 -3.820 -6.571 1.00 0.27 O ATOM 896 CB ARG A 59 0.673 -3.210 -9.895 1.00 0.26 C ATOM 897 CG ARG A 59 0.171 -2.902 -11.287 1.00 0.34 C ATOM 898 CD ARG A 59 1.071 -3.498 -12.348 1.00 0.45 C ATOM 899 NE ARG A 59 0.985 -4.957 -12.387 1.00 1.06 N ATOM 900 CZ ARG A 59 1.975 -5.754 -12.787 1.00 1.50 C ATOM 901 NH1 ARG A 59 3.177 -5.257 -13.055 1.00 1.52 N ATOM 902 NH2 ARG A 59 1.768 -7.056 -12.899 1.00 2.27 N ATOM 0 H ARG A 59 -0.871 -1.698 -7.309 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.376 -3.167 -9.336 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.511 -2.554 -9.659 1.00 0.26 H new ATOM 0 HB3 ARG A 59 1.051 -4.232 -9.865 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.840 -3.293 -11.405 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.113 -1.822 -11.423 1.00 0.34 H new ATOM 0 HD2 ARG A 59 0.799 -3.093 -13.323 1.00 0.45 H new ATOM 0 HD3 ARG A 59 2.102 -3.201 -12.156 1.00 0.45 H new ATOM 0 HE ARG A 59 0.112 -5.392 -12.089 1.00 1.06 H new ATOM 0 HH11 ARG A 59 3.349 -4.257 -12.955 1.00 1.52 H new ATOM 0 HH12 ARG A 59 3.928 -5.876 -13.361 1.00 1.52 H new ATOM 0 HH21 ARG A 59 0.852 -7.448 -12.679 1.00 2.27 H new ATOM 0 HH22 ARG A 59 2.524 -7.668 -13.205 1.00 2.27 H new ATOM 916 N VAL A 60 -0.001 -5.325 -8.256 1.00 0.26 N ATOM 917 CA VAL A 60 0.522 -6.461 -7.486 1.00 0.27 C ATOM 918 C VAL A 60 1.044 -7.497 -8.485 1.00 0.36 C ATOM 919 O VAL A 60 0.465 -7.665 -9.559 1.00 0.51 O ATOM 920 CB VAL A 60 -0.508 -7.188 -6.571 1.00 0.33 C ATOM 921 CG1 VAL A 60 0.187 -8.316 -5.836 1.00 0.83 C ATOM 922 CG2 VAL A 60 -1.167 -6.269 -5.559 1.00 0.75 C ATOM 0 H VAL A 60 -0.182 -5.561 -9.232 1.00 0.26 H new ATOM 0 HA VAL A 60 1.282 -6.046 -6.824 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.297 -7.565 -7.221 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.530 -8.828 -5.194 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.597 -9.022 -6.558 1.00 0.83 H new ATOM 0 HG13 VAL A 60 0.994 -7.910 -5.227 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.872 -6.839 -4.955 1.00 0.75 H new ATOM 0 HG22 VAL A 60 -0.405 -5.833 -4.913 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.698 -5.473 -6.082 1.00 0.75 H new ATOM 932 N SER A 61 2.132 -8.171 -8.151 1.00 0.45 N ATOM 933 CA SER A 61 2.636 -9.242 -8.987 1.00 0.56 C ATOM 934 C SER A 61 1.971 -10.552 -8.642 1.00 0.56 C ATOM 935 O SER A 61 1.860 -10.934 -7.471 1.00 0.64 O ATOM 936 CB SER A 61 4.136 -9.404 -8.843 1.00 0.72 C ATOM 937 OG SER A 61 4.496 -9.574 -7.482 1.00 1.65 O ATOM 0 H SER A 61 2.680 -7.995 -7.309 1.00 0.45 H new ATOM 0 HA SER A 61 2.406 -8.972 -10.018 1.00 0.56 H new ATOM 0 HB2 SER A 61 4.471 -10.264 -9.422 1.00 0.72 H new ATOM 0 HB3 SER A 61 4.642 -8.529 -9.251 1.00 0.72 H new ATOM 0 HG SER A 61 5.468 -9.678 -7.411 1.00 1.65 H new ATOM 943 N GLU A 62 1.566 -11.234 -9.676 1.00 0.68 N ATOM 944 CA GLU A 62 0.941 -12.521 -9.564 1.00 0.73 C ATOM 945 C GLU A 62 1.942 -13.577 -9.156 1.00 0.74 C ATOM 946 O GLU A 62 2.788 -13.996 -9.947 1.00 0.84 O ATOM 947 CB GLU A 62 0.349 -12.846 -10.904 1.00 0.86 C ATOM 948 CG GLU A 62 -0.934 -12.084 -11.176 1.00 1.45 C ATOM 949 CD GLU A 62 -1.168 -11.852 -12.652 1.00 1.62 C ATOM 950 OE1 GLU A 62 -0.271 -11.311 -13.332 1.00 1.85 O ATOM 951 OE2 GLU A 62 -2.250 -12.230 -13.146 1.00 1.75 O ATOM 0 H GLU A 62 1.663 -10.905 -10.637 1.00 0.68 H new ATOM 0 HA GLU A 62 0.169 -12.501 -8.795 1.00 0.73 H new ATOM 0 HB2 GLU A 62 1.076 -12.616 -11.683 1.00 0.86 H new ATOM 0 HB3 GLU A 62 0.150 -13.916 -10.959 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -1.776 -12.637 -10.760 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -0.898 -11.124 -10.662 1.00 1.45 H new ATOM 958 N GLY A 63 1.859 -13.987 -7.913 1.00 0.76 N ATOM 959 CA GLY A 63 2.725 -15.040 -7.448 1.00 0.86 C ATOM 960 C GLY A 63 3.930 -14.525 -6.681 1.00 0.80 C ATOM 961 O GLY A 63 4.863 -15.279 -6.402 1.00 0.92 O ATOM 0 H GLY A 63 1.213 -13.615 -7.217 1.00 0.76 H new ATOM 0 HA2 GLY A 63 2.156 -15.715 -6.808 1.00 0.86 H new ATOM 0 HA3 GLY A 63 3.068 -15.624 -8.302 1.00 0.86 H new ATOM 965 N GLY A 64 3.931 -13.231 -6.368 1.00 0.67 N ATOM 966 CA GLY A 64 4.991 -12.678 -5.546 1.00 0.66 C ATOM 967 C GLY A 64 4.636 -12.746 -4.090 1.00 0.63 C ATOM 968 O GLY A 64 4.078 -13.729 -3.639 1.00 0.99 O ATOM 0 H GLY A 64 3.222 -12.561 -6.667 1.00 0.67 H new ATOM 0 HA2 GLY A 64 5.917 -13.225 -5.724 1.00 0.66 H new ATOM 0 HA3 GLY A 64 5.174 -11.642 -5.831 1.00 0.66 H new ATOM 972 N PRO A 65 4.957 -11.709 -3.326 1.00 0.37 N ATOM 973 CA PRO A 65 4.634 -11.653 -1.914 1.00 0.27 C ATOM 974 C PRO A 65 3.378 -10.858 -1.584 1.00 0.23 C ATOM 975 O PRO A 65 2.652 -11.175 -0.644 1.00 0.29 O ATOM 976 CB PRO A 65 5.871 -10.977 -1.369 1.00 0.32 C ATOM 977 CG PRO A 65 6.314 -10.021 -2.440 1.00 0.43 C ATOM 978 CD PRO A 65 5.755 -10.543 -3.744 1.00 0.44 C ATOM 0 HA PRO A 65 4.406 -12.634 -1.496 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.653 -10.451 -0.440 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.651 -11.706 -1.147 1.00 0.32 H new ATOM 0 HG2 PRO A 65 5.948 -9.015 -2.237 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.402 -9.962 -2.481 1.00 0.43 H new ATOM 0 HD2 PRO A 65 5.142 -9.795 -4.247 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.547 -10.825 -4.437 1.00 0.44 H new ATOM 986 N ALA A 66 3.118 -9.845 -2.373 1.00 0.22 N ATOM 987 CA ALA A 66 2.027 -8.928 -2.115 1.00 0.24 C ATOM 988 C ALA A 66 0.670 -9.575 -2.381 1.00 0.29 C ATOM 989 O ALA A 66 -0.349 -9.166 -1.829 1.00 0.36 O ATOM 990 CB ALA A 66 2.240 -7.715 -2.974 1.00 0.27 C ATOM 0 H ALA A 66 3.655 -9.630 -3.213 1.00 0.22 H new ATOM 0 HA ALA A 66 2.020 -8.644 -1.063 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.433 -7.002 -2.803 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.193 -7.252 -2.720 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.248 -8.009 -4.023 1.00 0.27 H new ATOM 996 N GLU A 67 0.674 -10.607 -3.205 1.00 0.30 N ATOM 997 CA GLU A 67 -0.530 -11.370 -3.499 1.00 0.42 C ATOM 998 C GLU A 67 -0.892 -12.197 -2.275 1.00 0.39 C ATOM 999 O GLU A 67 -2.059 -12.449 -1.983 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.256 -12.273 -4.706 1.00 0.53 C ATOM 1001 CG GLU A 67 -1.299 -13.352 -4.974 1.00 0.77 C ATOM 1002 CD GLU A 67 -2.617 -12.818 -5.503 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -2.620 -12.183 -6.573 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -3.664 -13.077 -4.866 1.00 1.79 O ATOM 0 H GLU A 67 1.508 -10.941 -3.689 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.364 -10.709 -3.737 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -0.172 -11.646 -5.594 1.00 0.53 H new ATOM 0 HB3 GLU A 67 0.711 -12.755 -4.564 