USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=18 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= -0.629 USER MOD Set 1.2: A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 LYS NZ :NH3+ -142:sc= -0.0325 (180deg=-3.92!) USER MOD Set 2.2: A 98 THR OG1 : rot -139:sc= -1.69! USER MOD Single : A 10 THR OG1 : rot -24:sc= 0.276 USER MOD Single : A 14 GLN :FLIP amide:sc= -4.1! C(o=-11!,f=-4.1!) USER MOD Single : A 19 HIS : no HD1:sc= -0.604 X(o=-0.6,f=-0.5) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.0913 F(o=-0.86,f=-0.091) USER MOD Single : A 26 ASN : amide:sc= 0.926 K(o=0.93,f=-0.053) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.02 K(o=1,f=-0.24) 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 160:sc= -0.722 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.27 F(o=-3.8!,f=-0.27) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 161:sc= -5.23! (180deg=-6.83!) USER MOD Single : A 79 GLN : amide:sc= -0.433 K(o=-0.43,f=-5.9!) USER MOD Single : A 81 ASN : amide:sc= -4.62! C(o=-4.6!,f=-9.1!) USER MOD Single : A 85 MET CE :methyl -159:sc= -4! (180deg=-5.87!) USER MOD Single : A 89 THR OG1 : rot 180:sc= -1.68! USER MOD Single : A 90 HIS : no HD1:sc= -2.86 K(o=-2.9,f=-4.4!) USER MOD Single : A 92 GLN : amide:sc= 0.45 K(o=0.45,f=-8.3!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 173:sc= 1.39! (180deg=0.526!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0825 USER MOD Single : A 110 THR OG1 : rot -105:sc= 0.353 USER MOD Single : A 112 GLN : amide:sc= -1.42 K(o=-1.4,f=-2) USER MOD Single : A 113 SER OG : rot -44:sc= 0.387 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -14.895 6.703 3.961 1.00 1.00 N ATOM 140 CA THR A 10 -14.773 5.817 5.075 1.00 1.07 C ATOM 141 C THR A 10 -14.455 4.413 4.608 1.00 0.92 C ATOM 142 O THR A 10 -15.335 3.570 4.428 1.00 0.99 O ATOM 143 CB THR A 10 -16.050 5.837 5.906 1.00 1.30 C ATOM 144 OG1 THR A 10 -17.188 5.689 5.051 1.00 2.09 O ATOM 145 CG2 THR A 10 -16.155 7.135 6.679 1.00 1.90 C ATOM 0 HA THR A 10 -13.949 6.157 5.702 1.00 1.07 H new ATOM 0 HB THR A 10 -16.020 5.008 6.614 1.00 1.30 H new ATOM 0 HG1 THR A 10 -16.960 5.993 4.148 1.00 2.09 H new ATOM 0 HG21 THR A 10 -17.072 7.135 7.268 1.00 1.90 H new ATOM 0 HG22 THR A 10 -15.297 7.233 7.344 1.00 1.90 H new ATOM 0 HG23 THR A 10 -16.172 7.973 5.982 1.00 1.90 H new ATOM 153 N ALA A 11 -13.184 4.217 4.362 1.00 0.83 N ATOM 154 CA ALA A 11 -12.644 2.936 3.978 1.00 0.74 C ATOM 155 C ALA A 11 -12.134 2.208 5.207 1.00 0.77 C ATOM 156 O ALA A 11 -12.203 2.731 6.321 1.00 0.96 O ATOM 157 CB ALA A 11 -11.529 3.137 2.968 1.00 0.70 C ATOM 0 H ALA A 11 -12.483 4.955 4.424 1.00 0.83 H new ATOM 0 HA ALA A 11 -13.424 2.330 3.517 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -11.121 2.168 2.678 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.923 3.643 2.087 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.740 3.744 3.413 1.00 0.70 H new ATOM 163 N VAL A 12 -11.625 1.014 5.011 1.00 0.65 N ATOM 164 CA VAL A 12 -11.152 0.201 6.120 1.00 0.72 C ATOM 165 C VAL A 12 -9.640 0.030 6.050 1.00 0.54 C ATOM 166 O VAL A 12 -9.096 -0.427 5.047 1.00 0.54 O ATOM 167 CB VAL A 12 -11.847 -1.181 6.173 1.00 0.89 C ATOM 168 CG1 VAL A 12 -13.296 -1.031 6.618 1.00 1.57 C ATOM 169 CG2 VAL A 12 -11.778 -1.884 4.825 1.00 1.38 C ATOM 0 H VAL A 12 -11.525 0.579 4.094 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.411 0.730 7.038 1.00 0.72 H new ATOM 0 HB VAL A 12 -11.317 -1.795 6.901 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -13.770 -2.012 6.650 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -13.327 -0.580 7.610 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -13.829 -0.393 5.913 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -12.274 -2.852 4.894 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -12.275 -1.274 4.071 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -10.735 -2.030 4.544 1.00 1.38 H new ATOM 179 N VAL A 13 -8.963 0.405 7.115 1.00 0.52 N ATOM 180 CA VAL A 13 -7.516 0.373 7.137 1.00 0.44 C ATOM 181 C VAL A 13 -7.031 -1.035 7.443 1.00 0.41 C ATOM 182 O VAL A 13 -7.149 -1.522 8.570 1.00 0.50 O ATOM 183 CB VAL A 13 -6.954 1.357 8.171 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.448 1.467 8.054 1.00 0.90 C ATOM 185 CG2 VAL A 13 -7.603 2.720 8.015 1.00 1.02 C ATOM 0 H VAL A 13 -9.393 0.736 7.979 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.156 0.673 6.153 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.187 0.974 9.165 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.076 2.171 8.798 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -4.998 0.489 8.222 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -5.185 1.821 7.057 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -7.193 3.405 8.756 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -7.404 3.105 7.015 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -8.679 2.629 8.161 1.00 1.02 H new ATOM 195 N GLN A 14 -6.525 -1.690 6.420 1.00 0.37 N ATOM 196 CA GLN A 14 -6.073 -3.077 6.552 1.00 0.40 C ATOM 197 C GLN A 14 -4.543 -3.177 6.668 1.00 0.32 C ATOM 198 O GLN A 14 -3.823 -2.201 6.450 1.00 0.41 O ATOM 199 CB GLN A 14 -6.599 -3.927 5.381 1.00 0.51 C ATOM 200 CG GLN A 14 -5.999 -3.620 4.025 1.00 0.53 C ATOM 201 CD GLN A 14 -4.793 -4.479 3.710 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.608 -3.976 4.014 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -4.928 -5.579 3.185 1.00 0.55 N flip ATOM 0 H GLN A 14 -6.412 -1.294 5.487 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.486 -3.472 7.480 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -6.418 -4.977 5.609 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.679 -3.796 5.318 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.756 -3.769 3.255 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.711 -2.569 3.990 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -5.861 -5.929 2.967 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -4.107 -6.144 2.966 1.00 0.55 H new ATOM 212 N ARG A 15 -4.056 -4.375 6.997 1.00 0.32 N ATOM 213 CA ARG A 15 -2.628 -4.627 7.171 1.00 0.39 C ATOM 214 C ARG A 15 -2.104 -5.599 6.121 1.00 0.33 C ATOM 215 O ARG A 15 -2.772 -6.575 5.782 1.00 0.55 O ATOM 216 CB ARG A 15 -2.360 -5.216 8.557 1.00 0.70 C ATOM 217 CG ARG A 15 -2.265 -4.185 9.658 1.00 0.75 C ATOM 218 CD ARG A 15 -1.040 -3.310 9.470 1.00 1.44 C ATOM 219 NE ARG A 15 -0.816 -2.425 10.617 1.00 2.26 N ATOM 220 CZ ARG A 15 0.256 -1.643 10.766 1.00 2.85 C ATOM 221 NH1 ARG A 15 1.207 -1.630 9.841 1.00 2.98 N ATOM 222 NH2 ARG A 15 0.376 -0.870 11.840 1.00 3.63 N ATOM 0 H ARG A 15 -4.642 -5.196 7.150 1.00 0.32 H new ATOM 0 HA ARG A 15 -2.113 -3.673 7.061 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -3.156 -5.920 8.801 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -1.430 -5.784 8.525 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -3.163 -3.566 9.662 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -2.217 -4.683 10.626 1.00 0.75 H new ATOM 0 HD2 ARG A 15 -0.163 -3.941 9.322 1.00 1.44 H new ATOM 0 HD3 ARG A 15 -1.158 -2.711 8.567 1.00 1.44 H new ATOM 0 HE ARG A 15 -1.526 -2.405 11.349 1.00 2.26 H new ATOM 0 HH11 ARG A 15 1.121 -2.219 9.013 1.00 2.98 H new ATOM 0 HH12 ARG A 15 2.024 -1.031 9.958 1.00 2.98 H new ATOM 0 HH21 ARG A 15 -0.352 -0.873 12.554 1.00 3.63 H new ATOM 0 HH22 ARG A 15 1.196 -0.274 11.950 1.00 3.63 H new ATOM 236 N VAL A 16 -0.910 -5.321 5.617 1.00 0.25 N ATOM 237 CA VAL A 16 -0.218 -6.215 4.709 1.00 0.30 C ATOM 238 C VAL A 16 1.196 -6.447 5.228 1.00 0.26 C ATOM 239 O VAL A 16 1.914 -5.501 5.513 1.00 0.40 O ATOM 240 CB VAL A 16 -0.176 -5.648 3.259 1.00 0.51 C ATOM 241 CG1 VAL A 16 0.911 -6.308 2.415 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.525 -5.826 2.586 1.00 0.64 C ATOM 0 H VAL A 16 -0.395 -4.466 5.829 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.762 -7.159 4.668 1.00 0.30 H new ATOM 0 HB VAL A 16 0.060 -4.587 3.335 1.00 0.51 H new ATOM 0 HG11 VAL A 16 0.903 -5.881 1.412 1.00 1.02 H new ATOM 0 HG12 VAL A 16 1.884 -6.135 2.875 1.00 1.02 H new ATOM 0 HG13 VAL A 16 0.724 -7.380 2.354 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -1.482 -5.426 1.573 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.775 -6.886 2.547 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -2.288 -5.294 3.154 1.00 0.64 H new ATOM 252 N GLU A 17 1.585 -7.695 5.390 1.00 0.22 N ATOM 253 CA GLU A 17 2.913 -8.005 5.891 1.00 0.25 C ATOM 254 C GLU A 17 3.468 -9.223 5.182 1.00 0.24 C ATOM 255 O GLU A 17 2.864 -10.297 5.220 1.00 0.28 O ATOM 256 CB GLU A 17 2.875 -8.242 7.403 1.00 0.33 C ATOM 257 CG GLU A 17 4.204 -8.701 7.986 1.00 0.44 C ATOM 258 CD GLU A 17 4.150 -8.868 9.489 1.00 0.75 C ATOM 259 OE1 GLU A 17 3.799 -7.890 10.183 1.00 1.35 O ATOM 260 OE2 GLU A 17 4.475 -9.967 9.982 1.00 1.31 O ATOM 0 H GLU A 17 1.006 -8.509 5.184 1.00 0.22 H new ATOM 0 HA GLU A 17 3.566 -7.155 5.692 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.571 -7.320 7.898 1.00 0.33 H new ATOM 0 HB3 GLU A 17 2.114 -8.990 7.625 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.490 -9.648 7.528 1.00 0.44 H new ATOM 0 HG3 GLU A 17 4.978 -7.977 7.732 1.00 0.44 H new ATOM 267 N ILE A 18 4.608 -9.066 4.532 1.00 0.24 N ATOM 268 CA ILE A 18 5.202 -10.165 3.829 1.00 0.24 C ATOM 269 C ILE A 18 6.708 -10.058 3.931 1.00 0.27 C ATOM 270 O ILE A 18 7.256 -8.961 4.018 1.00 0.33 O ATOM 271 CB ILE A 18 4.750 -10.214 2.351 1.00 0.24 C ATOM 272 CG1 ILE A 18 5.102 -11.571 1.750 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.372 -9.081 1.547 1.00 0.27 C ATOM 274 CD1 ILE A 18 4.350 -12.711 2.387 1.00 0.61 C ATOM 0 H ILE A 18 5.130 -8.191 4.482 1.00 0.24 H new ATOM 0 HA ILE A 18 4.869 -11.095 4.289 1.00 0.24 H new ATOM 0 HB ILE A 18 3.669 -10.082 2.312 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.889 -11.555 0.681 1.00 0.34 H new ATOM 0 HG13 ILE A 18 6.173 -11.744 1.859 1.00 0.34 H new ATOM 0 HG21 ILE A 18 5.036 -9.142 0.512 1.00 0.27 H new ATOM 0 HG22 ILE A 18 5.068 -8.124 1.972 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.458 -9.164 1.581 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.644 -13.649 1.916 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.582 -12.751 3.451 1.00 0.61 H new ATOM 0 HD13 ILE A 18 3.279 -12.559 2.255 1.00 0.61 H new ATOM 286 N HIS A 19 7.375 -11.185 3.962 1.00 0.30 N ATOM 287 CA HIS A 19 8.816 -11.193 4.081 1.00 0.33 C ATOM 288 C HIS A 19 9.443 -10.822 2.740 1.00 0.35 C ATOM 289 O HIS A 19 9.238 -11.520 1.748 1.00 0.40 O ATOM 290 CB HIS A 19 9.295 -12.563 4.575 1.00 0.39 C ATOM 291 CG HIS A 19 8.981 -12.822 6.022 1.00 0.44 C ATOM 292 ND1 HIS A 19 9.919 -13.266 6.928 1.00 0.54 N ATOM 293 CD2 HIS A 19 7.823 -12.694 6.722 1.00 0.46 C ATOM 294 CE1 HIS A 19 9.358 -13.399 8.115 1.00 0.60 C ATOM 295 NE2 HIS A 19 8.086 -13.061 8.019 1.00 0.56 N ATOM 0 H HIS A 19 6.946 -12.109 3.907 1.00 0.30 H new ATOM 0 HA HIS A 19 9.130 -10.451 4.815 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.834 -13.341 3.967 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.372 -12.638 4.426 1.00 0.39 H new ATOM 0 HD2 HIS A 19 6.872 -12.365 6.331 1.00 0.46 H new ATOM 0 HE1 HIS A 19 9.856 -13.729 9.014 1.00 0.60 H new ATOM 0 HE2 HIS A 19 7.410 -13.071 8.782 1.00 0.56 H new ATOM 304 N LYS A 20 10.126 -9.665 2.727 1.00 0.34 N ATOM 305 CA LYS A 20 10.870 -9.162 1.553 1.00 0.36 C ATOM 306 C LYS A 20 11.381 -10.293 0.660 1.00 0.36 C ATOM 307 O LYS A 20 12.038 -11.224 1.130 1.00 0.42 O ATOM 308 CB LYS A 20 12.062 -8.308 2.004 1.00 0.40 C ATOM 309 CG LYS A 20 11.975 -6.842 1.609 1.00 1.42 C ATOM 310 CD LYS A 20 11.900 -6.655 0.104 1.00 2.33 C ATOM 311 CE LYS A 20 10.468 -6.595 -0.382 1.00 3.13 C ATOM 312 NZ LYS A 20 9.799 -5.336 0.040 1.00 4.00 N ATOM 0 H LYS A 20 10.180 -9.046 3.536 1.00 0.34 H new ATOM 0 HA LYS A 20 10.171 -8.560 0.973 1.00 0.36 H new ATOM 0 HB2 LYS A 20 12.150 -8.374 3.088 1.00 0.40 H new ATOM 0 HB3 LYS A 20 12.975 -8.731 1.584 1.00 0.40 H new ATOM 0 HG2 LYS A 20 11.096 -6.394 2.073 1.00 1.42 H new ATOM 0 HG3 LYS A 20 12.845 -6.311 1.996 1.00 1.42 H new ATOM 0 HD2 LYS A 20 12.418 -5.737 -0.175 1.00 2.33 H new ATOM 0 HD3 LYS A 20 12.418 -7.476 -0.391 1.00 2.33 H new ATOM 0 HE2 LYS A 20 10.449 -6.671 -1.469 1.00 3.13 H new ATOM 0 HE3 LYS A 20 9.915 -7.450 0.007 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 8.810 -5.536 0.294 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 10.294 -4.939 0.864 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 9.824 -4.651 -0.742 1.00 4.00 H new ATOM 326 N LEU A 21 11.103 -10.198 -0.636 1.00 0.33 N ATOM 327 CA LEU A 21 11.413 -11.287 -1.543 1.00 0.37 C ATOM 328 C LEU A 21 12.700 -10.990 -2.282 1.00 0.41 C ATOM 329 O LEU A 21 12.704 -10.353 -3.333 1.00 0.45 O ATOM 330 CB LEU A 21 10.265 -11.519 -2.530 1.00 0.38 C ATOM 331 CG LEU A 21 10.442 -12.720 -3.461 1.00 0.45 C ATOM 332 CD1 LEU A 21 10.529 -14.016 -2.664 1.00 0.55 C ATOM 333 CD2 LEU A 21 9.302 -12.779 -4.464 1.00 0.48 C ATOM 0 H LEU A 21 10.668 -9.386 -1.074 1.00 0.33 H new ATOM 0 HA LEU A 21 11.542 -12.199 -0.961 1.00 0.37 H new ATOM 0 HB2 LEU A 21 9.342 -11.650 -1.965 1.00 0.38 H new ATOM 0 HB3 LEU A 21 10.143 -10.623 -3.138 1.00 0.38 H new ATOM 0 HG LEU A 21 11.378 -12.599 -4.007 1.00 0.45 H new ATOM 0 HD11 LEU A 21 10.655 -14.856 -3.347 1.00 0.55 H new ATOM 0 HD12 LEU A 21 11.381 -13.970 -1.986 1.00 0.55 H new ATOM 0 HD13 LEU A 21 9.614 -14.151 -2.088 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.439 -13.638 -5.121 1.00 0.48 H new ATOM 0 HD22 LEU A 21 8.355 -12.876 -3.933 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.293 -11.865 -5.058 1.00 0.48 H new ATOM 345 N ARG A 22 13.793 -11.419 -1.695 1.00 0.51 N ATOM 346 CA ARG A 22 15.104 -11.166 -2.254 1.00 0.61 C ATOM 347 C ARG A 22 15.421 -12.093 -3.424 1.00 0.60 C ATOM 348 O ARG A 22 15.038 -13.263 -3.441 1.00 0.66 O ATOM 349 CB ARG A 22 16.174 -11.294 -1.170 1.00 0.88 C ATOM 350 CG ARG A 22 16.323 -12.695 -0.600 1.00 1.19 C ATOM 351 CD ARG A 22 17.519 -12.782 0.333 1.00 1.94 C ATOM 352 NE ARG A 22 17.678 -14.118 0.899 1.00 2.47 N ATOM 353 CZ ARG A 22 18.852 -14.682 1.151 1.00 3.28 C ATOM 354 NH1 ARG A 22 19.983 -14.033 0.896 1.00 3.78 N ATOM 355 NH2 ARG A 22 18.901 -15.910 1.643 1.00 3.97 N ATOM 0 H ARG A 22 13.801 -11.949 -0.824 1.00 0.51 H new ATOM 0 HA ARG A 22 15.102 -10.147 -2.641 1.00 0.61 H new ATOM 0 HB2 ARG A 22 17.132 -10.979 -1.583 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.935 -10.607 -0.358 1.00 0.88 H new ATOM 0 HG2 ARG A 22 15.416 -12.970 -0.061 1.00 1.19 H new ATOM 0 HG3 ARG A 22 16.440 -13.411 -1.413 1.00 1.19 H new ATOM 0 HD2 ARG A 22 18.423 -12.509 -0.211 1.00 1.94 H new ATOM 0 HD3 ARG A 22 17.402 -12.059 1.140 1.00 1.94 H new ATOM 0 HE ARG A 22 16.835 -14.650 1.114 1.00 2.47 H new ATOM 0 HH11 ARG A 22 19.954 -13.092 0.503 1.00 3.78 H new ATOM 0 HH12 ARG A 22 20.881 -14.476 1.093 1.00 3.78 H new ATOM 0 HH21 ARG A 22 18.037 -16.420 1.827 1.00 3.97 H new ATOM 0 HH22 ARG A 22 19.802 -16.346 1.838 1.00 3.97 H new ATOM 369 N GLN A 23 16.112 -11.537 -4.400 1.00 0.68 N ATOM 370 CA GLN A 23 16.593 -12.267 -5.550 1.00 0.81 C ATOM 371 C GLN A 23 18.073 -11.984 -5.703 1.00 0.93 C ATOM 372 O GLN A 23 18.443 -10.981 -6.310 1.00 1.02 O ATOM 373 CB GLN A 23 15.887 -11.792 -6.818 1.00 0.90 C ATOM 374 CG GLN A 23 15.714 -12.882 -7.849 1.00 1.04 C ATOM 375 CD GLN A 23 14.288 -13.403 -7.908 1.00 0.92 C ATOM 376 OE1 GLN A 23 13.573 -13.333 -6.788 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 13.823 -13.856 -8.954 1.00 0.69 N flip ATOM 0 H GLN A 23 16.358 -10.547 -4.413 1.00 0.68 H new ATOM 0 HA GLN A 23 16.400 -13.330 -5.407 1.00 0.81 H new ATOM 0 HB2 GLN A 23 14.908 -11.394 -6.553 1.00 0.90 H new ATOM 0 HB3 GLN A 23 16.456 -10.973 -7.257 1.00 0.90 H new ATOM 0 HG2 GLN A 23 15.999 -12.500 -8.829 1.00 1.04 H new ATOM 0 HG3 GLN A 23 16.390 -13.706 -7.619 1.00 1.04 H new ATOM 0 HE21 GLN A 23 14.400 -13.895 -9.794 1.00 0.69 H new ATOM 0 HE22 GLN A 23 12.861 -14.193 -8.981 1.00 0.69 H new ATOM 386 N GLY A 24 18.914 -12.838 -5.148 1.00 1.03 N ATOM 387 CA GLY A 24 20.340 -12.587 -5.168 1.00 1.19 C ATOM 388 C GLY A 24 20.706 -11.375 -4.338 1.00 1.23 C ATOM 389 O GLY A 24 21.056 -11.497 -3.162 1.00 1.33 O ATOM 0 H GLY A 24 18.636 -13.702 -4.683 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.869 -13.461 -4.789 1.00 1.19 H new ATOM 0 HA3 GLY A 24 20.669 -12.437 -6.196 1.00 1.19 H new ATOM 393 N GLU A 25 20.583 -10.203 -4.943 1.00 1.27 N ATOM 394 CA GLU A 25 20.917 -8.949 -4.279 1.00 1.43 C ATOM 395 C GLU A 25 19.871 -7.884 -4.581 1.00 1.40 C ATOM 396 O GLU A 25 20.065 -6.701 -4.300 1.00 1.61 O ATOM 397 CB GLU A 25 22.309 -8.478 -4.703 1.00 1.67 C ATOM 398 CG GLU A 25 23.413 -9.422 -4.257 1.00 1.84 C ATOM 399 CD GLU A 25 24.766 -9.064 -4.835 1.00 2.03 C ATOM 400 OE1 GLU A 25 25.477 -8.232 -4.230 1.00 2.33 O ATOM 401 OE2 GLU A 25 25.131 -9.624 -5.892 1.00 2.21 O ATOM 0 H GLU A 25 20.251 -10.093 -5.901 1.00 1.27 H new ATOM 0 HA GLU A 25 20.924 -9.119 -3.202 1.00 1.43 H new ATOM 0 HB2 GLU A 25 22.339 -8.379 -5.788 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.494 -7.488 -4.287 1.00 1.67 H new ATOM 0 HG2 GLU A 25 23.475 -9.412 -3.169 1.00 1.84 H new ATOM 0 HG3 GLU A 25 23.155 -10.439 -4.552 1.00 1.84 H new ATOM 408 N ASN A 26 18.754 -8.321 -5.142 1.00 1.21 N ATOM 409 CA ASN A 26 17.649 -7.420 -5.467 1.00 1.23 C ATOM 410 C ASN A 26 16.447 -7.809 -4.631 1.00 1.05 C ATOM 411 O ASN A 26 16.153 -8.984 -4.506 1.00 1.06 O ATOM 412 CB ASN A 26 17.271 -7.527 -6.948 1.00 1.31 C ATOM 413 CG ASN A 26 18.470 -7.698 -7.856 1.00 1.39 C ATOM 414 OD1 ASN A 26 19.046 -6.725 -8.344 1.00 1.87 O ATOM 415 ND2 ASN A 26 18.847 -8.946 -8.089 1.00 1.33 N ATOM 0 H ASN A 26 18.585 -9.297 -5.384 1.00 1.21 H new ATOM 0 HA ASN A 26 17.958 -6.396 -5.258 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.596 -8.372 -7.084 1.00 1.31 H new ATOM 0 HB3 ASN A 26 16.724 -6.631 -7.243 1.00 1.31 H new ATOM 0 HD21 ASN A 26 19.646 -9.133 -8.695 1.00 1.33 H new ATOM 0 HD22 ASN A 26 18.339 -9.720 -7.662 1.00 1.33 H new ATOM 422 N LEU A 27 15.751 -6.855 -4.051 1.00 0.95 N ATOM 423 CA LEU A 27 14.595 -7.190 -3.245 1.00 0.82 C ATOM 424 C LEU A 27 13.312 -6.815 -3.956 1.00 0.71 C ATOM 425 O LEU A 27 13.107 -5.670 -4.353 1.00 0.81 O ATOM 426 CB LEU A 27 14.675 -6.548 -1.860 1.00 0.93 C ATOM 427 CG LEU A 27 15.351 -7.416 -0.792 1.00 1.28 C ATOM 428 CD1 LEU A 27 16.791 -7.726 -1.167 1.00 2.28 C ATOM 429 CD2 LEU A 27 15.299 -6.739 0.566 1.00 1.62 C ATOM 0 H LEU A 27 15.959 -5.859 -4.119 1.00 0.95 H new ATOM 0 HA LEU A 27 14.591 -8.270 -3.101 1.00 0.82 H new ATOM 0 HB2 LEU A 27 15.218 -5.606 -1.941 1.00 0.93 H new ATOM 0 HB3 LEU A 27 13.666 -6.306 -1.527 1.00 0.93 H new ATOM 0 HG LEU A 27 14.802 -8.356 -0.735 1.00 1.28 H new ATOM 0 HD11 LEU A 27 17.244 -8.343 -0.391 1.00 2.28 H new ATOM 0 HD12 LEU A 27 16.813 -8.262 -2.116 1.00 2.28 H new ATOM 0 HD13 LEU A 27 17.350 -6.795 -1.264 1.00 2.28 H new ATOM 0 HD21 LEU A 27 15.785 -7.373 1.308 1.00 1.62 H new ATOM 0 HD22 LEU A 27 15.815 -5.780 0.515 1.00 1.62 H new ATOM 0 HD23 LEU A 27 14.260 -6.577 0.852 1.00 1.62 H new ATOM 441 N ILE A 28 12.459 -7.804 -4.120 1.00 0.57 N ATOM 442 CA ILE A 28 11.218 -7.638 -4.843 1.00 0.52 C ATOM 443 C ILE A 28 10.069 -7.409 -3.865 1.00 0.44 C ATOM 444 O ILE A 28 9.906 -8.153 -2.890 1.00 0.43 O ATOM 445 CB ILE A 28 10.931 -8.875 -5.741 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.794 -8.849 -7.013 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.461 -8.972 -6.114 1.00 0.47 C ATOM 448 CD1 ILE A 28 13.273 -9.055 -6.770 1.00 0.80 C ATOM 0 H ILE A 28 12.607 -8.745 -3.756 1.00 0.57 H new ATOM 0 HA ILE A 28 11.309 -6.765 -5.490 1.00 0.52 H new ATOM 0 HB ILE A 28 11.192 -9.757 -5.157 1.00 0.53 H new ATOM 0 HG12 ILE A 28 11.439 -9.623 -7.694 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.651 -7.892 -7.515 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.302 -9.849 -6.741 1.00 0.47 H new ATOM 0 HG22 ILE A 28 8.861 -9.060 -5.208 1.00 0.47 H new ATOM 0 HG23 ILE A 28 9.164 -8.077 -6.660 1.00 0.47 H new ATOM 0 HD11 ILE A 28 13.806 -9.022 -7.720 1.00 0.80 H new ATOM 0 HD12 ILE A 28 13.648 -8.267 -6.116 1.00 0.80 H new ATOM 0 HD13 ILE A 28 13.433 -10.024 -6.298 1.00 0.80 H new ATOM 460 N LEU A 29 9.294 -6.360 -4.119 1.00 0.51 N ATOM 461 CA LEU A 29 8.208 -5.977 -3.235 1.00 0.55 C ATOM 462 C LEU A 29 6.912 -6.673 -3.634 1.00 0.73 C ATOM 463 O LEU A 29 6.077 -6.970 -2.783 1.00 1.74 O ATOM 464 CB LEU A 29 8.029 -4.445 -3.184 1.00 0.71 C ATOM 465 CG LEU A 29 8.533 -3.641 -4.396 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.888 -2.265 -4.415 1.00 1.28 C ATOM 467 CD2 LEU A 29 10.051 -3.484 -4.360 1.00 1.33 C ATOM 0 H LEU A 29 9.402 -5.759 -4.936 1.00 0.51 H new ATOM 0 HA LEU A 29 8.470 -6.304 -2.229 1.00 0.55 H new ATOM 0 HB2 LEU A 29 6.968 -4.232 -3.054 1.00 0.71 H new ATOM 0 HB3 LEU A 29 8.540 -4.074 -2.295 1.00 0.71 H new ATOM 0 HG LEU A 29 8.259 -4.189 -5.297 1.00 0.74 H new ATOM 0 HD11 LEU A 29 8.252 -1.705 -5.276 1.00 1.28 H new ATOM 0 HD12 LEU A 29 6.805 -2.372 -4.482 1.00 1.28 H new ATOM 0 HD13 LEU A 29 8.144 -1.731 -3.500 1.00 1.28 H new ATOM 0 HD21 LEU A 29 10.378 -2.912 -5.228 1.00 1.33 H new ATOM 0 HD22 LEU A 29 10.341 -2.960 -3.450 1.00 1.33 H new ATOM 0 HD23 LEU A 29 10.519 -4.468 -4.376 1.00 1.33 H new ATOM 479 N GLY A 30 6.756 -6.939 -4.922 1.00 0.40 N ATOM 480 CA GLY A 30 5.603 -7.685 -5.387 1.00 0.32 C ATOM 481 C GLY A 30 4.410 -6.800 -5.654 1.00 0.35 C ATOM 482 O GLY A 30 3.303 -7.284 -5.850 1.00 0.69 O ATOM 0 H GLY A 30 7.406 -6.652 -5.654 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.865 -8.221 -6.299 1.00 0.32 H new ATOM 0 HA3 GLY