USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 735 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 MET CE :methyl 153:sc= -3.89! (180deg=-6.27!) USER MOD Set 1.2: A 110 THR OG1 : rot 79:sc= 1.05 USER MOD Set 2.1: A 81 ASN : amide:sc= -2.96 K(o=-0.91,f=-6.2!) USER MOD Set 2.2: A 99 LYS NZ :NH3+ -148:sc= 2.04 (180deg=0.308) USER MOD Set 3.1: A 39 GLN :FLIP amide:sc= -8.35! C(o=-14!,f=-12!) USER MOD Set 3.2: A 90 HIS : no HE2:sc= -3.93! C(o=-12!,f=-17!) USER MOD Single : A 10 THR OG1 : rot 37:sc= 0.156 USER MOD Single : A 14 GLN :FLIP amide:sc= -2.94! C(o=-11!,f=-2.9!) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.232 F(o=-0.8,f=-0.23) USER MOD Single : A 20 LYS NZ :NH3+ 139:sc= 1.23 (180deg=0.957) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.115 F(o=-1.6!,f=-0.11) USER MOD Single : A 26 ASN : amide:sc= 1.13 K(o=1.1,f=-0.28) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0235 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.743 F(o=-2.7!,f=-0.74) USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0113) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.848 F(o=-1.6!,f=-0.85) USER MOD Single : A 85 MET CE :methyl -172:sc= -6.83! (180deg=-6.9!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.254 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 92 GLN : amide:sc= -2.02! C(o=-2!,f=-5.5!) USER MOD Single : A 95 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0103) USER MOD Single : A 98 THR OG1 : rot 74:sc= 0.0989 USER MOD Single : A 101 SER OG : rot 180:sc= 0.01 USER MOD Single : A 112 GLN :FLIP amide:sc= -2.52 F(o=-3.6!,f=-2.5) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -15.151 6.728 3.964 1.00 1.00 N ATOM 140 CA THR A 10 -14.841 5.666 4.882 1.00 1.07 C ATOM 141 C THR A 10 -14.044 4.587 4.180 1.00 0.92 C ATOM 142 O THR A 10 -14.568 3.586 3.692 1.00 0.99 O ATOM 143 CB THR A 10 -16.115 5.065 5.471 1.00 1.30 C ATOM 144 OG1 THR A 10 -16.923 6.103 6.038 1.00 2.09 O ATOM 145 CG2 THR A 10 -15.802 4.022 6.532 1.00 1.90 C ATOM 0 HA THR A 10 -14.247 6.083 5.695 1.00 1.07 H new ATOM 0 HB THR A 10 -16.658 4.572 4.664 1.00 1.30 H new ATOM 0 HG1 THR A 10 -16.861 6.907 5.481 1.00 2.09 H new ATOM 0 HG21 THR A 10 -16.733 3.616 6.929 1.00 1.90 H new ATOM 0 HG22 THR A 10 -15.215 3.218 6.089 1.00 1.90 H new ATOM 0 HG23 THR A 10 -15.234 4.484 7.340 1.00 1.90 H new ATOM 153 N ALA A 11 -12.782 4.867 4.090 1.00 0.83 N ATOM 154 CA ALA A 11 -11.800 3.911 3.650 1.00 0.74 C ATOM 155 C ALA A 11 -11.230 3.211 4.865 1.00 0.77 C ATOM 156 O ALA A 11 -10.857 3.856 5.845 1.00 0.96 O ATOM 157 CB ALA A 11 -10.703 4.605 2.869 1.00 0.70 C ATOM 0 H ALA A 11 -12.393 5.781 4.323 1.00 0.83 H new ATOM 0 HA ALA A 11 -12.265 3.178 2.991 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -9.968 3.870 2.543 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.133 5.099 1.998 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.218 5.346 3.504 1.00 0.70 H new ATOM 163 N VAL A 12 -11.162 1.904 4.797 1.00 0.65 N ATOM 164 CA VAL A 12 -10.764 1.098 5.940 1.00 0.72 C ATOM 165 C VAL A 12 -9.366 0.545 5.731 1.00 0.54 C ATOM 166 O VAL A 12 -9.092 -0.122 4.735 1.00 0.54 O ATOM 167 CB VAL A 12 -11.771 -0.053 6.216 1.00 0.89 C ATOM 168 CG1 VAL A 12 -12.030 -0.883 4.966 1.00 1.57 C ATOM 169 CG2 VAL A 12 -11.283 -0.946 7.348 1.00 1.38 C ATOM 0 H VAL A 12 -11.378 1.366 3.958 1.00 0.65 H new ATOM 0 HA VAL A 12 -10.763 1.745 6.817 1.00 0.72 H new ATOM 0 HB VAL A 12 -12.712 0.408 6.516 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -12.739 -1.678 5.198 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -12.443 -0.245 4.185 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -11.094 -1.321 4.620 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -12.006 -1.743 7.520 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -10.321 -1.381 7.079 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -11.172 -0.354 8.256 1.00 1.38 H new ATOM 179 N VAL A 13 -8.467 0.830 6.658 1.00 0.52 N ATOM 180 CA VAL A 13 -7.085 0.457 6.458 1.00 0.44 C ATOM 181 C VAL A 13 -6.855 -1.008 6.810 1.00 0.41 C ATOM 182 O VAL A 13 -7.267 -1.496 7.863 1.00 0.50 O ATOM 183 CB VAL A 13 -6.085 1.378 7.218 1.00 0.61 C ATOM 184 CG1 VAL A 13 -6.606 2.798 7.310 1.00 0.90 C ATOM 185 CG2 VAL A 13 -5.738 0.851 8.593 1.00 1.02 C ATOM 0 H VAL A 13 -8.666 1.308 7.537 1.00 0.52 H new ATOM 0 HA VAL A 13 -6.883 0.596 5.396 1.00 0.44 H new ATOM 0 HB VAL A 13 -5.166 1.381 6.633 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.886 3.416 7.846 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -6.752 3.198 6.307 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -7.556 2.803 7.844 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -5.038 1.532 9.078 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -6.645 0.775 9.193 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -5.281 -0.134 8.500 1.00 1.02 H new ATOM 195 N GLN A 14 -6.249 -1.717 5.874 1.00 0.37 N ATOM 196 CA GLN A 14 -5.832 -3.092 6.116 1.00 0.40 C ATOM 197 C GLN A 14 -4.336 -3.173 6.390 1.00 0.32 C ATOM 198 O GLN A 14 -3.591 -2.227 6.148 1.00 0.41 O ATOM 199 CB GLN A 14 -6.221 -4.014 4.953 1.00 0.51 C ATOM 200 CG GLN A 14 -5.772 -3.554 3.580 1.00 0.53 C ATOM 201 CD GLN A 14 -4.593 -4.322 3.009 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.641 -4.680 3.845 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -4.523 -4.547 1.805 1.00 0.55 N flip ATOM 0 H GLN A 14 -6.034 -1.367 4.940 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.360 -3.438 7.005 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -5.803 -5.003 5.141 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.306 -4.122 4.945 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.612 -3.639 2.890 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.509 -2.498 3.634 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -5.280 -4.255 1.187 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -3.708 -5.026 1.422 1.00 0.55 H new ATOM 212 N ARG A 15 -3.905 -4.321 6.873 1.00 0.32 N ATOM 213 CA ARG A 15 -2.544 -4.516 7.300 1.00 0.39 C ATOM 214 C ARG A 15 -1.933 -5.709 6.570 1.00 0.33 C ATOM 215 O ARG A 15 -2.278 -6.855 6.844 1.00 0.55 O ATOM 216 CB ARG A 15 -2.533 -4.748 8.810 1.00 0.70 C ATOM 217 CG ARG A 15 -1.450 -3.986 9.534 1.00 0.75 C ATOM 218 CD ARG A 15 -0.075 -4.509 9.170 1.00 1.44 C ATOM 219 NE ARG A 15 0.952 -4.068 10.113 1.00 2.26 N ATOM 220 CZ ARG A 15 2.074 -4.744 10.354 1.00 2.85 C ATOM 221 NH1 ARG A 15 2.335 -5.860 9.684 1.00 2.98 N ATOM 222 NH2 ARG A 15 2.930 -4.303 11.265 1.00 3.63 N ATOM 0 H ARG A 15 -4.496 -5.146 6.979 1.00 0.32 H new ATOM 0 HA ARG A 15 -1.949 -3.634 7.064 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -3.502 -4.462 9.219 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -2.407 -5.813 9.004 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -1.517 -2.927 9.284 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -1.600 -4.069 10.610 1.00 0.75 H new ATOM 0 HD2 ARG A 15 -0.098 -5.598 9.144 1.00 1.44 H new ATOM 0 HD3 ARG A 15 0.186 -4.172 8.167 1.00 1.44 H new ATOM 0 HE ARG A 15 0.800 -3.193 10.615 1.00 2.26 H new ATOM 0 HH11 ARG A 15 1.676 -6.200 8.984 1.00 2.98 H new ATOM 0 HH12 ARG A 15 3.195 -6.377 9.869 1.00 2.98 H new ATOM 0 HH21 ARG A 15 2.729 -3.446 11.781 1.00 3.63 H new ATOM 0 HH22 ARG A 15 3.789 -4.820 11.450 1.00 3.63 H new ATOM 236 N VAL A 16 -1.045 -5.431 5.631 1.00 0.25 N ATOM 237 CA VAL A 16 -0.389 -6.467 4.871 1.00 0.30 C ATOM 238 C VAL A 16 1.046 -6.635 5.356 1.00 0.26 C ATOM 239 O VAL A 16 1.754 -5.657 5.573 1.00 0.40 O ATOM 240 CB VAL A 16 -0.432 -6.136 3.355 1.00 0.51 C ATOM 241 CG1 VAL A 16 0.821 -6.588 2.624 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.651 -6.774 2.718 1.00 0.64 C ATOM 0 H VAL A 16 -0.763 -4.484 5.379 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.916 -7.409 5.022 1.00 0.30 H new ATOM 0 HB VAL A 16 -0.488 -5.051 3.267 1.00 0.51 H new ATOM 0 HG11 VAL A 16 0.738 -6.332 1.568 1.00 1.02 H new ATOM 0 HG12 VAL A 16 1.691 -6.090 3.051 1.00 1.02 H new ATOM 0 HG13 VAL A 16 0.934 -7.667 2.728 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -1.672 -6.536 1.655 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.605 -7.855 2.847 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -2.553 -6.390 3.194 1.00 0.64 H new ATOM 252 N GLU A 17 1.455 -7.867 5.571 1.00 0.22 N ATOM 253 CA GLU A 17 2.820 -8.154 5.972 1.00 0.25 C ATOM 254 C GLU A 17 3.334 -9.367 5.215 1.00 0.24 C ATOM 255 O GLU A 17 2.695 -10.422 5.213 1.00 0.28 O ATOM 256 CB GLU A 17 2.903 -8.388 7.483 1.00 0.33 C ATOM 257 CG GLU A 17 4.302 -8.723 7.968 1.00 0.44 C ATOM 258 CD GLU A 17 4.420 -8.741 9.479 1.00 0.75 C ATOM 259 OE1 GLU A 17 4.210 -7.681 10.105 1.00 1.35 O ATOM 260 OE2 GLU A 17 4.720 -9.813 10.047 1.00 1.31 O ATOM 0 H GLU A 17 0.861 -8.690 5.475 1.00 0.22 H new ATOM 0 HA GLU A 17 3.445 -7.295 5.730 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.552 -7.495 8.001 1.00 0.33 H new ATOM 0 HB3 GLU A 17 2.229 -9.200 7.754 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.592 -9.698 7.575 1.00 0.44 H new ATOM 0 HG3 GLU A 17 5.004 -7.994 7.563 1.00 0.44 H new ATOM 267 N ILE A 18 4.477 -9.226 4.561 1.00 0.24 N ATOM 268 CA ILE A 18 5.027 -10.311 3.789 1.00 0.24 C ATOM 269 C ILE A 18 6.532 -10.285 3.941 1.00 0.27 C ATOM 270 O ILE A 18 7.091 -9.278 4.353 1.00 0.33 O ATOM 271 CB ILE A 18 4.615 -10.222 2.299 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.929 -11.536 1.584 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.304 -9.058 1.604 1.00 0.27 C ATOM 274 CD1 ILE A 18 4.241 -12.731 2.199 1.00 0.61 C ATOM 0 H ILE A 18 5.034 -8.372 4.554 1.00 0.24 H new ATOM 0 HA ILE A 18 4.631 -11.256 4.161 1.00 0.24 H new ATOM 0 HB ILE A 18 3.540 -10.046 2.255 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.632 -11.453 0.539 1.00 0.34 H new ATOM 0 HG13 ILE A 18 6.007 -11.700 1.597 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.994 -9.023 0.560 1.00 0.27 H new ATOM 0 HG22 ILE A 18 5.028 -8.125 2.096 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.385 -9.190 1.657 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.507 -13.630 1.643 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.557 -12.839 3.236 1.00 0.61 H new ATOM 0 HD13 ILE A 18 3.161 -12.588 2.162 1.00 0.61 H new ATOM 286 N HIS A 19 7.194 -11.370 3.638 1.00 0.30 N ATOM 287 CA HIS A 19 8.619 -11.430 3.868 1.00 0.33 C ATOM 288 C HIS A 19 9.360 -11.066 2.599 1.00 0.35 C ATOM 289 O HIS A 19 9.244 -11.766 1.596 1.00 0.40 O ATOM 290 CB HIS A 19 9.039 -12.799 4.406 1.00 0.39 C ATOM 291 CG HIS A 19 8.754 -12.963 5.875 1.00 0.44 C ATOM 292 ND1 HIS A 19 7.610 -12.787 6.585 1.00 0.54 N flip ATOM 293 CD2 HIS A 19 9.713 -13.332 6.792 1.00 0.46 C flip ATOM 294 CE1 HIS A 19 7.899 -13.052 7.898 1.00 0.60 C flip