USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 632 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 Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0249 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.738 K(o=-0.74,f=-4.2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -56:sc= 0.795 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 143:sc= -0.358 (180deg=-2.44!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 157:sc= 0 (180deg=-0.746) USER MOD Single : A 90 MET CE :methyl -170:sc= 0 (180deg=-0.0778) USER MOD ----------------------------------------------------------------- ATOM 95 N GLY A 7 -22.669 -7.323 -21.628 1.00 0.00 N ATOM 96 CA GLY A 7 -23.051 -6.025 -21.097 1.00 0.00 C ATOM 97 C GLY A 7 -23.710 -6.168 -19.723 1.00 0.00 C ATOM 98 O GLY A 7 -23.253 -5.575 -18.747 1.00 0.00 O ATOM 0 HA2 GLY A 7 -22.171 -5.387 -21.018 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.739 -5.535 -21.785 1.00 0.00 H new ATOM 102 N TYR A 8 -24.774 -6.958 -19.692 1.00 0.00 N ATOM 103 CA TYR A 8 -25.500 -7.185 -18.454 1.00 0.00 C ATOM 104 C TYR A 8 -24.543 -7.535 -17.313 1.00 0.00 C ATOM 105 O TYR A 8 -24.621 -6.953 -16.232 1.00 0.00 O ATOM 106 CB TYR A 8 -26.418 -8.381 -18.718 1.00 0.00 C ATOM 107 CG TYR A 8 -27.695 -8.382 -17.875 1.00 0.00 C ATOM 108 CD1 TYR A 8 -28.834 -7.762 -18.347 1.00 0.00 C ATOM 109 CD2 TYR A 8 -27.708 -9.004 -16.643 1.00 0.00 C ATOM 110 CE1 TYR A 8 -30.036 -7.764 -17.554 1.00 0.00 C ATOM 111 CE2 TYR A 8 -28.910 -9.005 -15.850 1.00 0.00 C ATOM 112 CZ TYR A 8 -30.014 -8.385 -16.344 1.00 0.00 C ATOM 113 OH TYR A 8 -31.149 -8.387 -15.595 1.00 0.00 O ATOM 0 H TYR A 8 -25.150 -7.448 -20.504 1.00 0.00 H new ATOM 0 HA TYR A 8 -26.050 -6.291 -18.162 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -26.691 -8.391 -19.773 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -25.865 -9.300 -18.523 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -28.824 -7.275 -19.311 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -26.817 -9.490 -16.274 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -30.935 -7.283 -17.912 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -28.934 -9.488 -14.884 1.00 0.00 H new ATOM 0 HH TYR A 8 -30.987 -8.868 -14.757 1.00 0.00 H new ATOM 123 N ALA A 9 -23.661 -8.484 -17.592 1.00 0.00 N ATOM 124 CA ALA A 9 -22.690 -8.918 -16.602 1.00 0.00 C ATOM 125 C ALA A 9 -21.875 -7.712 -16.131 1.00 0.00 C ATOM 126 O ALA A 9 -21.520 -7.619 -14.957 1.00 0.00 O ATOM 127 CB ALA A 9 -21.811 -10.019 -17.199 1.00 0.00 C ATOM 0 H ALA A 9 -23.599 -8.964 -18.490 1.00 0.00 H new ATOM 0 HA ALA A 9 -23.191 -9.338 -15.730 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.082 -10.345 -16.457 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -22.434 -10.864 -17.491 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -21.289 -9.633 -18.075 1.00 0.00 H new ATOM 133 N ALA A 10 -21.602 -6.819 -17.071 1.00 0.00 N ATOM 134 CA ALA A 10 -20.835 -5.623 -16.766 1.00 0.00 C ATOM 135 C ALA A 10 -21.679 -4.690 -15.896 1.00 0.00 C ATOM 136 O ALA A 10 -21.141 -3.933 -15.089 1.00 0.00 O ATOM 137 CB ALA A 10 -20.387 -4.958 -18.069 1.00 0.00 C ATOM 0 H ALA A 10 -21.898 -6.900 -18.044 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.936 -5.876 -16.203 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.812 -4.061 -17.841 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.767 -5.652 -18.637 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -21.263 -4.687 -18.659 1.00 0.00 H new ATOM 143 N LEU A 11 -22.987 -4.774 -16.088 1.00 0.00 N ATOM 144 CA LEU A 11 -23.910 -3.947 -15.330 1.00 0.00 C ATOM 145 C LEU A 11 -23.891 -4.381 -13.864 1.00 0.00 C ATOM 146 O LEU A 11 -23.511 -3.606 -12.987 1.00 0.00 O ATOM 147 CB LEU A 11 -25.302 -3.979 -15.964 1.00 0.00 C ATOM 148 CG LEU A 11 -26.131 -2.700 -15.828 1.00 0.00 C ATOM 149 CD1 LEU A 11 -25.486 -1.545 -16.596 1.00 0.00 C ATOM 150 CD2 LEU A 11 -27.580 -2.937 -16.258 1.00 0.00 C ATOM 0 H LEU A 11 -23.430 -5.403 -16.758 1.00 0.00 H new ATOM 0 HA LEU A 11 -23.597 -2.903 -15.357 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -25.191 -4.205 -17.024 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -25.863 -4.801 -15.519 1.00 0.00 H new ATOM 0 HG LEU A 11 -26.151 -2.416 -14.776 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -26.095 -0.648 -16.483 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -24.488 -1.358 -16.201 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -25.415 -1.805 -17.652 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -28.147 -2.012 -16.151 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -27.603 -3.259 -17.299 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -28.024 -3.709 -15.630 1.00 0.00 H new ATOM 162 N VAL A 12 -24.306 -5.620 -13.641 1.00 0.00 N ATOM 163 CA VAL A 12 -24.342 -6.167 -12.296 1.00 0.00 C ATOM 164 C VAL A 12 -22.989 -5.937 -11.620 1.00 0.00 C ATOM 165 O VAL A 12 -22.929 -5.466 -10.485 1.00 0.00 O ATOM 166 CB VAL A 12 -24.745 -7.642 -12.341 1.00 0.00 C ATOM 167 CG1 VAL A 12 -24.551 -8.306 -10.976 1.00 0.00 C ATOM 168 CG2 VAL A 12 -26.186 -7.802 -12.829 1.00 0.00 C ATOM 0 H VAL A 12 -24.620 -6.260 -14.370 1.00 0.00 H new ATOM 0 HA VAL A 12 -25.096 -5.657 -11.696 1.00 0.00 H new ATOM 0 HB VAL A 12 -24.092 -8.146 -13.054 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -24.845 -9.354 -11.036 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -23.503 -8.239 -10.685 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -25.167 -7.798 -10.234 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -26.447 -8.860 -12.852 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -26.860 -7.276 -12.152 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -26.279 -7.384 -13.831 1.00 0.00 H new ATOM 178 N THR A 13 -21.935 -6.280 -12.346 1.00 0.00 N ATOM 179 CA THR A 13 -20.586 -6.117 -11.831 1.00 0.00 C ATOM 180 C THR A 13 -20.381 -4.691 -11.316 1.00 0.00 C ATOM 181 O THR A 13 -20.200 -4.480 -10.118 1.00 0.00 O ATOM 182 CB THR A 13 -19.606 -6.510 -12.939 1.00 0.00 C ATOM 183 OG1 THR A 13 -19.745 -7.925 -13.038 1.00 0.00 O ATOM 184 CG2 THR A 13 -18.147 -6.307 -12.528 1.00 0.00 C ATOM 0 H THR A 13 -21.988 -6.670 -13.287 1.00 0.00 H new ATOM 0 HA THR A 13 -20.408 -6.767 -10.974 1.00 0.00 H new ATOM 0 HB THR A 13 -19.816 -5.925 -13.834 1.00 0.00 H new ATOM 0 HG1 THR A 13 -20.555 -8.139 -13.547 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.493 -6.601 -13.349 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.979 -5.257 -12.288 1.00 0.00 H new ATOM 0 HG23 THR A 13 -17.927 -6.919 -11.653 1.00 0.00 H new ATOM 192 N PHE A 14 -20.415 -3.749 -12.247 1.00 0.00 N ATOM 193 CA PHE A 14 -20.234 -2.349 -11.902 1.00 0.00 C ATOM 194 C PHE A 14 -21.113 -1.960 -10.712 1.00 0.00 C ATOM 195 O PHE A 14 -20.688 -1.200 -9.844 1.00 0.00 O ATOM 196 CB PHE A 14 -20.658 -1.530 -13.123 1.00 0.00 C ATOM 197 CG PHE A 14 -19.487 -0.941 -13.913 1.00 0.00 C ATOM 198 CD1 PHE A 14 -18.614 -0.094 -13.306 1.00 0.00 C ATOM 199 CD2 PHE A 14 -19.320 -1.265 -15.224 1.00 0.00 C ATOM 200 CE1 PHE A 14 -17.528 0.452 -14.039 1.00 0.00 C ATOM 201 CE2 PHE A 14 -18.234 -0.718 -15.957 1.00 0.00 C ATOM 202 CZ PHE A 14 -17.361 0.129 -15.350 1.00 0.00 C ATOM 0 H PHE A 14 -20.565 -3.928 -13.240 1.00 0.00 H new ATOM 0 HA PHE A 14 -19.195 -2.164 -11.628 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -21.248 -2.163 -13.785 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -21.307 -0.718 -12.796 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -18.747 0.164 -12.266 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.013 -1.938 -15.707 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -16.834 1.124 -13.556 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -18.101 -0.975 -16.998 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.535 0.545 -15.908 1.00 0.00 H new ATOM 212 N GLY A 15 -22.324 -2.499 -10.710 1.00 0.00 N ATOM 213 CA GLY A 15 -23.266 -2.218 -9.641 1.00 0.00 C ATOM 214 C GLY A 15 -22.676 -2.587 -8.278 1.00 0.00 C ATOM 215 O GLY A 15 -22.318 -1.709 -7.494 1.00 0.00 O ATOM 0 H GLY A 15 -22.674 -3.129 -11.432 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -23.530 -1.160 -9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -24.187 -2.778 -9.806 1.00 0.00 H new ATOM 219 N SER A 16 -22.592 -3.887 -8.038 1.00 0.00 N ATOM 220 CA SER A 16 -22.051 -4.383 -6.784 1.00 0.00 C ATOM 221 C SER A 16 -20.827 -3.559 -6.380 1.00 0.00 C ATOM 222 O SER A 16 -20.740 -3.083 -5.249 1.00 0.00 O ATOM 223 CB SER A 16 -21.683 -5.864 -6.890 1.00 0.00 C ATOM 224 OG SER A 16 -22.697 -6.621 -7.545 1.00 0.00 O ATOM 0 H SER A 16 -22.890 -4.612 -8.691 1.00 0.00 H new ATOM 0 HA SER A 16 -22.818 -4.282 -6.017 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.745 -5.966 -7.436 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.517 -6.268 -5.892 1.00 0.00 H new ATOM 0 HG SER A 16 -22.423 -7.561 -7.594 1.00 0.00 H new ATOM 230 N ILE A 17 -19.911 -3.416 -7.326 1.00 0.00 N ATOM 231 CA ILE A 17 -18.696 -2.658 -7.083 1.00 0.00 C ATOM 232 C ILE A 17 -19.056 -1.317 -6.441 1.00 0.00 C ATOM 233 O ILE A 17 -18.499 -0.950 -5.407 1.00 0.00 O ATOM 234 CB ILE A 17 -17.881 -2.524 -8.371 1.00 0.00 C ATOM 235 CG1 ILE A 17 -17.347 -3.883 -8.827 1.00 0.00 C ATOM 236 CG2 ILE A 17 -16.762 -1.494 -8.207 1.00 0.00 C ATOM 237 CD1 ILE A 17 -16.509 -3.745 -10.099 1.00 0.00 C ATOM 0 H ILE A 17 -19.986 -3.813 -8.263 1.00 0.00 H new ATOM 0 HA ILE A 17 -18.052 -3.186 -6.379 1.00 0.00 H new ATOM 0 HB ILE A 17 -18.542 -2.159 -9.157 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -16.742 -4.324 -8.035 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -18.180 -4.563 -9.008 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.198 -1.418 -9.137 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.194 -0.523 -7.964 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.095 -1.806 -7.403 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -16.142 -4.726 -10.401 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -17.124 -3.326 -10.896 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.663 -3.084 -9.908 1.00 0.00 H new ATOM 249 N PHE A 18 -19.986 -0.622 -7.079 1.00 0.00 N ATOM 250 CA PHE A 18 -20.427 0.670 -6.583 1.00 0.00 C ATOM 251 C PHE A 18 -21.006 0.547 -5.172 1.00 0.00 C ATOM 252 O PHE A 18 -20.881 1.465 -4.363 1.00 0.00 O ATOM 253 CB PHE A 18 -21.524 1.162 -7.530 1.00 0.00 C ATOM 254 CG PHE A 18 -21.870 2.643 -7.365 1.00 0.00 C ATOM 255 CD1 PHE A 18 -20.898 3.587 -7.491 1.00 0.00 C ATOM 256 CD2 PHE A 18 -23.149 3.017 -7.092 1.00 0.00 C ATOM 257 CE1 PHE A 18 -21.219 4.961 -7.338 1.00 0.00 C ATOM 258 CE2 PHE A 18 -23.470 4.392 -6.939 1.00 0.00 C ATOM 259 CZ PHE A 18 -22.498 5.335 -7.065 1.00 0.00 C ATOM 0 H PHE A 18 -20.446 -0.930 -7.936 1.00 0.00 H new ATOM 0 HA PHE A 18 -19.584 1.360 -6.542 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -21.208 0.986 -8.558 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -22.424 0.569 -7.367 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -19.882 3.291 -7.707 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -23.921 2.268 -6.992 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.447 5.710 -7.438 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -24.486 4.689 -6.723 1.00 0.00 H new ATOM 0 HZ PHE A 18 -22.742 6.381 -6.948 1.00 0.00 H new ATOM 269 N GLY A 19 -21.628 -0.595 -4.919 1.00 0.00 N ATOM 270 CA GLY A 19 -22.226 -0.851 -3.620 1.00 0.00 C ATOM 271 C GLY A 19 -21.158 -1.217 -2.587 1.00 0.00 C ATOM 272 O GLY A 19 -21.392 -1.113 -1.384 1.00 0.00 O ATOM 0 H GLY A 19 -21.731 -1.354 -5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.772 0.032 -3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.950 -1.661 -3.702 1.00 0.00 H new ATOM 276 N TYR A 20 -20.009 -1.637 -3.094 1.00 0.00 N ATOM 277 CA TYR A 20 -18.905 -2.019 -2.231 1.00 0.00 C ATOM 278 C TYR A 20 -17.704 -2.491 -3.053 1.00 0.00 C ATOM 279 O TYR A 20 -16.718 -1.768 -3.191 1.00 0.00 O ATOM 280 CB TYR A 20 -19.416 -3.185 -1.382 1.00 0.00 C ATOM 281 CG TYR A 20 -18.317 -3.937 -0.630 1.00 0.00 C ATOM 282 CD1 TYR A 20 -17.521 -3.269 0.278 1.00 0.00 C ATOM 283 CD2 TYR A 20 -18.121 -5.284 -0.860 1.00 0.00 C ATOM 284 CE1 TYR A 20 -16.485 -3.977 0.986 1.00 0.00 C ATOM 285 CE2 TYR A 20 -17.086 -5.992 -0.152 1.00 0.00 C ATOM 286 CZ TYR A 20 -16.319 -5.303 0.736 1.00 0.00 C ATOM 287 OH TYR A 20 -15.342 -5.972 1.404 1.00 0.00 O ATOM 0 H TYR A 20 -19.818 -1.721 -4.092 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.581 -1.172 -1.626 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -20.141 -2.806 -0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -19.945 -3.886 -2.027 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.675 -2.215 0.458 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -18.744 -5.807 -1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.855 -3.466 1.699 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -16.922 -7.046 -0.322 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.340 -6.912 1.126 1.00 0.00 H new ATOM 297 N LYS A 21 -17.825 -3.702 -3.577 1.00 0.00 N ATOM 298 CA LYS A 21 -16.762 -4.279 -4.382 1.00 0.00 C ATOM 299 C LYS A 21 -17.275 -5.550 -5.062 1.00 0.00 C ATOM 300 O LYS A 21 -17.593 -5.537 -6.250 1.00 0.00 O ATOM 301 CB LYS A 21 -15.507 -4.499 -3.534 1.00 0.00 C ATOM 302 CG LYS A 21 -14.310 -3.748 -4.121 1.00 0.00 C ATOM 303 CD LYS A 21 -13.112 -3.798 -3.171 1.00 0.00 C ATOM 304 CE LYS A 21 -12.064 -4.799 -3.663 1.00 0.00 C ATOM 305 NZ LYS A 21 -11.078 -4.129 -4.540 1.00 0.00 N ATOM 0 H LYS A 21 -18.643 -4.300 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.467 -3.590 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.689 -4.160 -2.514 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.282 -5.564 -3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.036 -4.186 -5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.585 -2.710 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.665 -2.807 -3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.447 -4.078 -2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.555 -5.249 -2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.552 -5.608 -4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.374 -4.823 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.566 -3.720 -5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.600 -3.373 -4.010 1.00 0.00 H new ATOM 319 N ARG A 22 -17.339 -6.617 -4.279 1.00 0.00 N ATOM 320 CA ARG A 22 -17.808 -7.893 -4.790 1.00 0.00 C ATOM 321 C ARG A 22 -17.580 -8.996 -3.755 1.00 0.00 C ATOM 322 O ARG A 22 -18.531 -9.617 -3.283 1.00 0.00 O ATOM 323 CB ARG A 22 -17.089 -8.265 -6.088 1.00 0.00 C ATOM 324 CG ARG A 22 -18.091 -8.611 -7.191 1.00 0.00 C ATOM 325 CD ARG A 22 -18.065 -10.108 -7.505 1.00 0.00 C ATOM 326 NE ARG A 22 -17.363 -10.345 -8.786 1.00 0.00 N ATOM 327 CZ ARG A 22 -16.987 -11.553 -9.225 1.00 0.00 C ATOM 328 NH1 ARG A 22 -17.243 -12.643 -8.489 1.00 0.00 N ATOM 329 NH2 ARG A 22 -16.354 -11.673 -10.401 1.00 0.00 N ATOM 0 H ARG A 22 -17.074 -6.624 -3.294 1.00 0.00 H new ATOM 0 HA ARG A 22 -18.874 -7.796 -4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.460 -7.435 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.429 -9.115 -5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -19.094 -8.318 -6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.857 -8.043 -8.091 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.564 -10.648 -6.701 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -19.083 -10.494 -7.562 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.152 -9.537 -9.372 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.724 -12.553 -7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.957 -13.563 -8.823 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.159 -10.844 -10.962 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.068 -12.593 -10.735 1.00 0.00 H new ATOM 343 N ARG A 23 -16.312 -9.207 -3.432 1.00 0.00 N ATOM 344 CA ARG A 23 -15.947 -10.225 -2.461 1.00 0.00 C ATOM 345 C ARG A 23 -14.428 -10.259 -2.275 1.00 0.00 C ATOM 346 O ARG A 23 -13.688 -10.505 -3.226 1.00 0.00 O ATOM 347 CB ARG A 23 -16.431 -11.607 -2.903 1.00 0.00 C ATOM 348 CG ARG A 23 -16.609 -12.536 -1.700 1.00 0.00 C ATOM 349 CD ARG A 23 -17.001 -13.945 -2.149 1.00 0.00 C ATOM 350 NE ARG A 23 -17.117 -14.837 -0.973 1.00 0.00 N ATOM 351 CZ ARG A 23 -16.074 -15.263 -0.248 1.00 0.00 C ATOM 352 NH1 ARG A 23 -14.831 -14.882 -0.574 1.00 0.00 N ATOM 353 NH2 ARG A 23 -16.273 -16.071 0.802 1.00 0.00 N ATOM 0 H ARG A 23 -15.525 -8.691 -3.825 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.427 -9.970 -1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -17.377 -11.512 -3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.714 -12.042 -3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.682 -12.577 -1.128 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -17.376 -12.135 -1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -17.948 -13.914 -2.687 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.255 -14.336 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 23 -18.049 -15.146 -0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.679 -14.268 -1.374 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.037 -15.206 -0.022 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.219 -16.362 1.050 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.479 -16.395 1.354 1.00 0.00 H new ATOM 367 N GLY A 24 -14.009 -10.010 -1.043 1.00 0.00 N ATOM 368 CA GLY A 24 -12.592 -10.010 -0.720 1.00 0.00 C ATOM 369 C GLY A 24 -12.373 -10.195 0.782 1.00 0.00 C ATOM 370 O GLY A 24 -13.061 -9.579 1.595 1.00 0.00 O ATOM 0 H GLY A 24 -14.626 -9.807 -0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.091 -10.810 -1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.141 -9.072 -1.044 1.00 0.00 H new ATOM 374 N GLY A 25 -11.411 -11.047 1.107 1.00 0.00 N ATOM 375 CA GLY A 25 -11.092 -11.322 2.497 1.00 0.00 C ATOM 376 C GLY A 25 -10.175 -10.240 3.073 1.00 0.00 C ATOM 377 O GLY A 25 -10.582 -9.088 3.216 1.00 0.00 O ATOM 0 H GLY A 25 -10.842 -11.556 0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.011 -11.374 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.607 -12.295 2.577 1.00 0.00 H new ATOM 381 N VAL A 26 -8.955 -10.649 3.388 1.00 0.00 N ATOM 382 CA VAL A 26 -7.978 -9.730 3.945 1.00 0.00 C ATOM 383 C VAL A 26 -6.573 -10.176 3.536 1.00 0.00 C ATOM 384 O VAL A 26 -5.767 -10.557 4.384 1.00 0.00 O ATOM 385 CB VAL A 26 -8.156 -9.632 5.462 1.00 0.00 C ATOM 386 CG1 VAL A 26 -8.152 -11.020 6.105 1.00 0.00 C ATOM 387 CG2 VAL A 26 -7.083 -8.736 6.083 1.00 0.00 C ATOM 0 H VAL A 26 -8.621 -11.605 3.268 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.129 -8.726 3.548 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.127 -9.176 5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.280 -10.922 7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.969 -11.613 5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.204 -11.515 5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.232 -8.683 7.161 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.097 -9.150 5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.154 -7.735 5.658 1.00 0.00 H new ATOM 397 N PRO A 27 -6.315 -10.113 2.203 1.00 0.00 N ATOM 398 CA PRO A 27 -5.021 -10.506 1.671 1.00 0.00 C ATOM 399 C PRO A 27 -3.962 -9.441 1.961 1.00 0.00 C ATOM 400 O PRO A 27 -4.157 -8.585 2.823 1.00 0.00 O ATOM 401 CB PRO A 27 -5.256 -10.721 0.184 1.00 0.00 C ATOM 402 CG PRO A 27 -6.550 -9.995 -0.143 1.00 0.00 C ATOM 403 CD PRO A 27 -7.245 -9.667 1.169 1.00 0.00 C ATOM 0 HA PRO A 27 -4.633 -11.413 2.135 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.427 -10.326 -0.403 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.334 -11.783 -0.049 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.345 -9.084 -0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.190 -10.618 -0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.448 -8.599 1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.203 -10.181 1.249 1.00 0.00 H new ATOM 411 N SER A 28 -2.864 -9.528 1.226 1.00 0.00 N ATOM 412 CA SER A 28 -1.774 -8.582 1.394 1.00 0.00 C ATOM 413 C SER A 28 -2.184 -7.209 0.857 1.00 0.00 C ATOM 414 O SER A 28 -2.070 -6.205 1.557 1.00 0.00 O ATOM 415 CB SER A 28 -0.507 -9.071 0.688 1.00 0.00 C ATOM 416 OG SER A 28 -0.742 -9.370 -0.685 1.00 0.00 O ATOM 0 H SER A 28 -2.705 -10.239 0.512 1.00 0.00 H new ATOM 0 HA SER A 28 -1.556 -8.498 2.459 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.268 -8.309 0.765 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.131 -9.960 1.193 1.00 0.00 H new ATOM 0 HG SER A 28 0.091 -9.677 -1.100 1.00 0.00 H new ATOM 422 N LEU A 29 -2.654 -7.210 -0.382 1.00 0.00 N ATOM 423 CA LEU A 29 -3.082 -5.978 -1.021 1.00 0.00 C ATOM 424 C LEU A 29 -3.861 -5.130 -0.014 1.00 0.00 C ATOM 425 O LEU A 29 -3.526 -3.969 0.216 1.00 0.00 O ATOM 426 CB LEU A 29 -3.862 -6.281 -2.302 1.00 0.00 C ATOM 427 CG LEU A 29 -4.491 -5.077 -3.005 1.00 0.00 C ATOM 428 CD1 LEU A 29 -3.416 -4.106 -3.499 1.00 0.00 C ATOM 429 CD2 LEU A 29 -5.420 -5.525 -4.135 1.00 0.00 C ATOM 0 H LEU A 29 -2.748 -8.045 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.218 -5.391 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.191 -6.777 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.654 -6.991 -2.062 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.102 -4.540 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.891 -3.259 -3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.831 -3.749 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.760 -4.617 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.854 -4.649 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.852 -6.099 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.217 -6.146 -3.726 1.00 0.00 H new ATOM 441 N ILE A 30 -4.886 -5.743 0.561 1.00 0.00 N ATOM 442 CA ILE A 30 -5.715 -5.059 1.538 1.00 0.00 C ATOM 443 C ILE A 30 -4.818 -4.375 2.572 1.00 0.00 C ATOM 444 O ILE A 30 -5.000 -3.197 2.875 1.00 0.00 O ATOM 445 CB ILE A 30 -6.731 -6.026 2.149 1.00 0.00 C ATOM 446 CG1 ILE A 30 -7.992 -6.114 1.287 1.00 0.00 C ATOM 447 CG2 ILE A 30 -7.051 -5.643 3.596 1.00 0.00 C ATOM 448 CD1 ILE A 30 -7.636 -6.325 -0.186 1.00 0.00 C ATOM 0 H ILE A 30 -5.161 -6.706 0.368 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.303 -4.277 1.058 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.286 -7.021 2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.618 -6.936 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.576 -5.200 1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.776 -6.346 4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.138 -5.674 4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.468 -4.636 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.550 -6.384 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.031 -5.489 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.073 -7.252 -0.295 1.00 0.00 H new ATOM 460 N ALA A 31 -3.869 -5.144 3.086 1.00 0.00 N ATOM 461 CA ALA A 31 -2.943 -4.627 4.079 1.00 0.00 C ATOM 462 C ALA A 31 -2.290 -3.350 3.546 1.00 0.00 C ATOM 463 O ALA A 31 -2.109 -2.386 4.288 1.00 0.00 O ATOM 464 CB ALA A 31 -1.915 -5.705 4.430 1.00 0.00 C ATOM 0 H ALA A 31 -3.722 -6.121 2.833 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.471 -4.369 4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.221 -5.317 5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.427 -6.579 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.364 -5.988 3.533 1.00 0.00 H new ATOM 470 N GLY A 32 -1.955 -3.386 2.265 1.00 0.00 N ATOM 471 CA GLY A 32 -1.326 -2.243 1.624 1.00 0.00 C ATOM 472 C GLY A 32 -2.306 -1.074 1.504 1.00 0.00 C ATOM 473 O GLY A 32 -1.897 0.086 1.517 1.00 0.00 O ATOM 0 H GLY A 32 -2.107 -4.188 1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.454 -1.933 2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.970 -2.527 0.634 1.00 0.00 H new ATOM 477 N LEU A 33 -3.579 -1.420 1.390 1.00 0.00 N ATOM 478 CA LEU A 33 -4.620 -0.414 1.268 1.00 0.00 C ATOM 479 C LEU A 33 -4.824 0.270 2.621 1.00 0.00 C ATOM 480 O LEU A 33 -4.890 1.496 2.698 1.00 0.00 O ATOM 481 CB LEU A 33 -5.897 -1.030 0.691 1.00 0.00 C ATOM 482 CG LEU A 33 -6.202 -0.695 -0.770 1.00 0.00 C ATOM 483 CD1 LEU A 33 -6.414 0.808 -0.956 1.00 0.00 C ATOM 484 CD2 LEU A 33 -5.113 -1.239 -1.697 1.00 0.00 C ATOM 0 H LEU A 33 -3.914 -2.383 1.380 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.320 0.360 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.830 -2.114 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.740 -0.707 1.301 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.135 -1.188 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.629 1.018 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.252 1.136 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.512 1.342 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.355 -0.987 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.153 -0.796 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.054 -2.322 -1.592 1.00 0.00 H new ATOM 496 N PHE A 34 -4.920 -0.553 3.655 1.00 0.00 N ATOM 497 CA PHE A 34 -5.115 -0.044 5.002 1.00 0.00 C ATOM 498 C PHE A 34 -3.971 0.888 5.407 1.00 0.00 C ATOM 499 O PHE A 34 -4.203 2.038 5.776 1.00 0.00 O ATOM 500 CB PHE A 34 -5.129 -1.252 5.940 1.00 0.00 C ATOM 501 CG PHE A 34 -6.530 -1.685 6.376 1.00 0.00 C ATOM 502 CD1 PHE A 34 -7.308 -2.418 5.536 1.00 0.00 C ATOM 503 CD2 PHE A 34 -6.998 -1.336 7.605 1.00 0.00 C ATOM 504 CE1 PHE A 34 -8.609 -2.820 5.941 1.00 0.00 C ATOM 505 CE2 PHE A 34 -8.298 -1.737 8.010 1.00 0.00 C ATOM 506 CZ PHE A 34 -9.076 -2.471 7.169 1.00 0.00 C ATOM 0 H PHE A 34 -4.866 -1.569 3.587 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.045 0.522 5.054 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.639 -2.090 5.444 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.540 -1.017 6.827 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.937 -2.695 4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.380 -0.754 8.273 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.227 -3.403 5.274 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.669 -1.460 8.985 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.065 -2.776 7.477 1.00 0.00 H new ATOM 516 N VAL A 35 -2.760 0.356 5.324 1.00 0.00 N ATOM 517 CA VAL A 35 -1.579 1.126 5.678 1.00 0.00 C ATOM 518 C VAL A 35 -1.533 2.399 4.831 1.00 0.00 C ATOM 519 O VAL A 35 -1.446 3.502 5.367 1.00 0.00 O ATOM 520 CB VAL A 35 -0.326 0.261 5.525 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.150 -0.200 4.077 1.00 0.00 C ATOM 522 CG2 VAL A 35 0.917 1.004 6.019 1.00 0.00 C ATOM 0 H VAL A 35 -2.571 -0.598 5.017 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.621 1.432 6.723 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.455 -0.626 6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.748 -0.813 3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.018 -0.786 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.055 0.670 3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.793 0.367 5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.050 1.917 5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.795 1.258 7.072 1.00 0.00 H new ATOM 532 N GLY A 36 -1.594 2.203 3.521 1.00 0.00 N ATOM 533 CA GLY A 36 -1.560 3.322 2.595 1.00 0.00 C ATOM 534 C GLY A 36 -2.610 4.372 2.965 1.00 0.00 C ATOM 535 O GLY A 36 -2.396 5.566 2.764 1.00 0.00 O ATOM 0 H GLY A 36 -1.667 1.286 3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.569 3.775 2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.739 2.965 1.581 1.00 0.00 H new ATOM 539 N CYS A 37 -3.721 3.888 3.499 1.00 0.00 N ATOM 540 CA CYS A 37 -4.805 4.770 3.899 1.00 0.00 C ATOM 541 C CYS A 37 -4.321 5.625 5.072 1.00 0.00 C ATOM 542 O CYS A 37 -4.226 6.846 4.958 1.00 0.00 O ATOM 543 CB CYS A 37 -6.072 3.987 4.248 1.00 0.00 C ATOM 544 SG CYS A 37 -7.552 5.005 3.902 1.00 0.00 S ATOM 0 H CYS A 37 -3.895 2.897 3.664 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.076 5.418 3.066 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.111 3.065 3.668 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.055 3.701 5.300 1.00 0.00 H new ATOM 0 HG CYS A 37 -8.622 4.330 4.200 1.00 0.00 H new ATOM 550 N LEU A 38 -4.027 4.949 6.173 1.00 0.00 N ATOM 551 CA LEU A 38 -3.555 5.631 7.366 1.00 0.00 C ATOM 552 C LEU A 38 -2.580 6.739 6.963 1.00 0.00 C ATOM 553 O LEU A 38 -2.658 7.856 7.473 1.00 0.00 O ATOM 554 CB LEU A 38 -2.968 4.627 8.361 1.00 0.00 C ATOM 555 CG LEU A 38 -3.075 5.006 9.839 1.00 0.00 C ATOM 556 CD1 LEU A 38 -4.356 4.443 10.458 1.00 0.00 C ATOM 557 CD2 LEU A 38 -1.827 4.570 10.609 1.00 0.00 C ATOM 0 H LEU A 38 -4.107 3.936 6.264 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.386 6.110 7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.466 3.668 8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.915 4.480 8.120 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.133 6.092 9.909 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.407 4.727 11.509 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.222 4.844 9.931 