A 30 5.335 -8.435 -4.643 1.00 0.32 H new ATOM 486 N PHE A 31 4.635 -5.500 -5.630 1.00 0.29 N ATOM 487 CA PHE A 31 3.603 -4.532 -5.944 1.00 0.28 C ATOM 488 C PHE A 31 4.222 -3.279 -6.544 1.00 0.31 C ATOM 489 O PHE A 31 5.365 -2.938 -6.245 1.00 0.42 O ATOM 490 CB PHE A 31 2.792 -4.175 -4.687 1.00 0.28 C ATOM 491 CG PHE A 31 3.619 -3.660 -3.535 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.902 -2.307 -3.419 1.00 0.42 C ATOM 493 CD2 PHE A 31 4.117 -4.525 -2.574 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.665 -1.828 -2.371 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.880 -4.051 -1.523 1.00 0.42 C ATOM 496 CZ PHE A 31 5.133 -2.715 -1.400 1.00 0.51 C ATOM 0 H PHE A 31 5.537 -5.087 -5.393 1.00 0.29 H new ATOM 0 HA PHE A 31 2.927 -4.976 -6.675 1.00 0.28 H new ATOM 0 HB2 PHE A 31 2.050 -3.421 -4.951 1.00 0.28 H new ATOM 0 HB3 PHE A 31 2.246 -5.059 -4.359 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.521 -1.618 -4.158 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.907 -5.582 -2.647 1.00 0.33 H new ATOM 0 HE1 PHE A 31 4.897 -0.775 -2.304 1.00 0.50 H new ATOM 0 HE2 PHE A 31 5.278 -4.742 -0.795 1.00 0.42 H new ATOM 0 HZ PHE A 31 5.694 -2.346 -0.554 1.00 0.51 H new ATOM 506 N SER A 32 3.482 -2.613 -7.412 1.00 0.25 N ATOM 507 CA SER A 32 3.917 -1.330 -7.923 1.00 0.23 C ATOM 508 C SER A 32 3.148 -0.234 -7.212 1.00 0.23 C ATOM 509 O SER A 32 2.008 -0.436 -6.811 1.00 0.29 O ATOM 510 CB SER A 32 3.733 -1.253 -9.433 1.00 0.25 C ATOM 511 OG SER A 32 4.977 -1.328 -10.105 1.00 0.53 O ATOM 0 H SER A 32 2.585 -2.937 -7.774 1.00 0.25 H new ATOM 0 HA SER A 32 4.982 -1.201 -7.729 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.088 -2.066 -9.765 1.00 0.25 H new ATOM 0 HB3 SER A 32 3.231 -0.321 -9.694 1.00 0.25 H new ATOM 0 HG SER A 32 4.830 -1.278 -11.073 1.00 0.53 H new ATOM 517 N ILE A 33 3.764 0.921 -7.067 1.00 0.23 N ATOM 518 CA ILE A 33 3.283 1.917 -6.116 1.00 0.25 C ATOM 519 C ILE A 33 3.739 3.322 -6.473 1.00 0.25 C ATOM 520 O ILE A 33 4.836 3.511 -6.989 1.00 0.32 O ATOM 521 CB ILE A 33 3.819 1.575 -4.695 1.00 0.36 C ATOM 522 CG1 ILE A 33 3.807 2.806 -3.771 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.219 1.004 -4.798 1.00 0.49 C ATOM 524 CD1 ILE A 33 4.801 2.744 -2.622 1.00 0.37 C ATOM 0 H ILE A 33 4.595 1.198 -7.590 1.00 0.23 H new ATOM 0 HA ILE A 33 2.194 1.892 -6.145 1.00 0.25 H new ATOM 0 HB ILE A 33 3.156 0.830 -4.254 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.016 3.694 -4.368 1.00 0.33 H new ATOM 0 HG13 ILE A 33 2.804 2.926 -3.361 1.00 0.33 H new ATOM 0 HG21 ILE A 33 5.589 0.766 -3.801 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.199 0.098 -5.403 1.00 0.49 H new ATOM 0 HG23 ILE A 33 5.877 1.737 -5.264 1.00 0.49 H new ATOM 0 HD11 ILE A 33 4.723 3.652 -2.024 1.00 0.37 H new ATOM 0 HD12 ILE A 33 4.582 1.878 -1.997 1.00 0.37 H new ATOM 0 HD13 ILE A 33 5.812 2.658 -3.020 1.00 0.37 H new ATOM 536 N GLY A 34 2.886 4.296 -6.198 1.00 0.26 N ATOM 537 CA GLY A 34 3.352 5.646 -6.032 1.00 0.43 C ATOM 538 C GLY A 34 2.591 6.337 -4.931 1.00 0.30 C ATOM 539 O GLY A 34 1.364 6.413 -4.941 1.00 0.72 O ATOM 0 H GLY A 34 1.880 4.171 -6.088 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.417 5.643 -5.799 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.231 6.196 -6.965 1.00 0.43 H new ATOM 543 N GLY A 35 3.314 6.741 -3.926 1.00 0.77 N ATOM 544 CA GLY A 35 2.761 7.588 -2.902 1.00 0.93 C ATOM 545 C GLY A 35 3.734 8.644 -2.494 1.00 0.73 C ATOM 546 O GLY A 35 4.815 8.298 -2.067 1.00 1.42 O ATOM 0 H GLY A 35 4.295 6.497 -3.791 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.846 8.054 -3.266 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.489 6.986 -2.035 1.00 0.93 H new ATOM 550 N GLY A 36 3.428 9.900 -2.661 1.00 0.40 N ATOM 551 CA GLY A 36 4.383 10.889 -2.220 1.00 0.39 C ATOM 552 C GLY A 36 3.825 12.292 -2.206 1.00 0.35 C ATOM 553 O GLY A 36 3.056 12.661 -3.093 1.00 0.48 O ATOM 0 H GLY A 36 2.568 10.257 -3.078 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.726 10.632 -1.218 1.00 0.39 H new ATOM 0 HA3 GLY A 36 5.255 10.859 -2.873 1.00 0.39 H new ATOM 557 N ILE A 37 4.212 13.078 -1.223 1.00 0.37 N ATOM 558 CA ILE A 37 4.227 14.526 -1.377 1.00 0.41 C ATOM 559 C ILE A 37 5.271 14.841 -2.420 1.00 0.38 C ATOM 560 O ILE A 37 5.264 15.886 -3.073 1.00 0.46 O ATOM 561 CB ILE A 37 4.589 15.242 -0.070 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.465 14.336 0.787 1.00 0.47 C ATOM 563 CG2 ILE A 37 3.333 15.632 0.692 1.00 0.52 C ATOM 564 CD1 ILE A 37 6.343 15.078 1.772 1.00 0.49 C ATOM 0 H ILE A 37 4.520 12.744 -0.310 1.00 0.37 H new ATOM 0 HA ILE A 37 3.234 14.871 -1.666 1.00 0.41 H new ATOM 0 HB ILE A 37 5.140 16.152 -0.309 1.00 0.43 H new ATOM 0 HG12 ILE A 37 4.826 13.644 1.336 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.098 13.736 0.133 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.611 16.139 1.616 1.00 0.52 H new ATOM 0 HG22 ILE A 37 2.728 16.301 0.079 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.758 14.737 0.928 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.935 14.362 2.343 1.00 0.49 H new ATOM 0 HD12 ILE A 37 7.009 15.750 1.231 1.00 0.49 H new ATOM 0 HD13 ILE A 37 5.718 15.657 2.452 1.00 0.49 H new ATOM 576 N ASP A 38 6.174 13.882 -2.549 1.00 0.35 N ATOM 577 CA ASP A 38 7.132 13.844 -3.625 1.00 0.40 C ATOM 578 C ASP A 38 6.392 13.825 -4.954 1.00 0.56 C ATOM 579 O ASP A 38 6.804 14.460 -5.925 1.00 0.69 O ATOM 580 CB ASP A 38 8.002 12.596 -3.503 1.00 0.39 C ATOM 581 CG ASP A 38 8.635 12.170 -4.808 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.618 12.801 -5.232 1.00 0.68 O ATOM 583 OD2 ASP A 38 8.148 11.185 -5.395 1.00 0.72 O ATOM 0 H ASP A 38 6.257 13.102 -1.897 1.00 0.35 H new ATOM 0 HA ASP A 38 7.770 14.726 -3.573 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.788 12.781 -2.771 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.395 11.776 -3.118 1.00 0.39 H new ATOM 588 N GLN A 39 5.255 13.116 -4.963 1.00 0.63 N ATOM 589 CA GLN A 39 4.480 12.919 -6.187 1.00 0.85 C ATOM 590 C GLN A 39 3.736 14.202 -6.562 1.00 0.93 C ATOM 591 O GLN A 39 4.052 14.838 -7.566 1.00 1.19 O ATOM 592 CB GLN A 39 3.473 11.773 -6.022 1.00 0.98 C ATOM 593 CG GLN A 39 4.090 10.422 -5.677 1.00 1.00 C ATOM 594 CD GLN A 39 4.910 9.820 -6.802 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.387 9.088 -7.640 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.201 10.101 -6.818 1.00 0.82 N ATOM 0 H GLN A 39 4.855 12.672 -4.136 1.00 0.63 H new ATOM 0 HA GLN A 39 5.178 12.661 -6.984 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.763 12.042 -5.240 1.00 0.98 H new ATOM 0 HB3 GLN A 39 2.905 11.671 -6.947 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.724 10.536 -4.798 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.294 9.727 -5.408 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.599 10.713 -6.105 1.00 0.82 H new ATOM 0 HE22 GLN A 39 6.800 9.706 -7.543 1.00 0.82 H new ATOM 815 N GLY A 54 -0.690 10.745 -0.036 1.00 0.78 N ATOM 816 CA GLY A 54 -0.107 9.751 0.828 1.00 0.65 C ATOM 817 C GLY A 54 0.716 8.792 0.023 1.00 0.53 C ATOM 818 O GLY A 54 1.172 9.139 -1.071 1.00 0.57 O ATOM 0 HA2 GLY A 54 0.515 10.233 1.582 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -0.892 9.213 1.359 1.00 0.65 H new ATOM 822 N ILE A 55 0.904 7.584 0.518 1.00 0.48 N ATOM 823 CA ILE A 55 1.654 6.615 -0.242 1.00 0.40 C ATOM 824 C ILE A 55 0.719 5.491 -0.629 1.00 0.33 C ATOM 825 O ILE A 55 0.069 4.966 0.226 1.00 0.43 O ATOM 826 CB ILE A 55 2.885 6.115 0.555 1.00 0.46 C ATOM 827 CG1 ILE A 55 4.054 7.097 0.383 1.00 0.51 C ATOM 828 CG2 ILE A 55 3.299 4.720 0.107 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.895 8.446 1.067 1.00 0.54 C ATOM 0 H ILE A 55 0.556 7.259 1.420 1.00 0.48 H new ATOM 0 HA ILE A 55 2.051 7.070 -1.149 1.00 0.40 H new ATOM 0 HB ILE A 55 2.612 6.063 1.609 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.960 6.624 0.762 1.00 0.51 H new ATOM 0 HG13 ILE A 55 4.206 7.268 -0.683 1.00 0.51 H new ATOM 0 HG21 ILE A 55 4.165 4.395 0.683 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.474 4.026 0.269 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.555 4.739 -0.952 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.778 9.056 0.878 1.00 0.54 H new ATOM 0 HD12 ILE A 55 3.014 8.952 0.673 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.779 8.298 2.141 1.00 0.54 H new ATOM 841 N TYR A 56 0.588 5.145 -1.908 1.00 0.25 N ATOM 842 CA TYR A 56 -0.436 4.186 -2.277 1.00 0.23 C ATOM 843 C TYR A 56 -0.002 3.296 -3.416 1.00 0.18 C ATOM 844 O TYR A 56 0.778 3.686 -4.286 1.00 0.28 O ATOM 845 CB TYR A 56 -1.773 4.872 -2.580 1.00 0.36 C ATOM 846 CG TYR A 56 -1.658 6.177 -3.304 1.00 0.32 C ATOM 847 CD1 TYR A 56 -1.167 7.297 -2.669 1.00 0.67 C ATOM 848 CD2 TYR A 56 -2.037 6.276 -4.627 1.00 0.83 C ATOM 849 CE1 TYR A 56 -1.049 8.497 -3.340 1.00 0.90 C ATOM 850 CE2 TYR A 56 -1.927 7.465 -5.314 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.460 8.605 -4.618 1.00 1.01 C ATOM 852 OH TYR A 56 -1.316 9.770 -5.336 1.00 1.42 O ATOM 0 H TYR A 56 1.157 5.501 -2.676 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.587 3.542 -1.411 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.386 4.195 -3.175 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.301 5.039 -1.641 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -0.871 7.235 -1.632 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -2.427 5.405 -5.133 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -0.625 9.354 -2.838 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -2.191 7.526 -6.359 1.00 1.14 H new ATOM 0 HH TYR A 56 -1.674 9.644 -6.239 1.00 1.42 H new ATOM 862 N VAL A 57 -0.508 2.085 -3.375 1.00 0.18 N ATOM 863 CA VAL A 57 -0.103 1.056 -4.289 1.00 0.17 C ATOM 864 C VAL A 57 -0.932 1.118 -5.561 1.00 0.16 C ATOM 865 O VAL A 57 -2.150 1.325 -5.517 1.00 0.22 O ATOM 866 CB VAL A 57 -0.199 -0.322 -3.608 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.613 -0.867 -3.569 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.743 -1.312 -4.250 1.00 0.58 C ATOM 0 H VAL A 57 -1.215 1.790 -2.702 1.00 0.18 H new ATOM 0 HA VAL A 57 0.937 1.216 -4.572 1.00 0.17 H new ATOM 0 HB VAL A 57 0.105 -0.174 -2.572 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.615 -1.840 -3.077 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.253 -0.180 -3.016 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -1.990 -0.974 -4.586 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.654 -2.276 -3.749 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.489 -1.426 -5.304 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.767 -0.950 -4.161 1.00 0.58 H new ATOM 878 N THR A 58 -0.246 0.977 -6.684 1.00 0.17 N ATOM 879 CA THR A 58 -0.849 1.099 -7.995 1.00 0.24 C ATOM 880 C THR A 58 -0.991 -0.274 -8.652 1.00 0.38 