ATOM 295 NE2 HIS A 19 9.175 -13.379 7.997 1.00 0.56 N flip ATOM 0 H HIS A 19 6.781 -12.213 3.238 1.00 0.30 H new ATOM 0 HA HIS A 19 8.883 -10.702 4.635 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.517 -13.578 3.850 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.105 -12.942 4.230 1.00 0.39 H new ATOM 0 HD2 HIS A 19 10.745 -13.549 6.561 1.00 0.46 H new ATOM 0 HE1 HIS A 19 7.198 -13.002 8.718 1.00 0.60 H new ATOM 0 HE2 HIS A 19 9.662 -13.626 8.858 1.00 0.56 H new ATOM 304 N LYS A 20 10.047 -9.915 2.662 1.00 0.34 N ATOM 305 CA LYS A 20 10.850 -9.364 1.555 1.00 0.36 C ATOM 306 C LYS A 20 11.369 -10.462 0.604 1.00 0.36 C ATOM 307 O LYS A 20 11.939 -11.466 1.043 1.00 0.42 O ATOM 308 CB LYS A 20 12.032 -8.528 2.121 1.00 0.40 C ATOM 309 CG LYS A 20 13.351 -9.281 2.301 1.00 1.42 C ATOM 310 CD LYS A 20 13.290 -10.301 3.429 1.00 2.33 C ATOM 311 CE LYS A 20 14.566 -11.130 3.503 1.00 3.13 C ATOM 312 NZ LYS A 20 15.780 -10.289 3.700 1.00 4.00 N ATOM 0 H LYS A 20 10.062 -9.330 3.497 1.00 0.34 H new ATOM 0 HA LYS A 20 10.198 -8.718 0.967 1.00 0.36 H new ATOM 0 HB2 LYS A 20 12.206 -7.682 1.456 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.734 -8.119 3.086 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.606 -9.788 1.370 1.00 1.42 H new ATOM 0 HG3 LYS A 20 14.149 -8.567 2.504 1.00 1.42 H new ATOM 0 HD2 LYS A 20 13.134 -9.787 4.377 1.00 2.33 H new ATOM 0 HD3 LYS A 20 12.435 -10.960 3.279 1.00 2.33 H new ATOM 0 HE2 LYS A 20 14.485 -11.844 4.323 1.00 3.13 H new ATOM 0 HE3 LYS A 20 14.673 -11.709 2.586 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 16.415 -10.751 4.382 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 16.273 -10.173 2.792 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 15.500 -9.356 4.064 1.00 4.00 H new ATOM 326 N LEU A 21 11.169 -10.287 -0.698 1.00 0.33 N ATOM 327 CA LEU A 21 11.597 -11.308 -1.642 1.00 0.37 C ATOM 328 C LEU A 21 12.905 -10.886 -2.272 1.00 0.41 C ATOM 329 O LEU A 21 12.936 -10.103 -3.219 1.00 0.45 O ATOM 330 CB LEU A 21 10.525 -11.572 -2.708 1.00 0.38 C ATOM 331 CG LEU A 21 10.822 -12.726 -3.673 1.00 0.45 C ATOM 332 CD1 LEU A 21 11.059 -14.013 -2.901 1.00 0.55 C ATOM 333 CD2 LEU A 21 9.680 -12.901 -4.666 1.00 0.48 C ATOM 0 H LEU A 21 10.725 -9.469 -1.114 1.00 0.33 H new ATOM 0 HA LEU A 21 11.745 -12.246 -1.106 1.00 0.37 H new ATOM 0 HB2 LEU A 21 9.580 -11.777 -2.205 1.00 0.38 H new ATOM 0 HB3 LEU A 21 10.385 -10.661 -3.291 1.00 0.38 H new ATOM 0 HG LEU A 21 11.727 -12.485 -4.231 1.00 0.45 H new ATOM 0 HD11 LEU A 21 11.269 -14.823 -3.600 1.00 0.55 H new ATOM 0 HD12 LEU A 21 11.908 -13.884 -2.230 1.00 0.55 H new ATOM 0 HD13 LEU A 21 10.170 -14.257 -2.319 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.909 -13.724 -5.342 1.00 0.48 H new ATOM 0 HD22 LEU A 21 8.759 -13.120 -4.126 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.554 -11.984 -5.241 1.00 0.48 H new ATOM 345 N ARG A 22 13.991 -11.378 -1.709 1.00 0.51 N ATOM 346 CA ARG A 22 15.311 -10.940 -2.110 1.00 0.61 C ATOM 347 C ARG A 22 15.709 -11.526 -3.458 1.00 0.60 C ATOM 348 O ARG A 22 15.424 -12.684 -3.760 1.00 0.66 O ATOM 349 CB ARG A 22 16.341 -11.302 -1.042 1.00 0.88 C ATOM 350 CG ARG A 22 16.487 -12.793 -0.795 1.00 1.19 C ATOM 351 CD ARG A 22 17.688 -13.077 0.089 1.00 1.94 C ATOM 352 NE ARG A 22 17.827 -14.496 0.415 1.00 2.47 N ATOM 353 CZ ARG A 22 18.923 -15.213 0.156 1.00 3.28 C ATOM 354 NH1 ARG A 22 19.965 -14.650 -0.447 1.00 3.78 N ATOM 355 NH2 ARG A 22 18.984 -16.489 0.513 1.00 3.97 N ATOM 0 H ARG A 22 13.984 -12.082 -0.971 1.00 0.51 H new ATOM 0 HA ARG A 22 15.283 -9.856 -2.217 1.00 0.61 H new ATOM 0 HB2 ARG A 22 17.310 -10.898 -1.336 1.00 0.88 H new ATOM 0 HB3 ARG A 22 16.063 -10.816 -0.107 1.00 0.88 H new ATOM 0 HG2 ARG A 22 15.583 -13.178 -0.323 1.00 1.19 H new ATOM 0 HG3 ARG A 22 16.598 -13.315 -1.746 1.00 1.19 H new ATOM 0 HD2 ARG A 22 18.593 -12.734 -0.413 1.00 1.94 H new ATOM 0 HD3 ARG A 22 17.598 -12.504 1.012 1.00 1.94 H new ATOM 0 HE ARG A 22 17.041 -14.965 0.866 1.00 2.47 H new ATOM 0 HH11 ARG A 22 19.929 -13.666 -0.714 1.00 3.78 H new ATOM 0 HH12 ARG A 22 20.800 -15.202 -0.643 1.00 3.78 H new ATOM 0 HH21 ARG A 22 18.192 -16.925 0.986 1.00 3.97 H new ATOM 0 HH22 ARG A 22 19.822 -17.035 0.314 1.00 3.97 H new ATOM 369 N GLN A 23 16.349 -10.699 -4.261 1.00 0.68 N ATOM 370 CA GLN A 23 16.857 -11.103 -5.552 1.00 0.81 C ATOM 371 C GLN A 23 18.266 -10.572 -5.698 1.00 0.93 C ATOM 372 O GLN A 23 18.446 -9.433 -6.116 1.00 1.02 O ATOM 373 CB GLN A 23 16.003 -10.502 -6.663 1.00 0.90 C ATOM 374 CG GLN A 23 15.985 -11.333 -7.923 1.00 1.04 C ATOM 375 CD GLN A 23 15.131 -12.584 -7.794 1.00 0.92 C ATOM 376 OE1 GLN A 23 14.087 -12.513 -6.974 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 15.410 -13.605 -8.421 1.00 0.69 N flip ATOM 0 H GLN A 23 16.531 -9.722 -4.032 1.00 0.68 H new ATOM 0 HA GLN A 23 16.836 -12.190 -5.624 1.00 0.81 H new ATOM 0 HB2 GLN A 23 14.982 -10.382 -6.301 1.00 0.90 H new ATOM 0 HB3 GLN A 23 16.376 -9.506 -6.899 1.00 0.90 H new ATOM 0 HG2 GLN A 23 15.610 -10.726 -8.747 1.00 1.04 H new ATOM 0 HG3 GLN A 23 17.005 -11.620 -8.177 1.00 1.04 H new ATOM 0 HE21 GLN A 23 16.220 -13.618 -9.040 1.00 0.69 H new ATOM 0 HE22 GLN A 23 14.831 -14.439 -8.322 1.00 0.69 H new ATOM 386 N GLY A 24 19.257 -11.378 -5.357 1.00 1.03 N ATOM 387 CA GLY A 24 20.621 -10.901 -5.334 1.00 1.19 C ATOM 388 C GLY A 24 20.820 -9.837 -4.276 1.00 1.23 C ATOM 389 O GLY A 24 21.253 -10.124 -3.159 1.00 1.33 O ATOM 0 H GLY A 24 19.140 -12.357 -5.095 1.00 1.03 H new ATOM 0 HA2 GLY A 24 21.296 -11.735 -5.144 1.00 1.19 H new ATOM 0 HA3 GLY A 24 20.882 -10.496 -6.312 1.00 1.19 H new ATOM 393 N GLU A 25 20.481 -8.610 -4.631 1.00 1.27 N ATOM 394 CA GLU A 25 20.614 -7.480 -3.726 1.00 1.43 C ATOM 395 C GLU A 25 19.342 -6.649 -3.719 1.00 1.40 C ATOM 396 O GLU A 25 19.294 -5.573 -3.128 1.00 1.61 O ATOM 397 CB GLU A 25 21.789 -6.611 -4.153 1.00 1.67 C ATOM 398 CG GLU A 25 23.098 -7.365 -4.218 1.00 1.84 C ATOM 399 CD GLU A 25 24.176 -6.564 -4.903 1.00 2.03 C ATOM 400 OE1 GLU A 25 24.701 -5.625 -4.279 1.00 2.33 O ATOM 401 OE2 GLU A 25 24.519 -6.885 -6.060 1.00 2.21 O ATOM 0 H GLU A 25 20.108 -8.369 -5.549 1.00 1.27 H new ATOM 0 HA GLU A 25 20.790 -7.861 -2.720 1.00 1.43 H new ATOM 0 HB2 GLU A 25 21.577 -6.180 -5.132 1.00 1.67 H new ATOM 0 HB3 GLU A 25 21.890 -5.780 -3.454 1.00 1.67 H new ATOM 0 HG2 GLU A 25 23.421 -7.619 -3.208 1.00 1.84 H new ATOM 0 HG3 GLU A 25 22.950 -8.304 -4.751 1.00 1.84 H new ATOM 408 N ASN A 26 18.310 -7.156 -4.366 1.00 1.21 N ATOM 409 CA ASN A 26 17.083 -6.390 -4.541 1.00 1.23 C ATOM 410 C ASN A 26 15.967 -6.960 -3.687 1.00 1.05 C ATOM 411 O ASN A 26 16.076 -8.070 -3.165 1.00 1.06 O ATOM 412 CB ASN A 26 16.646 -6.403 -6.010 1.00 1.31 C ATOM 413 CG ASN A 26 17.787 -6.096 -6.961 1.00 1.39 C ATOM 414 OD1 ASN A 26 18.056 -4.940 -7.286 1.00 1.87 O ATOM 415 ND2 ASN A 26 18.462 -7.141 -7.413 1.00 1.33 N ATOM 0 H ASN A 26 18.293 -8.089 -4.778 1.00 1.21 H new ATOM 0 HA ASN A 26 17.285 -5.365 -4.231 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.229 -7.380 -6.252 1.00 1.31 H new ATOM 0 HB3 ASN A 26 15.850 -5.672 -6.155 1.00 1.31 H new ATOM 0 HD21 ASN A 26 19.241 -7.005 -8.058 1.00 1.33 H new ATOM 0 HD22 ASN A 26 18.204 -8.082 -7.116 1.00 1.33 H new ATOM 422 N LEU A 27 14.896 -6.198 -3.558 1.00 0.95 N ATOM 423 CA LEU A 27 13.703 -6.662 -2.883 1.00 0.82 C ATOM 424 C LEU A 27 12.537 -6.631 -3.846 1.00 0.71 C ATOM 425 O LEU A 27 12.220 -5.597 -4.440 1.00 0.81 O ATOM 426 CB LEU A 27 13.386 -5.816 -1.639 1.00 0.93 C ATOM 427 CG LEU A 27 11.904 -5.749 -1.242 1.00 1.28 C ATOM 428 CD1 LEU A 27 11.389 -7.105 -0.819 1.00 2.28 C ATOM 429 CD2 LEU A 27 11.696 -4.743 -0.127 1.00 1.62 C ATOM 0 H LEU A 27 14.831 -5.245 -3.917 1.00 0.95 H new ATOM 0 HA LEU A 27 13.878 -7.684 -2.546 1.00 0.82 H new ATOM 0 HB2 LEU A 27 13.952 -6.215 -0.797 1.00 0.93 H new ATOM 0 HB3 LEU A 27 13.744 -4.801 -1.811 1.00 0.93 H new ATOM 0 HG LEU A 27 11.340 -5.428 -2.118 1.00 1.28 H new ATOM 0 HD11 LEU A 27 10.337 -7.025 -0.544 1.00 2.28 H new ATOM 0 HD12 LEU A 27 11.496 -7.809 -1.645 1.00 2.28 H new ATOM 0 HD13 LEU A 27 11.962 -7.461 0.037 1.00 2.28 H new ATOM 0 HD21 LEU A 27 10.640 -4.710 0.141 1.00 1.62 H new ATOM 0 HD22 LEU A 27 12.282 -5.038 0.743 1.00 1.62 H new ATOM 0 HD23 LEU A 27 12.017 -3.757 -0.462 1.00 1.62 H new ATOM 441 N ILE A 28 11.926 -7.775 -4.017 1.00 0.57 N ATOM 442 CA ILE A 28 10.723 -7.874 -4.790 1.00 0.52 C ATOM 443 C ILE A 28 9.552 -7.876 -3.822 1.00 0.44 C ATOM 444 O ILE A 28 9.416 -8.767 -2.981 1.00 0.43 O ATOM 445 CB ILE A 28 10.729 -9.136 -5.695 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.586 -8.904 -6.952 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.319 -9.538 -6.099 1.00 0.47 C ATOM 448 CD1 ILE A 28 13.035 -8.554 -6.676 1.00 0.80 C ATOM 0 H ILE A 28 12.250 -8.659 -3.624 1.00 0.57 H new ATOM 0 HA ILE A 28 10.640 -7.024 -5.467 1.00 0.52 H new ATOM 0 HB ILE A 28 11.164 -9.949 -5.114 1.00 0.53 H new ATOM 0 HG12 ILE A 28 11.555 -9.803 -7.567 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.138 -8.101 -7.537 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.361 -10.425 -6.732 1.00 0.47 H new ATOM 0 HG22 ILE A 28 8.733 -9.757 -5.206 1.00 0.47 H new ATOM 0 HG23 ILE A 28 8.851 -8.721 -6.649 1.00 0.47 H new ATOM 0 HD11 ILE A 28 13.560 -8.409 -7.620 1.00 0.80 H new ATOM 0 HD12 ILE A 28 13.082 -7.637 -6.089 1.00 0.80 H new ATOM 0 HD13 ILE A 28 13.506 -9.365 -6.120 1.00 0.80 H new ATOM 460 N LEU A 29 8.764 -6.822 -3.897 1.00 0.51 N ATOM 461 CA LEU A 29 7.678 -6.604 -2.960 1.00 0.55 C ATOM 462 C LEU A 29 6.365 -7.134 -3.520 1.00 0.73 C ATOM 463 O LEU A 29 5.396 -7.327 -2.790 1.00 1.74 O ATOM 464 CB LEU A 29 7.577 -5.111 -2.576 1.00 0.71 C ATOM 465 CG LEU A 29 7.434 -4.083 -3.720 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.036 -2.733 -3.157 1.00 1.28 C ATOM 467 CD2 LEU A 29 8.730 -3.922 -4.511 1.00 1.33 C ATOM 0 H LEU A 29 8.857 -6.095 -4.606 1.00 0.51 H new ATOM 0 HA LEU A 29 7.892 -7.162 -2.048 1.00 0.55 H new ATOM 0 HB2 LEU A 29 6.722 -4.993 -1.910 1.00 0.71 H new ATOM 0 HB3 LEU A 29 8.466 -4.852 -2.001 1.00 0.71 H new ATOM 0 HG LEU A 29 6.664 -4.458 -4.394 1.00 0.74 H new ATOM 0 HD11 LEU A 29 6.937 -2.014 -3.971 1.00 1.28 H new ATOM 0 HD12 LEU A 29 6.083 -2.823 -2.635 1.00 1.28 H new ATOM 0 HD13 LEU A 29 7.801 -2.390 -2.460 1.00 1.28 H new ATOM 0 HD21 LEU A 29 8.583 -3.190 -5.305 1.00 1.33 H new ATOM 0 HD22 LEU A 29 9.523 -3.581 -3.845 1.00 1.33 H new ATOM 0 HD23 LEU A 29 9.011 -4.880 -4.948 1.00 1.33 H new ATOM 479 N GLY A 30 6.349 -7.393 -4.818 1.00 0.40 N ATOM 480 CA GLY A 30 5.206 -8.042 -5.422 1.00 0.32 C ATOM 481 C GLY A 30 4.111 -7.076 -5.855 1.00 0.35 C ATOM 482 O GLY A 30 3.171 -7.474 -6.534 1.00 0.69 O ATOM 0 H GLY A 30 7.106 -7.166 -5.463 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.539 -8.612 -6.289 1.00 0.32 H new ATOM 0 HA3 GLY A 30 4.788 -8.756 -4.713 1.00 0.32 H new ATOM 486 N PHE A 31 4.225 -5.812 -5.465 1.00 0.29 N ATOM 487 CA PHE A 31 3.256 -4.791 -5.858 1.00 0.28 C ATOM 488 C PHE A 31 3.965 -3.529 -6.344 1.00 0.31 C ATOM 489 O PHE A 31 5.167 -3.376 -6.136 1.00 0.42 O ATOM 490 CB PHE A 31 2.324 -4.464 -4.683 1.00 0.28 C ATOM 491 CG PHE A 31 3.025 -4.008 -3.426 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.430 -4.923 -2.468 1.00 0.33 C ATOM 493 CD2 PHE A 31 3.253 -2.660 -3.194 1.00 0.42 C ATOM 494 CE1 PHE A 31 4.046 -4.506 -1.305 1.00 0.42 C ATOM 495 CE2 PHE A 31 3.863 -2.236 -2.031 1.00 0.50 C ATOM 496 CZ PHE A 31 4.263 -3.162 -1.087 1.00 0.51 C ATOM 0 H PHE A 31 4.982 -5.467 -4.874 1.00 0.29 H new ATOM 0 HA PHE A 31 2.658 -5.183 -6.681 1.00 0.28 H new ATOM 0 HB2 PHE A 31 1.627 -3.686 -4.996 1.00 0.28 H new ATOM 0 HB3 PHE A 31 1.731 -5.349 -4.451 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.262 -5.977 -2.633 1.00 0.33 H new ATOM 0 HD2 PHE A 31 2.949 -1.933 -3.933 1.00 0.42 H new ATOM 0 HE1 PHE A 31 4.357 -5.231 -0.568 1.00 0.42 H new ATOM 0 HE2 PHE A 31 4.027 -1.182 -1.859 1.00 0.50 H new ATOM 0 HZ PHE A 31 4.746 -2.833 -0.178 1.00 0.51 H new ATOM 506 N SER A 32 3.229 -2.634 -7.002 1.00 0.25 N ATOM 507 CA SER A 32 3.806 -1.382 -7.445 1.00 0.23 C ATOM 508 C SER A 32 3.306 -0.260 -6.566 1.00 0.23 C ATOM 509 O SER A 32 2.421 -0.462 -5.747 1.00 0.29 O ATOM 510 CB SER A 32 3.485 -1.110 -8.903 1.00 0.25 C ATOM 511 OG SER A 32 4.322 -0.101 -9.439 1.00 0.53 O ATOM 0 H SER A 32 2.244 -2.757 -7.234 1.00 0.25 H new ATOM 0 HA SER A 32 4.891 -1.448 -7.361 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.604 -2.027 -9.480 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.442 -0.807 -8.997 1.00 0.25 H new ATOM 0 HG SER A 32 4.092 0.050 -10.380 1.00 0.53 H new ATOM 517 N ILE A 33 3.863 0.918 -6.723 1.00 0.23 N ATOM 518 CA ILE A 33 3.646 1.968 -5.755 1.00 0.25 C ATOM 519 C ILE A 33 3.713 3.354 -6.400 1.00 0.25 C ATOM 520 O ILE A 33 4.642 3.658 -7.147 1.00 0.32 O ATOM 521 CB ILE A 33 4.705 1.824 -4.636 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.648 2.987 -3.644 1.00 0.33 C ATOM 523 CG2 ILE A 33 6.093 1.699 -5.249 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.700 2.898 -2.552 1.00 0.37 C ATOM 0 H ILE A 33 4.466 1.173 -7.506 1.00 0.23 H new ATOM 0 HA ILE A 33 2.645 1.870 -5.335 1.00 0.25 H new ATOM 0 HB ILE A 33 4.481 0.917 -4.075 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.775 3.924 -4.186 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.660 3.016 -3.185 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.833 1.598 -4.455 1.00 0.49 H new ATOM 0 HG22 ILE A 33 6.129 0.820 -5.893 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.312 2.589 -5.838 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.604 3.753 -1.883 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.560 1.977 -1.986 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.693 2.900 -3.002 1.00 0.37 H new ATOM 536 N GLY A 34 2.724 4.187 -6.101 1.00 0.26 N ATOM 537 CA GLY A 34 2.717 5.558 -6.585 1.00 0.43 C ATOM 538 C GLY A 34 3.119 6.516 -5.484 1.00 0.30 C ATOM 539 O GLY A 34 3.242 6.103 -4.324 1.00 0.72 O ATOM 0 H GLY A 34 1.919 3.936 -5.527 1.00 0.26 H new ATOM 0 HA2 GLY A 34 3.403 5.655 -7.427 1.00 0.43 H new ATOM 0 HA3 GLY A 34 1.723 5.814 -6.952 1.00 0.43 H new ATOM 543 N GLY A 35 3.324 7.787 -5.815 1.00 0.77 N ATOM 544 CA GLY A 35 4.092 8.613 -4.952 1.00 0.93 C ATOM 545 C GLY A 35 3.424 9.763 -4.272 1.00 0.73 C ATOM 546 O GLY A 35 2.339 10.214 -4.623 1.00 1.42 O ATOM 0 H GLY A 35 2.970 8.240 -6.658 1.00 0.77 H new ATOM 0 HA2 GLY A 35 4.518 7.975 -4.178 1.00 0.93 H new ATOM 0 HA3 GLY A 35 4.925 9.011 -5.532 1.00 0.93 H new ATOM 550 N GLY A 36 4.219 10.267 -3.350 1.00 0.40 N ATOM 551 CA GLY A 36 3.830 11.156 -2.320 1.00 0.39 C ATOM 552 C GLY A 36 3.884 12.607 -2.726 1.00 0.35 C ATOM 553 O GLY A 36 3.949 12.932 -3.911 1.00 0.48 O ATOM 0 H GLY A 36 5.213 10.041 -3.314 1.00 0.40 H new ATOM 0 HA2 GLY A 36 2.815 10.913 -2.005 1.00 0.39 H new ATOM 0 HA3 GLY A 36 4.477 11.004 -1.456 1.00 0.39 H new ATOM 557 N ILE A 37 3.893 13.476 -1.719 1.00 0.37 N ATOM 558 CA ILE A 37 4.181 14.900 -1.896 1.00 0.41 C ATOM 559 C ILE A 37 5.536 15.105 -2.577 1.00 0.38 C ATOM 560 O ILE A 37 5.905 16.220 -2.952 1.00 0.46 O ATOM 561 CB ILE A 37 4.207 15.602 -0.532 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.398 15.090 0.278 1.00 0.47 C ATOM 563 CG2 ILE A 37 2.902 15.337 0.198 1.00 0.52 C ATOM 564 CD1 ILE A 37 5.544 15.739 1.636 1.00 0.49 C ATOM 0 H ILE A 37 3.700 13.213 -0.752 1.00 0.37 H new ATOM 0 HA ILE A 37 3.397 15.324 -2.524 1.00 0.41 H new ATOM 0 HB ILE A 37 4.315 16.678 -0.667 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.298 14.013 0.411 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.311 15.257 -0.293 1.00 0.47 H new ATOM 0 HG21 ILE A 37 2.920 15.835 1.167 1.00 0.52 H new ATOM 0 HG22 ILE A 37 2.070 15.721 -0.393 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.778 14.264 0.344 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.411 15.322 2.147 1.00 0.49 H new ATOM 0 HD12 ILE A 37 5.678 16.814 1.513 1.00 0.49 H new ATOM 0 HD13 ILE A 37 4.648 15.550 2.228 1.00 0.49 H new ATOM 576 N ASP A 38 6.280 14.012 -2.699 1.00 0.35 N ATOM 577 CA ASP A 38 7.524 13.990 -3.437 1.00 0.40 C ATOM 578 C ASP A 38 7.266 14.372 -4.882 1.00 0.56 C ATOM 579 O ASP A 38 8.020 15.129 -5.491 1.00 0.69 O ATOM 580 CB ASP A 38 8.119 12.584 -3.376 1.00 0.39 C ATOM 581 CG ASP A 38 8.943 12.207 -4.588 1.00 0.42 C ATOM 582 OD1 ASP A 38 10.050 12.743 -4.751 1.00 0.68 O ATOM 583 OD2 ASP A 38 8.480 11.340 -5.361 1.00 0.72 O ATOM 0 H ASP A 38 6.030 13.114 -2.284 1.00 0.35 H new ATOM 0 HA ASP A 38 8.223 14.702 -2.998 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.744 12.504 -2.486 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.309 11.863 -3.262 1.00 0.39 H new ATOM 588 N GLN A 39 6.164 13.853 -5.406 1.00 0.63 N ATOM 589 CA GLN A 39 5.838 14.039 -6.801 1.00 0.85 C ATOM 590 C GLN A 39 5.139 15.350 -7.019 1.00 0.93 C ATOM 591 O GLN A 39 5.463 16.114 -7.929 1.00 1.19 O ATOM 592 CB GLN A 39 5.004 12.897 -7.311 1.00 0.98 C ATOM 593 CG GLN A 39 5.894 11.719 -7.485 1.00 1.00 C ATOM 594 CD GLN A 39 5.244 10.427 -7.320 1.00 0.60 C ATOM 595 OE1 GLN A 39 6.004 9.597 -6.702 1.00 0.78 O flip ATOM 596 NE2 GLN A 39 4.093 10.191 -7.683 1.00 0.82 N flip ATOM 0 H GLN A 39 5.485 13.301 -4.881 1.00 0.63 H new ATOM 0 HA GLN A 39 6.770 14.057 -7.366 1.00 0.85 H new ATOM 0 HB2 GLN A 39 4.202 12.668 -6.609 1.00 0.98 H new ATOM 0 HB3 GLN A 39 4.533 13.162 -8.258 1.00 0.98 H new ATOM 0 HG2 GLN A 39 6.337 11.761 -8.480 1.00 1.00 H new ATOM 0 HG3 GLN A 39 6.712 11.791 -6.768 1.00 1.00 H new ATOM 0 HE21 GLN A 39 3.555 10.908 -8.170 1.00 0.82 H new ATOM 0 HE22 GLN A 39 3.677 9.279 -7.497 1.00 0.82 H new ATOM 815 N GLY A 54 -0.980 10.704 -1.614 1.00 0.78 N ATOM 816 CA GLY A 54 0.014 10.160 -0.703 1.00 0.65 C ATOM 817 C GLY A 54 0.871 9.104 -1.376 1.00 0.53 C ATOM 818 O GLY A 54 1.133 9.180 -2.570 1.00 0.57 O ATOM 0 HA2 GLY A 54 0.650 10.965 -0.335 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -0.485 9.726 0.164 1.00 0.65 H new ATOM 822 N ILE A 55 1.335 8.138 -0.614 1.00 0.48 N ATOM 823 CA ILE A 55 1.953 6.961 -1.189 1.00 0.40 C ATOM 824 C ILE A 55 0.935 5.844 -1.195 1.00 0.33 C ATOM 825 O ILE A 55 0.261 5.609 -0.195 1.00 0.43 O ATOM 826 CB ILE A 55 3.219 6.519 -0.427 1.00 0.46 C ATOM 827 CG1 ILE A 55 4.363 7.500 -0.666 1.00 0.51 C ATOM 828 CG2 ILE A 55 3.641 5.125 -0.849 1.00 0.45 C ATOM 829 CD1 ILE A 55 4.150 8.855 -0.041 1.00 0.54 C ATOM 0 H ILE A 55 1.297 8.143 0.405 1.00 0.48 H new ATOM 0 HA ILE A 55 2.272 7.204 -2.202 1.00 0.40 H new ATOM 0 HB ILE A 55 2.982 6.507 0.637 1.00 0.46 H new ATOM 0 HG12 ILE A 55 5.284 7.071 -0.272 1.00 0.51 H new ATOM 0 HG13 ILE A 55 4.503 7.625 -1.740 1.00 0.51 H new ATOM 0 HG21 ILE A 55 4.536 4.834 -0.299 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.837 4.421 -0.634 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.854 5.117 -1.918 1.00 0.45 H new ATOM 0 HD11 ILE A 55 5.007 9.494 -0.256 1.00 0.54 H new ATOM 0 HD12 ILE A 55 3.248 9.308 -0.452 1.00 0.54 H new ATOM 0 HD13 ILE A 55 4.041 8.745 1.038 1.00 0.54 H new ATOM 841 N TYR A 56 0.803 5.167 -2.317 1.00 0.25 N ATOM 842 CA TYR A 56 -0.274 4.229 -2.488 1.00 0.23 C ATOM 843 C TYR A 56 0.099 3.183 -3.508 1.00 0.18 C ATOM 844 O TYR A 56 0.704 3.488 -4.531 1.00 0.28 O ATOM 845 CB TYR A 56 -1.578 4.944 -2.873 1.00 0.36 C ATOM 846 CG TYR A 56 -1.495 5.871 -4.067 1.00 0.32 C ATOM 847 CD1 TYR A 56 -0.529 6.861 -4.126 1.00 0.67 C ATOM 848 CD2 TYR A 56 -2.357 5.734 -5.140 1.00 0.83 C ATOM 849 CE1 TYR A 56 -0.424 7.689 -5.224 1.00 0.90 C ATOM 850 CE2 TYR A 56 -2.259 6.549 -6.248 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.392 7.610 -6.229 1.00 1.01 C ATOM 852 OH TYR A 56 -1.170 8.350 -7.384 1.00 1.42 O ATOM 0 H TYR A 56 1.428 5.252 -3.118 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.448 3.729 -1.535 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.338 4.189 -3.075 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -1.922 5.520 -2.014 1.00 0.36 H new ATOM 0 HD1 TYR A 56 0.154 6.987 -3.299 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -3.123 4.973 -5.109 1.00 0.83 H new ATOM 0 HE1 TYR A 56 0.395 8.389 -5.306 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -2.860 6.353 -7.123 1.00 1.14 H new ATOM 0 HH TYR A 56 -1.912 8.212 -8.009 1.00 1.42 H new ATOM 862 N VAL A 57 -0.254 1.954 -3.216 1.00 0.18 N ATOM 863 CA VAL A 57 0.096 0.848 -4.068 1.00 0.17 C ATOM 864 C VAL A 57 -0.637 0.945 -5.391 1.00 0.16 C ATOM 865 O VAL A 57 -1.844 1.174 -5.422 1.00 0.22 O ATOM 866 CB VAL A 57 -0.176 -0.497 -3.362 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.622 -0.678 -2.979 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.286 -1.671 -4.196 1.00 0.58 C ATOM 0 H VAL A 57 -0.788 1.696 -2.386 1.00 0.18 H new ATOM 0 HA VAL A 57 1.165 0.894 -4.277 1.00 0.17 H new ATOM 0 HB VAL A 57 0.407 -0.467 -2.441 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.750 -1.642 -2.487 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -1.921 0.119 -2.299 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -2.243 -0.643 -3.874 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.077 -2.599 -3.665 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -0.243 -1.671 -5.149 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.358 -1.590 -4.377 1.00 0.58 H new ATOM 878 N THR A 58 0.122 0.833 -6.473 1.00 0.17 N ATOM 879 CA THR A 58 -0.426 0.882 -7.812 1.00 0.24 C ATOM 880 C THR A 58 -0.002 -0.358 -8.592 1.00 0.38 C ATOM 881 O THR A 58 0.755 -0.277 -9.550 1.00 1.11 O ATOM 882 CB THR A 58 0.003 2.149 -8.570 1.00 0.39 C ATOM 883 OG1 