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -0.893 -14.065 -5.692 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -1.485 -13.900 -4.051 1.00 0.77 H new ATOM 1011 N ILE A 68 0.141 -12.579 -1.546 1.00 0.31 N ATOM 1012 CA ILE A 68 -0.007 -13.434 -0.376 1.00 0.31 C ATOM 1013 C ILE A 68 -0.420 -12.611 0.833 1.00 0.28 C ATOM 1014 O ILE A 68 -1.321 -12.994 1.580 1.00 0.34 O ATOM 1015 CB ILE A 68 1.303 -14.204 -0.078 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.561 -15.274 -1.147 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.259 -14.852 1.302 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.633 -14.743 -2.559 1.00 0.51 C ATOM 0 H ILE A 68 1.104 -12.308 -1.745 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.788 -14.164 -0.590 1.00 0.31 H new ATOM 0 HB ILE A 68 2.119 -13.482 -0.096 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.497 -15.783 -0.915 1.00 0.39 H new ATOM 0 HG13 ILE A 68 0.770 -16.022 -1.093 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.192 -15.385 1.483 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.128 -14.081 2.062 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.425 -15.553 1.348 1.00 0.32 H new ATOM 0 HD11 ILE A 68 1.818 -15.567 -3.249 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.690 -14.260 -2.815 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.443 -14.018 -2.634 1.00 0.51 H new ATOM 1030 N ALA A 69 0.229 -11.466 1.005 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.101 -10.560 2.095 1.00 0.24 C ATOM 1032 C ALA A 69 -1.475 -9.950 1.876 1.00 0.31 C ATOM 1033 O ALA A 69 -2.157 -9.578 2.832 1.00 0.41 O ATOM 1034 CB ALA A 69 0.943 -9.468 2.213 1.00 0.24 C ATOM 0 H ALA A 69 0.987 -11.144 0.403 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.114 -11.129 3.024 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.680 -8.800 3.033 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.917 -9.916 2.408 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.984 -8.902 1.283 1.00 0.24 H new ATOM 1040 N GLY A 70 -1.881 -9.865 0.612 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.196 -9.340 0.298 1.00 0.41 C ATOM 1042 C GLY A 70 -3.180 -7.873 -0.083 1.00 0.36 C ATOM 1043 O GLY A 70 -3.662 -7.028 0.668 1.00 0.45 O ATOM 0 H GLY A 70 -1.326 -10.149 -0.195 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.624 -9.917 -0.522 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -3.850 -9.478 1.159 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.630 -7.566 -1.247 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.625 -6.200 -1.749 1.00 0.30 C ATOM 1049 C LEU A 71 -3.497 -6.122 -3.003 1.00 0.24 C ATOM 1050 O LEU A 71 -3.672 -7.129 -3.690 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.188 -5.762 -2.028 1.00 0.38 C ATOM 1052 CG LEU A 71 -0.974 -4.260 -2.163 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.560 -3.522 -0.967 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.508 -3.966 -2.283 1.00 0.87 C ATOM 0 H LEU A 71 -2.181 -8.244 -1.863 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.040 -5.520 -1.005 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.552 -6.131 -1.224 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.852 -6.243 -2.947 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.485 -3.913 -3.061 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.396 -2.451 -1.084 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.630 -3.721 -0.906 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.074 -3.866 -0.054 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.659 -2.891 -2.380 1.00 0.87 H new ATOM 0 HD22 LEU A 71 1.024 -4.326 -1.393 1.00 0.87 H new ATOM 0 HD23 LEU A 71 0.909 -4.469 -3.163 1.00 0.87 H new ATOM 1066 N GLN A 72 -4.057 -4.951 -3.300 1.00 0.24 N ATOM 1067 CA GLN A 72 -5.118 -4.875 -4.302 1.00 0.33 C ATOM 1068 C GLN A 72 -4.843 -3.917 -5.453 1.00 0.25 C ATOM 1069 O GLN A 72 -5.792 -3.387 -6.032 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.407 -4.460 -3.632 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.813 -5.380 -2.512 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.492 -4.627 -1.397 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -6.700 -4.146 -0.474 1.00 1.21 O flip ATOM 1074 NE2 GLN A 72 -8.714 -4.465 -1.368 1.00 0.64 N flip ATOM 0 H GLN A 72 -3.802 -4.061 -2.873 1.00 0.24 H new ATOM 0 HA GLN A 72 -5.181 -5.872 -4.739 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.297 -3.448 -3.241 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -7.203 -4.430 -4.376 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -7.485 -6.148 -2.896 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -5.933 -5.892 -2.123 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -9.298 -4.856 -2.107 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -9.141 -3.940 -0.605 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.576 -3.701 -5.818 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.269 -2.941 -7.017 1.00 0.26 C ATOM 1085 C ILE A 73 -3.552 -1.424 -6.874 1.00 0.23 C ATOM 1086 O ILE A 73 -3.047 -0.632 -7.663 1.00 0.31 O ATOM 1087 CB ILE A 73 -4.046 -3.534 -8.239 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.435 -4.860 -8.712 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -4.093 -2.568 -9.392 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -3.847 -6.064 -7.899 1.00 0.77 C ATOM 0 H ILE A 73 -2.762 -4.039 -5.304 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.196 -3.033 -7.182 1.00 0.26 H new ATOM 0 HB ILE A 73 -5.063 -3.719 -7.893 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -3.718 -5.025 -9.752 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -2.349 -4.775 -8.687 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -4.641 -3.017 -10.221 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -4.594 -1.652 -9.079 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -3.078 -2.334 -9.713 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.369 -6.957 -8.303 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -3.540 -5.925 -6.862 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -4.930 -6.180 -7.944 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.258 -1.007 -5.830 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.815 0.338 -5.812 1.00 0.25 C ATOM 1104 C GLY A 74 -5.238 0.739 -4.424 1.00 0.29 C ATOM 1105 O GLY A 74 -6.399 1.046 -4.171 1.00 0.37 O ATOM 0 H GLY A 74 -4.455 -1.568 -5.001 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -4.075 1.045 -6.187 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.672 0.388 -6.484 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.273 0.763 -3.535 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.544 