C ATOM 881 O THR A 58 -1.707 -0.440 -9.633 1.00 1.11 O ATOM 882 CB THR A 58 0.012 2.020 -8.882 1.00 0.39 C ATOM 883 OG1 THR A 58 0.275 3.253 -8.189 1.00 0.83 O ATOM 884 CG2 THR A 58 -0.686 2.313 -10.196 1.00 0.69 C ATOM 0 H THR A 58 0.753 0.773 -6.708 1.00 0.17 H new ATOM 0 HA THR A 58 -1.843 1.533 -7.882 1.00 0.24 H new ATOM 0 HB THR A 58 0.952 1.511 -9.096 1.00 0.39 H new ATOM 0 HG1 THR A 58 0.824 3.835 -8.755 1.00 0.83 H new ATOM 0 HG21 THR A 58 -0.058 2.965 -10.804 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.864 1.379 -10.730 1.00 0.69 H new ATOM 0 HG23 THR A 58 -1.638 2.806 -10.000 1.00 0.69 H new ATOM 892 N ARG A 59 -0.298 -1.261 -8.108 1.00 0.31 N ATOM 893 CA ARG A 59 -0.397 -2.623 -8.618 1.00 0.26 C ATOM 894 C ARG A 59 -0.178 -3.676 -7.546 1.00 0.26 C ATOM 895 O ARG A 59 -0.271 -3.397 -6.349 1.00 0.27 O ATOM 896 CB ARG A 59 0.600 -2.852 -9.745 1.00 0.26 C ATOM 897 CG ARG A 59 0.094 -2.369 -11.081 1.00 0.34 C ATOM 898 CD ARG A 59 0.969 -2.845 -12.223 1.00 0.45 C ATOM 899 NE ARG A 59 0.908 -4.297 -12.408 1.00 1.06 N ATOM 900 CZ ARG A 59 1.946 -5.045 -12.787 1.00 1.50 C ATOM 901 NH1 ARG A 59 3.128 -4.484 -13.017 1.00 1.52 N ATOM 902 NH2 ARG A 59 1.798 -6.355 -12.958 1.00 2.27 N ATOM 0 H ARG A 59 0.337 -1.148 -7.317 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.416 -2.729 -8.989 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.533 -2.340 -9.508 1.00 0.26 H new ATOM 0 HB3 ARG A 59 0.828 -3.916 -9.811 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.925 -2.724 -11.233 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.056 -1.280 -11.082 1.00 0.34 H new ATOM 0 HD2 ARG A 59 0.659 -2.351 -13.144 1.00 0.45 H new ATOM 0 HD3 ARG A 59 2.001 -2.549 -12.034 1.00 0.45 H new ATOM 0 HE ARG A 59 0.018 -4.765 -12.237 1.00 1.06 H new ATOM 0 HH11 ARG A 59 3.245 -3.477 -12.904 1.00 1.52 H new ATOM 0 HH12 ARG A 59 3.918 -5.060 -13.306 1.00 1.52 H new ATOM 0 HH21 ARG A 59 0.889 -6.791 -12.799 1.00 2.27 H new ATOM 0 HH22 ARG A 59 2.593 -6.925 -13.248 1.00 2.27 H new ATOM 916 N VAL A 60 0.004 -4.903 -8.038 1.00 0.26 N ATOM 917 CA VAL A 60 0.515 -6.060 -7.293 1.00 0.27 C ATOM 918 C VAL A 60 0.973 -7.071 -8.339 1.00 0.36 C ATOM 919 O VAL A 60 0.483 -7.034 -9.471 1.00 0.51 O ATOM 920 CB VAL A 60 -0.519 -6.771 -6.368 1.00 0.33 C ATOM 921 CG1 VAL A 60 0.154 -7.907 -5.618 1.00 0.83 C ATOM 922 CG2 VAL A 60 -1.159 -5.830 -5.369 1.00 0.75 C ATOM 0 H VAL A 60 -0.210 -5.129 -9.009 1.00 0.26 H new ATOM 0 HA VAL A 60 1.300 -5.695 -6.631 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.309 -7.152 -7.015 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.574 -8.399 -4.974 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.553 -8.628 -6.331 1.00 0.83 H new ATOM 0 HG13 VAL A 60 0.967 -7.510 -5.010 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.869 -6.382 -4.753 1.00 0.75 H new ATOM 0 HG22 VAL A 60 -0.388 -5.395 -4.733 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.681 -5.035 -5.901 1.00 0.75 H new ATOM 932 N SER A 61 1.903 -7.950 -8.002 1.00 0.45 N ATOM 933 CA SER A 61 2.323 -8.977 -8.933 1.00 0.56 C ATOM 934 C SER A 61 1.747 -10.327 -8.568 1.00 0.56 C ATOM 935 O SER A 61 1.809 -10.767 -7.417 1.00 0.64 O ATOM 936 CB SER A 61 3.838 -9.068 -9.017 1.00 0.72 C ATOM 937 OG SER A 61 4.428 -9.286 -7.749 1.00 1.65 O ATOM 0 H SER A 61 2.376 -7.971 -7.099 1.00 0.45 H new ATOM 0 HA SER A 61 1.938 -8.690 -9.912 1.00 0.56 H new ATOM 0 HB2 SER A 61 4.116 -9.879 -9.690 1.00 0.72 H new ATOM 0 HB3 SER A 61 4.233 -8.148 -9.447 1.00 0.72 H new ATOM 0 HG SER A 61 5.330 -9.652 -7.866 1.00 1.65 H new ATOM 943 N GLU A 62 1.187 -10.966 -9.566 1.00 0.68 N ATOM 944 CA GLU A 62 0.664 -12.305 -9.438 1.00 0.73 C ATOM 945 C GLU A 62 1.761 -13.294 -9.112 1.00 0.74 C ATOM 946 O GLU A 62 2.606 -13.615 -9.952 1.00 0.84 O ATOM 947 CB GLU A 62 -0.005 -12.685 -10.735 1.00 0.86 C ATOM 948 CG GLU A 62 -1.490 -12.374 -10.752 1.00 1.45 C ATOM 949 CD GLU A 62 -2.133 -12.635 -12.098 1.00 1.62 C ATOM 950 OE1 GLU A 62 -2.309 -13.818 -12.458 1.00 1.75 O ATOM 951 OE2 GLU A 62 -2.460 -11.662 -12.804 1.00 1.85 O ATOM 0 H GLU A 62 1.080 -10.568 -10.499 1.00 0.68 H new ATOM 0 HA GLU A 62 -0.055 -12.330 -8.619 1.00 0.73 H new ATOM 0 HB2 GLU A 62 0.480 -12.157 -11.556 1.00 0.86 H new ATOM 0 HB3 GLU A 62 0.139 -13.751 -10.913 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -1.990 -12.976 -9.993 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -1.640 -11.329 -10.480 1.00 1.45 H new ATOM 958 N GLY A 63 1.752 -13.752 -7.880 1.00 0.76 N ATOM 959 CA GLY A 63 2.732 -14.712 -7.447 1.00 0.86 C ATOM 960 C GLY A 63 3.771 -14.080 -6.553 1.00 0.80 C ATOM 961 O GLY A 63 4.518 -14.781 -5.867 1.00 0.92 O ATOM 0 H GLY A 63 1.079 -13.474 -7.166 1.00 0.76 H new ATOM 0 HA2 GLY A 63 2.237 -15.523 -6.913 1.00 0.86 H new ATOM 0 HA3 GLY A 63 3.219 -15.153 -8.317 1.00 0.86 H new ATOM 965 N GLY A 64 3.818 -12.753 -6.554 1.00 0.67 N ATOM 966 CA GLY A 64 4.735 -12.054 -5.694 1.00 0.66 C ATOM 967 C GLY A 64 4.230 -12.000 -4.281 1.00 0.63 C ATOM 968 O GLY A 64 3.123 -12.441 -3.992 1.00 0.99 O ATOM 0 H GLY A 64 3.234 -12.154 -7.138 1.00 0.67 H new ATOM 0 HA2 GLY A 64 5.706 -12.549 -5.716 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.885 -11.041 -6.067 1.00 0.66 H new ATOM 972 N PRO A 65 5.002 -11.414 -3.386 1.00 0.37 N ATOM 973 CA PRO A 65 4.751 -11.512 -1.959 1.00 0.27 C ATOM 974 C PRO A 65 3.589 -10.661 -1.495 1.00 0.23 C ATOM 975 O PRO A 65 2.908 -10.983 -0.518 1.00 0.29 O ATOM 976 CB PRO A 65 6.071 -11.059 -1.368 1.00 0.32 C ATOM 977 CG PRO A 65 6.621 -10.089 -2.347 1.00 0.43 C ATOM 978 CD PRO A 65 6.181 -10.585 -3.698 1.00 0.44 C ATOM 0 HA PRO A 65 4.453 -12.514 -1.650 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.927 -10.595 -0.392 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.748 -11.901 -1.224 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.245 -9.084 -2.157 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.708 -10.040 -2.282 1.00 0.43 H new ATOM 0 HD2 PRO A 65 5.929 -9.762 -4.366 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.963 -11.165 -4.188 1.00 0.44 H new ATOM 986 N ALA A 66 3.349 -9.605 -2.223 1.00 0.22 N ATOM 987 CA ALA A 66 2.239 -8.722 -1.957 1.00 0.24 C ATOM 988 C ALA A 66 0.906 -9.427 -2.193 1.00 0.29 C ATOM 989 O ALA A 66 -0.109 -9.088 -1.581 1.00 0.36 O ATOM 990 CB ALA A 66 2.372 -7.526 -2.856 1.00 0.27 C ATOM 0 H ALA A 66 3.919 -9.329 -3.022 1.00 0.22 H new ATOM 0 HA ALA A 66 2.256 -8.413 -0.912 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.544 -6.841 -2.675 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.314 -7.019 -2.650 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.355 -7.849 -3.897 1.00 0.27 H new ATOM 996 N GLU A 67 0.931 -10.428 -3.066 1.00 0.30 N ATOM 997 CA GLU A 67 -0.261 -11.194 -3.407 1.00 0.42 C ATOM 998 C GLU A 67 -0.621 -12.101 -2.240 1.00 0.39 C ATOM 999 O GLU A 67 -1.789 -12.368 -1.963 1.00 0.45 O ATOM 1000 CB GLU A 67 0.011 -12.010 -4.683 1.00 0.53 C ATOM 1001 CG GLU A 67 -1.098 -12.970 -5.086 1.00 0.77 C ATOM 1002 CD GLU A 67 -2.318 -12.248 -5.614 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -2.378 -11.983 -6.832 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -3.225 -11.941 -4.816 1.00 1.79 O ATOM 0 H GLU A 67 1.774 -10.730 -3.555 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.102 -10.527 -3.598 1.00 0.42 H new ATOM 0 HB2 GLU A 67 0.188 -11.318 -5.507 1.00 0.53 H new ATOM 0 HB3 GLU A 67 0.930 -12.580 -4.542 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -0.725 -13.654 -5.849 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -1.381 -13.576 -4.226 1.00 0.77 H new ATOM 1011 N ILE A 68 0.407 -12.527 -1.529 1.00 0.31 N ATOM 1012 CA ILE A 68 0.250 -13.435 -0.402 1.00 0.31 C ATOM 1013 C ILE A 68 -0.286 -12.691 0.817 1.00 0.28 C ATOM 1014 O ILE A 68 -1.133 -13.203 1.547 1.00 0.34 O ATOM 1015 CB ILE A 68 1.595 -14.131 -0.053 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.954 -15.205 -1.093 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.550 -14.754 1.335 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.951 -14.726 -2.523 1.00 0.51 C ATOM 0 H ILE A 68 1.373 -12.256 -1.714 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.469 -14.202 -0.690 1.00 0.31 H new ATOM 0 HB ILE A 68 2.367 -13.361 -0.066 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.942 -15.601 -0.859 1.00 0.39 H new ATOM 0 HG13 ILE A 68 1.249 -16.031 -1.000 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.505 -15.233 1.550 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.358 -13.978 2.076 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.754 -15.498 1.374 1.00 0.32 H new ATOM 0 HD11 ILE A 68 2.215 -15.552 -3.184 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.958 -14.358 -2.781 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.677 -13.922 -2.639 1.00 0.51 H new ATOM 1030 N ALA A 69 0.208 -11.478 1.021 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.237 -10.656 2.140 1.00 0.24 C ATOM 1032 C ALA A 69 -1.594 -10.026 1.842 1.00 0.31 C ATOM 1033 O ALA A 69 -2.271 -9.539 2.746 1.00 0.41 O ATOM 1034 CB ALA A 69 0.793 -9.585 2.461 1.00 0.24 C ATOM 0 H ALA A 69 0.915 -11.041 0.429 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.345 -11.299 3.013 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.442 -8.982 3.299 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.739 -10.058 2.725 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.937 -8.946 1.590 1.00 0.24 H new ATOM 1040 N GLY A 70 -1.981 -10.042 0.573 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.292 -9.547 0.196 1.00 0.41 C ATOM 1042 C GLY A 70 -3.319 -8.054 -0.073 1.00 0.36 C ATOM 1043 O GLY A 70 -3.931 -7.292 0.672 1.00 0.45 O ATOM 0 H GLY A 70 -1.413 -10.388 -0.200 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.629 -10.075 -0.696 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -4.002 -9.778 0.990 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.647 -7.639 -1.130 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.673 -6.247 -1.559 1.00 0.30 C ATOM 1049 C LEU A 71 -3.453 -6.151 -2.867 1.00 0.24 C ATOM 1050 O LEU A 71 -3.500 -7.115 -3.631 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.239 -5.744 -1.712 1.00 0.38 C ATOM 1052 CG LEU A 71 -1.069 -4.232 -1.846 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.743 -3.508 -0.687 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.409 -3.891 -1.892 1.00 0.87 C ATOM 0 H LEU A 71 -2.072 -8.248 -1.713 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.170 -5.619 -0.820 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.664 -6.079 -0.849 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.801 -6.218 -2.590 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.544 -3.904 -2.771 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.609 -2.432 -0.803 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.807 -3.743 -0.681 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.295 -3.830 0.253 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.531 -2.812 -1.988 1.00 0.87 H new ATOM 0 HD22 LEU A 71 0.889 -4.230 -0.974 1.00 0.87 H new ATOM 0 HD23 LEU A 71 0.870 -4.385 -2.747 1.00 0.87 H new ATOM 1066 N GLN A 72 -4.076 -5.004 -3.132 1.00 0.24 N ATOM 1067 CA GLN A 72 -5.102 -4.952 -4.164 1.00 0.33 C ATOM 1068 C GLN A 72 -4.864 -3.942 -5.284 1.00 0.25 C ATOM 1069 O GLN A 72 -5.838 -3.466 -5.870 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.419 -4.635 -3.513 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.828 -5.653 -2.477 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.855 -5.099 -1.519 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -7.696 -3.834 -1.169 1.00 1.21 O flip ATOM 1074 NE2 GLN A 72 -8.765 -5.805 -1.069 1.00 0.64 N flip ATOM 0 H GLN A 72 -3.893 -4.120 -2.658 1.00 0.24 H new ATOM 0 HA GLN A 72 -5.083 -5.931 -4.642 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.359 -3.653 -3.044 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -7.191 -4.575 -4.280 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -7.233 -6.534 -2.974 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -5.949 -5.977 -1.920 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -8.851 -6.777 -1.366 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -9.430 -5.415 -0.401 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.612 -3.616 -5.620 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.352 -2.868 -6.843 1.00 0.26 C ATOM 1085 C ILE A 73 -3.843 -1.395 -6.779 1.00 0.23 C ATOM 1086 O ILE A 73 -3.661 -0.626 -7.721 1.00 0.31 O ATOM 1087 CB ILE A 73 -4.015 -3.650 -8.022 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.308 -4.999 -8.207 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -4.017 -2.865 -9.314 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -3.912 -5.877 -9.282 1.00 0.77 C ATOM 0 H ILE A 73 -2.784 -3.854 -5.074 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.275 -2.791 -6.991 1.00 0.26 H new ATOM 0 HB ILE A 73 -5.060 -3.816 -7.761 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -2.261 -4.817 -8.449 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -3.327 -5.539 -7.260 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -4.489 -3.456 -10.098 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -4.572 -1.937 -9.175 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.991 -2.635 -9.601 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.352 -6.810 -9.347 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -4.951 -6.093 -9.034 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -3.868 -5.360 -10.241 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.383 -0.966 -5.647 1.00 0.22 N ATOM 1103 CA GLY A 74 -5.039 0.334 -5.612 1.00 0.25 C ATOM 1104 C GLY A 74 -5.404 0.767 -4.212 1.00 0.29 C ATOM 1105 O GLY A 74 -6.518 1.230 -3.956 1.00 0.37 O ATOM 0 H GLY A 74 -4.382 -1.480 -4.766 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -4.381 1.080 -6.058 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.941 0.298 -6.223 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.445 0.656 -3.320 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.678 0.887 -1.896 1.00 0.34 C ATOM 1111 C ASP A 75 -3.794 2.004 -1.379 1.00 0.30 C ATOM 1112 O ASP A 75 -2.659 2.143 -1.813 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.439 -0.391 -1.096 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.481 -1.447 -1.381 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.680 -1.193 -1.129 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -5.102 -2.534 -1.859 1.00 0.89 O ATOM 0 H ASP A 75 -3.484 0.405 -3.551 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.719 1.186 -1.770 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.451 -0.786 -1.332 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.443 -0.157 -0.031 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.307 2.772 -0.431 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.618 3.949 0.075 1.00 0.28 C ATOM 1123 C LYS A 76 -2.874 3.601 1.359 1.00 0.28 C ATOM 1124 O LYS A 76 -3.466 3.430 2.406 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.614 5.088 0.342 1.00 0.34 C ATOM 1126 CG LYS A 76 -5.875 5.042 -0.514 1.00 0.74 C ATOM 1127 CD LYS A 76 -5.577 5.119 -2.003 1.00 1.17 C ATOM 1128 CE LYS A 76 -6.862 5.037 -2.808 1.00 1.55 C ATOM 1129 NZ LYS A 76 -6.620 4.993 -4.276 1.00 2.20 N ATOM 0 H LYS A 76 -5.211 2.598 0.009 1.00 0.30 H new ATOM 0 HA LYS A 76 -2.904 4.283 -0.678 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -4.903 5.062 1.393 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.111 6.040 0.173 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -6.418 4.121 -0.304 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -6.529 5.869 -0.235 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -5.059 6.051 -2.228 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -4.910 4.306 -2.289 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -7.417 4.148 -2.509 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -7.488 5.898 -2.573 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -7.530 4.937 -4.776 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -6.115 5.853 -4.570 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -6.046 4.158 -4.508 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.580 3.490 1.258 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.729 3.109 2.370 1.00 0.27 C ATOM 1145 C ILE A 77 -0.585 4.232 3.396 1.00 0.25 C ATOM 1146 O ILE A 77 -0.205 5.381 3.058 1.00 0.29 O ATOM 1147 CB ILE A 77 0.655 2.713 1.852 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.530 1.497 0.938 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.638 2.471 2.988 1.00 0.38 C ATOM 1150 CD1 ILE A 77 0.894 1.806 -0.491 1.00 0.49 C ATOM 0 H ILE A 77 -1.070 3.662 0.391 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.202 2.262 2.867 1.00 0.27 H new ATOM 0 HB ILE A 77 1.060 3.543 1.273 1.00 0.31 H new ATOM 0 HG12 ILE A 77 1.175 0.700 1.309 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.493 1.123 0.976 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.608 2.192 2.577 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.742 3.381 3.579 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.269 1.666 3.624 1.00 0.38 H new ATOM 0 HD11 ILE A 77 0.787 0.906 -1.096 1.00 0.49 H new ATOM 0 HD12 ILE A 77 0.232 2.582 -0.875 1.00 0.49 H new ATOM 0 HD13 ILE A 77 1.926 2.154 -0.537 1.00 0.49 H new ATOM 1162 N MET A 78 -0.906 3.861 4.643 1.00 0.22 N ATOM 1163 CA MET A 78 -0.806 4.734 5.802 1.00 0.24 C ATOM 1164 C MET A 78 0.550 4.611 6.487 1.00 0.24 C ATOM 1165 O MET A 78 0.929 5.474 7.275 1.00 0.30 O ATOM 1166 CB MET A 78 -1.892 4.383 6.830 1.00 0.33 C ATOM 1167 CG MET A 78 -3.296 4.226 6.263 1.00 0.32 C ATOM 1168 SD MET A 78 -4.089 5.799 5.866 1.00 0.75 S ATOM 1169 CE MET A 78 -3.018 6.370 4.556 1.00 1.06 C ATOM 0 H MET A 78 -1.248 2.927 4.870 1.00 0.22 H new ATOM 0 HA MET A 78 -0.934 5.754 5.441 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.612 3.454 7.327 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.911 5.160 7.594 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.250 3.613 5.363 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.913 3.688 6.983 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.531 7.136 3.975 1.00 1.06 H new ATOM 0 HE2 MET A 78 -2.108 6.789 4.986 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.760 5.534 3.906 1.00 1.06 H new ATOM 1179 N GLN A 79 1.266 3.532 6.214 1.00 0.23 N ATOM 1180 CA GLN A 79 2.534 3.264 6.895 1.00 0.23 C ATOM 1181 C GLN A 79 3.258 2.080 6.272 1.00 0.24 C ATOM 1182 O GLN A 79 2.645 1.230 5.632 1.00 0.24 O ATOM 1183 CB GLN A 79 2.294 3.019 8.395 1.00 0.26 C ATOM 1184 CG GLN A 79 2.982 1.776 8.944 1.00 0.54 C ATOM 1185 CD GLN A 79 2.863 1.637 10.442 1.00 0.50 C ATOM 1186 OE1 GLN A 79 2.810 0.523 10.961 1.00 0.82 O ATOM 1187 NE2 GLN A 79 2.844 2.755 11.144 1.00 0.43 N ATOM 0 H GLN A 79 0.997 2.826 5.529 1.00 0.23 H new ATOM 0 HA GLN A 79 3.169 4.142 6.778 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.641 3.889 8.953 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.222 2.934 8.571 1.00 0.26 H new ATOM 0 HG2 GLN A 79 2.553 0.893 8.470 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.037 1.804 8.672 1.00 0.54 H new ATOM 0 HE21 GLN A 79 2.890 3.656 10.669 1.00 0.43 H new ATOM 0 HE22 GLN A 79 2.783 2.717 12.161 1.00 0.43 H new ATOM 1196 N VAL A 80 4.564 2.030 6.476 1.00 0.28 N ATOM 1197 CA VAL A 80 5.370 0.934 5.986 1.00 0.35 C ATOM 1198 C VAL A 80 6.509 0.626 6.961 1.00 0.31 C ATOM 1199 O VAL A 80 7.326 1.490 7.276 1.00 0.31 O ATOM 1200 CB VAL A 80 5.935 1.224 4.578 1.00 0.52 C ATOM 1201 CG1 VAL A 80 6.723 2.527 4.553 1.00 0.85 C ATOM 1202 CG2 VAL A 80 6.793 0.063 4.112 1.00 1.31 C ATOM 0 H VAL A 80 5.088 2.744 6.982 1.00 0.28 H new ATOM 0 HA VAL A 80 4.722 0.061 5.911 1.00 0.35 H new ATOM 0 HB VAL A 80 5.097 1.338 3.891 1.00 0.52 H new ATOM 0 HG11 VAL A 80 7.107 2.701 3.548 1.00 0.85 H new ATOM 0 HG12 VAL A 80 6.071 3.352 4.840 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.556 2.462 5.253 1.00 0.85 H new ATOM 0 HG21 VAL A 80 7.187 0.277 3.118 1.00 1.31 H new ATOM 0 HG22 VAL A 80 7.620 -0.080 4.807 1.00 1.31 H new ATOM 0 HG23 VAL A 80 6.189 -0.844 4.075 1.00 1.31 H new ATOM 1212 N ASN A 81 6.523 -0.611 7.454 1.00 0.34 N ATOM 1213 CA ASN A 81 7.553 -1.092 8.383 1.00 0.38 C ATOM 1214 C ASN A 81 7.676 -0.210 9.612 1.00 0.34 C ATOM 1215 O ASN A 81 8.748 -0.108 10.205 1.00 0.40 O ATOM 1216 CB ASN A 81 8.904 -1.205 7.680 1.00 0.46 C ATOM 1217 CG ASN A 81 9.033 -2.489 6.890 1.00 0.70 C ATOM 1218 OD1 ASN A 81 9.549 -3.486 7.387 1.00 1.50 O ATOM 1219 ND2 ASN A 81 8.517 -2.490 5.676 1.00 1.18 N ATOM 0 H ASN A 81 5.820 -1.313 7.222 1.00 0.34 H new ATOM 0 HA ASN A 81 7.240 -2.081 8.719 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.036 -0.354 7.011 1.00 0.46 H new ATOM 0 HB3 ASN A 81 9.702 -1.155 8.421 1.00 0.46 H new ATOM 0 HD21 ASN A 81 8.538 -3.341 5.114 1.00 1.18 H new ATOM 0 HD22 ASN A 81 8.097 -1.640 5.300 1.00 1.18 H new ATOM 1226 N GLY A 82 6.575 0.412 10.003 1.00 0.32 N ATOM 1227 CA GLY A 82 6.589 1.243 11.185 1.00 0.34 C ATOM 1228 C GLY A 82 6.644 2.718 10.855 1.00 0.31 C ATOM 1229 O GLY A 82 6.288 3.554 11.685 1.00 0.38 O ATOM 0 H GLY A 82 5.676 0.356 9.525 1.00 0.32 H new ATOM 0 HA2 GLY A 82 5.698 1.040 11.779 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.449 0.979 11.801 1.00 0.34 H new ATOM 1233 N TRP A 83 7.072 3.054 9.643 1.00 0.28 N ATOM 1234 CA TRP A 83 7.114 4.448 9.243 1.00 0.28 C ATOM 1235 C TRP A 83 5.771 4.832 8.699 1.00 0.29 C ATOM 1236 O TRP A 83 5.285 4.252 