THR A 58 -0.222 3.303 -7.747 1.00 0.83 O ATOM 884 CG2 THR A 58 -0.789 2.273 -9.863 1.00 0.69 C ATOM 0 H THR A 58 1.134 0.706 -6.442 1.00 0.17 H new ATOM 0 HA THR A 58 -1.512 0.909 -7.720 1.00 0.24 H new ATOM 0 HB THR A 58 1.064 2.081 -8.810 1.00 0.39 H new ATOM 0 HG1 THR A 58 0.054 4.109 -8.231 1.00 0.83 H new ATOM 0 HG21 THR A 58 -0.479 3.173 -10.394 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.603 1.400 -10.489 1.00 0.69 H new ATOM 0 HG23 THR A 58 -1.853 2.335 -9.634 1.00 0.69 H new ATOM 892 N ARG A 59 -0.401 -1.496 -8.042 1.00 0.31 N ATOM 893 CA ARG A 59 -0.382 -2.814 -8.678 1.00 0.26 C ATOM 894 C ARG A 59 -0.300 -3.890 -7.629 1.00 0.26 C ATOM 895 O ARG A 59 -0.340 -3.606 -6.435 1.00 0.27 O ATOM 896 CB ARG A 59 0.764 -3.037 -9.664 1.00 0.26 C ATOM 897 CG ARG A 59 0.384 -2.692 -11.085 1.00 0.34 C ATOM 898 CD ARG A 59 1.197 -3.493 -12.091 1.00 0.45 C ATOM 899 NE ARG A 59 0.815 -3.212 -13.473 1.00 1.06 N ATOM 900 CZ ARG A 59 0.560 -4.161 -14.380 1.00 1.50 C ATOM 901 NH1 ARG A 59 0.559 -5.443 -14.026 1.00 1.52 N ATOM 902 NH2 ARG A 59 0.272 -3.837 -15.634 1.00 2.27 N ATOM 0 H ARG A 59 -0.767 -1.531 -7.090 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.310 -2.860 -9.248 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.620 -2.432 -9.364 1.00 0.26 H new ATOM 0 HB3 ARG A 59 1.079 -4.079 -9.619 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.678 -2.887 -11.236 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.540 -1.627 -11.256 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.255 -3.269 -11.958 1.00 0.45 H new ATOM 0 HD3 ARG A 59 1.069 -4.557 -11.892 1.00 0.45 H new ATOM 0 HE ARG A 59 0.739 -2.237 -13.762 1.00 1.06 H new ATOM 0 HH11 ARG A 59 0.753 -5.705 -13.060 1.00 1.52 H new ATOM 0 HH12 ARG A 59 0.364 -6.164 -14.721 1.00 1.52 H new ATOM 0 HH21 ARG A 59 0.244 -2.857 -15.914 1.00 2.27 H new ATOM 0 HH22 ARG A 59 0.079 -4.568 -16.318 1.00 2.27 H new ATOM 916 N VAL A 60 -0.276 -5.110 -8.128 1.00 0.26 N ATOM 917 CA VAL A 60 0.139 -6.310 -7.408 1.00 0.27 C ATOM 918 C VAL A 60 0.321 -7.392 -8.452 1.00 0.36 C ATOM 919 O VAL A 60 -0.578 -7.627 -9.259 1.00 0.51 O ATOM 920 CB VAL A 60 -0.857 -6.867 -6.343 1.00 0.33 C ATOM 921 CG1 VAL A 60 -0.308 -8.171 -5.794 1.00 0.83 C ATOM 922 CG2 VAL A 60 -1.105 -5.912 -5.188 1.00 0.75 C ATOM 0 H VAL A 60 -0.557 -5.307 -9.089 1.00 0.26 H new ATOM 0 HA VAL A 60 1.033 -6.032 -6.850 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.813 -7.011 -6.846 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.996 -8.570 -5.048 1.00 0.83 H new ATOM 0 HG12 VAL A 60 -0.196 -8.889 -6.606 1.00 0.83 H new ATOM 0 HG13 VAL A 60 0.663 -7.991 -5.333 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.806 -6.364 -4.487 1.00 0.75 H new ATOM 0 HG22 VAL A 60 -0.164 -5.706 -4.678 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.523 -4.980 -5.570 1.00 0.75 H new ATOM 932 N SER A 61 1.472 -8.014 -8.489 1.00 0.45 N ATOM 933 CA SER A 61 1.658 -9.126 -9.384 1.00 0.56 C ATOM 934 C SER A 61 1.162 -10.385 -8.722 1.00 0.56 C ATOM 935 O SER A 61 1.517 -10.687 -7.584 1.00 0.64 O ATOM 936 CB SER A 61 3.112 -9.310 -9.759 1.00 0.72 C ATOM 937 OG SER A 61 3.705 -8.075 -10.129 1.00 1.65 O ATOM 0 H SER A 61 2.283 -7.774 -7.919 1.00 0.45 H new ATOM 0 HA SER A 61 1.095 -8.919 -10.294 1.00 0.56 H new ATOM 0 HB2 SER A 61 3.656 -9.740 -8.918 1.00 0.72 H new ATOM 0 HB3 SER A 61 3.191 -10.017 -10.585 1.00 0.72 H new ATOM 0 HG SER A 61 4.645 -8.221 -10.365 1.00 1.65 H new ATOM 943 N GLU A 62 0.319 -11.092 -9.425 1.00 0.68 N ATOM 944 CA GLU A 62 -0.151 -12.378 -8.982 1.00 0.73 C ATOM 945 C GLU A 62 0.990 -13.368 -8.934 1.00 0.74 C ATOM 946 O GLU A 62 1.500 -13.819 -9.957 1.00 0.84 O ATOM 947 CB GLU A 62 -1.241 -12.817 -9.917 1.00 0.86 C ATOM 948 CG GLU A 62 -2.546 -12.100 -9.619 1.00 1.45 C ATOM 949 CD GLU A 62 -3.620 -12.313 -10.660 1.00 1.62 C ATOM 950 OE1 GLU A 62 -3.498 -11.746 -11.762 1.00 1.85 O ATOM 951 OE2 GLU A 62 -4.575 -13.075 -10.394 1.00 1.75 O ATOM 0 H GLU A 62 -0.062 -10.793 -10.322 1.00 0.68 H new ATOM 0 HA GLU A 62 -0.551 -12.317 -7.970 1.00 0.73 H new ATOM 0 HB2 GLU A 62 -0.942 -12.619 -10.946 1.00 0.86 H new ATOM 0 HB3 GLU A 62 -1.387 -13.894 -9.829 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -2.920 -12.437 -8.652 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -2.349 -11.032 -9.530 1.00 1.45 H new ATOM 958 N GLY A 63 1.397 -13.663 -7.723 1.00 0.76 N ATOM 959 CA GLY A 63 2.565 -14.473 -7.497 1.00 0.86 C ATOM 960 C GLY A 63 3.591 -13.706 -6.688 1.00 0.80 C ATOM 961 O GLY A 63 4.472 -14.289 -6.051 1.00 0.92 O ATOM 0 H GLY A 63 0.930 -13.350 -6.872 1.00 0.76 H new ATOM 0 HA2 GLY A 63 2.286 -15.386 -6.971 1.00 0.86 H new ATOM 0 HA3 GLY A 63 2.997 -14.775 -8.451 1.00 0.86 H new ATOM 965 N GLY A 64 3.462 -12.382 -6.728 1.00 0.67 N ATOM 966 CA GLY A 64 4.260 -11.506 -5.894 1.00 0.66 C ATOM 967 C GLY A 64 3.823 -11.566 -4.466 1.00 0.63 C ATOM 968 O GLY A 64 2.669 -11.850 -4.183 1.00 0.99 O ATOM 0 H GLY A 64 2.804 -11.895 -7.337 1.00 0.67 H new ATOM 0 HA2 GLY A 64 5.310 -11.789 -5.967 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.180 -10.482 -6.258 1.00 0.66 H new ATOM 972 N PRO A 65 4.745 -11.292 -3.554 1.00 0.37 N ATOM 973 CA PRO A 65 4.514 -11.372 -2.109 1.00 0.27 C ATOM 974 C PRO A 65 3.230 -10.703 -1.646 1.00 0.23 C ATOM 975 O PRO A 65 2.601 -11.134 -0.680 1.00 0.29 O ATOM 976 CB PRO A 65 5.724 -10.646 -1.554 1.00 0.32 C ATOM 977 CG PRO A 65 6.801 -10.876 -2.545 1.00 0.43 C ATOM 978 CD PRO A 65 6.127 -10.888 -3.876 1.00 0.44 C ATOM 0 HA PRO A 65 4.397 -12.403 -1.775 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.523 -9.582 -1.431 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.001 -11.034 -0.574 1.00 0.32 H new ATOM 0 HG2 PRO A 65 7.554 -10.090 -2.494 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.312 -11.820 -2.356 1.00 0.43 H new ATOM 0 HD2 PRO A 65 6.159 -9.908 -4.352 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.602 -11.590 -4.561 1.00 0.44 H new ATOM 986 N ALA A 66 2.836 -9.673 -2.346 1.00 0.22 N ATOM 987 CA ALA A 66 1.637 -8.940 -2.018 1.00 0.24 C ATOM 988 C ALA A 66 0.385 -9.792 -2.230 1.00 0.29 C ATOM 989 O ALA A 66 -0.636 -9.576 -1.594 1.00 0.36 O ATOM 990 CB ALA A 66 1.607 -7.714 -2.875 1.00 0.27 C ATOM 0 H ALA A 66 3.336 -9.316 -3.161 1.00 0.22 H new ATOM 0 HA ALA A 66 1.646 -8.664 -0.964 1.00 0.24 H new ATOM 0 HB1 ALA A 66 0.711 -7.136 -2.651 1.00 0.27 H new ATOM 0 HB2 ALA A 66 2.490 -7.107 -2.673 1.00 0.27 H new ATOM 0 HB3 ALA A 66 1.599 -8.005 -3.926 1.00 0.27 H new ATOM 996 N GLU A 67 0.483 -10.754 -3.132 1.00 0.30 N ATOM 997 CA GLU A 67 -0.578 -11.734 -3.368 1.00 0.42 C ATOM 998 C GLU A 67 -0.709 -12.658 -2.157 1.00 0.39 C ATOM 999 O GLU A 67 -1.799 -13.108 -1.814 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.250 -12.530 -4.643 1.00 0.53 C ATOM 1001 CG GLU A 67 -0.867 -13.920 -4.736 1.00 0.77 C ATOM 1002 CD GLU A 67 -2.336 -13.922 -5.114 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -2.718 -13.146 -6.019 1.00 1.79 O ATOM 1004 OE2 GLU A 67 -3.122 -14.647 -4.468 1.00 1.54 O ATOM 0 H GLU A 67 1.302 -10.883 -3.727 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.533 -11.227 -3.508 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -0.578 -11.949 -5.505 1.00 0.53 H new ATOM 0 HB3 GLU A 67 0.833 -12.628 -4.718 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -0.313 -14.503 -5.472 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -0.749 -14.423 -3.776 1.00 0.77 H new ATOM 1011 N ILE A 68 0.412 -12.896 -1.488 1.00 0.31 N ATOM 1012 CA ILE A 68 0.446 -13.799 -0.346 1.00 0.31 C ATOM 1013 C ILE A 68 -0.046 -13.077 0.902 1.00 0.28 C ATOM 1014 O ILE A 68 -0.727 -13.655 1.748 1.00 0.34 O ATOM 1015 CB ILE A 68 1.872 -14.364 -0.102 1.00 0.30 C ATOM 1016 CG1 ILE A 68 2.340 -15.209 -1.293 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.914 -15.200 1.166 1.00 0.32 C ATOM 1018 CD1 ILE A 68 2.645 -14.412 -2.537 1.00 0.51 C ATOM 0 H ILE A 68 1.312 -12.475 -1.718 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.212 -14.639 -0.567 1.00 0.31 H new ATOM 0 HB ILE A 68 2.546 -13.515 0.012 1.00 0.30 H new ATOM 0 HG12 ILE A 68 3.233 -15.763 -1.002 1.00 0.39 H new ATOM 0 HG13 ILE A 68 1.570 -15.945 -1.526 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.923 -15.584 1.315 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.631 -14.582 2.019 1.00 0.32 H new ATOM 0 HG23 ILE A 68 1.218 -16.034 1.075 1.00 0.32 H new ATOM 0 HD11 ILE A 68 2.969 -15.086 -3.330 1.00 0.51 H new ATOM 0 HD12 ILE A 68 1.749 -13.879 -2.856 1.00 0.51 H new ATOM 0 HD13 ILE A 68 3.437 -13.694 -2.324 1.00 0.51 H new ATOM 1030 N ALA A 69 0.303 -11.803 1.000 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.149 -10.972 2.103 1.00 0.24 C ATOM 1032 C ALA A 69 -1.578 -10.501 1.864 1.00 0.31 C ATOM 1033 O ALA A 69 -2.348 -10.331 2.809 1.00 0.41 O ATOM 1034 CB ALA A 69 0.779 -9.783 2.289 1.00 0.24 C ATOM 0 H ALA A 69 0.899 -11.322 0.327 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.130 -11.569 3.015 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.425 -9.172 3.119 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.787 -10.138 2.504 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.791 -9.185 1.378 1.00 0.24 H new ATOM 1040 N GLY A 70 -1.933 -10.310 0.597 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.281 -9.877 0.267 1.00 0.41 C ATOM 1042 C GLY A 70 -3.396 -8.380 0.022 1.00 0.36 C ATOM 1043 O GLY A 70 -4.002 -7.666 0.819 1.00 0.45 O ATOM 0 H GLY A 70 -1.316 -10.446 -0.204 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.617 -10.409 -0.623 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -3.953 -10.157 1.079 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.821 -7.907 -1.076 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.871 -6.486 -1.420 1.00 0.30 C ATOM 1049 C LEU A 71 -3.649 -6.297 -2.725 1.00 0.24 C ATOM 1050 O LEU A 71 -3.774 -7.237 -3.513 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.448 -5.939 -1.530 1.00 0.38 C ATOM 1052 CG LEU A 71 -1.325 -4.423 -1.620 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -2.017 -3.751 -0.443 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.139 -4.039 -1.671 1.00 0.87 C ATOM 0 H LEU A 71 -2.313 -8.485 -1.746 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.389 -5.930 -0.638 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.880 -6.280 -0.664 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.978 -6.376 -2.411 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.817 -4.081 -2.531 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.915 -2.669 -0.530 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -3.074 -4.017 -0.442 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.558 -4.085 0.488 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.229 -2.955 -1.735 1.00 0.87 H new ATOM 0 HD22 LEU A 71 0.639 -4.392 -0.769 1.00 0.87 H new ATOM 0 HD23 LEU A 71 0.604 -4.494 -2.545 1.00 0.87 H new ATOM 1066 N GLN A 72 -4.174 -5.093 -2.964 1.00 0.24 N ATOM 1067 CA GLN A 72 -5.203 -4.928 -3.984 1.00 0.33 C ATOM 1068 C GLN A 72 -4.899 -3.874 -5.052 1.00 0.25 C ATOM 1069 O GLN A 72 -5.834 -3.284 -5.595 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.497 -4.577 -3.294 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.822 -5.531 -2.165 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.776 -4.942 -1.158 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -7.697 -3.643 -0.969 1.00 1.21 O flip ATOM 1074 NE2 GLN A 72 -8.569 -5.649 -0.538 1.00 0.64 N flip ATOM 0 H GLN A 72 -3.909 -4.238 -2.476 1.00 0.24 H new ATOM 0 HA GLN A 72 -5.257 -5.874 -4.522 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.434 -3.562 -2.902 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -7.309 -4.588 -4.021 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -7.255 -6.442 -2.579 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -5.899 -5.817 -1.660 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -8.601 -6.653 -0.712 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -9.195 -5.231 0.150 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.623 -3.637 -5.374 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.285 -2.902 -6.584 1.00 0.26 C ATOM 1085 C ILE A 73 -3.508 -1.371 -6.493 1.00 0.23 C ATOM 1086 O ILE A 73 -2.999 -0.631 -7.334 1.00 0.31 O ATOM 1087 CB ILE A 73 -4.087 -3.515 -7.772 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.579 -4.932 -8.071 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -4.025 -2.650 -9.012 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -4.376 -5.670 -9.126 1.00 0.77 C ATOM 0 H ILE A 73 -2.823 -3.941 -4.819 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.211 -3.010 -6.738 1.00 0.26 H new ATOM 0 HB ILE A 73 -5.134 -3.564 -7.474 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -2.539 -4.872 -8.393 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -3.594 -5.513 -7.149 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -4.598 -3.119 -9.812 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -4.444 -1.668 -8.792 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.987 -2.539 -9.327 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.950 -6.662 -9.276 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -5.412 -5.765 -8.799 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -4.341 -5.115 -10.063 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.163 -0.874 -5.446 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.658 0.503 -5.507 1.00 0.25 C ATOM 1104 C GLY A 74 -5.094 1.046 -4.163 1.00 0.29 C ATOM 1105 O GLY A 74 -6.196 1.577 -4.021 1.00 0.37 O ATOM 0 H GLY A 74 -4.358 -1.376 -4.580 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -3.876 1.145 -5.913 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.499 0.548 -6.199 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.210 0.935 -3.197 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.523 1.254 -1.808 1.00 0.34 C ATOM 1111 C ASP A 75 -3.575 2.330 -1.282 1.00 0.30 C ATOM 1112 O ASP A 75 -2.412 2.359 -1.660 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.435 -0.007 -0.944 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.364 -1.110 -1.417 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.567 -1.064 -1.076 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -4.895 -2.033 -2.121 1.00 0.89 O ATOM 0 H ASP A 75 -3.251 0.621 -3.345 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.541 1.639 -1.759 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.409 -0.375 -0.950 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.677 0.248 0.088 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.061 3.187 -0.387 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.269 4.312 0.124 1.00 0.28 C ATOM 1123 C LYS A 76 -2.521 3.912 1.393 1.00 0.28 C ATOM 1124 O LYS A 76 -3.123 3.553 2.390 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.155 5.537 0.407 1.00 0.34 C ATOM 1126 CG LYS A 76 -4.457 6.405 -0.817 1.00 0.74 C ATOM 1127 CD LYS A 76 -5.413 5.727 -1.790 1.00 1.17 C ATOM 1128 CE LYS A 76 -5.581 6.531 -3.072 1.00 1.55 C ATOM 1129 NZ LYS A 76 -6.220 7.850 -2.834 1.00 2.20 N ATOM 0 H LYS A 76 -5.002 3.127 0.003 1.00 0.30 H new ATOM 0 HA LYS A 76 -2.546 4.580 -0.647 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.098 5.195 0.835 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -3.668 6.154 1.162 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -4.887 7.352 -0.490 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -3.525 6.639 -1.332 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -5.040 4.732 -2.032 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -6.384 5.596 -1.313 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -4.605 6.681 -3.534 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -6.184 5.961 -3.779 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -6.359 8.338 -3.742 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -7.141 7.711 -2.371 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -5.608 8.427 -2.221 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.212 4.014 1.352 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.352 3.493 2.402 1.00 0.27 C ATOM 1145 C ILE A 77 -0.277 4.425 3.597 1.00 0.25 C ATOM 1146 O ILE A 77 0.122 5.587 3.477 1.00 0.29 O ATOM 1147 CB ILE A 77 1.046 3.250 1.835 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.958 2.117 0.816 1.00 0.36 C ATOM 1149 CG2 ILE A 77 2.089 2.967 2.932 1.00 0.38 C ATOM 1150 CD1 ILE A 77 1.748 2.386 -0.438 1.00 0.49 C ATOM 0 H ILE A 77 -0.707 4.462 0.588 1.00 0.28 H new ATOM 0 HA ILE A 77 -0.782 2.555 2.754 1.00 0.27 H new ATOM 0 HB ILE A 77 1.395 4.158 1.343 1.00 0.31 H new ATOM 0 HG12 ILE A 77 1.318 1.196 1.274 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.087 1.955 0.552 1.00 0.36 H new ATOM 0 HG21 ILE A 77 3.064 2.802 2.473 1.00 0.38 H new ATOM 0 HG22 ILE A 77 2.146 3.820 3.608 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.796 2.079 3.492 1.00 0.38 H new ATOM 0 HD11 ILE A 77 1.644 1.543 -1.121 1.00 0.49 H new ATOM 0 HD12 ILE A 77 1.373 3.290 -0.917 1.00 0.49 H new ATOM 0 HD13 ILE A 77 2.800 2.520 -0.184 1.00 0.49 H new ATOM 1162 N MET A 78 -0.688 3.888 4.742 1.00 0.22 N ATOM 1163 CA MET A 78 -0.652 4.597 6.007 1.00 0.24 C ATOM 1164 C MET A 78 0.681 4.408 6.708 1.00 0.24 C ATOM 1165 O MET A 78 1.049 5.188 7.583 1.00 0.30 O ATOM 1166 CB MET A 78 -1.766 4.098 6.926 1.00 0.33 C ATOM 1167 CG MET A 78 -3.158 4.136 6.322 1.00 0.32 C ATOM 1168 SD MET A 78 -3.767 5.817 6.068 1.00 0.75 S ATOM 1169 CE MET A 78 -2.859 6.279 4.597 1.00 1.06 C ATOM 0 H MET A 78 -1.058 2.940 4.813 1.00 0.22 H new ATOM 0 HA MET A 78 -0.792 5.656 5.791 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.542 3.073 7.221 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.764 4.699 7.835 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.149 3.610 5.367 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.847 3.600 6.975 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.422 7.030 4.043 1.00 1.06 H new ATOM 0 HE2 MET A 78 -1.890 6.689 4.881 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.712 5.400 3.969 1.00 1.06 H new ATOM 1179 N GLN A 79 1.393 3.360 6.341 1.00 0.23 N ATOM 1180 CA GLN A 79 2.670 3.061 6.963 1.00 0.23 C ATOM 1181 C GLN A 79 3.387 1.930 6.234 1.00 0.24 C ATOM 1182 O GLN A 79 2.764 1.131 5.536 1.00 0.24 O ATOM 1183 CB GLN A 79 2.478 2.704 8.450 1.00 0.26 C ATOM 1184 CG GLN A 79 3.361 1.561 8.917 1.00 0.54 C ATOM 1185 CD GLN A 79 3.316 1.329 10.406 1.00 0.50 C ATOM 1186 OE1 GLN A 79 3.192 2.399 11.167 1.00 0.82 O flip ATOM 1187 NE2 GLN A 79 3.434 0.197 10.869 1.00 0.43 N flip ATOM 0 H GLN A 79 1.110 2.701 5.616 1.00 0.23 H new ATOM 0 HA GLN A 79 3.291 3.954 6.895 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.687 3.585 9.057 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.434 2.439 8.620 1.00 0.26 H new ATOM 0 HG2 GLN A 79 3.057 0.647 8.407 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.390 1.764 8.621 1.00 0.54 H new ATOM 0 HE21 GLN A 79 3.527 -0.603 10.243 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.439 0.057 11.879 1.00 0.43 H new ATOM 1196 N VAL A 80 4.701 1.873 6.400 1.00 0.28 N ATOM 1197 CA VAL A 80 5.485 0.765 5.899 1.00 0.35 C ATOM 1198 C VAL A 80 6.659 0.494 6.841 1.00 0.31 C ATOM 1199 O VAL A 80 7.401 1.408 7.203 1.00 0.31 O ATOM 1200 CB VAL A 80 5.993 1.006 4.458 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.024 2.117 4.406 1.00 0.85 C ATOM 1202 CG2 VAL A 80 6.556 -0.274 3.878 1.00 1.31 C ATOM 0 H VAL A 80 5.245 2.589 6.882 1.00 0.28 H new ATOM 0 HA VAL A 80 4.834 -0.109 5.863 1.00 0.35 H new ATOM 0 HB VAL A 80 5.143 1.322 3.854 1.00 0.52 H new ATOM 0 HG11 VAL A 80 7.357 2.257 3.378 1.00 0.85 H new ATOM 0 HG12 VAL A 80 6.580 3.043 4.773 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.877 1.851 5.030 1.00 0.85 H new ATOM 0 HG21 VAL A 80 6.910 -0.089 2.864 1.00 1.31 H new ATOM 0 HG22 VAL A 80 7.386 -0.619 4.495 1.00 1.31 H new ATOM 0 HG23 VAL A 80 5.778 -1.037 3.858 1.00 1.31 H new ATOM 1212 N ASN A 81 6.776 -0.755 7.283 1.00 0.34 N ATOM 1213 CA ASN A 81 7.856 -1.187 8.178 1.00 0.38 C ATOM 1214 C ASN A 81 7.812 -0.467 9.527 1.00 0.34 C ATOM 1215 O ASN A 81 8.737 -0.590 10.328 1.00 0.40 O ATOM 1216 CB ASN A 81 9.231 -0.963 7.538 1.00 0.46 C ATOM 1217 CG ASN A 81 9.594 -1.985 6.472 1.00 0.70 C ATOM 1218 OD1 ASN A 81 10.755 -2.360 6.352 1.00 1.50 O ATOM 1219 ND2 ASN A 81 8.627 -2.419 5.674 1.00 1.18 N ATOM 0 H ASN A 81 6.126 -1.500 7.033 1.00 0.34 H new ATOM 0 HA ASN A 81 7.701 -2.252 8.348 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.256 0.033 7.095 1.00 0.46 H new ATOM 0 HB3 ASN A 81 9.991 -0.983 8.319 1.00 0.46 H new ATOM 0 HD21 ASN A 81 8.839 -3.086 4.932 1.00 1.18 H new ATOM 0 HD22 ASN A 81 7.672 -2.086 5.803 1.00 1.18 H new ATOM 1226 N GLY A 82 6.739 0.267 9.785 1.00 0.32 N ATOM 1227 CA GLY A 82 6.650 1.020 11.018 1.00 0.34 C ATOM 1228 C GLY A 82 6.701 2.516 10.788 1.00 0.31 C ATOM 1229 O GLY A 82 6.432 3.295 11.699 1.00 0.38 O ATOM 0 H GLY A 82 5.933 0.354 9.166 1.00 0.32 H new ATOM 0 HA2 GLY A 82 5.722 0.766 11.529 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.467 0.729 11.678 1.00 0.34 H new ATOM 1233 N TRP A 83 7.034 2.922 9.568 1.00 0.28 N ATOM 1234 CA TRP A 83 7.109 4.341 9.240 1.00 0.28 C ATOM 1235 C TRP A 83 5.739 4.885 8.923 1.00 0.29 C ATOM 1236 O TRP A 83 4.938 4.226 8.280 1.00 0.48 O ATOM 1237 CB TRP A 83 8.031 4.608 8.064 1.00 0.30 C ATOM 1238 CG TRP A 83 9.452 4.298 8.358 1.00 0.33 C ATOM 1239 CD1 TRP A 83 10.029 3.079 8.294 