0.905 -2.112 1.00 0.34 C ATOM 1111 C ASP A 75 -3.814 2.101 -1.578 1.00 0.30 C ATOM 1112 O ASP A 75 -2.774 2.466 -2.104 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.148 -0.335 -1.309 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.133 -1.473 -1.438 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.276 -1.317 -0.958 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -4.770 -2.515 -2.035 1.00 0.89 O ATOM 0 H ASP A 75 -3.283 0.686 -3.769 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.621 1.033 -2.000 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.166 -0.675 -1.640 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.054 -0.063 -0.258 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.326 2.693 -0.523 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.711 3.887 0.008 1.00 0.28 C ATOM 1123 C LYS A 76 -2.938 3.549 1.267 1.00 0.28 C ATOM 1124 O LYS A 76 -3.500 3.429 2.341 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.763 4.965 0.276 1.00 0.34 C ATOM 1126 CG LYS A 76 -5.446 5.470 -0.988 1.00 0.74 C ATOM 1127 CD LYS A 76 -6.749 4.739 -1.285 1.00 1.17 C ATOM 1128 CE LYS A 76 -7.388 5.270 -2.562 1.00 1.55 C ATOM 1129 NZ LYS A 76 -8.800 4.826 -2.730 1.00 2.20 N ATOM 0 H LYS A 76 -5.155 2.373 -0.022 1.00 0.30 H new ATOM 0 HA LYS A 76 -3.014 4.286 -0.729 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.518 4.565 0.953 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.290 5.805 0.785 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -5.648 6.536 -0.886 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -4.768 5.354 -1.834 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -6.557 3.671 -1.386 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -7.439 4.861 -0.450 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -7.353 6.359 -2.554 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -6.803 4.939 -3.420 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -9.309 5.506 -3.330 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -8.818 3.888 -3.178 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -9.261 4.774 -1.799 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.639 3.420 1.117 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.764 3.016 2.193 1.00 0.27 C ATOM 1145 C ILE A 77 -0.567 4.164 3.161 1.00 0.25 C ATOM 1146 O ILE A 77 -0.235 5.289 2.746 1.00 0.29 O ATOM 1147 CB ILE A 77 0.615 2.559 1.668 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.442 1.365 0.732 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.562 2.224 2.816 1.00 0.38 C ATOM 1150 CD1 ILE A 77 0.365 1.752 -0.723 1.00 0.49 C ATOM 0 H ILE A 77 -1.156 3.594 0.236 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.237 2.174 2.699 1.00 0.27 H new ATOM 0 HB ILE A 77 1.064 3.381 1.110 1.00 0.31 H new ATOM 0 HG12 ILE A 77 1.276 0.678 0.874 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.465 0.826 1.006 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.524 1.906 2.413 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.704 3.106 3.440 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.136 1.420 3.416 1.00 0.38 H new ATOM 0 HD11 ILE A 77 0.242 0.856 -1.332 1.00 0.49 H new ATOM 0 HD12 ILE A 77 -0.486 2.416 -0.878 1.00 0.49 H new ATOM 0 HD13 ILE A 77 1.283 2.264 -1.012 1.00 0.49 H new ATOM 1162 N MET A 78 -0.777 3.892 4.439 1.00 0.22 N ATOM 1163 CA MET A 78 -0.636 4.917 5.432 1.00 0.24 C ATOM 1164 C MET A 78 0.534 4.657 6.398 1.00 0.24 C ATOM 1165 O MET A 78 0.744 5.424 7.338 1.00 0.30 O ATOM 1166 CB MET A 78 -1.952 5.135 6.187 1.00 0.33 C ATOM 1167 CG MET A 78 -2.572 3.889 6.791 1.00 0.32 C ATOM 1168 SD MET A 78 -3.179 4.231 8.446 1.00 0.75 S ATOM 1169 CE MET A 78 -1.847 5.290 9.003 1.00 1.06 C ATOM 0 H MET A 78 -1.043 2.976 4.800 1.00 0.22 H new ATOM 0 HA MET A 78 -0.392 5.837 4.901 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.778 5.857 6.985 1.00 0.33 H new ATOM 0 HB3 MET A 78 -2.673 5.584 5.504 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.391 3.541 6.161 1.00 0.32 H new ATOM 0 HG3 MET A 78 -1.834 3.088 6.826 1.00 0.32 H new ATOM 0 HE1 MET A 78 -1.841 5.325 10.092 1.00 1.06 H new ATOM 0 HE2 MET A 78 -0.895 4.895 8.647 1.00 1.06 H new ATOM 0 HE3 MET A 78 -1.993 6.296 8.609 1.00 1.06 H new ATOM 1179 N GLN A 79 1.310 3.601 6.149 1.00 0.23 N ATOM 1180 CA GLN A 79 2.496 3.300 6.963 1.00 0.23 C ATOM 1181 C GLN A 79 3.308 2.160 6.351 1.00 0.24 C ATOM 1182 O GLN A 79 2.757 1.306 5.662 1.00 0.24 O ATOM 1183 CB GLN A 79 2.096 2.949 8.402 1.00 0.26 C ATOM 1184 CG GLN A 79 2.977 1.901 9.056 1.00 0.54 C ATOM 1185 CD GLN A 79 2.665 1.711 10.517 1.00 0.50 C ATOM 1186 OE1 GLN A 79 1.883 0.842 10.898 1.00 0.82 O ATOM 1187 NE2 GLN A 79 3.266 2.544 11.344 1.00 0.43 N ATOM 0 H GLN A 79 1.142 2.939 5.392 1.00 0.23 H new ATOM 0 HA GLN A 79 3.119 4.194 6.982 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.121 3.856 9.005 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.066 2.594 8.404 1.00 0.26 H new ATOM 0 HG2 GLN A 79 2.853 0.951 8.535 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.022 2.191 8.946 1.00 0.54 H new ATOM 0 HE21 GLN A 79 3.907 3.249 10.981 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.090 2.483 12.347 1.00 0.43 H new ATOM 1196 N VAL A 80 4.614 2.149 6.607 1.00 0.28 N ATOM 1197 CA VAL A 80 5.463 1.052 6.163 1.00 0.35 C ATOM 1198 C VAL A 80 6.648 0.844 7.114 1.00 0.31 C ATOM 1199 O VAL A 80 7.325 1.795 7.509 1.00 0.31 O ATOM 1200 CB VAL A 80 5.965 1.246 4.706 1.00 0.52 C ATOM 1201 CG1 VAL A 80 6.967 2.385 4.598 1.00 0.85 C ATOM 1202 CG2 VAL A 80 6.562 -0.044 4.172 1.00 1.31 C ATOM 0 H VAL A 80 5.103 2.884 7.117 1.00 0.28 H new ATOM 0 HA VAL A 80 4.843 0.155 6.179 1.00 0.35 H new ATOM 0 HB VAL A 80 5.102 1.513 4.096 1.00 0.52 H new ATOM 0 HG11 VAL A 80 7.292 2.486 3.563 1.00 0.85 H new ATOM 0 HG12 VAL A 80 6.499 3.314 4.924 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.829 2.172 5.230 1.00 0.85 H new ATOM 0 HG21 VAL A 80 6.908 0.111 3.150 1.00 1.31 H new ATOM 0 HG22 VAL A 80 7.402 -0.343 4.799 1.00 1.31 H new ATOM 0 HG23 VAL A 80 5.804 -0.828 4.183 1.00 1.31 H new ATOM 1212 N ASN A 81 6.841 -0.414 7.508 1.00 0.34 N ATOM 1213 CA ASN A 81 7.958 -0.850 8.351 1.00 0.38 C ATOM 1214 C ASN A 81 8.119 0.001 9.603 1.00 0.34 C ATOM 1215 O ASN A 81 9.231 0.203 10.091 1.00 0.40 O ATOM 1216 CB ASN A 81 9.259 -0.884 7.546 1.00 0.46 C ATOM 1217 CG ASN A 81 9.330 -2.090 6.623 1.00 0.70 C ATOM 1218 OD1 ASN A 81 8.927 -2.032 5.468 1.00 1.50 O ATOM 1219 ND2 ASN A 81 9.821 -3.206 7.141 1.00 1.18 N ATOM 0 H ASN A 81 6.214 -1.175 7.246 1.00 0.34 H new ATOM 0 HA ASN A 81 7.723 -1.860 8.688 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.344 