7.734 1.00 0.48 O ATOM 1237 CB TRP A 83 8.173 4.738 8.191 1.00 0.30 C ATOM 1238 CG TRP A 83 9.524 4.273 8.562 1.00 0.33 C ATOM 1239 CD1 TRP A 83 9.953 3.001 8.499 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.620 5.052 9.054 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.256 2.922 8.896 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.687 4.166 9.254 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.806 6.406 9.343 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.929 4.576 9.720 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 12.041 6.817 9.815 1.00 0.77 C ATOM 1246 CH2 TRP A 83 13.087 5.900 10.001 1.00 0.76 C ATOM 0 H TRP A 83 7.388 2.391 8.935 1.00 0.28 H new ATOM 0 HA TRP A 83 7.373 5.031 10.127 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.880 4.264 7.254 1.00 0.30 H new ATOM 0 HB3 TRP A 83 8.206 5.812 8.008 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.353 2.162 8.180 1.00 0.35 H new ATOM 0 HE1 TRP A 83 11.817 2.071 8.921 1.00 0.41 H new ATOM 0 HE3 TRP A 83 10.005 7.116 9.201 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.738 3.873 9.854 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 12.202 7.860 10.044 1.00 0.77 H new ATOM 0 HH2 TRP A 83 14.037 6.251 10.375 1.00 0.76 H new ATOM 1257 N ASP A 84 5.185 5.801 9.324 1.00 0.39 N ATOM 1258 CA ASP A 84 3.831 6.181 9.021 1.00 0.41 C ATOM 1259 C ASP A 84 3.784 7.214 7.909 1.00 0.40 C ATOM 1260 O ASP A 84 4.288 8.330 8.035 1.00 0.59 O ATOM 1261 CB ASP A 84 3.146 6.648 10.300 1.00 0.62 C ATOM 1262 CG ASP A 84 3.756 7.895 10.908 1.00 1.16 C ATOM 1263 OD1 ASP A 84 4.792 7.767 11.601 1.00 1.89 O ATOM 1264 OD2 ASP A 84 3.182 8.990 10.748 1.00 1.28 O ATOM 0 H ASP A 84 5.625 6.355 10.059 1.00 0.39 H new ATOM 0 HA ASP A 84 3.281 5.319 8.642 1.00 0.41 H new ATOM 0 HB2 ASP A 84 2.094 6.838 10.088 1.00 0.62 H new ATOM 0 HB3 ASP A 84 3.183 5.843 11.034 1.00 0.62 H new ATOM 1269 N MET A 85 3.204 6.803 6.792 1.00 0.36 N ATOM 1270 CA MET A 85 3.165 7.626 5.602 1.00 0.46 C ATOM 1271 C MET A 85 1.770 8.168 5.363 1.00 0.36 C ATOM 1272 O MET A 85 0.881 7.455 4.903 1.00 0.56 O ATOM 1273 CB MET A 85 3.608 6.824 4.378 1.00 0.76 C ATOM 1274 CG MET A 85 4.911 6.078 4.580 1.00 0.49 C ATOM 1275 SD MET A 85 6.185 7.116 5.311 1.00 1.01 S ATOM 1276 CE MET A 85 7.579 6.014 5.243 1.00 0.44 C ATOM 0 H MET A 85 2.751 5.895 6.689 1.00 0.36 H new ATOM 0 HA MET A 85 3.850 8.460 5.756 1.00 0.46 H new ATOM 0 HB2 MET A 85 2.826 6.109 4.120 1.00 0.76 H new ATOM 0 HB3 MET A 85 3.714 7.500 3.530 1.00 0.76 H new ATOM 0 HG2 MET A 85 4.737 5.214 5.221 1.00 0.49 H new ATOM 0 HG3 MET A 85 5.262 5.697 3.621 1.00 0.49 H new ATOM 0 HE1 MET A 85 8.330 6.332 5.966 1.00 0.44 H new ATOM 0 HE2 MET A 85 7.254 5.001 5.479 1.00 0.44 H new ATOM 0 HE3 MET A 85 8.009 6.033 4.242 1.00 0.44 H new ATOM 1286 N THR A 86 1.584 9.424 5.683 1.00 0.31 N ATOM 1287 CA THR A 86 0.352 10.109 5.371 1.00 0.35 C ATOM 1288 C THR A 86 0.573 11.084 4.233 1.00 0.46 C ATOM 1289 O THR A 86 -0.366 11.499 3.551 1.00 1.05 O ATOM 1290 CB THR A 86 -0.164 10.878 6.590 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.913 11.619 7.182 1.00 0.47 O ATOM 1292 CG2 THR A 86 -0.751 9.928 7.609 1.00 0.37 C ATOM 0 H THR A 86 2.276 9.998 6.164 1.00 0.31 H new ATOM 0 HA THR A 86 -0.386 9.361 5.080 1.00 0.35 H new ATOM 0 HB THR A 86 -0.946 11.565 6.265 1.00 0.36 H new ATOM 0 HG1 THR A 86 0.581 12.112 7.961 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.112 10.494 8.468 1.00 0.37 H new ATOM 0 HG22 THR A 86 -1.580 9.380 7.161 1.00 0.37 H new ATOM 0 HG23 THR A 86 0.015 9.224 7.934 1.00 0.37 H new ATOM 1300 N MET A 87 1.831 11.450 4.038 1.00 0.56 N ATOM 1301 CA MET A 87 2.169 12.499 3.097 1.00 0.65 C ATOM 1302 C MET A 87 3.476 12.210 2.369 1.00 0.76 C ATOM 1303 O MET A 87 3.537 12.354 1.168 1.00 1.49 O ATOM 1304 CB MET A 87 2.311 13.844 3.823 1.00 0.84 C ATOM 1305 CG MET A 87 1.626 13.912 5.184 1.00 0.97 C ATOM 1306 SD MET A 87 1.864 15.501 6.002 1.00 1.36 S ATOM 1307 CE MET A 87 1.190 15.152 7.624 1.00 1.62 C ATOM 0 H MET A 87 2.630 11.036 4.518 1.00 0.56 H new ATOM 0 HA MET A 87 1.359 12.541 2.369 1.00 0.65 H new ATOM 0 HB2 MET A 87 3.371 14.060 3.955 1.00 0.84 H new ATOM 0 HB3 MET A 87 1.903 14.629 3.187 1.00 0.84 H new ATOM 0 HG2 MET A 87 0.559 13.728 5.059 1.00 0.97 H new ATOM 0 HG3 MET A 87 2.014 13.118 5.822 1.00 0.97 H new ATOM 0 HE1 MET A 87 1.266 16.042 8.249 1.00 1.62 H new ATOM 0 HE2 MET A 87 0.143 14.864 7.529 1.00 1.62 H new ATOM 0 HE3 MET A 87 1.750 14.338 8.083 1.00 1.62 H new ATOM 1317 N VAL A 88 4.479 11.739 3.115 1.00 0.40 N ATOM 1318 CA VAL A 88 5.906 11.821 2.742 1.00 0.45 C ATOM 1319 C VAL A 88 6.233 11.338 1.308 1.00 0.36 C ATOM 1320 O VAL A 88 5.423 10.724 0.641 1.00 0.39 O ATOM 1321 CB VAL A 88 6.743 11.049 3.771 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.765 9.568 3.449 1.00 0.72 C ATOM 1323 CG2 VAL A 88 8.143 11.634 3.884 1.00 1.09 C ATOM 0 H VAL A 88 4.326 11.280 4.013 1.00 0.40 H new ATOM 0 HA VAL A 88 6.161 12.881 2.746 1.00 0.45 H new ATOM 0 HB VAL A 88 6.273 11.157 4.748 1.00 0.60 H new ATOM 0 HG11 VAL A 88 7.364 9.043 4.193 1.00 0.72 H new ATOM 0 HG12 VAL A 88 5.747 9.178 3.462 1.00 0.72 H new ATOM 0 HG13 VAL A 88 7.199 9.417 2.461 1.00 0.72 H new ATOM 0 HG21 VAL A 88 8.715 11.069 4.620 1.00 1.09 H new ATOM 0 HG22 VAL A 88 8.640 11.577 2.916 1.00 1.09 H new ATOM 0 HG23 VAL A 88 8.078 12.676 4.198 1.00 1.09 H new ATOM 1333 N THR A 89 7.435 11.669 0.832 1.00 0.31 N ATOM 1334 CA THR A 89 7.855 11.383 -0.525 1.00 0.28 C ATOM 1335 C THR A 89 7.728 9.903 -0.903 1.00 0.26 C ATOM 1336 O THR A 89 7.802 9.014 -0.053 1.00 0.26 O ATOM 1337 CB THR A 89 9.304 11.875 -0.731 1.00 0.31 C ATOM 1338 OG1 THR A 89 10.194 11.193 0.155 1.00 0.32 O ATOM 1339 CG2 THR A 89 9.385 13.371 -0.469 1.00 0.35 C ATOM 0 H THR A 89 8.144 12.147 1.389 1.00 0.31 H new ATOM 0 HA THR A 89 7.179 11.920 -1.190 1.00 0.28 H new ATOM 0 HB THR A 89 9.596 11.666 -1.760 1.00 0.31 H new ATOM 0 HG1 THR A 89 11.109 11.514 0.011 1.00 0.32 H new ATOM 0 HG21 THR A 89 10.410 13.711 -0.616 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.725 13.897 -1.159 1.00 0.35 H new ATOM 0 HG23 THR A 89 9.078 13.578 0.556 1.00 0.35 H new ATOM 1347 N HIS A 90 7.526 9.658 -2.199 1.00 0.26 N ATOM 1348 CA HIS A 90 7.383 8.304 -2.726 1.00 0.25 C ATOM 1349 C HIS A 90 8.615 7.501 -2.427 1.00 0.27 C ATOM 1350 O HIS A 90 8.544 6.331 -2.067 1.00 0.30 O ATOM 1351 CB HIS A 90 7.159 8.354 -4.229 1.00 0.25 C ATOM 1352 CG HIS A 90 7.015 7.016 -4.901 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.334 6.818 -6.226 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.555 5.817 -4.448 1.00 0.27 C ATOM 1355 CE1 HIS A 90 7.067 5.571 -6.556 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.600 4.944 -5.501 1.00 0.32 N ATOM 0 H HIS A 90 7.458 10.389 -2.907 1.00 0.26 H new ATOM 0 HA HIS A 90 6.524 7.831 -2.249 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.262 8.940 -4.427 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.994 8.884 -4.687 1.00 0.25 H new ATOM 0 HD2 HIS A 90 6.218 5.596 -3.446 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.209 5.136 -7.534 1.00 0.35 H new ATOM 0 HE2 HIS A 90 6.317 3.965 -5.471 1.00 0.32 H new ATOM 1365 N ASP A 91 9.737 8.159 -2.579 1.00 0.31 N ATOM 1366 CA ASP A 91 11.026 7.525 -2.326 1.00 0.34 C ATOM 1367 C ASP A 91 11.161 7.215 -0.865 1.00 0.32 C ATOM 1368 O ASP A 91 11.786 6.228 -0.497 1.00 0.33 O ATOM 1369 CB ASP A 91 12.206 8.398 -2.745 1.00 0.41 C ATOM 1370 CG ASP A 91 12.538 8.280 -4.218 1.00 1.03 C ATOM 1371 OD1 ASP A 91 11.625 8.485 -5.051 1.00 1.45 O ATOM 1372 OD2 ASP A 91 13.711 8.012 -4.553 1.00 1.67 O ATOM 0 H ASP A 91 9.794 9.133 -2.876 1.00 0.31 H new ATOM 0 HA ASP A 91 11.050 6.615 -2.925 1.00 0.34 H new ATOM 0 HB2 ASP A 91 11.981 9.439 -2.511 1.00 0.41 H new ATOM 0 HB3 ASP A 91 13.082 8.121 -2.158 1.00 0.41 H new ATOM 1377 N GLN A 92 10.561 8.054 -0.031 1.00 0.31 N ATOM 1378 CA GLN A 92 10.658 7.879 1.389 1.00 0.32 C ATOM 1379 C GLN A 92 10.046 6.548 1.762 1.00 0.29 C ATOM 1380 O GLN A 92 10.680 5.706 2.395 1.00 0.31 O ATOM 1381 CB GLN A 92 9.917 8.996 2.091 1.00 0.36 C ATOM 1382 CG GLN A 92 9.859 8.816 3.578 1.00 0.42 C ATOM 1383 CD GLN A 92 11.161 9.136 4.263 1.00 0.57 C ATOM 1384 OE1 GLN A 92 12.021 8.273 4.439 1.00 0.77 O ATOM 1385 NE2 GLN A 92 11.299 10.382 4.670 1.00 0.62 N ATOM 0 H GLN A 92 10.006 8.858 -0.325 1.00 0.31 H new ATOM 0 HA GLN A 92 11.705 7.901 1.693 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.402 9.945 1.864 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.902 9.055 1.698 1.00 0.36 H new ATOM 0 HG2 GLN A 92 9.075 9.454 3.985 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.581 7.786 3.803 1.00 0.42 H new ATOM 0 HE21 GLN A 92 10.556 11.060 4.499 1.00 0.62 H new ATOM 0 HE22 GLN A 92 12.149 10.669 5.156 1.00 0.62 H new ATOM 1394 N ALA A 93 8.822 6.344 1.304 1.00 0.27 N ATOM 1395 CA ALA A 93 8.088 5.144 1.641 1.00 0.28 C ATOM 1396 C ALA A 93 8.614 3.955 0.856 1.00 0.28 C ATOM 1397 O ALA A 93 8.669 2.840 1.367 1.00 0.33 O ATOM 1398 CB ALA A 93 6.603 5.345 1.405 1.00 0.33 C ATOM 0 H ALA A 93 8.320 6.994 0.700 1.00 0.27 H new ATOM 0 HA ALA A 93 8.234 4.934 2.701 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.067 4.432 1.664 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.244 6.165 2.026 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.430 5.582 0.355 1.00 0.33 H new ATOM 1404 N ARG A 94 9.032 4.205 -0.379 1.00 0.27 N ATOM 1405 CA ARG A 94 9.566 3.148 -1.224 1.00 0.30 C ATOM 1406 C ARG A 94 10.843 2.596 -0.613 1.00 0.33 C ATOM 1407 O ARG A 94 11.112 1.400 -0.678 1.00 0.37 O ATOM 1408 CB ARG A 94 9.866 3.668 -2.625 1.00 0.34 C ATOM 1409 CG ARG A 94 10.003 2.571 -3.666 1.00 0.43 C ATOM 1410 CD ARG A 94 10.660 3.089 -4.936 1.00 0.57 C ATOM 1411 NE ARG A 94 12.002 3.620 -4.685 1.00 1.04 N ATOM 1412 CZ ARG A 94 12.367 4.874 -4.947 1.00 1.41 C ATOM 1413 NH1 ARG A 94 11.519 5.702 -5.554 1.00 1.57 N ATOM 1414 NH2 ARG A 94 13.588 5.290 -4.629 1.00 2.10 N ATOM 0 H ARG A 94 9.011 5.127 -0.815 1.00 0.27 H new ATOM 0 HA ARG A 94 8.816 2.360 -1.295 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.070 4.348 -2.929 1.00 0.34 H new ATOM 0 HB3 ARG A 94 10.788 4.248 -2.598 1.00 0.34 H new ATOM 0 HG2 ARG A 94 10.594 1.751 -3.257 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.019 2.167 -3.903 1.00 0.43 H new ATOM 0 HD2 ARG A 94 10.720 2.283 -5.667 1.00 0.57 H new ATOM 0 HD3 ARG A 94 10.038 3.870 -5.373 1.00 0.57 H new ATOM 0 HE ARG A 94 12.699 2.992 -4.285 1.00 1.04 H new ATOM 0 HH11 ARG A 94 10.589 5.376 -5.819 1.00 1.57 H new ATOM 0 HH12 ARG A 94 11.799 6.662 -5.754 1.00 1.57 H new ATOM 0 HH21 ARG A 94 14.245 4.649 -4.184 1.00 2.10 H new ATOM 0 HH22 ARG A 94 13.868 6.250 -4.829 1.00 2.10 H new ATOM 1428 N LYS A 95 11.625 3.482 -0.011 1.00 0.33 N ATOM 1429 CA LYS A 