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.474 5.213 8.769 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.354 3.168 8.617 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.652 4.464 8.924 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.511 6.586 9.024 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.856 5.037 9.307 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.710 7.154 9.410 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.867 6.377 9.553 1.00 0.76 C ATOM 0 H TRP A 83 7.255 2.294 8.795 1.00 0.28 H new ATOM 0 HA TRP A 83 7.516 4.844 10.117 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.704 4.013 7.211 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.946 5.655 7.774 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.518 2.166 8.026 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.014 2.391 8.627 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.622 7.190 8.922 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.752 4.442 9.407 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.756 8.215 9.605 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.787 6.850 9.865 1.00 0.76 H new ATOM 1257 N ASP A 84 5.514 6.105 9.337 1.00 0.39 N ATOM 1258 CA ASP A 84 4.187 6.712 9.295 1.00 0.41 C ATOM 1259 C ASP A 84 3.955 7.483 7.995 1.00 0.40 C ATOM 1260 O ASP A 84 4.578 8.520 7.753 1.00 0.59 O ATOM 1261 CB ASP A 84 4.038 7.628 10.510 1.00 0.62 C ATOM 1262 CG ASP A 84 2.636 8.178 10.688 1.00 1.16 C ATOM 1263 OD1 ASP A 84 1.738 7.397 11.067 1.00 1.89 O ATOM 1264 OD2 ASP A 84 2.422 9.374 10.417 1.00 1.28 O ATOM 0 H ASP A 84 6.239 6.715 9.715 1.00 0.39 H new ATOM 0 HA ASP A 84 3.433 5.926 9.326 1.00 0.41 H new ATOM 0 HB2 ASP A 84 4.319 7.076 11.407 1.00 0.62 H new ATOM 0 HB3 ASP A 84 4.736 8.460 10.415 1.00 0.62 H new ATOM 1269 N MET A 85 3.068 6.956 7.158 1.00 0.36 N ATOM 1270 CA MET A 85 2.801 7.524 5.846 1.00 0.46 C ATOM 1271 C MET A 85 1.432 8.179 5.771 1.00 0.36 C ATOM 1272 O MET A 85 0.406 7.542 6.006 1.00 0.56 O ATOM 1273 CB MET A 85 2.884 6.446 4.773 1.00 0.76 C ATOM 1274 CG MET A 85 4.173 5.665 4.807 1.00 0.49 C ATOM 1275 SD MET A 85 5.620 6.726 4.723 1.00 1.01 S ATOM 1276 CE MET A 85 6.886 5.497 4.937 1.00 0.44 C ATOM 0 H MET A 85 2.516 6.125 7.371 1.00 0.36 H new ATOM 0 HA MET A 85 3.560 8.288 5.676 1.00 0.46 H new ATOM 0 HB2 MET A 85 2.048 5.758 4.895 1.00 0.76 H new ATOM 0 HB3 MET A 85 2.775 6.910 3.793 1.00 0.76 H new ATOM 0 HG2 MET A 85 4.212 5.074 5.722 1.00 0.49 H new ATOM 0 HG3 MET A 85 4.192 4.963 3.973 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.853 5.987 5.055 1.00 0.44 H new ATOM 0 HE2 MET A 85 6.670 4.903 5.825 1.00 0.44 H new ATOM 0 HE3 MET A 85 6.913 4.846 4.063 1.00 0.44 H new ATOM 1286 N THR A 86 1.423 9.447 5.437 1.00 0.31 N ATOM 1287 CA THR A 86 0.201 10.134 5.061 1.00 0.35 C ATOM 1288 C THR A 86 0.473 11.018 3.858 1.00 0.46 C ATOM 1289 O THR A 86 0.073 10.715 2.736 1.00 1.05 O ATOM 1290 CB THR A 86 -0.360 10.999 6.208 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.689 11.792 6.778 1.00 0.47 O ATOM 1292 CG2 THR A 86 -1.004 10.141 7.284 1.00 0.37 C ATOM 0 H THR A 86 2.257 10.034 5.417 1.00 0.31 H new ATOM 0 HA THR A 86 -0.544 9.375 4.823 1.00 0.35 H new ATOM 0 HB THR A 86 -1.128 11.653 5.794 1.00 0.36 H new ATOM 0 HG1 THR A 86 0.326 12.340 7.505 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.389 10.781 8.078 1.00 0.37 H new ATOM 0 HG22 THR A 86 -1.823 9.568 6.850 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.262 9.458 7.697 1.00 0.37 H new ATOM 1300 N MET A 87 1.190 12.097 4.103 1.00 0.56 N ATOM 1301 CA MET A 87 1.577 13.022 3.060 1.00 0.65 C ATOM 1302 C MET A 87 3.078 13.192 3.082 1.00 0.76 C ATOM 1303 O MET A 87 3.588 14.270 3.372 1.00 1.49 O ATOM 1304 CB MET A 87 0.900 14.381 3.253 1.00 0.84 C ATOM 1305 CG MET A 87 -0.012 14.433 4.474 1.00 0.97 C ATOM 1306 SD MET A 87 -0.562 16.097 4.900 1.00 1.36 S ATOM 1307 CE MET A 87 -1.623 15.740 6.303 1.00 1.62 C ATOM 0 H MET A 87 1.520 12.356 5.033 1.00 0.56 H new ATOM 0 HA MET A 87 1.260 12.619 2.098 1.00 0.65 H new ATOM 0 HB2 MET A 87 1.666 15.151 3.347 1.00 0.84 H new ATOM 0 HB3 MET A 87 0.318 14.619 2.363 1.00 0.84 H new ATOM 0 HG2 MET A 87 -0.885 13.807 4.291 1.00 0.97 H new ATOM 0 HG3 MET A 87 0.514 14.004 5.327 1.00 0.97 H new ATOM 0 HE1 MET A 87 -2.045 16.669 6.686 1.00 1.62 H new ATOM 0 HE2 MET A 87 -2.430 15.077 5.990 1.00 1.62 H new ATOM 0 HE3 MET A 87 -1.040 15.256 7.086 1.00 1.62 H new ATOM 1317 N VAL A 88 3.784 12.108 2.840 1.00 0.40 N ATOM 1318 CA VAL A 88 5.218 12.146 2.774 1.00 0.45 C ATOM 1319 C VAL A 88 5.654 11.868 1.333 1.00 0.36 C ATOM 1320 O VAL A 88 4.805 11.664 0.470 1.00 0.39 O ATOM 1321 CB VAL A 88 5.809 11.146 3.784 1.00 0.60 C ATOM 1322 CG1 VAL A 88 5.769 9.715 3.270 1.00 0.72 C ATOM 1323 CG2 VAL A 88 7.204 11.569 4.184 1.00 1.09 C ATOM 0 H VAL A 88 3.378 11.185 2.685 1.00 0.40 H new ATOM 0 HA VAL A 88 5.597 13.131 3.048 1.00 0.45 H new ATOM 0 HB VAL A 88 5.182 11.160 4.676 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.197 9.048 4.018 1.00 0.72 H new ATOM 0 HG12 VAL A 88 4.736 9.427 3.075 1.00 0.72 H new ATOM 0 HG13 VAL A 88 6.346 9.643 2.348 1.00 0.72 H new ATOM 0 HG21 VAL A 88 7.610 10.853 4.899 1.00 1.09 H new ATOM 0 HG22 VAL A 88 7.842 11.602 3.301 1.00 1.09 H new ATOM 0 HG23 VAL A 88 7.167 12.558 4.642 1.00 1.09 H new ATOM 1333 N THR A 89 6.942 11.912 1.050 1.00 0.31 N ATOM 1334 CA THR A 89 7.425 11.711 -0.300 1.00 0.28 C ATOM 1335 C THR A 89 7.299 10.242 -0.728 1.00 0.26 C ATOM 1336 O THR A 89 7.296 9.347 0.115 1.00 0.26 O ATOM 1337 CB THR A 89 8.888 12.190 -0.407 1.00 0.31 C ATOM 1338 OG1 THR A 89 9.725 11.409 0.449 1.00 0.32 O ATOM 1339 CG2 THR A 89 8.985 13.658 -0.011 1.00 0.35 C ATOM 0 H THR A 89 7.673 12.086 1.740 1.00 0.31 H new ATOM 0 HA THR A 89 6.807 12.300 -0.978 1.00 0.28 H new ATOM 0 HB THR A 89 9.220 12.071 -1.438 1.00 0.31 H new ATOM 0 HG1 THR A 89 10.651 11.719 0.373 1.00 0.32 H new ATOM 0 HG21 THR A 89 10.021 13.988 -0.089 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.362 14.256 -0.676 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.641 13.781 1.016 1.00 0.35 H new ATOM 1347 N HIS A 90 7.169 10.003 -2.042 1.00 0.26 N ATOM 1348 CA HIS A 90 7.102 8.636 -2.580 1.00 0.25 C ATOM 1349 C HIS A 90 8.322 7.888 -2.155 1.00 0.27 C ATOM 1350 O HIS A 90 8.266 6.729 -1.758 1.00 0.30 O ATOM 1351 CB HIS A 90 7.073 8.637 -4.108 1.00 0.25 C ATOM 1352 CG HIS A 90 6.873 7.276 -4.730 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.068 7.027 -6.072 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.396 6.118 -4.211 1.00 0.27 C ATOM 1355 CE1 HIS A 90 6.709 5.790 -6.348 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.305 5.216 -5.240 1.00 0.32 N ATOM 0 H HIS A 90 7.108 10.736 -2.749 1.00 0.26 H new ATOM 0 HA HIS A 90 6.190 8.172 -2.203 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.273 9.297 -4.443 1.00 0.25 H new ATOM 0 HB3 HIS A 90 8.009 9.057 -4.477 1.00 0.25 H new ATOM 0 HD1 HIS A 90 7.434 7.698 -6.748 1.00 0.32 H new ATOM 0 HD2 HIS A 90 6.136 5.939 -3.178 1.00 0.27 H new ATOM 0 HE1 HIS A 90 6.742 5.326 -7.323 1.00 0.35 H new ATOM 1365 N ASP A 91 9.414 8.599 -2.233 1.00 0.31 N ATOM 1366 CA ASP A 91 10.720 8.020 -1.957 1.00 0.34 C ATOM 1367 C ASP A 91 10.821 7.659 -0.502 1.00 0.32 C ATOM 1368 O ASP A 91 11.502 6.705 -0.146 1.00 0.33 O ATOM 1369 CB ASP A 91 11.872 8.933 -2.360 1.00 0.41 C ATOM 1370 CG ASP A 91 12.088 8.950 -3.858 1.00 1.03 C ATOM 1371 OD1 ASP A 91 12.241 7.865 -4.451 1.00 1.45 O ATOM 1372 OD2 ASP A 91 12.090 10.049 -4.455 1.00 1.67 O ATOM 0 H ASP A 91 9.435 9.587 -2.486 1.00 0.31 H new ATOM 0 HA ASP A 91 10.809 7.121 -2.568 1.00 0.34 H new ATOM 0 HB2 ASP A 91 11.670 9.946 -2.012 1.00 0.41 H new ATOM 0 HB3 ASP A 91 12.786 8.602 -1.866 1.00 0.41 H new ATOM 1377 N GLN A 92 10.125 8.407 0.345 1.00 0.31 N ATOM 1378 CA GLN A 92 10.124 8.116 1.750 1.00 0.32 C ATOM 1379 C GLN A 92 9.587 6.719 1.973 1.00 0.29 C ATOM 1380 O GLN A 92 10.248 5.876 2.562 1.00 0.31 O ATOM 1381 CB GLN A 92 9.237 9.111 2.471 1.00 0.36 C ATOM 1382 CG GLN A 92 8.997 8.749 3.908 1.00 0.42 C ATOM 1383 CD GLN A 92 10.128 9.168 4.808 1.00 0.57 C ATOM 1384 OE1 GLN A 92 11.091 8.431 5.018 1.00 0.77 O ATOM 1385 NE2 GLN A 92 10.000 10.355 5.356 1.00 0.62 N ATOM 0 H GLN A 92 9.561 9.212 0.074 1.00 0.31 H new ATOM 0 HA GLN A 92 11.141 8.185 2.136 1.00 0.32 H new ATOM 0 HB2 GLN A 92 9.695 10.099 2.423 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.280 9.177 1.954 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.074 9.219 4.248 1.00 0.42 H new ATOM 0 HG3 GLN A 92 8.854 7.671 3.988 1.00 0.42 H new ATOM 0 HE21 GLN A 92 9.181 10.927 5.149 1.00 0.62 H new ATOM 0 HE22 GLN A 92 10.719 10.705 5.989 1.00 0.62 H new ATOM 1394 N ALA A 93 8.410 6.465 1.429 1.00 0.27 N ATOM 1395 CA ALA A 93 7.750 5.193 1.634 1.00 0.28 C ATOM 1396 C ALA A 93 8.426 4.111 0.813 1.00 0.28 C ATOM 1397 O ALA A 93 8.471 2.953 1.210 1.00 0.33 O ATOM 1398 CB ALA A 93 6.279 5.307 1.290 1.00 0.33 C ATOM 0 H ALA A 93 7.895 7.122 0.844 1.00 0.27 H new ATOM 0 HA ALA A 93 7.830 4.915 2.685 1.00 0.28 H new ATOM 0 HB1 ALA A 93 5.793 4.344 1.448 1.00 0.33 H new ATOM 0 HB2 ALA A 93 5.813 6.058 1.928 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.171 5.601 0.246 1.00 0.33 H new ATOM 1404 N ARG A 94 8.974 4.517 -0.320 1.00 0.27 N ATOM 1405 CA ARG A 94 9.693 3.615 -1.208 1.00 0.30 C ATOM 1406 C ARG A 94 10.927 3.058 -0.515 1.00 0.33 C ATOM 1407 O ARG A 94 11.171 1.851 -0.526 1.00 0.37 O ATOM 1408 CB ARG A 94 10.118 4.371 -2.462 1.00 0.34 C ATOM 1409 CG ARG A 94 10.713 3.500 -3.552 1.00 0.43 C ATOM 1410 CD ARG A 94 11.218 4.360 -4.699 1.00 0.57 C ATOM 1411 NE ARG A 94 11.895 3.581 -5.729 1.00 1.04 N ATOM 1412 CZ ARG A 94 12.504 4.124 -6.783 1.00 1.41 C ATOM 1413 NH1 ARG A 94 12.563 5.446 -6.912 1.00 1.57 N ATOM 1414 NH2 ARG A 94 13.075 3.347 -7.693 1.00 2.10 N ATOM 0 H ARG A 94 8.934 5.481 -0.651 1.00 0.27 H new ATOM 0 HA ARG A 94 9.035 2.788 -1.476 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.252 4.895 -2.866 1.00 0.34 H new ATOM 0 HB3 ARG A 94 10.848 5.131 -2.183 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.532 2.906 -3.146 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.962 2.799 -3.917 1.00 0.43 H new ATOM 0 HD2 ARG A 94 10.379 4.893 -5.145 1.00 0.57 H new ATOM 0 HD3 ARG A 94 11.903 5.113 -4.309 1.00 0.57 H new ATOM 0 HE ARG A 94 11.903 2.565 -5.638 1.00 1.04 H new ATOM 0 HH11 ARG A 94 12.142 6.047 -6.204 1.00 1.57 H new ATOM 0 HH12 ARG A 94 13.030 5.859 -7.719 1.00 1.57 H new ATOM 0 HH21 ARG A 94 13.048 2.333 -7.587 1.00 2.10 H new ATOM 0 HH22 ARG A 94 13.541 3.763 -8.499 1.00 2.10 H new ATOM 1428 N LYS A 95 11.687 3.946 0.108 1.00 0.33 N ATOM 1429 CA LYS A 95 12.943 3.591 0.707 1.00 0.40 C ATOM 1430 C LYS A 95 12.701 2.764 1.962 1.00 0.42 C ATOM 1431 O