0.029 6.956 1.00 0.46 H new ATOM 0 HB3 ASN A 81 10.108 -0.901 8.230 1.00 0.46 H new ATOM 0 HD21 ASN A 81 9.872 -4.052 6.574 1.00 1.18 H new ATOM 0 HD22 ASN A 81 10.148 -3.219 8.107 1.00 1.18 H new ATOM 1226 N GLY A 82 7.002 0.464 10.143 1.00 0.32 N ATOM 1227 CA GLY A 82 7.041 1.218 11.380 1.00 0.34 C ATOM 1228 C GLY A 82 7.116 2.716 11.165 1.00 0.31 C ATOM 1229 O GLY A 82 7.223 3.478 12.125 1.00 0.38 O ATOM 0 H GLY A 82 6.071 0.332 9.748 1.00 0.32 H new ATOM 0 HA2 GLY A 82 6.153 0.986 11.967 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.903 0.898 11.966 1.00 0.34 H new ATOM 1233 N TRP A 83 7.062 3.147 9.916 1.00 0.28 N ATOM 1234 CA TRP A 83 7.071 4.568 9.613 1.00 0.28 C ATOM 1235 C TRP A 83 5.670 5.032 9.343 1.00 0.29 C ATOM 1236 O TRP A 83 4.787 4.234 9.045 1.00 0.48 O ATOM 1237 CB TRP A 83 7.942 4.895 8.405 1.00 0.30 C ATOM 1238 CG TRP A 83 9.384 4.637 8.630 1.00 0.33 C ATOM 1239 CD1 TRP A 83 10.021 3.458 8.447 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.375 5.571 9.080 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.351 3.588 8.750 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.595 4.874 9.138 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.354 6.923 9.430 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.780 5.479 9.540 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.535 7.525 9.828 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.733 6.802 9.874 1.00 0.76 C ATOM 0 H TRP A 83 7.012 2.537 9.100 1.00 0.28 H new ATOM 0 HA TRP A 83 7.489 5.083 10.478 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.604 4.305 7.553 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.805 5.944 8.141 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.550 2.546 8.111 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.047 2.844 8.695 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.434 7.488 9.391 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.705 4.923 9.586 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.532 8.568 10.107 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.640 7.302 10.180 1.00 0.76 H new ATOM 1257 N ASP A 84 5.480 6.320 9.427 1.00 0.39 N ATOM 1258 CA ASP A 84 4.173 6.901 9.226 1.00 0.41 C ATOM 1259 C ASP A 84 4.148 7.689 7.936 1.00 0.40 C ATOM 1260 O ASP A 84 4.620 8.827 7.875 1.00 0.59 O ATOM 1261 CB ASP A 84 3.816 7.803 10.404 1.00 0.62 C ATOM 1262 CG ASP A 84 2.368 8.282 10.369 1.00 1.16 C ATOM 1263 OD1 ASP A 84 2.050 9.171 9.548 1.00 1.28 O ATOM 1264 OD2 ASP A 84 1.537 7.753 11.144 1.00 1.89 O ATOM 0 H ASP A 84 6.216 6.995 9.635 1.00 0.39 H new ATOM 0 HA ASP A 84 3.436 6.101 9.161 1.00 0.41 H new ATOM 0 HB2 ASP A 84 3.992 7.263 11.334 1.00 0.62 H new ATOM 0 HB3 ASP A 84 4.479 8.668 10.407 1.00 0.62 H new ATOM 1269 N MET A 85 3.647 7.068 6.887 1.00 0.36 N ATOM 1270 CA MET A 85 3.466 7.769 5.642 1.00 0.46 C ATOM 1271 C MET A 85 2.000 8.021 5.409 1.00 0.36 C ATOM 1272 O MET A 85 1.262 7.173 4.921 1.00 0.56 O ATOM 1273 CB MET A 85 4.085 7.022 4.453 1.00 0.76 C ATOM 1274 CG MET A 85 4.178 5.513 4.614 1.00 0.49 C ATOM 1275 SD MET A 85 5.429 5.036 5.823 1.00 1.01 S ATOM 1276 CE MET A 85 6.854 5.943 5.223 1.00 0.44 C ATOM 0 H MET A 85 3.362 6.089 6.876 1.00 0.36 H new ATOM 0 HA MET A 85 3.991 8.721 5.719 1.00 0.46 H new ATOM 0 HB2 MET A 85 3.497 7.241 3.561 1.00 0.76 H new ATOM 0 HB3 MET A 85 5.087 7.415 4.279 1.00 0.76 H new ATOM 0 HG2 MET A 85 3.209 5.121 4.922 1.00 0.49 H new ATOM 0 HG3 MET A 85 4.414 5.060 3.651 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.766 5.425 5.520 1.00 0.44 H new ATOM 0 HE2 MET A 85 6.812 6.009 4.136 1.00 0.44 H new ATOM 0 HE3 MET A 85 6.852 6.947 5.648 1.00 0.44 H new ATOM 1286 N THR A 86 1.607 9.218 5.749 1.00 0.31 N ATOM 1287 CA THR A 86 0.269 9.700 5.512 1.00 0.35 C ATOM 1288 C THR A 86 0.348 10.791 4.473 1.00 0.46 C ATOM 1289 O THR A 86 -0.648 11.268 3.938 1.00 1.05 O ATOM 1290 CB THR A 86 -0.306 10.275 6.808 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.755 10.858 7.583 1.00 0.47 O ATOM 1292 CG2 THR A 86 -0.996 9.209 7.622 1.00 0.37 C ATOM 0 H THR A 86 2.215 9.898 6.206 1.00 0.31 H new ATOM 0 HA THR A 86 -0.373 8.888 5.169 1.00 0.35 H new ATOM 0 HB THR A 86 -1.043 11.035 6.548 1.00 0.36 H new ATOM 0 HG1 THR A 86 1.118 10.187 8.197 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.394 9.650 8.536 1.00 0.37 H new ATOM 0 HG22 THR A 86 -1.812 8.779 7.041 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.281 8.427 7.877 1.00 0.37 H new ATOM 1300 N MET A 87 1.592 11.168 4.227 1.00 0.56 N ATOM 1301 CA MET A 87 1.939 12.319 3.417 1.00 0.65 C ATOM 1302 C MET A 87 3.283 12.058 2.735 1.00 0.76 C ATOM 1303 O MET A 87 3.456 12.350 1.567 1.00 1.49 O ATOM 1304 CB MET A 87 2.064 13.567 4.302 1.00 0.84 C ATOM 1305 CG MET A 87 1.354 13.462 5.650 1.00 0.97 C ATOM 1306 SD MET A 87 1.709 14.862 6.730 1.00 1.36 S ATOM 1307 CE MET A 87 0.783 14.403 8.193 1.00 1.62 C ATOM 0 H MET A 87 2.404 10.671 4.593 1.00 0.56 H new ATOM 0 HA MET A 87 1.160 12.483 2.672 1.00 0.65 H new ATOM 0 HB2 MET A 87 3.121 13.768 4.477 1.00 0.84 H new ATOM 0 HB3 MET A 87 1.662 14.423 3.760 1.00 0.84 H new ATOM 0 HG2 MET A 87 0.278 13.398 5.486 1.00 0.97 H new ATOM 0 HG3 MET A 87 1.657 12.539 6.145 1.00 0.97 H new ATOM 0 HE1 MET A 87 0.903 15.172 8.956 1.00 1.62 H new ATOM 0 HE2 MET A 87 -0.273 14.305 7.939 1.00 1.62 H new ATOM 0 HE3 MET A 87 1.155 13.452 8.575 1.00 1.62 H new ATOM 1317 N VAL A 88 4.205 11.487 3.521 1.00 0.40 N ATOM 1318 CA VAL A 88 5.593 11.165 3.144 1.00 0.45 C ATOM 1319 C VAL A 88 5.858 11.006 1.623 1.00 0.36 C ATOM 1320 O VAL A 88 5.036 10.489 0.880 1.00 0.39 O ATOM 1321 CB VAL A 88 5.978 9.881 3.919 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.764 8.911 3.076 1.00 0.72 C ATOM 1323 CG2 VAL A 88 6.749 10.234 5.184 1.00 1.09 C ATOM 0 H VAL A 88 3.996 11.223 4.484 1.00 0.40 H new ATOM 0 HA VAL A 88 6.217 12.018 3.411 1.00 0.45 H new ATOM 0 HB VAL A 88 5.048 9.383 4.193 1.00 0.60 H new ATOM 0 HG11 VAL A 88 7.008 8.029 3.668 1.00 0.72 H new ATOM 0 HG12 VAL A 88 6.169 8.615 2.212 1.00 0.72 H new ATOM 0 HG13 VAL A 88 7.685 9.386 2.737 1.00 0.72 H new ATOM 0 HG21 VAL A 88 7.012 9.320 5.717 1.00 1.09 H new ATOM 0 HG22 VAL A 88 7.658 10.773 4.917 1.00 1.09 H new ATOM 0 HG23 VAL A 88 6.130 10.862 5.824 1.00 1.09 H new ATOM 1333 N THR A 89 7.022 11.483 1.168 1.00 0.31 N ATOM 1334 CA THR A 89 7.415 11.400 -0.223 1.00 0.28 C ATOM 1335 C THR A 89 7.450 9.956 -0.737 1.00 0.26 C ATOM 1336 O THR A 89 7.642 9.011 0.034 1.00 0.26 O ATOM 1337 CB THR A 89 8.796 12.070 -0.419 1.00 0.31 C ATOM 1338 OG1 THR A 89 9.811 11.341 0.266 1.00 0.32 O ATOM 1339 CG2 THR A 89 8.773 13.499 0.099 1.00 0.35 C ATOM 0 H