95 12.853 3.108 0.632 1.00 0.40 C ATOM 1430 C LYS A 95 12.553 2.287 1.883 1.00 0.42 C ATOM 1431 O LYS A 95 13.284 1.360 2.224 1.00 0.46 O ATOM 1432 CB LYS A 95 13.628 4.388 0.966 1.00 0.46 C ATOM 1433 CG LYS A 95 14.962 4.180 1.645 1.00 0.64 C ATOM 1434 CD LYS A 95 14.798 3.976 3.147 1.00 0.56 C ATOM 1435 CE LYS A 95 15.952 3.192 3.744 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.242 3.937 3.696 1.00 0.96 N ATOM 0 H LYS A 95 11.415 4.479 0.039 1.00 0.33 H new ATOM 0 HA LYS A 95 13.462 2.487 -0.025 1.00 0.40 H new ATOM 0 HB2 LYS A 95 13.792 4.944 0.043 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.006 5.012 1.608 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.461 3.313 1.211 1.00 0.64 H new ATOM 0 HG3 LYS A 95 15.603 5.042 1.462 1.00 0.64 H new ATOM 0 HD2 LYS A 95 14.726 4.946 3.639 1.00 0.56 H new ATOM 0 HD3 LYS A 95 13.863 3.450 3.341 1.00 0.56 H new ATOM 0 HE2 LYS A 95 15.719 2.944 4.780 1.00 0.60 H new ATOM 0 HE3 LYS A 95 16.062 2.250 3.207 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 17.995 3.355 4.116 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.482 4.152 2.707 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.151 4.824 4.231 1.00 0.96 H new ATOM 1450 N ARG A 96 11.473 2.642 2.568 1.00 0.45 N ATOM 1451 CA ARG A 96 11.108 1.963 3.802 1.00 0.51 C ATOM 1452 C ARG A 96 10.491 0.591 3.526 1.00 0.57 C ATOM 1453 O ARG A 96 10.562 -0.300 4.372 1.00 0.72 O ATOM 1454 CB ARG A 96 10.150 2.813 4.642 1.00 0.55 C ATOM 1455 CG ARG A 96 10.632 4.237 4.872 1.00 0.59 C ATOM 1456 CD ARG A 96 12.012 4.291 5.515 1.00 0.72 C ATOM 1457 NE ARG A 96 12.571 5.642 5.468 1.00 1.98 N ATOM 1458 CZ ARG A 96 13.661 6.036 6.131 1.00 2.35 C ATOM 1459 NH1 ARG A 96 14.320 5.196 6.919 1.00 1.58 N ATOM 1460 NH2 ARG A 96 14.089 7.283 6.005 1.00 3.57 N ATOM 0 H ARG A 96 10.839 3.392 2.291 1.00 0.45 H new ATOM 0 HA ARG A 96 12.027 1.816 4.369 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.179 2.844 4.148 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.002 2.329 5.608 1.00 0.55 H new ATOM 0 HG2 ARG A 96 10.658 4.766 3.919 1.00 0.59 H new ATOM 0 HG3 ARG A 96 9.918 4.760 5.508 1.00 0.59 H new ATOM 0 HD2 ARG A 96 11.945 3.959 6.551 1.00 0.72 H new ATOM 0 HD3 ARG A 96 12.681 3.601 5.002 1.00 0.72 H new ATOM 0 HE ARG A 96 12.094 6.332 4.888 1.00 1.98 H new ATOM 0 HH11 ARG A 96 13.995 4.235 7.025 1.00 1.58 H new ATOM 0 HH12 ARG A 96 15.151 5.512 7.419 1.00 1.58 H new ATOM 0 HH21 ARG A 96 13.587 7.936 5.404 1.00 3.57 H new ATOM 0 HH22 ARG A 96 14.921 7.590 6.509 1.00 3.57 H new ATOM 1474 N LEU A 97 9.889 0.420 2.349 1.00 0.52 N ATOM 1475 CA LEU A 97 9.273 -0.858 1.999 1.00 0.57 C ATOM 1476 C LEU A 97 10.265 -1.804 1.335 1.00 0.64 C ATOM 1477 O LEU A 97 10.088 -3.023 1.389 1.00 0.96 O ATOM 1478 CB LEU A 97 8.029 -0.661 1.114 1.00 0.70 C ATOM 1479 CG LEU A 97 8.213 0.149 -0.174 1.00 0.88 C ATOM 1480 CD1 LEU A 97 8.835 -0.697 -1.274 1.00 1.45 C ATOM 1481 CD2 LEU A 97 6.881 0.721 -0.632 1.00 1.65 C ATOM 0 H LEU A 97 9.815 1.140 1.631 1.00 0.52 H new ATOM 0 HA LEU A 97 8.953 -1.320 2.933 1.00 0.57 H new ATOM 0 HB2 LEU A 97 7.646 -1.645 0.844 1.00 0.70 H new ATOM 0 HB3 LEU A 97 7.260 -0.174 1.714 1.00 0.70 H new ATOM 0 HG LEU A 97 8.895 0.972 0.040 1.00 0.88 H new ATOM 0 HD11 LEU A 97 8.952 -0.094 -2.174 1.00 1.45 H new ATOM 0 HD12 LEU A 97 9.811 -1.057 -0.948 1.00 1.45 H new ATOM 0 HD13 LEU A 97 8.188 -1.547 -1.489 1.00 1.45 H new ATOM 0 HD21 LEU A 97 7.027 1.294 -1.548 1.00 1.65 H new ATOM 0 HD22 LEU A 97 6.181 -0.093 -0.821 1.00 1.65 H new ATOM 0 HD23 LEU A 97 6.479 1.373 0.144 1.00 1.65 H new ATOM 1493 N THR A 98 11.279 -1.247 0.685 1.00 0.54 N ATOM 1494 CA THR A 98 12.329 -2.047 0.078 1.00 0.65 C ATOM 1495 C THR A 98 13.646 -1.292 0.101 1.00 0.74 C ATOM 1496 O THR A 98 13.833 -0.298 -0.601 1.00 1.53 O ATOM 1497 CB THR A 98 11.984 -2.464 -1.365 1.00 0.92 C ATOM 1498 OG1 THR A 98 10.737 -3.173 -1.376 1.00 1.15 O ATOM 1499 CG2 THR A 98 13.076 -3.345 -1.958 1.00 1.12 C ATOM 0 H THR A 98 11.394 -0.241 0.566 1.00 0.54 H new ATOM 0 HA THR A 98 12.422 -2.959 0.668 1.00 0.65 H new ATOM 0 HB THR A 98 11.904 -1.562 -1.972 1.00 0.92 H new ATOM 0 HG1 THR A 98 10.799 -3.934 -1.991 1.00 1.15 H new ATOM 0 HG21 THR A 98 12.806 -3.624 -2.976 1.00 1.12 H new ATOM 0 HG22 THR A 98 14.019 -2.798 -1.970 1.00 1.12 H new ATOM 0 HG23 THR A 98 13.186 -4.245 -1.353 1.00 1.12 H new ATOM 1507 N LYS A 99 14.543 -1.779 0.931 1.00 0.79 N ATOM 1508 CA LYS A 99 15.828 -1.140 1.146 1.00 1.12 C ATOM 1509 C LYS A 99 16.959 -2.123 0.942 1.00 1.36 C ATOM 1510 O LYS A 99 18.090 -1.892 1.371 1.00 2.28 O ATOM 1511 CB LYS A 99 15.875 -0.549 2.551 1.00 1.29 C ATOM 1512 CG LYS A 99 15.742 -1.569 3.662 1.00 1.18 C ATOM 1513 CD LYS A 99 15.380 -0.902 4.980 1.00 1.56 C ATOM 1514 CE LYS A 99 13.961 -0.341 4.951 1.00 1.98 C ATOM 1515 NZ LYS A 99 12.928 -1.409 5.046 1.00 2.72 N ATOM 0 H LYS A 99 14.404 -2.629 1.477 1.00 0.79 H new ATOM 0 HA LYS A 99 15.950 -0.338 0.418 1.00 1.12 H new ATOM 0 HB2 LYS A 99 16.816 -0.014 2.676 1.00 1.29 H new ATOM 0 HB3 LYS A 99 15.076 0.185 2.650 1.00 1.29 H new ATOM 0 HG2 LYS A 99 14.977 -2.300 3.399 1.00 1.18 H new ATOM 0 HG3 LYS A 99 16.679 -2.114 3.773 1.00 1.18 H new ATOM 0 HD2 LYS A 99 15.470 -1.624 5.791 1.00 1.56 H new ATOM 0 HD3 LYS A 99 16.086 -0.098 5.188 1.00 1.56 H new ATOM 0 HE2 LYS A 99 13.833 0.359 5.776 1.00 1.98 H new ATOM 0 HE3 LYS A 99 13.814 0.222 4.029 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 11.988 -0.975 5.142 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 12.953 -1.994 4.187 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 13.120 -2.005 5.876 1.00 2.72 H new ATOM 1529 N ARG A 100 16.630 -3.225 0.287 1.00 1.04 N ATOM 1530 CA ARG A 100 17.603 -4.241 -0.082 1.00 1.17 C ATOM 1531 C ARG A 100 18.183 -4.946 1.146 1.00 1.12 C ATOM 1532 O ARG A 100 19.090 -5.766 1.022 1.00 1.39 O ATOM 1533 CB ARG A 100 18.739 -3.643 -0.924 1.00 1.55 C ATOM 1534 CG ARG A 100 18.269 -2.933 -2.182 1.00 2.10 C ATOM 1535 CD ARG A 100 19.441 -2.413 -2.997 1.00 2.50 C ATOM 1536 NE ARG A 100 19.001 -1.599 -4.128 1.00 3.10 N ATOM 1537 CZ ARG A 100 19.598 -1.589 -5.319 1.00 3.59 C ATOM 1538 NH1 ARG A 100 20.661 -2.355 -5.542 1.00 3.60 N ATOM 1539 NH2 ARG A 100 19.132 -0.809 -6.285 1.00 4.38 N ATOM 0 H ARG A 100 15.677 -3.441 -0.005 1.00 1.04 H new ATOM 0 HA ARG A 100 17.072 -4.981 -0.681 1.00 1.17 H new ATOM 0 HB2 ARG A 100 19.300 -2.939 -0.310 1.00 1.55 H new ATOM 0 HB3 ARG A 100 19.427 -4.440 -1.205 1.00 1.55 H new ATOM 0 HG2 ARG A 100 17.678 -3.619 -2.789 1.00 2.10 H new ATOM 0 HG3 ARG A 100 17.616 -2.103 -1.911 1.00 2.10 H new ATOM 0 HD2 ARG A 100 20.094 -1.821 -2.356 1.00 2.50 H new ATOM 0 HD3 ARG A 100 20.030 -3.254 -3.363 1.00 2.50 H new ATOM 0 HE ARG A 100 18.185 -1.001 -3.997 1.00 3.10 H new ATOM 0 HH11 ARG A 100 21.023 -2.954 -4.800 1.00 3.60 H new ATOM 0 HH12 ARG A 100 21.115 -2.344 -6.455 1.00 3.60 H new ATOM 0 HH21 ARG A 100 18.318 -0.218 -6.115 1.00 4.38 H new ATOM 0 HH22 ARG A 100 19.588 -0.800 -7.198 1.00 4.38 H new ATOM 1553 N SER A 101 17.651 -4.640 2.325 1.00 1.05 N ATOM 1554 CA SER A 101 18.178 -5.220 3.557 1.00 1.37 C ATOM 1555 C SER A 101 17.067 -5.443 4.574 1.00 1.22 C ATOM 1556 O SER A 101 16.973 -4.740 5.580 1.00 1.64 O ATOM 1557 CB SER A 101 19.276 -4.316 4.128 1.00 1.90 C ATOM 1558 OG SER A 101 19.008 -2.947 3.851 1.00 2.51 O ATOM 0 H SER A 101 16.866 -4.002 2.454 1.00 1.05 H new ATOM 0 HA SER A 101 18.611 -6.194 3.329 1.00 1.37 H new ATOM 0 HB2 SER A 101 19.350 -4.464 5.205 1.00 1.90 H new ATOM 0 HB3 SER A 101 20.239 -4.595 3.701 1.00 1.90 H new ATOM 0 HG SER A 101 19.722 -2.391 4.227 1.00 2.51 H new ATOM 1564 N GLU A 102 16.210 -6.411 4.286 1.00 1.06 N ATOM 1565 CA GLU A 102 15.026 -6.651 5.090 1.00 1.19 C ATOM 1566 C GLU A 102 14.753 -8.140 5.214 1.00 0.93 C ATOM 1567 O GLU A 102 15.107 -8.920 4.331 1.00 1.34 O ATOM 1568 CB GLU A 102 13.839 -5.964 4.435 1.00 1.63 C ATOM 1569 CG GLU A 102 14.098 -4.499 4.170 1.00 2.12 C ATOM 1570 CD GLU A 102 13.245 -3.930 3.070 1.00 2.70 C ATOM 1571 OE1 GLU A 102 13.614 -4.093 1.890 1.00 3.40 O ATOM 1572 OE2 GLU A 102 12.236 -3.280 3.385 1.00 2.95 O ATOM 0 H GLU A 102 16.316 -7.046 3.495 1.00 1.06 H new ATOM 0 HA GLU A 102 15.186 -6.249 6.090 1.00 1.19 H new ATOM 0 HB2 GLU A 102 13.605 -6.465 3.496 1.00 1.63 H new ATOM 0 HB3 GLU A 102 12.964 -6.066 5.077 1.00 1.63 H new ATOM 0 HG2 GLU A 102 13.920 -3.935 5.086 1.00 2.12 H new ATOM 0 HG3 GLU A 102 15.148 -4.365 3.911 1.00 2.12 H new ATOM 1579 N GLU A 103 14.122 -8.520 6.315 1.00 0.74 N ATOM 1580 CA GLU A 103 13.744 -9.908 6.545 1.00 0.68 C ATOM 1581 C GLU A 103 12.226 -10.067 6.497 1.00 0.54 C ATOM 1582 O GLU A 103 11.713 -11.124 6.134 1.00 0.61 O ATOM 1583 CB GLU A 103 14.296 -10.381 7.892 1.00 0.95 C ATOM 1584 CG GLU A 103 13.961 -9.456 9.054 1.00 1.37 C ATOM 1585 CD GLU A 103 14.716 -9.814 10.316 1.00 2.16 C ATOM 1586 OE1 GLU A 103 14.268 -10.724 11.046 1.00 2.68 O ATOM 1587 OE2 GLU A 103 15.755 -9.185 10.589 1.00 2.58 O ATOM 0 H GLU A 103 13.859 -7.883 7.067 1.00 0.74 H new ATOM 0 HA GLU A 103 14.172 -10.525 5.755 1.00 0.68 H new ATOM 0 HB2 GLU A 103 13.903 -11.375 8.106 1.00 0.95 H new ATOM 0 HB3 GLU A 103 15.379 -10.476 7.817 1.00 0.95 H new ATOM 0 HG2 GLU A 103 14.193 -8.428 8.775 1.00 1.37 H new ATOM 0 HG3 GLU A 103 12.890 -9.499 9.251 1.00 1.37 H new ATOM 1594 N VAL A 104 11.518 -9.005 6.862 1.00 0.40 N ATOM 1595 CA VAL A 104 10.062 -8.987 6.815 1.00 0.33 C ATOM 1596 C VAL A 104 9.575 -7.559 6.569 1.00 0.29 C ATOM 1597 O VAL A 104 10.203 -6.602 7.016 1.00 0.34 O ATOM 1598 CB VAL A 104 9.436 -9.565 8.113 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.946 -8.839 9.344 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.917 -9.515 8.052 1.00 0.37 C ATOM 0 H VAL A 104 11.935 -8.136 7.197 1.00 0.40 H new ATOM 0 HA VAL A 104 9.739 -9.626 5.993 1.00 0.33 H new ATOM 0 HB VAL A 104 9.742 -10.608 8.190 1.00 0.38 H new ATOM 0 HG11 VAL A 104 9.488 -9.268 10.235 1.00 0.44 H new ATOM 0 HG12 VAL A 104 11.029 -8.944 9.406 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.688 -7.782 9.276 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.502 -9.925 8.973 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.591 -8.481 7.936 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.567 -10.103 7.203 1.00 0.37 H new ATOM 1610 N VAL A 105 8.470 -7.418 5.845 1.00 0.28 N ATOM 1611 CA VAL A 105 8.014 -6.110 5.404 1.00 0.28 C ATOM 1612 C VAL A 105 6.585 -5.842 5.790 1.00 0.26 C ATOM 1613 O VAL A 105 5.660 -6.562 5.420 1.00 0.26 O ATOM 1614 CB VAL A 105 8.194 -5.925 3.895 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.400 -4.736 3.377 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.657 -5.741 3.622 1.00 0.46 C ATOM 0 H VAL A 105 7.876 -8.194 5.553 1.00 0.28 H new ATOM 0 HA VAL A 105 8.642 -5.383 5.919 1.00 0.28 H new ATOM 0 HB VAL A 105 