LYS A 95 13.387 1.773 2.213 1.00 0.46 O ATOM 1432 CB LYS A 95 13.716 4.875 1.024 1.00 0.46 C ATOM 1433 CG LYS A 95 15.123 4.663 1.543 1.00 0.64 C ATOM 1434 CD LYS A 95 15.122 4.306 3.025 1.00 0.56 C ATOM 1435 CE LYS A 95 16.034 3.126 3.332 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.454 3.422 3.016 1.00 0.96 N ATOM 0 H LYS A 95 11.441 4.931 0.207 1.00 0.33 H new ATOM 0 HA LYS A 95 13.534 2.985 0.020 1.00 0.40 H new ATOM 0 HB2 LYS A 95 13.766 5.484 0.121 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.154 5.446 1.763 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.605 3.867 0.976 1.00 0.64 H new ATOM 0 HG3 LYS A 95 15.711 5.568 1.386 1.00 0.64 H new ATOM 0 HD2 LYS A 95 15.442 5.171 3.606 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.106 4.069 3.339 1.00 0.56 H new ATOM 0 HE2 LYS A 95 15.945 2.864 4.386 1.00 0.60 H new ATOM 0 HE3 LYS A 95 15.709 2.258 2.759 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.046 2.611 3.287 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.553 3.597 1.996 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.759 4.265 3.543 1.00 0.96 H new ATOM 1450 N ARG A 96 11.711 3.173 2.744 1.00 0.45 N ATOM 1451 CA ARG A 96 11.400 2.482 3.985 1.00 0.51 C ATOM 1452 C ARG A 96 10.821 1.104 3.691 1.00 0.57 C ATOM 1453 O ARG A 96 10.871 0.206 4.527 1.00 0.72 O ATOM 1454 CB ARG A 96 10.430 3.283 4.857 1.00 0.55 C ATOM 1455 CG ARG A 96 10.832 4.733 5.070 1.00 0.59 C ATOM 1456 CD ARG A 96 12.275 4.880 5.524 1.00 0.72 C ATOM 1457 NE ARG A 96 12.679 6.284 5.551 1.00 1.98 N ATOM 1458 CZ ARG A 96 13.879 6.722 5.929 1.00 2.35 C ATOM 1459 NH1 ARG A 96 14.810 5.874 6.358 1.00 1.58 N ATOM 1460 NH2 ARG A 96 14.143 8.018 5.877 1.00 3.57 N ATOM 0 H ARG A 96 11.114 3.975 2.542 1.00 0.45 H new ATOM 0 HA ARG A 96 12.332 2.373 4.540 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.441 3.256 4.399 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.345 2.795 5.828 1.00 0.55 H new ATOM 0 HG2 ARG A 96 10.689 5.286 4.141 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.174 5.183 5.813 1.00 0.59 H new ATOM 0 HD2 ARG A 96 12.393 4.446 6.517 1.00 0.72 H new ATOM 0 HD3 ARG A 96 12.929 4.323 4.853 1.00 0.72 H new ATOM 0 HE ARG A 96 11.992 6.979 5.259 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.609 4.875 6.400 1.00 1.58 H new ATOM 0 HH12 ARG A 96 15.725 6.223 6.644 1.00 1.58 H new ATOM 0 HH21 ARG A 96 13.431 8.671 5.550 1.00 3.57 H new ATOM 0 HH22 ARG A 96 15.059 8.364 6.164 1.00 3.57 H new ATOM 1474 N LEU A 97 10.246 0.962 2.508 1.00 0.52 N ATOM 1475 CA LEU A 97 9.708 -0.304 2.054 1.00 0.57 C ATOM 1476 C LEU A 97 10.819 -1.211 1.533 1.00 0.64 C ATOM 1477 O LEU A 97 10.971 -2.352 1.972 1.00 0.96 O ATOM 1478 CB LEU A 97 8.691 -0.038 0.942 1.00 0.70 C ATOM 1479 CG LEU A 97 7.620 -1.101 0.770 1.00 0.88 C ATOM 1480 CD1 LEU A 97 6.490 -0.566 -0.092 1.00 1.45 C ATOM 1481 CD2 LEU A 97 8.190 -2.379 0.170 1.00 1.65 C ATOM 0 H LEU A 97 10.140 1.723 1.837 1.00 0.52 H new ATOM 0 HA LEU A 97 9.225 -0.807 2.892 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.203 0.916 1.140 1.00 0.70 H new ATOM 0 HB3 LEU A 97 9.228 0.068 -0.000 1.00 0.70 H new ATOM 0 HG LEU A 97 7.230 -1.349 1.757 1.00 0.88 H new ATOM 0 HD11 LEU A 97 5.727 -1.335 -0.210 1.00 1.45 H new ATOM 0 HD12 LEU A 97 6.052 0.310 0.386 1.00 1.45 H new ATOM 0 HD13 LEU A 97 6.880 -0.288 -1.071 1.00 1.45 H new ATOM 0 HD21 LEU A 97 7.395 -3.116 0.062 1.00 1.65 H new ATOM 0 HD22 LEU A 97 8.619 -2.162 -0.808 1.00 1.65 H new ATOM 0 HD23 LEU A 97 8.965 -2.775 0.826 1.00 1.65 H new ATOM 1493 N THR A 98 11.614 -0.679 0.619 1.00 0.54 N ATOM 1494 CA THR A 98 12.561 -1.488 -0.124 1.00 0.65 C ATOM 1495 C THR A 98 13.917 -1.456 0.523 1.00 0.74 C ATOM 1496 O THR A 98 14.751 -0.579 0.280 1.00 1.53 O ATOM 1497 CB THR A 98 12.665 -1.072 -1.604 1.00 0.92 C ATOM 1498 OG1 THR A 98 11.353 -0.835 -2.130 1.00 1.15 O ATOM 1499 CG2 THR A 98 13.357 -2.163 -2.421 1.00 1.12 C ATOM 0 H THR A 98 11.621 0.311 0.375 1.00 0.54 H new ATOM 0 HA THR A 98 12.180 -2.509 -0.103 1.00 0.65 H new ATOM 0 HB THR A 98 13.257 -0.159 -1.670 1.00 0.92 H new ATOM 0 HG1 THR A 98 11.005 0.009 -1.773 1.00 1.15 H new ATOM 0 HG21 THR A 98 13.421 -1.851 -3.464 1.00 1.12 H new ATOM 0 HG22 THR A 98 14.361 -2.329 -2.029 1.00 1.12 H new ATOM 0 HG23 THR A 98 12.783 -3.087 -2.353 1.00 1.12 H new ATOM 1507 N LYS A 99 14.093 -2.425 1.373 1.00 0.79 N ATOM 1508 CA LYS A 99 15.283 -2.579 2.145 1.00 1.12 C ATOM 1509 C LYS A 99 15.721 -4.030 2.118 1.00 1.36 C ATOM 1510 O LYS A 99 15.053 -4.902 2.679 1.00 2.28 O ATOM 1511 CB LYS A 99 14.975 -2.131 3.554 1.00 1.29 C ATOM 1512 CG LYS A 99 15.614 -0.821 3.942 1.00 1.18 C ATOM 1513 CD LYS A 99 15.123 -0.404 5.309 1.00 1.56 C ATOM 1514 CE LYS A 99 13.608 -0.401 5.331 1.00 1.98 C ATOM 1515 NZ LYS A 99 13.071 -0.576 6.702 1.00 2.72 N ATOM 0 H LYS A 99 13.393 -3.146 1.550 1.00 0.79 H new ATOM 0 HA LYS A 99 16.097 -1.979 1.739 1.00 1.12 H new ATOM 0 HB2 LYS A 99 13.894 -2.042 3.667 1.00 1.29 H new ATOM 0 HB3 LYS A 99 15.306 -2.903 4.249 1.00 1.29 H new ATOM 0 HG2 LYS A 99 16.699 -0.922 3.949 1.00 1.18 H new ATOM 0 HG3 LYS A 99 15.370 -0.054 3.207 1.00 1.18 H new ATOM 0 HD2 LYS A 99 15.506 -1.087 6.067 1.00 1.56 H new ATOM 0 HD3 LYS A 99 15.501 0.588 5.554 1.00 1.56 H new ATOM 0 HE2 LYS A 99 13.241 0.538 4.915 1.00 1.98 H new ATOM 0 HE3 LYS A 99 13.235 -1.200 4.691 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 12.168 -1.091 6.658 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 13.750 -1.116 7.275 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 12.917 0.356 7.136 1.00 2.72 H new ATOM 1529 N ARG A 100 16.829 -4.282 1.445 1.00 1.04 N ATOM 1530 CA ARG A 100 17.379 -5.631 1.317 1.00 1.17 C ATOM 1531 C ARG A 100 17.889 -6.177 2.659 1.00 1.12 C ATOM 1532 O ARG A 100 18.443 -7.275 2.722 1.00 1.39 O ATOM 1533 CB ARG A 100 18.507 -5.638 0.279 1.00 1.55 C ATOM 1534 CG ARG A 100 19.631 -4.657 0.578 1.00 2.10 C ATOM 1535 CD ARG A 100 20.705 -4.697 -0.497 1.00 2.50 C ATOM 1536 NE ARG A 100 21.721 -3.663 -0.303 1.00 3.10 N ATOM 1537 CZ ARG A 100 22.746 -3.454 -1.133 1.00 3.59 C ATOM 1538 NH1 ARG A 100 22.902 -4.212 -2.212 1.00 3.60 N ATOM 1539 NH2 ARG A 100 23.614 -2.482 -0.882 1.00 4.38 N ATOM 0 H ARG A 100 17.376 -3.564 0.971 1.00 1.04 H new ATOM 0 HA ARG A 100 16.573 -6.286 0.986 1.00 1.17 H new ATOM 0 HB2 ARG A 100 18.923 -6.643 0.217 1.00 1.55 H new ATOM 0 HB3 ARG A 100 18.087 -5.406 -0.700 1.00 1.55 H new ATOM 0 HG2 ARG A 100 19.225 -3.648 0.651 1.00 2.10 H new ATOM 0 HG3 ARG A 100 20.074 -4.893 1.546 1.00 2.10 H new ATOM 0 HD2 ARG A 100 21.182 -5.677 -0.495 1.00 2.50 H new ATOM 0 HD3 ARG A 100 20.242 -4.570 -1.475 1.00 2.50 H new ATOM 0 HE ARG A 100 21.642 -3.063 0.518 1.00 3.10 H new ATOM 0 HH11 ARG A 100 22.237 -4.959 -2.411 1.00 3.60 H new ATOM 0 HH12 ARG A 100 23.687 -4.047 -2.842 1.00 3.60 H new ATOM 0 HH21 ARG A 100 23.498 -1.895 -0.056 1.00 4.38 H new ATOM 0 HH22 ARG A 100 24.397 -2.322 -1.515 1.00 4.38 H new ATOM 1553 N SER A 101 17.666 -5.424 3.727 1.00 1.05 N ATOM 1554 CA SER A 101 18.195 -5.770 5.039 1.00 1.37 C ATOM 1555 C SER A 101 17.091 -6.260 5.982 1.00 1.22 C ATOM 1556 O SER A 101 17.360 -6.982 6.940 1.00 1.64 O ATOM 1557 CB SER A 101 18.912 -4.555 5.627 1.00 1.90 C ATOM 1558 OG SER A 101 18.201 -3.359 5.332 1.00 2.51 O ATOM 0 H SER A 101 17.118 -4.564 3.710 1.00 1.05 H new ATOM 0 HA SER A 101 18.903 -6.591 4.925 1.00 1.37 H new ATOM 0 HB2 SER A 101 19.007 -4.670 6.707 1.00 1.90 H new ATOM 0 HB3 SER A 101 19.922 -4.492 5.223 1.00 1.90 H new ATOM 0 HG SER A 101 18.675 -2.593 5.718 1.00 2.51 H new ATOM 1564 N GLU A 102 15.851 -5.870 5.703 1.00 1.06 N ATOM 1565 CA GLU A 102 14.713 -6.311 6.502 1.00 1.19 C ATOM 1566 C GLU A 102 14.478 -7.806 6.304 1.00 0.93 C ATOM 1567 O GLU A 102 14.814 -8.351 5.253 1.00 1.34 O ATOM 1568 CB GLU A 102 13.452 -5.541 6.104 1.00 1.63 C ATOM 1569 CG GLU A 102 13.544 -4.038 6.325 1.00 2.12 C ATOM 1570 CD GLU A 102 13.657 -3.658 7.786 1.00 2.70 C ATOM 1571 OE1 GLU A 102 13.235 -4.460 8.644 1.00 3.40 O ATOM 1572 OE2 GLU A 102 14.188 -2.569 8.085 1.00 2.95 O ATOM 0 H GLU A 102 15.609 -5.250 4.930 1.00 1.06 H new ATOM 0 HA GLU A 102 14.935 -6.116 7.551 1.00 1.19 H new ATOM 0 HB2 GLU A 102 13.241 -5.730 5.051 1.00 1.63 H new ATOM 0 HB3 GLU A 102 12.607 -5.930 6.673 1.00 1.63 H new ATOM 0 HG2 GLU A 102 14.409 -3.650 5.787 1.00 2.12 H new ATOM 0 HG3 GLU A 102 12.662 -3.560 5.898 1.00 2.12 H new ATOM 1579 N GLU A 103 13.924 -8.472 7.311 1.00 0.74 N ATOM 1580 CA GLU A 103 13.578 -9.886 7.184 1.00 0.68 C ATOM 1581 C GLU A 103 12.098 -10.041 6.846 1.00 0.54 C ATOM 1582 O GLU A 103 11.667 -11.064 6.318 1.00 0.61 O ATOM 1583 CB GLU A 103 13.917 -10.663 8.464 1.00 0.95 C ATOM 1584 CG GLU A 103 13.201 -10.168 9.712 1.00 1.37 C ATOM 1585 CD GLU A 103 13.440 -11.073 10.907 1.00 2.16 C ATOM 1586 OE1 GLU A 103 14.592 -11.143 11.386 1.00 2.58 O ATOM 1587 OE2 GLU A 103 12.470 -11.697 11.386 1.00 2.68 O ATOM 0 H GLU A 103 13.705 -8.061 8.219 1.00 0.74 H new ATOM 0 HA GLU A 103 14.173 -10.304 6.372 1.00 0.68 H new ATOM 0 HB2 GLU A 103 13.670 -11.714 8.312 1.00 0.95 H new ATOM 0 HB3 GLU A 103 14.993 -10.609 8.632 1.00 0.95 H new ATOM 0 HG2 GLU A 103 13.541 -9.160 9.948 1.00 1.37 H new ATOM 0 HG3 GLU A 103 12.131 -10.105 9.514 1.00 1.37 H new ATOM 1594 N VAL A 104 11.333 -9.006 7.132 1.00 0.40 N ATOM 1595 CA VAL A 104 9.906 -9.019 6.890 1.00 0.33 C ATOM 1596 C VAL A 104 9.435 -7.612 6.552 1.00 0.29 C ATOM 1597 O VAL A 104 9.971 -6.631 7.066 1.00 0.34 O ATOM 1598 CB VAL A 104 9.134 -9.572 8.111 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.441 -8.769 9.362 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.639 -9.599 7.844 1.00 0.37 C ATOM 0 H VAL A 104 11.682 -8.137 7.537 1.00 0.40 H new ATOM 0 HA VAL A 104 9.703 -9.680 6.047 1.00 0.33 H new ATOM 0 HB VAL A 104 9.468 -10.596 8.277 1.00 0.38 H new ATOM 0 HG11 VAL A 104 8.884 -9.180 10.204 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.509 -8.819 9.574 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.150 -7.730 9.208 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.120 -9.992 8.718 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.288 -8.588 7.638 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.434 -10.237 6.984 1.00 0.37 H new ATOM 1610 N VAL A 105 8.459 -7.509 5.676 1.00 0.28 N ATOM 1611 CA VAL A 105 7.990 -6.225 5.217 1.00 0.28 C ATOM 1612 C VAL A 105 6.577 -5.953 5.669 1.00 0.26 C ATOM 1613 O VAL A 105 5.636 -6.679 5.347 1.00 0.26 O ATOM 1614 CB VAL A 105 8.076 -6.094 3.701 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.399 -4.820 3.255 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.524 -6.110 3.283 1.00 0.46 C ATOM 0 H VAL A 105 7.974 -8.307 5.266 1.00 0.28 H new ATOM 0 HA VAL A 105 8.650 -5.483 5.665 1.00 0.28 H new ATOM 0 HB VAL A 105 