THR A 89 7.713 11.937 1.765 1.00 0.31 H new ATOM 0 HA THR A 89 6.661 11.929 -0.807 1.00 0.28 H new ATOM 0 HB THR A 89 9.016 12.075 -1.487 1.00 0.31 H new ATOM 0 HG1 THR A 89 10.677 11.779 0.129 1.00 0.32 H new ATOM 0 HG21 THR A 89 9.752 13.955 -0.047 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.022 14.071 -0.445 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.528 13.497 1.161 1.00 0.35 H new ATOM 1347 N HIS A 90 7.268 9.798 -2.049 1.00 0.26 N ATOM 1348 CA HIS A 90 7.248 8.479 -2.683 1.00 0.25 C ATOM 1349 C HIS A 90 8.515 7.729 -2.386 1.00 0.27 C ATOM 1350 O HIS A 90 8.489 6.549 -2.052 1.00 0.30 O ATOM 1351 CB HIS A 90 7.089 8.620 -4.193 1.00 0.25 C ATOM 1352 CG HIS A 90 7.029 7.318 -4.949 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.300 7.225 -6.295 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.720 6.055 -4.549 1.00 0.27 C ATOM 1355 CE1 HIS A 90 7.158 5.977 -6.688 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.810 5.245 -5.650 1.00 0.32 N ATOM 0 H HIS A 90 7.131 10.574 -2.697 1.00 0.26 H new ATOM 0 HA HIS A 90 6.402 7.923 -2.279 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.179 9.184 -4.397 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.922 9.209 -4.578 1.00 0.25 H new ATOM 0 HD1 HIS A 90 7.570 8.004 -6.896 1.00 0.32 H new ATOM 0 HD2 HIS A 90 6.453 5.748 -3.549 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.303 5.614 -7.695 1.00 0.35 H new ATOM 1365 N ASP A 91 9.614 8.428 -2.501 1.00 0.31 N ATOM 1366 CA ASP A 91 10.918 7.809 -2.290 1.00 0.34 C ATOM 1367 C ASP A 91 11.111 7.495 -0.838 1.00 0.32 C ATOM 1368 O ASP A 91 11.771 6.518 -0.500 1.00 0.33 O ATOM 1369 CB ASP A 91 12.077 8.675 -2.762 1.00 0.41 C ATOM 1370 CG ASP A 91 12.441 8.411 -4.206 1.00 1.03 C ATOM 1371 OD1 ASP A 91 13.229 7.469 -4.456 1.00 1.67 O ATOM 1372 OD2 ASP A 91 11.944 9.130 -5.091 1.00 1.45 O ATOM 0 H ASP A 91 9.644 9.420 -2.737 1.00 0.31 H new ATOM 0 HA ASP A 91 10.922 6.898 -2.888 1.00 0.34 H new ATOM 0 HB2 ASP A 91 11.814 9.726 -2.642 1.00 0.41 H new ATOM 0 HB3 ASP A 91 12.946 8.490 -2.131 1.00 0.41 H new ATOM 1377 N GLN A 92 10.528 8.313 0.024 1.00 0.31 N ATOM 1378 CA GLN A 92 10.685 8.102 1.431 1.00 0.32 C ATOM 1379 C GLN A 92 10.044 6.783 1.800 1.00 0.29 C ATOM 1380 O GLN A 92 10.673 5.927 2.413 1.00 0.31 O ATOM 1381 CB GLN A 92 10.050 9.233 2.212 1.00 0.36 C ATOM 1382 CG GLN A 92 9.846 8.897 3.662 1.00 0.42 C ATOM 1383 CD GLN A 92 11.021 9.269 4.524 1.00 0.57 C ATOM 1384 OE1 GLN A 92 11.954 8.483 4.715 1.00 0.77 O ATOM 1385 NE2 GLN A 92 10.971 10.469 5.062 1.00 0.62 N ATOM 0 H GLN A 92 9.952 9.115 -0.233 1.00 0.31 H new ATOM 0 HA GLN A 92 11.746 8.077 1.679 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.679 10.120 2.134 1.00 0.36 H new ATOM 0 HB3 GLN A 92 9.089 9.484 1.763 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.958 9.412 4.027 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.656 7.828 3.758 1.00 0.42 H new ATOM 0 HE21 GLN A 92 10.177 11.080 4.872 1.00 0.62 H new ATOM 0 HE22 GLN A 92 11.726 10.788 5.669 1.00 0.62 H new ATOM 1394 N ALA A 93 8.808 6.599 1.354 1.00 0.27 N ATOM 1395 CA ALA A 93 8.064 5.399 1.687 1.00 0.28 C ATOM 1396 C ALA A 93 8.589 4.210 0.898 1.00 0.28 C ATOM 1397 O ALA A 93 8.605 3.085 1.391 1.00 0.33 O ATOM 1398 CB ALA A 93 6.580 5.606 1.436 1.00 0.33 C ATOM 0 H ALA A 93 8.305 7.263 0.765 1.00 0.27 H new ATOM 0 HA ALA A 93 8.202 5.188 2.748 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.037 4.696 1.691 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.218 6.429 2.052 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.418 5.842 0.384 1.00 0.33 H new ATOM 1404 N ARG A 94 9.048 4.476 -0.321 1.00 0.27 N ATOM 1405 CA ARG A 94 9.624 3.441 -1.167 1.00 0.30 C ATOM 1406 C ARG A 94 10.891 2.896 -0.531 1.00 0.33 C ATOM 1407 O ARG A 94 11.104 1.685 -0.471 1.00 0.37 O ATOM 1408 CB ARG A 94 9.952 3.998 -2.554 1.00 0.34 C ATOM 1409 CG ARG A 94 10.266 2.923 -3.578 1.00 0.43 C ATOM 1410 CD ARG A 94 10.278 3.467 -5.001 1.00 0.57 C ATOM 1411 NE ARG A 94 11.226 4.568 -5.194 1.00 1.04 N ATOM 1412 CZ ARG A 94 11.616 4.995 -6.399 1.00 1.41 C ATOM 1413 NH1 ARG A 94 11.229 4.345 -7.489 1.00 1.57 N ATOM 1414 NH2 ARG A 94 12.412 6.053 -6.514 1.00 2.10 N ATOM 0 H ARG A 94 9.031 5.404 -0.745 1.00 0.27 H new ATOM 0 HA ARG A 94 8.893 2.639 -1.272 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.108 4.591 -2.908 1.00 0.34 H new ATOM 0 HB3 ARG A 94 10.804 4.673 -2.474 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.236 2.481 -3.352 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.527 2.125 -3.502 1.00 0.43 H new ATOM 0 HD2 ARG A 94 10.526 2.659 -5.689 1.00 0.57 H new ATOM 0 HD3 ARG A 94 9.276 3.810 -5.260 1.00 0.57 H new ATOM 0 HE ARG A 94 11.607 5.031 -4.369 1.00 1.04 H new ATOM 0 HH11 ARG A 94 10.634 3.520 -7.407 1.00 1.57 H new ATOM 0 HH12 ARG A 94 11.526 4.670 -8.409 1.00 1.57 H new ATOM 0 HH21 ARG A 94 12.730 6.545 -5.679 1.00 2.10 H new ATOM 0 HH22 ARG A 94 12.705 6.373 -7.437 1.00 2.10 H new ATOM 1428 N LYS A 95 11.722 3.803 -0.037 1.00 0.33 N ATOM 1429 CA LYS A 95 12.974 3.432 0.568 1.00 0.40 C ATOM 1430 C LYS A 95 12.708 2.667 1.857 1.00 0.42 C ATOM 1431 O LYS A 95 13.416 1.718 2.192 1.00 0.46 O ATOM 1432 CB LYS A 95 13.799 4.697 0.827 1.00 0.46 C ATOM 1433 CG LYS A 95 15.183 4.462 1.405 1.00 0.64 C ATOM 1434 CD LYS A 95 15.131 4.214 2.914 1.00 0.56 C ATOM 1435 CE LYS A 95 16.110 3.132 3.361 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.528 3.563 3.230 1.00 0.96 N ATOM 0 H LYS A 95 11.541 4.807 -0.048 1.00 0.33 H new ATOM 0 HA LYS A 95 13.541 2.782 -0.098 1.00 0.40 H new ATOM 0 HB2 LYS A 95 13.903 5.242 -0.111 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.243 5.340 1.509 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.643 3.606 0.911 1.00 0.64 H new ATOM 0 HG3 LYS A 95 15.815 5.326 1.200 1.00 0.64 H new ATOM 0 HD2 LYS A 95 15.355 5.142 3.440 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.119 3.924 3.197 1.00 0.56 H new ATOM 0 HE2 LYS A 95 15.907 2.868 4.399 1.00 0.60 H new ATOM 0 HE3 LYS A 95 15.950 2.232 2.767 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.155 2.795 3.545 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.731 3.790 2.236 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.690 4.406 3.817 1.00 0.96 H new ATOM 1450 N ARG A 96 11.666 3.073 2.569 1.00 0.45 N ATOM 1451 CA ARG A 96 11.352 2.468 3.850 1.00 0.51 C ATOM 1452 C ARG A 96 10.821 1.046 3.674 1.00 0.57 C ATOM 1453 O ARG A 96 10.907 0.239 4.596 1.00 0.72 O ATOM 1454 CB ARG A 96 10.368 3.325 4.661 1.00 0.55 C ATOM 1455 CG ARG A 96 10.888 4.720 4.977 1.00 0.59 C ATOM 1456 CD ARG A 96 12.278 4.675 5.588 1.00 0.72 C ATOM 1457 