7.817 -6.805 3.375 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.553 -4.637 2.302 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.340 -4.890 3.580 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.737 -3.828 3.877 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.813 -5.607 2.552 1.00 0.46 H new ATOM 0 HG22 VAL A 105 10.019 -4.861 4.155 1.00 0.46 H new ATOM 0 HG23 VAL A 105 10.204 -6.621 3.961 1.00 0.46 H new ATOM 1626 N ARG A 106 6.449 -4.796 6.562 1.00 0.29 N ATOM 1627 CA ARG A 106 5.197 -4.396 7.142 1.00 0.28 C ATOM 1628 C ARG A 106 4.563 -3.271 6.343 1.00 0.26 C ATOM 1629 O ARG A 106 5.239 -2.325 5.947 1.00 0.32 O ATOM 1630 CB ARG A 106 5.458 -3.966 8.572 1.00 0.35 C ATOM 1631 CG ARG A 106 6.011 -5.087 9.443 1.00 0.43 C ATOM 1632 CD ARG A 106 7.488 -5.374 9.162 1.00 0.54 C ATOM 1633 NE ARG A 106 8.197 -5.786 10.372 1.00 0.81 N ATOM 1634 CZ ARG A 106 9.407 -5.349 10.726 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.092 -4.533 9.929 1.00 1.76 N ATOM 1636 NH2 ARG A 106 9.940 -5.741 11.878 1.00 1.46 N ATOM 0 H ARG A 106 7.226 -4.184 6.810 1.00 0.29 H new ATOM 0 HA ARG A 106 4.496 -5.231 7.127 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.162 -3.134 8.572 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.530 -3.599 9.010 1.00 0.35 H new ATOM 0 HG2 ARG A 106 5.889 -4.820 10.493 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.430 -5.994 9.275 1.00 0.43 H new ATOM 0 HD2 ARG A 106 7.570 -6.157 8.408 1.00 0.54 H new ATOM 0 HD3 ARG A 106 7.960 -4.483 8.749 1.00 0.54 H new ATOM 0 HE ARG A 106 7.735 -6.454 10.989 1.00 0.81 H new ATOM 0 HH11 ARG A 106 9.693 -4.236 9.039 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.016 -4.204 10.208 1.00 1.76 H new ATOM 0 HH21 ARG A 106 9.424 -6.374 12.489 1.00 1.46 H new ATOM 0 HH22 ARG A 106 10.865 -5.409 12.151 1.00 1.46 H new ATOM 1650 N LEU A 107 3.278 -3.378 6.095 1.00 0.24 N ATOM 1651 CA LEU A 107 2.554 -2.352 5.362 1.00 0.24 C ATOM 1652 C LEU A 107 1.243 -2.010 6.069 1.00 0.21 C ATOM 1653 O LEU A 107 0.543 -2.902 6.556 1.00 0.28 O ATOM 1654 CB LEU A 107 2.270 -2.832 3.933 1.00 0.37 C ATOM 1655 CG LEU A 107 1.813 -1.750 2.954 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.945 -0.775 2.680 1.00 0.98 C ATOM 1657 CD2 LEU A 107 1.319 -2.372 1.655 1.00 1.12 C ATOM 0 H LEU A 107 2.705 -4.169 6.390 1.00 0.24 H new ATOM 0 HA LEU A 107 3.170 -1.454 5.322 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.173 -3.297 3.538 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.505 -3.607 3.974 1.00 0.37 H new ATOM 0 HG LEU A 107 0.985 -1.204 3.406 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.605 -0.010 1.981 1.00 0.98 H new ATOM 0 HD12 LEU A 107 3.253 -0.303 3.613 1.00 0.98 H new ATOM 0 HD13 LEU A 107 3.790 -1.311 2.248 1.00 0.98 H new ATOM 0 HD21 LEU A 107 0.999 -1.584 0.973 1.00 1.12 H new ATOM 0 HD22 LEU A 107 2.125 -2.944 1.196 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.479 -3.034 1.865 1.00 1.12 H new ATOM 1669 N LEU A 108 0.915 -0.728 6.139 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.370 -0.298 6.634 1.00 0.15 C ATOM 1671 C LEU A 108 -1.084 0.380 5.494 1.00 0.15 C ATOM 1672 O LEU A 108 -0.571 1.336 4.937 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.201 0.659 7.811 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.494 1.269 8.350 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.477 0.165 8.718 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -1.194 2.133 9.562 1.00 0.26 C ATOM 0 H LEU A 108 1.532 0.033 5.855 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.947 -1.150 6.994 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.295 0.126 8.622 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.463 1.468 7.507 1.00 0.19 H new ATOM 0 HG LEU A 108 -1.942 1.893 7.577 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.396 0.609 9.101 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.703 -0.430 7.834 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -2.036 -0.474 9.483 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -2.121 2.564 9.940 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.734 1.523 10.339 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.511 2.934 9.278 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.233 -0.126 5.117 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.914 0.394 3.957 1.00 0.21 C ATOM 1690 C VAL A 109 -4.353 0.697 4.276 1.00 0.22 C ATOM 1691 O VAL A 109 -4.948 0.095 5.165 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.833 -0.602 2.776 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -4.136 -1.356 2.567 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -2.412 0.104 1.509 1.00 0.77 C ATOM 0 H VAL A 109 -2.713 -0.891 5.592 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.417 1.319 3.666 1.00 0.21 H new ATOM 0 HB VAL A 109 -2.074 -1.342 3.032 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -4.028 -2.042 1.727 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -4.379 -1.920 3.468 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.937 -0.647 2.356 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -2.361 -0.615 0.691 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -3.139 0.879 1.266 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -1.432 0.558 1.654 1.00 0.77 H new ATOM 1704 N THR A 110 -4.899 1.642 3.563 1.00 0.22 N ATOM 1705 CA THR A 110 -6.321 1.859 3.603 1.00 0.25 C ATOM 1706 C THR A 110 -6.972 1.147 2.432 1.00 0.26 C ATOM 1707 O THR A 110 -6.707 1.464 1.268 1.00 0.30 O ATOM 1708 CB THR A 110 -6.672 3.337 3.518 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.548 4.140 3.889 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.832 3.647 4.422 1.00 0.33 C ATOM 0 H THR A 110 -4.385 2.273 2.949 1.00 0.22 H new ATOM 0 HA THR A 110 -6.686 1.469 4.553 1.00 0.25 H new ATOM 0 HB THR A 110 -6.947 3.566 2.488 1.00 0.30 H new ATOM 0 HG1 THR A 110 -5.691 4.508 4.786 1.00 0.34 H new ATOM 0 HG21 THR A 110 -8.074 4.708 4.353 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.697 3.057 4.119 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.567 3.402 5.451 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.800 0.174 2.757 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.457 -0.655 1.776 1.00 0.37 C ATOM 1720 C ARG A 111 -9.893 -0.195 1.563 1.00 0.42 C ATOM 1721 O ARG A 111 -10.615 0.095 2.516 1.00 0.49 O ATOM 1722 CB ARG A 111 -8.429 -2.102 2.263 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.596 -2.928 1.781 1.00 0.47 C ATOM 1724 CD ARG A 111 -9.709 -4.231 2.549 1.00 0.58 C ATOM 1725 NE ARG A 111 -11.018 -4.854 2.342 1.00 1.06 N ATOM 1726 CZ ARG A 111 -11.733 -5.411 3.318 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -11.230 -5.509 4.541 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -12.947 -5.889 3.065 1.00 2.01 N ATOM 0 H ARG A 111 -8.036 -0.063 3.721 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.936 -0.576 0.822 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -7.502 -2.570 1.930 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -8.416 -2.109 3.353 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -10.518 -2.357 1.893 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -9.479 -3.140 0.718 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.923 -4.915 2.229 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -9.556 -4.045 3.612 1.00 0.58 H new ATOM 0 HE ARG A 111 -11.404 -4.862 1.398 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -10.293 -5.157 4.737 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -11.780 -5.936 5.286 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -13.332 -5.830 2.122 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -13.493 -6.315 3.813 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.296 -0.124 0.311 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.661 0.235 -0.031 1.00 0.71 C ATOM 1744 C GLN A 112 -12.348 -0.909 -0.751 1.00 0.89 C ATOM 1745 O GLN A 112 -12.608 -1.955 -0.160 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.712 1.524 -0.857 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.493 1.738 -1.727 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.307 2.290 -0.948 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -9.475 3.072 -0.016 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -8.105 1.865 -1.296 1.00 0.66 N ATOM 0 H GLN A 112 -9.696 -0.311 -0.492 1.00 0.56 H new ATOM 0 HA GLN A 112 -12.201 0.426 0.896 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.600 1.505 -1.489 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -11.819 2.373 -0.182 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -10.211 0.792 -2.189 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -10.744 2.425 -2.535 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -8.000 1.215 -2.075 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.283 2.187 -0.785 1.00 0.66 H new ATOM 1759 N SER A 113 -12.577 -0.750 -2.038 1.00 0.79 N ATOM 1760 CA SER A 113 -13.403 -1.683 -2.770 1.00 0.96 C ATOM 1761 C SER A 113 -12.589 -2.425 -3.826 1.00 0.89 C ATOM 1762 O SER A 113 -13.119 -2.876 -4.838 1.00 1.18 O ATOM 1763 CB SER A 113 -14.570 -0.914 -3.393 1.00 1.25 C ATOM 1764 OG SER A 113 -15.548 -1.784 -3.934 1.00 1.62 O ATOM 0 H SER A 113 -12.202 0.016 -2.597 1.00 0.79 H new ATOM 0 HA SER A 113 -13.795 -2.441 -2.091 1.00 0.96 H new ATOM 0 HB2 SER A 113 -15.029 -0.277 -2.637 1.00 1.25 H new ATOM 0 HB3 SER A 113 -14.194 -0.258 -4.178 1.00 1.25 H new ATOM 0 HG SER A 113 -15.107 -2.499 -4.438 1.00 1.62 H new ATOM 1770 N LEU A 114 -11.302 -2.587 -3.560 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.405 -3.268 -4.492 1.00 0.94 C ATOM 1772 C LEU A 114 -10.298 -4.759 -4.178 1.00 1.13 C ATOM 1773 O LEU A 114 -9.282 -5.379 -4.470 1.00 1.65 O ATOM 1774 CB LEU A 114 -9.010 -2.629 -4.464 1.00 0.90 C ATOM 1775 CG LEU A 114 -8.892 -1.266 -5.150 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -9.561 -1.313 -6.508 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -9.487 -0.164 -4.288 1.00 1.23 C ATOM 0 H LEU A 114 -10.851 -2.257 -2.707 1.00 0.90 H new ATOM 0 HA LEU A 114 -10.829 -3.159 -5.490 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.701 -2.520 -3.424 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -8.306 -3.315 -4.936 1.00 0.90 H new ATOM 0 HG LEU A 114 -7.835 -1.038 -5.288 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -9.473 -0.340 -6.991 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -9.077 -2.069 -7.126 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -10.615 -1.564 -6.386 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -9.389 0.793 -4.801 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -10.542 -0.372 -4.108 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -8.958 -0.121 -3.336 1.00 1.23 H new