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.353 3.356 10.375 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.929 4.852 11.657 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.712 3.489 10.533 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.949 5.059 10.186 1.00 0.00 H new ATOM 569 N ALA A 39 -1.683 6.391 6.052 1.00 0.00 N ATOM 570 CA ALA A 39 -0.694 7.343 5.574 1.00 0.00 C ATOM 571 C ALA A 39 -1.408 8.565 4.992 1.00 0.00 C ATOM 572 O ALA A 39 -1.272 9.672 5.510 1.00 0.00 O ATOM 573 CB ALA A 39 0.220 6.660 4.554 1.00 0.00 C ATOM 0 H ALA A 39 -1.620 5.463 5.632 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.066 7.689 6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.962 7.373 4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.725 5.817 5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.375 6.302 3.714 1.00 0.00 H new ATOM 579 N GLY A 40 -2.151 8.322 3.923 1.00 0.00 N ATOM 580 CA GLY A 40 -2.886 9.389 3.264 1.00 0.00 C ATOM 581 C GLY A 40 -3.757 10.152 4.264 1.00 0.00 C ATOM 582 O GLY A 40 -3.492 11.316 4.563 1.00 0.00 O ATOM 0 H GLY A 40 -2.260 7.402 3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.187 10.076 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.512 8.971 2.475 1.00 0.00 H new ATOM 586 N TYR A 41 -4.780 9.466 4.754 1.00 0.00 N ATOM 587 CA TYR A 41 -5.692 10.065 5.713 1.00 0.00 C ATOM 588 C TYR A 41 -4.946 10.998 6.670 1.00 0.00 C ATOM 589 O TYR A 41 -5.287 12.174 6.788 1.00 0.00 O ATOM 590 CB TYR A 41 -6.286 8.903 6.512 1.00 0.00 C ATOM 591 CG TYR A 41 -7.810 8.949 6.637 1.00 0.00 C ATOM 592 CD1 TYR A 41 -8.601 8.518 5.591 1.00 0.00 C ATOM 593 CD2 TYR A 41 -8.394 9.421 7.795 1.00 0.00 C ATOM 594 CE1 TYR A 41 -10.035 8.561 5.708 1.00 0.00 C ATOM 595 CE2 TYR A 41 -9.829 9.463 7.912 1.00 0.00 C ATOM 596 CZ TYR A 41 -10.579 9.031 6.862 1.00 0.00 C ATOM 597 OH TYR A 41 -11.934 9.072 6.973 1.00 0.00 O ATOM 0 H TYR A 41 -4.997 8.501 4.504 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.454 10.654 5.202 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.999 7.965 6.037 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.850 8.902 7.511 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.144 8.149 4.685 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.775 9.759 8.613 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.665 8.227 4.897 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.299 9.829 8.813 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.180 9.429 7.852 1.00 0.00 H new ATOM 607 N GLY A 42 -3.942 10.438 7.329 1.00 0.00 N ATOM 608 CA GLY A 42 -3.145 11.204 8.272 1.00 0.00 C ATOM 609 C GLY A 42 -2.670 12.517 7.647 1.00 0.00 C ATOM 610 O GLY A 42 -2.892 13.591 8.205 1.00 0.00 O ATOM 0 H GLY A 42 -3.662 9.462 7.228 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.734 11.414 9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.284 10.615 8.589 1.00 0.00 H new ATOM 614 N ALA A 43 -2.024 12.389 6.497 1.00 0.00 N ATOM 615 CA ALA A 43 -1.515 13.552 5.791 1.00 0.00 C ATOM 616 C ALA A 43 -2.655 14.547 5.568 1.00 0.00 C ATOM 617 O ALA A 43 -2.429 15.756 5.526 1.00 0.00 O ATOM 618 CB ALA A 43 -0.864 13.108 4.479 1.00 0.00 C ATOM 0 H ALA A 43 -1.842 11.497 6.037 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.749 14.055 6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.482 13.980 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.042 12.425 4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.604 12.602 3.859 1.00 0.00 H new ATOM 624 N TYR A 44 -3.855 14.003 5.432 1.00 0.00 N ATOM 625 CA TYR A 44 -5.031 14.828 5.215 1.00 0.00 C ATOM 626 C TYR A 44 -5.508 15.458 6.525 1.00 0.00 C ATOM 627 O TYR A 44 -6.080 16.547 6.522 1.00 0.00 O ATOM 628 CB TYR A 44 -6.117 13.886 4.690 1.00 0.00 C ATOM 629 CG TYR A 44 -7.175 14.576 3.827 1.00 0.00 C ATOM 630 CD1 TYR A 44 -6.791 15.461 2.841 1.00 0.00 C ATOM 631 CD2 TYR A 44 -8.514 14.312 4.035 1.00 0.00 C ATOM 632 CE1 TYR A 44 -7.788 16.110 2.028 1.00 0.00 C ATOM 633 CE2 TYR A 44 -9.510 14.961 3.223 1.00 0.00 C ATOM 634 CZ TYR A 44 -9.098 15.828 2.260 1.00 0.00 C ATOM 635 OH TYR A 44 -10.039 16.441 1.492 1.00 0.00 O ATOM 0 H TYR A 44 -4.038 13.000 5.468 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.809 15.638 4.520 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.646 13.095 4.106 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.609 13.408 5.537 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.743 15.667 2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.814 13.619 4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.502 16.805 1.252 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.561 14.764 3.375 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.931 16.144 1.768 1.00 0.00 H new ATOM 645 N ARG A 45 -5.256 14.745 7.613 1.00 0.00 N ATOM 646 CA ARG A 45 -5.653 15.221 8.927 1.00 0.00 C ATOM 647 C ARG A 45 -4.790 16.414 9.343 1.00 0.00 C ATOM 648 O ARG A 45 -5.260 17.311 10.041 1.00 0.00 O ATOM 649 CB ARG A 45 -5.521 14.114 9.976 1.00 0.00 C ATOM 650 CG ARG A 45 -6.535 14.306 11.106 1.00 0.00 C ATOM 651 CD ARG A 45 -7.865 13.629 10.769 1.00 0.00 C ATOM 652 NE ARG A 45 -8.916 14.083 11.708 1.00 0.00 N ATOM 653 CZ ARG A 45 -10.140 13.543 11.784 1.00 0.00 C ATOM 654 NH1 ARG A 45 -10.475 12.527 10.977 1.00 0.00 N ATOM 655 NH2 ARG A 45 -11.029 14.019 12.666 1.00 0.00 N ATOM 0 H ARG A 45 -4.782 13.842 7.611 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.697 15.528 8.867 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.674 13.143 9.506 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.511 14.114 10.385 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.136 13.892 12.032 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.697 15.370 11.277 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.154 13.866 