NE ARG A 96 12.898 5.999 5.649 1.00 1.98 N ATOM 1458 CZ ARG A 96 14.074 6.243 6.227 1.00 2.35 C ATOM 1459 NH1 ARG A 96 14.736 5.262 6.834 1.00 1.58 N ATOM 1460 NH2 ARG A 96 14.577 7.470 6.213 1.00 3.57 N ATOM 0 H ARG A 96 11.028 3.815 2.281 1.00 0.45 H new ATOM 0 HA ARG A 96 12.282 2.415 4.416 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.434 3.412 4.107 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.138 2.812 5.595 1.00 0.55 H new ATOM 0 HG2 ARG A 96 10.910 5.316 4.064 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.204 5.217 5.665 1.00 0.59 H new ATOM 0 HD2 ARG A 96 12.218 4.257 6.593 1.00 0.72 H new ATOM 0 HD3 ARG A 96 12.909 4.007 5.002 1.00 0.72 H new ATOM 0 HE ARG A 96 12.401 6.782 5.224 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.344 4.321 6.858 1.00 1.58 H new ATOM 0 HH12 ARG A 96 15.636 5.451 7.276 1.00 1.58 H new ATOM 0 HH21 ARG A 96 14.064 8.226 5.760 1.00 3.57 H new ATOM 0 HH22 ARG A 96 15.477 7.657 6.655 1.00 3.57 H new ATOM 1474 N LEU A 97 10.268 0.745 2.502 1.00 0.52 N ATOM 1475 CA LEU A 97 9.789 -0.606 2.222 1.00 0.57 C ATOM 1476 C LEU A 97 10.861 -1.427 1.501 1.00 0.64 C ATOM 1477 O LEU A 97 10.777 -2.653 1.446 1.00 0.96 O ATOM 1478 CB LEU A 97 8.487 -0.568 1.399 1.00 0.70 C ATOM 1479 CG LEU A 97 8.613 -0.153 -0.074 1.00 0.88 C ATOM 1480 CD1 LEU A 97 8.879 -1.364 -0.959 1.00 1.45 C ATOM 1481 CD2 LEU A 97 7.354 0.565 -0.531 1.00 1.65 C ATOM 0 H LEU A 97 10.141 1.410 1.739 1.00 0.52 H new ATOM 0 HA LEU A 97 9.574 -1.090 3.175 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.032 -1.558 1.436 1.00 0.70 H new ATOM 0 HB3 LEU A 97 7.796 0.118 1.888 1.00 0.70 H new ATOM 0 HG LEU A 97 9.459 0.528 -0.163 1.00 0.88 H new ATOM 0 HD11 LEU A 97 8.964 -1.044 -1.997 1.00 1.45 H new ATOM 0 HD12 LEU A 97 9.808 -1.844 -0.650 1.00 1.45 H new ATOM 0 HD13 LEU A 97 8.056 -2.072 -0.864 1.00 1.45 H new ATOM 0 HD21 LEU A 97 7.459 0.853 -1.577 1.00 1.65 H new ATOM 0 HD22 LEU A 97 6.496 -0.099 -0.421 1.00 1.65 H new ATOM 0 HD23 LEU A 97 7.203 1.457 0.077 1.00 1.65 H new ATOM 1493 N THR A 98 11.882 -0.759 0.973 1.00 0.54 N ATOM 1494 CA THR A 98 12.901 -1.446 0.196 1.00 0.65 C ATOM 1495 C THR A 98 14.227 -1.453 0.930 1.00 0.74 C ATOM 1496 O THR A 98 15.049 -0.546 0.796 1.00 1.53 O ATOM 1497 CB THR A 98 13.109 -0.841 -1.203 1.00 0.92 C ATOM 1498 OG1 THR A 98 11.844 -0.621 -1.837 1.00 1.15 O ATOM 1499 CG2 THR A 98 13.954 -1.776 -2.061 1.00 1.12 C ATOM 0 H THR A 98 12.023 0.247 1.069 1.00 0.54 H new ATOM 0 HA THR A 98 12.535 -2.465 0.067 1.00 0.65 H new ATOM 0 HB THR A 98 13.628 0.112 -1.096 1.00 0.92 H new ATOM 0 HG1 THR A 98 11.425 0.182 -1.462 1.00 1.15 H new ATOM 0 HG21 THR A 98 14.094 -1.337 -3.049 1.00 1.12 H new ATOM 0 HG22 THR A 98 14.925 -1.925 -1.589 1.00 1.12 H new ATOM 0 HG23 THR A 98 13.448 -2.736 -2.160 1.00 1.12 H new ATOM 1507 N LYS A 99 14.402 -2.479 1.724 1.00 0.79 N ATOM 1508 CA LYS A 99 15.601 -2.681 2.491 1.00 1.12 C ATOM 1509 C LYS A 99 16.015 -4.137 2.411 1.00 1.36 C ATOM 1510 O LYS A 99 15.401 -4.997 3.044 1.00 2.28 O ATOM 1511 CB LYS A 99 15.322 -2.285 3.925 1.00 1.29 C ATOM 1512 CG LYS A 99 15.790 -0.901 4.288 1.00 1.18 C ATOM 1513 CD LYS A 99 15.139 -0.460 5.582 1.00 1.56 C ATOM 1514 CE LYS A 99 13.630 -0.456 5.430 1.00 1.98 C ATOM 1515 NZ LYS A 99 12.923 -0.412 6.737 1.00 2.72 N ATOM 0 H LYS A 99 13.702 -3.209 1.856 1.00 0.79 H new ATOM 0 HA LYS A 99 16.414 -2.072 2.097 1.00 1.12 H new ATOM 0 HB2 LYS A 99 14.249 -2.352 4.106 1.00 1.29 H new ATOM 0 HB3 LYS A 99 15.803 -3.004 4.588 1.00 1.29 H new ATOM 0 HG2 LYS A 99 16.875 -0.891 4.394 1.00 1.18 H new ATOM 0 HG3 LYS A 99 15.541 -0.202 3.489 1.00 1.18 H new ATOM 0 HD2 LYS A 99 15.429 -1.130 6.391 1.00 1.56 H new ATOM 0 HD3 LYS A 99 15.488 0.537 5.853 1.00 1.56 H new ATOM 0 HE2 LYS A 99 13.331 0.404 4.831 1.00 1.98 H new ATOM 0 HE3 LYS A 99 13.321 -1.348 4.884 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 11.960 -0.043 6.599 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 12.872 -1.371 7.137 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 13.441 0.209 7.391 1.00 2.72 H new ATOM 1529 N ARG A 100 17.039 -4.420 1.615 1.00 1.04 N ATOM 1530 CA ARG A 100 17.493 -5.791 1.430 1.00 1.17 C ATOM 1531 C ARG A 100 18.293 -6.276 2.646 1.00 1.12 C ATOM 1532 O ARG A 100 19.422 -6.749 2.525 1.00 1.39 O ATOM 1533 CB ARG A 100 18.308 -5.933 0.134 1.00 1.55 C ATOM 1534 CG ARG A 100 19.517 -5.012 0.024 1.00 2.10 C ATOM 1535 CD ARG A 100 20.266 -5.252 -1.281 1.00 2.50 C ATOM 1536 NE ARG A 100 21.445 -4.396 -1.414 1.00 3.10 N ATOM 1537 CZ ARG A 100 22.216 -4.335 -2.503 1.00 3.59 C ATOM 1538 NH1 ARG A 100 21.956 -5.097 -3.561 1.00 3.60 N ATOM 1539 NH2 ARG A 100 23.250 -3.505 -2.520 1.00 4.38 N ATOM 0 H ARG A 100 17.567 -3.723 1.091 1.00 1.04 H new ATOM 0 HA ARG A 100 16.612 -6.426 1.339 1.00 1.17 H new ATOM 0 HB2 ARG A 100 18.648 -6.965 0.049 1.00 1.55 H new ATOM 0 HB3 ARG A 100 17.649 -5.744 -0.713 1.00 1.55 H new ATOM 0 HG2 ARG A 100 19.193 -3.972 0.076 1.00 2.10 H new ATOM 0 HG3 ARG A 100 20.186 -5.181 0.868 1.00 2.10 H new ATOM 0 HD2 ARG A 100 20.571 -6.297 -1.334 1.00 2.50 H new ATOM 0 HD3 ARG A 100 19.594 -5.073 -2.120 1.00 2.50 H new ATOM 0 HE ARG A 100 21.695 -3.805 -0.621 1.00 3.10 H new ATOM 0 HH11 ARG A 100 21.161 -5.736 -3.546 1.00 3.60 H new ATOM 0 HH12 ARG A 100 22.551 -5.042 -4.387 1.00 3.60 H new ATOM 0 HH21 ARG A 100 23.449 -2.922 -1.707 1.00 4.38 H new ATOM 0 HH22 ARG A 100 23.846 -3.450 -3.346 1.00 4.38 H new ATOM 1553 N SER A 101 17.684 -6.151 3.818 1.00 1.05 N ATOM 1554 CA SER A 101 18.307 -6.569 5.064 1.00 1.37 C ATOM 1555 C SER A 101 17.272 -7.232 5.976 1.00 1.22 C ATOM 1556 O SER A 101 17.475 -8.349 6.449 1.00 1.64 O ATOM 1557 CB SER A 101 18.943 -5.357 5.760 1.00 1.90 C ATOM 1558 OG SER A 101 19.700 -5.736 6.895 1.00 2.51 O ATOM 0 H SER A 101 16.749 -5.759 3.930 1.00 1.05 H new ATOM 0 HA SER A 101 19.088 -7.297 4.846 1.00 1.37 H new ATOM 0 HB2 SER A 101 19.585 -4.830 5.055 1.00 1.90 H new ATOM 0 HB3 SER A 101 18.161 -4.660 6.062 1.00 1.90 H new ATOM 0 HG SER A 101 20.090 -4.938 7.309 1.00 2.51 H new ATOM 1564 N GLU A 102 16.148 -6.552 6.192 1.00 1.06 N ATOM 1565 CA GLU A 102 15.112 -7.055 7.091 1.00 1.19 C ATOM 1566 C GLU A 102 14.423 -8.289 6.509 1.00 0.93 C ATOM 1567 O GLU A 102 14.339 -8.449 5.293 1.00 1.34 O ATOM 1568 CB GLU A 102 14.085 -5.955 7.390 1.00 1.63 C ATOM 1569 CG GLU A 102 14.671 -4.751 8.113 1.00 2.12 C ATOM 1570 CD GLU A 102 13.604 -3.786 8.580 1.00 2.70 C ATOM 1571 OE1 GLU A 102 12.863 -4.117 9.532 1.00 3.40 O ATOM 1572 OE2 GLU A 102 13.502 -2.687 7.995 1.00 2.95 O ATOM 0 H GLU A 102 15.932 -5.654 5.758 1.00 1.06 H new ATOM 0 HA GLU A 102 15.591 -7.351 8.024 1.00 1.19 H new ATOM 0 HB2 