7.565 -6.932 3.228 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.465 -4.734 2.170 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.351 -4.841 3.555 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.892 -3.965 3.718 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.591 -6.017 2.199 1.00 0.46 H new ATOM 0 HG22 VAL A 105 10.047 -5.277 3.752 1.00 0.46 H new ATOM 0 HG23 VAL A 105 9.982 -7.048 3.595 1.00 0.46 H new ATOM 1626 N ARG A 106 6.467 -4.903 6.445 1.00 0.29 N ATOM 1627 CA ARG A 106 5.228 -4.503 7.056 1.00 0.28 C ATOM 1628 C ARG A 106 4.588 -3.386 6.262 1.00 0.26 C ATOM 1629 O ARG A 106 5.259 -2.434 5.870 1.00 0.32 O ATOM 1630 CB ARG A 106 5.508 -4.050 8.478 1.00 0.35 C ATOM 1631 CG ARG A 106 6.300 -5.063 9.284 1.00 0.43 C ATOM 1632 CD ARG A 106 7.790 -5.032 8.936 1.00 0.54 C ATOM 1633 NE ARG A 106 8.614 -4.706 10.101 1.00 0.81 N ATOM 1634 CZ ARG A 106 9.934 -4.504 10.067 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.614 -4.705 8.945 1.00 1.76 N ATOM 1636 NH2 ARG A 106 10.574 -4.137 11.171 1.00 1.46 N ATOM 0 H ARG A 106 7.252 -4.293 6.672 1.00 0.29 H new ATOM 0 HA ARG A 106 4.537 -5.345 7.071 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.056 -3.108 8.451 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.562 -3.854 8.983 1.00 0.35 H new ATOM 0 HG2 ARG A 106 6.172 -4.861 10.347 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.905 -6.062 9.100 1.00 0.43 H new ATOM 0 HD2 ARG A 106 8.090 -6.001 8.538 1.00 0.54 H new ATOM 0 HD3 ARG A 106 7.964 -4.297 8.150 1.00 0.54 H new ATOM 0 HE ARG A 106 8.146 -4.627 11.004 1.00 0.81 H new ATOM 0 HH11 ARG A 106 10.129 -5.015 8.103 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.622 -4.549 8.925 1.00 1.76 H new ATOM 0 HH21 ARG A 106 10.058 -4.010 12.042 1.00 1.46 H new ATOM 0 HH22 ARG A 106 11.582 -3.982 11.149 1.00 1.46 H new ATOM 1650 N LEU A 107 3.305 -3.504 6.029 1.00 0.24 N ATOM 1651 CA LEU A 107 2.565 -2.502 5.281 1.00 0.24 C ATOM 1652 C LEU A 107 1.274 -2.143 6.000 1.00 0.21 C ATOM 1653 O LEU A 107 0.527 -3.024 6.426 1.00 0.28 O ATOM 1654 CB LEU A 107 2.246 -3.021 3.877 1.00 0.37 C ATOM 1655 CG LEU A 107 1.512 -2.040 2.963 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.430 -0.901 2.552 1.00 0.98 C ATOM 1657 CD2 LEU A 107 0.968 -2.761 1.740 1.00 1.12 C ATOM 0 H LEU A 107 2.740 -4.291 6.348 1.00 0.24 H new ATOM 0 HA LEU A 107 3.183 -1.608 5.202 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.180 -3.310 3.395 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.643 -3.924 3.971 1.00 0.37 H new ATOM 0 HG LEU A 107 0.672 -1.617 3.514 1.00 0.57 H new ATOM 0 HD11 LEU A 107 1.889 -0.214 1.902 1.00 0.98 H new ATOM 0 HD12 LEU A 107 2.769 -0.368 3.440 1.00 0.98 H new ATOM 0 HD13 LEU A 107 3.292 -1.302 2.019 1.00 0.98 H new ATOM 0 HD21 LEU A 107 0.448 -2.049 1.099 1.00 1.12 H new ATOM 0 HD22 LEU A 107 1.792 -3.212 1.187 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.273 -3.539 2.056 1.00 1.12 H new ATOM 1669 N LEU A 108 1.012 -0.856 6.134 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.247 -0.394 6.634 1.00 0.15 C ATOM 1671 C LEU A 108 -0.899 0.355 5.503 1.00 0.15 C ATOM 1672 O LEU A 108 -0.383 1.366 5.051 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.041 0.509 7.846 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.295 1.180 8.391 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.344 0.131 8.729 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -0.947 2.004 9.623 1.00 0.26 C ATOM 0 H LEU A 108 1.670 -0.113 5.898 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.875 -1.222 6.965 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.409 -0.082 8.644 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.677 1.284 7.580 1.00 0.19 H new ATOM 0 HG LEU A 108 -1.704 1.845 7.630 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.237 0.621 9.118 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.600 -0.430 7.830 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.948 -0.551 9.481 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -1.848 2.481 10.008 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.526 1.353 10.389 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.218 2.768 9.355 1.00 0.26 H new ATOM 1688 N VAL A 109 -1.987 -0.160 5.008 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.578 0.376 3.813 1.00 0.21 C ATOM 1690 C VAL A 109 -4.030 0.689 4.053 1.00 0.22 C ATOM 1691 O VAL A 109 -4.672 0.068 4.877 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.429 -0.629 2.651 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -3.725 -1.347 2.342 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -1.863 0.039 1.417 1.00 0.77 C ATOM 0 H VAL A 109 -2.485 -0.952 5.413 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.062 1.298 3.544 1.00 0.21 H new ATOM 0 HB VAL A 109 -1.719 -1.388 2.979 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -3.568 -2.043 1.518 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -4.055 -1.897 3.223 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.487 -0.619 2.062 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -1.770 -0.695 0.616 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -2.530 0.841 1.099 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -0.881 0.453 1.645 1.00 0.77 H new ATOM 1704 N THR A 110 -4.525 1.666 3.356 1.00 0.22 N ATOM 1705 CA THR A 110 -5.946 1.925 3.370 1.00 0.25 C ATOM 1706 C THR A 110 -6.629 1.265 2.187 1.00 0.26 C ATOM 1707 O THR A 110 -6.316 1.553 1.031 1.00 0.30 O ATOM 1708 CB THR A 110 -6.264 3.406 3.341 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.189 4.157 3.908 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.526 3.659 4.125 1.00 0.33 C ATOM 0 H THR A 110 -3.977 2.297 2.772 1.00 0.22 H new ATOM 0 HA THR A 110 -6.320 1.505 4.304 1.00 0.25 H new ATOM 0 HB THR A 110 -6.402 3.720 2.306 1.00 0.30 H new ATOM 0 HG1 THR A 110 -4.465 4.238 3.252 1.00 0.34 H new ATOM 0 HG21 THR A 110 -7.758 4.724 4.107 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.349 3.100 3.680 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.384 3.336 5.156 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.577 0.399 2.504 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.219 -0.453 1.528 1.00 0.37 C ATOM 1720 C ARG A 111 -9.670 -0.036 1.309 1.00 0.42 C ATOM 1721 O ARG A 111 -10.381 0.320 2.251 1.00 0.49 O ATOM 1722 CB ARG A 111 -8.114 -1.907 2.012 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.398 -2.717 1.935 1.00 0.47 C ATOM 1724 CD ARG A 111 -9.189 -4.124 2.470 1.00 0.58 C ATOM 1725 NE ARG A 111 -10.428 -4.904 2.500 1.00 1.06 N ATOM 1726 CZ ARG A 111 -10.487 -6.198 2.818 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -9.374 -6.874 3.087 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -11.663 -6.812 2.854 1.00 2.01 N ATOM 0 H ARG A 111 -7.923 0.270 3.455 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.719 -0.357 0.564 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -7.350 -2.413 1.423 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -7.769 -1.903 3.046 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -10.181 -2.219 2.507 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -9.740 -2.765 0.901 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.455 -4.639 1.851 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -8.774 -4.068 3.477 1.00 0.58 H new ATOM 0 HE ARG A 111 -11.299 -4.429 2.263 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -8.470 -6.403 3.051 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -9.424 -7.863 3.330 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -12.515 -6.294 2.639 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -11.715 -7.801 3.096 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.097 -0.066 0.058 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.459 0.304 -0.289 1.00 0.71 C ATOM 1744 C GLN A 112 -12.177 -0.828 -1.014 1.00 0.89 C ATOM 1745 O GLN A 112 -12.503 -1.846 -0.405 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.500 1.606 -1.102 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.288 1.831 -1.986 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.070 2.304 -1.206 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -7.895 1.886 -1.636 1.00 1.97 O flip ATOM 1750 NE2 GLN A 112 -9.190 3.018 -0.212 1.00 0.66 N flip ATOM 0 H GLN A 112 -9.519 -0.343 -0.736 1.00 0.56 H new ATOM 0 HA GLN A 112 -11.993 0.486 0.643 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.394 1.603 -1.726 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -11.594 2.447 -0.415 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -10.044 0.903 -2.504 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -10.533 2.568 -2.751 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -10.116 3.321 0.089 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -8.363 3.307 0.311 1.00 0.66 H new ATOM 1759 N SER A 113 -12.384 -0.679 -2.310 1.00 0.79 N ATOM 1760 CA SER A 113 -13.178 -1.635 -3.064 1.00 0.96 C ATOM 1761 C SER A 113 -12.458 -2.042 -4.332 1.00 0.89 C ATOM 1762 O SER A 113 -12.709 -1.515 -5.413 1.00 1.18 O ATOM 1763 CB SER A 113 -14.530 -1.028 -3.404 1.00 1.25 C ATOM 1764 OG SER A 113 -15.422 -1.998 -3.929 1.00 1.62 O ATOM 0 H SER A 113 -12.014 0.094 -2.863 1.00 0.79 H new ATOM 0 HA SER A 113 -13.328 -2.524 -2.452 1.00 0.96 H new ATOM 0 HB2 SER A 113 -14.964 -0.581 -2.510 1.00 1.25 H new ATOM 0 HB3 SER A 113 -14.397 -0.225 -4.129 1.00 1.25 H new ATOM 0 HG SER A 113 -16.281 -1.575 -4.135 1.00 1.62 H new ATOM 1770 N LEU A 114 -11.540 -2.962 -4.173 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.711 -3.425 -5.277 1.00 0.94 C ATOM 1772 C LEU A 114 -10.650 -4.939 -5.264 1.00 1.13 C ATOM 1773 O LEU A 114 -10.169 -5.570 -6.206 1.00 1.65 O ATOM 1774 CB LEU A 114 -9.304 -2.865 -5.127 1.00 0.90 C ATOM 1775 CG LEU A 114 -9.226 -1.481 -4.491 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -7.809 -1.194 -4.069 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -9.735 -0.412 -5.442 1.00 1.23 C ATOM 0 H LEU A 114 -11.340 -3.415 -3.281 1.00 0.90 H new ATOM 0 HA LEU A 114 -11.141 -3.084 -6.219 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.715 -3.558 -4.526 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -8.839 -2.823 -6.112 1.00 0.90 H new ATOM 0 HG LEU A 114 -9.867 -1.466 -3.609 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -7.758 -0.204 -3.615 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -7.486 -1.942 -3.345 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -7.156 -1.227 -4.941 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -9.668 0.564 -4.962 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -9.130 -0.413 -6.348 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -10.774 -0.619 -5.699 1.00 1.23 H new