9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.756 12.546 10.828 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.694 14.855 12.336 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.798 12.165 10.305 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.407 12.116 11.035 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.774 14.793 13.280 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.961 13.608 12.724 1.00 0.00 H new ATOM 669 N VAL A 46 -3.543 16.385 8.897 1.00 0.00 N ATOM 670 CA VAL A 46 -2.610 17.454 9.214 1.00 0.00 C ATOM 671 C VAL A 46 -2.297 17.424 10.711 1.00 0.00 C ATOM 672 O VAL A 46 -2.729 18.301 11.457 1.00 0.00 O ATOM 673 CB VAL A 46 -3.175 18.797 8.748 1.00 0.00 C ATOM 674 CG1 VAL A 46 -2.129 19.906 8.876 1.00 0.00 C ATOM 675 CG2 VAL A 46 -3.702 18.703 7.315 1.00 0.00 C ATOM 0 H VAL A 46 -3.157 15.639 8.319 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.669 17.310 8.682 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.013 19.051 9.397 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.556 20.850 8.538 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.823 19.999 9.918 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.262 19.661 8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.098 19.671 7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.890 18.415 6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.494 17.956 7.267 1.00 0.00 H new ATOM 685 N SER A 47 -1.547 16.405 11.106 1.00 0.00 N ATOM 686 CA SER A 47 -1.171 16.249 12.500 1.00 0.00 C ATOM 687 C SER A 47 0.327 15.958 12.609 1.00 0.00 C ATOM 688 O SER A 47 0.784 15.399 13.605 1.00 0.00 O ATOM 689 CB SER A 47 -1.978 15.134 13.167 1.00 0.00 C ATOM 690 OG SER A 47 -2.131 14.002 12.315 1.00 0.00 O ATOM 0 H SER A 47 -1.190 15.680 10.484 1.00 0.00 H new ATOM 0 HA SER A 47 -1.392 17.181 13.020 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.482 14.829 14.089 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.961 15.514 13.444 1.00 0.00 H new ATOM 0 HG SER A 47 -2.650 13.312 12.778 1.00 0.00 H new ATOM 696 N ASN A 48 1.050 16.350 11.570 1.00 0.00 N ATOM 697 CA ASN A 48 2.487 16.137 11.536 1.00 0.00 C ATOM 698 C ASN A 48 3.115 17.089 10.516 1.00 0.00 C ATOM 699 O ASN A 48 2.427 17.932 9.943 1.00 0.00 O ATOM 700 CB ASN A 48 2.823 14.705 11.116 1.00 0.00 C ATOM 701 CG ASN A 48 4.097 14.215 11.808 1.00 0.00 C ATOM 702 OD1 ASN A 48 4.782 14.951 12.498 1.00 0.00 O ATOM 703 ND2 ASN A 48 4.374 12.934 11.585 1.00 0.00 N ATOM 0 H ASN A 48 0.668 16.814 10.746 1.00 0.00 H new ATOM 0 HA ASN A 48 2.878 16.320 12.537 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.992 14.045 11.366 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.952 14.660 10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.203 12.511 12.002 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.757 12.374 10.996 1.00 0.00 H new ATOM 710 N ASP A 49 4.415 16.921 10.320 1.00 0.00 N ATOM 711 CA ASP A 49 5.143 17.755 9.378 1.00 0.00 C ATOM 712 C ASP A 49 5.273 17.017 8.044 1.00 0.00 C ATOM 713 O ASP A 49 5.655 17.610 7.037 1.00 0.00 O ATOM 714 CB ASP A 49 6.553 18.060 9.889 1.00 0.00 C ATOM 715 CG ASP A 49 7.233 16.911 10.636 1.00 0.00 C ATOM 716 OD1 ASP A 49 6.818 16.535 11.742 1.00 0.00 O ATOM 717 OD2 ASP A 49 8.243 16.388 10.028 1.00 0.00 O ATOM 0 H ASP A 49 4.982 16.220 10.797 1.00 0.00 H new ATOM 0 HA ASP A 49 4.593 18.688 9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.177 18.342 9.041 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.504 18.925 10.551 1.00 0.00 H new ATOM 780 N VAL A 53 4.595 12.794 0.467 1.00 0.00 N ATOM 781 CA VAL A 53 4.422 11.379 0.186 1.00 0.00 C ATOM 782 C VAL A 53 5.594 10.599 0.785 1.00 0.00 C ATOM 783 O VAL A 53 6.074 9.636 0.187 1.00 0.00 O ATOM 784 CB VAL A 53 4.265 11.159 -1.319 1.00 0.00 C ATOM 785 CG1 VAL A 53 4.062 9.677 -1.639 1.00 0.00 C ATOM 786 CG2 VAL A 53 3.118 12.003 -1.880 1.00 0.00 C ATOM 0 HA VAL A 53 3.510 11.006 0.652 1.00 0.00 H new ATOM 0 HB VAL A 53 5.187 11.483 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.953 9.549 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.924 9.108 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.164 9.316 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.028 11.828 -2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.186 11.724 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.322 13.059 -1.701 1.00 0.00 H new ATOM 796 N LYS A 54 6.021 11.042 1.958 1.00 0.00 N ATOM 797 CA LYS A 54 7.128 10.397 2.644 1.00 0.00 C ATOM 798 C LYS A 54 6.591 9.251 3.504 1.00 0.00 C ATOM 799 O LYS A 54 7.086 8.127 3.426 1.00 0.00 O ATOM 800 CB LYS A 54 7.944 11.425 3.431 1.00 0.00 C ATOM 801 CG LYS A 54 9.432 11.070 3.420 1.00 0.00 C ATOM 802 CD LYS A 54 10.200 11.958 2.439 1.00 0.00 C ATOM 803 CE LYS A 54 11.146 11.125 1.571 1.00 0.00 C ATOM 804 NZ LYS A 54 12.503 11.098 2.163 1.00 0.00 N ATOM 0 H LYS A 54 5.620 11.840 2.451 1.00 0.00 H new ATOM 0 HA LYS A 54 7.819 9.960 1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.800 12.416 3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.585 11.469 4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.845 11.187 4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.558 10.023 3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.497 12.497 1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.770 12.706 2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.763 10.109 1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.190 11.543 0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.133 10.529 1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.872 12.068 2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.459 10.678 3.113 1.00 0.00 H new ATOM 818 N VAL A 55 5.586 9.574 4.304 1.00 0.00 N ATOM 819 CA VAL A 55 4.976 8.586 5.177 1.00 0.00 C ATOM 820 C VAL A 55 4.865 7.254 