GLU A 102 13.638 -5.623 6.453 1.00 1.63 H new ATOM 0 HB3 GLU A 102 13.281 -6.375 7.995 1.00 1.63 H new ATOM 0 HG2 GLU A 102 15.250 -5.092 8.971 1.00 2.12 H new ATOM 0 HG3 GLU A 102 15.362 -4.232 7.448 1.00 2.12 H new ATOM 1579 N GLU A 103 13.941 -9.162 7.390 1.00 0.74 N ATOM 1580 CA GLU A 103 13.369 -10.449 6.983 1.00 0.68 C ATOM 1581 C GLU A 103 11.891 -10.346 6.593 1.00 0.54 C ATOM 1582 O GLU A 103 11.351 -11.248 5.953 1.00 0.61 O ATOM 1583 CB GLU A 103 13.519 -11.474 8.114 1.00 0.95 C ATOM 1584 CG GLU A 103 12.852 -11.046 9.414 1.00 1.37 C ATOM 1585 CD GLU A 103 12.869 -12.130 10.469 1.00 2.16 C ATOM 1586 OE1 GLU A 103 13.940 -12.362 11.074 1.00 2.58 O ATOM 1587 OE2 GLU A 103 11.817 -12.751 10.706 1.00 2.68 O ATOM 0 H GLU A 103 13.934 -9.003 8.397 1.00 0.74 H new ATOM 0 HA GLU A 103 13.922 -10.770 6.100 1.00 0.68 H new ATOM 0 HB2 GLU A 103 13.092 -12.424 7.792 1.00 0.95 H new ATOM 0 HB3 GLU A 103 14.579 -11.647 8.299 1.00 0.95 H new ATOM 0 HG2 GLU A 103 13.357 -10.161 9.801 1.00 1.37 H new ATOM 0 HG3 GLU A 103 11.820 -10.761 9.210 1.00 1.37 H new ATOM 1594 N VAL A 104 11.245 -9.251 6.956 1.00 0.40 N ATOM 1595 CA VAL A 104 9.807 -9.124 6.774 1.00 0.33 C ATOM 1596 C VAL A 104 9.433 -7.670 6.530 1.00 0.29 C ATOM 1597 O VAL A 104 10.101 -6.755 7.016 1.00 0.34 O ATOM 1598 CB VAL A 104 9.033 -9.701 7.991 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.496 -9.062 9.288 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.526 -9.538 7.828 1.00 0.37 C ATOM 0 H VAL A 104 11.692 -8.437 7.378 1.00 0.40 H new ATOM 0 HA VAL A 104 9.521 -9.706 5.898 1.00 0.33 H new ATOM 0 HB VAL A 104 9.253 -10.768 8.034 1.00 0.38 H new ATOM 0 HG11 VAL A 104 8.937 -9.485 10.122 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.560 -9.255 9.429 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.325 -7.986 9.245 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.019 -9.953 8.699 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.282 -8.480 7.737 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.198 -10.064 6.932 1.00 0.37 H new ATOM 1610 N VAL A 105 8.378 -7.460 5.766 1.00 0.28 N ATOM 1611 CA VAL A 105 7.997 -6.134 5.349 1.00 0.28 C ATOM 1612 C VAL A 105 6.608 -5.788 5.811 1.00 0.26 C ATOM 1613 O VAL A 105 5.629 -6.458 5.486 1.00 0.26 O ATOM 1614 CB VAL A 105 8.103 -5.970 3.837 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.422 -4.694 3.389 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.560 -5.960 3.466 1.00 0.46 C ATOM 0 H VAL A 105 7.768 -8.201 5.422 1.00 0.28 H new ATOM 0 HA VAL A 105 8.697 -5.443 5.818 1.00 0.28 H new ATOM 0 HB VAL A 105 7.601 -6.798 3.336 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.509 -4.596 2.307 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.369 -4.727 3.667 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.898 -3.839 3.870 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.660 -5.843 2.387 1.00 0.46 H new ATOM 0 HG22 VAL A 105 10.058 -5.130 3.968 1.00 0.46 H new ATOM 0 HG23 VAL A 105 10.020 -6.899 3.774 1.00 0.46 H new ATOM 1626 N ARG A 106 6.565 -4.757 6.611 1.00 0.29 N ATOM 1627 CA ARG A 106 5.362 -4.318 7.247 1.00 0.28 C ATOM 1628 C ARG A 106 4.770 -3.148 6.501 1.00 0.26 C ATOM 1629 O ARG A 106 5.442 -2.160 6.264 1.00 0.32 O ATOM 1630 CB ARG A 106 5.689 -3.945 8.672 1.00 0.35 C ATOM 1631 CG ARG A 106 6.206 -5.117 9.484 1.00 0.43 C ATOM 1632 CD ARG A 106 7.657 -5.474 9.145 1.00 0.54 C ATOM 1633 NE ARG A 106 8.420 -5.837 10.340 1.00 0.81 N ATOM 1634 CZ ARG A 106 9.727 -5.616 10.487 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.440 -5.160 9.466 1.00 1.76 N ATOM 1636 NH2 ARG A 106 10.324 -5.886 11.641 1.00 1.46 N ATOM 0 H ARG A 106 7.382 -4.191 6.840 1.00 0.29 H new ATOM 0 HA ARG A 106 4.620 -5.116 7.241 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.436 -3.151 8.672 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.796 -3.543 9.151 1.00 0.35 H new ATOM 0 HG2 ARG A 106 6.133 -4.880 10.545 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.571 -5.985 9.307 1.00 0.43 H new ATOM 0 HD2 ARG A 106 7.672 -6.304 8.438 1.00 0.54 H new ATOM 0 HD3 ARG A 106 8.134 -4.627 8.652 1.00 0.54 H new ATOM 0 HE ARG A 106 7.921 -6.287 11.108 1.00 0.81 H new ATOM 0 HH11 ARG A 106 9.989 -4.979 8.569 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.440 -4.991 9.577 1.00 1.76 H new ATOM 0 HH21 ARG A 106 9.783 -6.264 12.419 1.00 1.46 H new ATOM 0 HH22 ARG A 106 11.324 -5.716 11.750 1.00 1.46 H new ATOM 1650 N LEU A 107 3.534 -3.270 6.115 1.00 0.24 N ATOM 1651 CA LEU A 107 2.864 -2.199 5.395 1.00 0.24 C ATOM 1652 C LEU A 107 1.481 -1.955 5.982 1.00 0.21 C ATOM 1653 O LEU A 107 0.702 -2.890 6.143 1.00 0.28 O ATOM 1654 CB LEU A 107 2.799 -2.552 3.900 1.00 0.37 C ATOM 1655 CG LEU A 107 2.203 -1.488 2.972 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.864 -1.554 1.605 1.00 0.98 C ATOM 1657 CD2 LEU A 107 0.704 -1.687 2.822 1.00 1.12 C ATOM 0 H LEU A 107 2.959 -4.096 6.281 1.00 0.24 H new ATOM 0 HA LEU A 107 3.428 -1.272 5.500 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.809 -2.776 3.558 1.00 0.37 H new ATOM 0 HB3 LEU A 107 2.216 -3.466 3.790 1.00 0.37 H new ATOM 0 HG LEU A 107 2.386 -0.509 3.414 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.432 -0.793 0.955 1.00 0.98 H new ATOM 0 HD12 LEU A 107 3.934 -1.377 1.709 1.00 0.98 H new ATOM 0 HD13 LEU A 107 2.700 -2.539 1.169 1.00 0.98 H new ATOM 0 HD21 LEU A 107 0.300 -0.922 2.159 1.00 1.12 H new ATOM 0 HD22 LEU A 107 0.508 -2.673 2.400 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.227 -1.610 3.799 1.00 1.12 H new ATOM 1669 N LEU A 108 1.169 -0.716 6.319 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.169 -0.402 6.773 1.00 0.15 C ATOM 1671 C LEU A 108 -0.898 0.230 5.618 1.00 0.15 C ATOM 1672 O LEU A 108 -0.541 1.315 5.173 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.161 0.561 7.960 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.351 0.425 8.905 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -1.311 -0.913 9.634 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -1.377 1.581 9.891 1.00 0.26 C ATOM 0 H LEU A 108 1.813 0.075 6.287 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.658 -1.317 7.108 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.756 0.406 8.529 1.00 0.19 H new ATOM 0 HB3 LEU A 108 -0.132 1.582 7.580 1.00 0.19 H new ATOM 0 HG LEU A 108 -2.267 0.457 8.315 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -2.169 -0.989 10.303 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -1.345 -1.725 8.907 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -0.391 -0.984 10.214 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -2.231 1.471 10.559 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.457 1.581 10.476 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -1.461 2.522 9.347 1.00 0.26 H new ATOM 1688 N VAL A 109 -1.906 -0.437 5.125 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.588 0.049 3.964 1.00 0.21 C ATOM 1690 C VAL A 109 -3.971 0.494 4.340 1.00 0.22 C ATOM 1691 O VAL A 109 -4.569 -0.004 5.286 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.673 -1.032 2.862 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -3.998 -1.771 2.877 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -2.411 -0.415 1.505 1.00 0.77 C ATOM 0 H VAL A 109 -2.268 -1.310 5.507 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.020 0.891 3.568 1.00 0.21 H new ATOM 0 HB VAL A 109 -1.901 -1.773 3.070 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -4.007 -2.519 2.084 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -4.130 -2.263 3.841 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.811 -1.063 2.717 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -2.473 -1.186 0.737 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -3.155 0.357 1.306 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -1.416 0.029 1.493 1.00 0.77 H new ATOM 1704 N THR A 110 -4.478 1.446 3.634 1.00 0.22 N ATOM 1705 CA THR A 110 -5.866 1.719 3.761 1.00 0.25 C ATOM 1706 C THR A 110 -6.602 1.026 2.638 1.00 0.26 C ATOM 1707 O THR A 110 -6.448 1.354 1.458 1.00 0.30 O ATOM 1708 CB THR A 110 -6.167 3.205 3.746 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.110 3.940 4.378 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.456 3.444 4.482 1.00 0.33 C ATOM 0 H THR A 110 -3.966 2.036 2.978 1.00 0.22 H new ATOM 0 HA THR A 110 -6.200 1.341 4.727 1.00 0.25 H new ATOM 0 HB THR A 110 -6.253 3.544 2.714 1.00 0.30 H new ATOM 0 HG1 THR A 110 -4.371 4.060 3.745 1.00 0.34 H new ATOM 0 HG21 THR A 110 -7.685 4.510 4.479 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.262 2.899 3.991 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.357 3.097 5.511 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.395 0.058 3.033 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.080 -0.822 2.126 1.00 0.37 C ATOM 1720 C ARG A 111 -9.453 -0.267 1.805 1.00 0.42 C ATOM 1721 O ARG A 111 -10.033 0.461 2.602 1.00 0.49 O ATOM 1722 CB ARG A 111 -8.215 -2.179 2.795 1.00 0.53 C ATOM 1723 CG ARG A 111 -8.895 -3.214 1.947 1.00 0.47 C ATOM 1724 CD ARG A 111 -9.606 -4.226 2.814 1.00 0.58 C ATOM 1725 NE ARG A 111 -11.053 -4.197 2.592 1.00 1.06 N ATOM 1726 CZ ARG A 111 -11.934 -4.918 3.284 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -11.524 -5.752 4.232 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -13.230 -4.804 3.024 1.00 2.01 N ATOM 0 H ARG A 111 -7.584 -0.141 4.015 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.519 -0.914 1.196 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -7.222 -2.540 3.064 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -8.774 -2.061 3.723 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -9.610 -2.733 1.279 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -8.160 -3.717 1.319 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -9.223 -5.224 2.599 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -9.393 -4.022 3.863 1.00 0.58 H new ATOM 0 HE ARG A 111 -11.410 -3.584 1.859 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -10.529 -5.844 4.435 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -12.204 -6.301 4.758 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -13.550 -4.165 2.296 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -13.907 -5.355 3.552 1.00 2.01 H new ATOM 1742 N GLN A 112 -9.977 -0.619 0.653 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.260 -0.097 0.235 1.00 0.71 C ATOM 1744 C GLN A 112 -12.241 -1.217 -0.105 1.00 0.89 C ATOM 1745 O GLN A 112 -12.858 -1.799 0.786 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.061 0.871 -0.934 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.056 0.367 -1.948 1.00 0.71 C ATOM 1748 CD GLN A 112 -8.995 1.388 -2.300 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -9.152 2.171 -3.235 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -7.918 1.421 -1.521 1.00 0.66 N ATOM 0 H GLN A 112 -9.539 -1.260 -0.008 1.00 0.56 H new ATOM 0 HA GLN A 112 -11.705 0.452 1.065 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.018 1.037 -1.429 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -10.730 1.835 -0.549 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -9.573 -0.528 -1.556 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -10.583 0.073 -2.856 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -7.822 0.755 -0.754 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.187 2.112 -1.690 1.00 0.66 H new ATOM 1759 N SER A 113 -12.328 -1.566 -1.375 1.00 0.79 N ATOM 1760 CA SER A 113 -13.361 -2.476 -1.838 1.00 0.96 C ATOM 1761 C SER A 113 -12.875 -3.280 -3.030 1.00 0.89 C ATOM 1762 O SER A 113 -13.621 -3.559 -3.968 1.00 1.18 O ATOM 1763 CB SER A 113 -14.612 -1.677 -2.196 1.00 1.25 C ATOM 1764 OG SER A 113 -15.741 -2.518 -2.366 1.00 1.62 O ATOM 0 H SER A 113 -11.697 -1.234 -2.104 1.00 0.79 H new ATOM 0 HA SER A 113 -13.602 -3.180 -1.042 1.00 0.96 H new ATOM 0 HB2 SER A 113 -14.816 -0.949 -1.411 1.00 1.25 H new ATOM 0 HB3 SER A 113 -14.435 -1.116 -3.113 1.00 1.25 H new ATOM 0 HG SER A 113 -15.534 -3.215 -3.024 1.00 1.62 H new ATOM 1770 N LEU A 114 -11.618 -3.660 -2.974 1.00 0.90 N ATOM 1771 CA LEU A 114 -11.023 -4.445 -4.038 1.00 0.94 C ATOM 1772 C LEU A 114 -10.847 -5.875 -3.565 1.00 1.13 C ATOM 1773 O LEU A 114 -10.799 -6.819 -4.356 1.00 1.65 O ATOM 1774 CB LEU A 114 -9.688 -3.832 -4.434 1.00 0.90 C ATOM 1775 CG LEU A 114 -9.657 -2.306 -4.374 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -8.277 -1.793 -4.713 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -10.702 -1.705 -5.304 1.00 1.23 C ATOM 0 H LEU A 114 -10.986 -3.439 -2.204 1.00 0.90 H new ATOM 0 HA LEU A 114 -11.673 -4.446 -4.913 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.911 -4.226 -3.778 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -9.441 -4.150 -5.447 1.00 0.90 H new ATOM 0 HG LEU A 114 -9.898 -1.998 -3.356 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -8.272 -0.704 -4.666 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -7.556 -2.191 -3.999 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -8.007 -2.114 -5.719 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -10.660 -0.617 -5.244 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -10.501 -2.019 -6.328 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -11.693 -2.047 -5.007 1.00 1.23 H new