4.433 1.00 0.00 C ATOM 821 O VAL A 55 5.259 6.212 4.955 1.00 0.00 O ATOM 822 CB VAL A 55 3.629 9.099 5.688 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.994 8.100 6.658 1.00 0.00 C ATOM 824 CG2 VAL A 55 3.777 10.476 6.339 1.00 0.00 C ATOM 0 H VAL A 55 5.178 10.507 4.366 1.00 0.00 H new ATOM 0 HA VAL A 55 5.598 8.417 6.056 1.00 0.00 H new ATOM 0 HB VAL A 55 2.964 9.204 4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.037 8.489 7.006 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.835 7.149 6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.656 7.949 7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.804 10.817 6.694 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.467 10.408 7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.165 11.184 5.607 1.00 0.00 H new ATOM 834 N SER A 56 4.327 7.331 3.224 1.00 0.00 N ATOM 835 CA SER A 56 4.159 6.144 2.403 1.00 0.00 C ATOM 836 C SER A 56 5.461 5.342 2.369 1.00 0.00 C ATOM 837 O SER A 56 5.469 4.150 2.672 1.00 0.00 O ATOM 838 CB SER A 56 3.726 6.514 0.983 1.00 0.00 C ATOM 839 OG SER A 56 2.316 6.402 0.809 1.00 0.00 O ATOM 0 H SER A 56 4.002 8.197 2.794 1.00 0.00 H new ATOM 0 HA SER A 56 3.374 5.531 2.845 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.039 7.535 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.232 5.865 0.269 1.00 0.00 H new ATOM 0 HG SER A 56 2.079 6.648 -0.110 1.00 0.00 H new ATOM 845 N LEU A 57 6.532 6.029 1.998 1.00 0.00 N ATOM 846 CA LEU A 57 7.837 5.396 1.920 1.00 0.00 C ATOM 847 C LEU A 57 8.176 4.768 3.274 1.00 0.00 C ATOM 848 O LEU A 57 8.833 3.730 3.334 1.00 0.00 O ATOM 849 CB LEU A 57 8.887 6.392 1.424 1.00 0.00 C ATOM 850 CG LEU A 57 10.130 5.786 0.768 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.861 6.825 -0.085 1.00 0.00 C ATOM 852 CD2 LEU A 57 11.049 5.153 1.814 1.00 0.00 C ATOM 0 H LEU A 57 6.522 7.018 1.748 1.00 0.00 H new ATOM 0 HA LEU A 57 7.826 4.589 1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.413 7.063 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.207 7.002 2.268 1.00 0.00 H new ATOM 0 HG LEU A 57 9.809 4.988 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.740 6.369 -0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.194 7.187 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.170 7.660 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.924 4.730 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.366 5.914 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.512 4.364 2.340 1.00 0.00 H new ATOM 864 N PHE A 58 7.713 5.425 4.327 1.00 0.00 N ATOM 865 CA PHE A 58 7.958 4.944 5.676 1.00 0.00 C ATOM 866 C PHE A 58 7.186 3.651 5.947 1.00 0.00 C ATOM 867 O PHE A 58 7.647 2.795 6.700 1.00 0.00 O ATOM 868 CB PHE A 58 7.464 6.029 6.635 1.00 0.00 C ATOM 869 CG PHE A 58 8.402 6.291 7.815 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.622 6.852 7.602 1.00 0.00 C ATOM 871 CD2 PHE A 58 8.015 5.964 9.077 1.00 0.00 C ATOM 872 CE1 PHE A 58 10.493 7.095 8.697 1.00 0.00 C ATOM 873 CE2 PHE A 58 8.885 6.207 10.172 1.00 0.00 C ATOM 874 CZ PHE A 58 10.106 6.768 9.959 1.00 0.00 C ATOM 0 H PHE A 58 7.169 6.286 4.273 1.00 0.00 H new ATOM 0 HA PHE A 58 9.020 4.736 5.809 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.329 6.957 6.079 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.485 5.742 7.019 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.929 7.113 6.600 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.045 5.519 9.246 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.463 7.539 8.528 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.578 5.947 11.174 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.768 6.954 10.792 1.00 0.00 H new ATOM 884 N THR A 59 6.025 3.550 5.317 1.00 0.00 N ATOM 885 CA THR A 59 5.185 2.376 5.480 1.00 0.00 C ATOM 886 C THR A 59 5.712 1.220 4.628 1.00 0.00 C ATOM 887 O THR A 59 5.646 0.062 5.038 1.00 0.00 O ATOM 888 CB THR A 59 3.746 2.774 5.142 1.00 0.00 C ATOM 889 OG1 THR A 59 3.738 2.869 3.720 1.00 0.00 O ATOM 890 CG2 THR A 59 3.403 4.189 5.612 1.00 0.00 C ATOM 0 H THR A 59 5.646 4.262 4.693 1.00 0.00 H new ATOM 0 HA THR A 59 5.205 2.015 6.508 1.00 0.00 H new ATOM 0 HB THR A 59 3.056 2.064 5.598 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.424 3.506 3.431 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.371 4.420 5.347 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.523 4.252 6.694 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.070 4.904 5.131 1.00 0.00 H new ATOM 898 N ALA A 60 6.224 1.575 3.459 1.00 0.00 N ATOM 899 CA ALA A 60 6.763 0.581 2.546 1.00 0.00 C ATOM 900 C ALA A 60 8.035 -0.021 3.146 1.00 0.00 C ATOM 901 O ALA A 60 8.277 -1.220 3.022 1.00 0.00 O ATOM 902 CB ALA A 60 7.011 1.224 1.180 1.00 0.00 C ATOM 0 H ALA A 60 6.277 2.537 3.123 1.00 0.00 H new ATOM 0 HA ALA A 60 6.051 -0.231 2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.415 0.479 0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.072 1.610 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.723 2.042 1.287 1.00 0.00 H new ATOM 908 N PHE A 61 8.814 0.840 3.784 1.00 0.00 N ATOM 909 CA PHE A 61 10.056 0.408 4.404 1.00 0.00 C ATOM 910 C PHE A 61 9.781 -0.446 5.643 1.00 0.00 C ATOM 911 O PHE A 61 10.256 -1.577 5.740 1.00 0.00 O ATOM 912 CB PHE A 61 10.808 1.672 4.827 1.00 0.00 C ATOM 913 CG PHE A 61 12.146 1.398 5.516 1.00 0.00 C ATOM 914 CD1 PHE A 61 12.170 0.880 6.774 1.00 0.00 C ATOM 915 CD2 PHE A 61 13.311 1.673 4.872 1.00 0.00 C ATOM 916 CE1 PHE A 61 13.412 0.626 7.413 1.00 0.00 C ATOM 917 CE2 PHE A 61 14.553 1.419 5.512 1.00 0.00 C ATOM 918 CZ PHE A 61 14.577 0.901 6.769 1.00 0.00 C ATOM 0 H PHE A 61 8.610 1.834 3.885 1.00 0.00 H new ATOM 0 HA PHE A 61 10.634 -0.193 3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.984 2.290 3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.176 2.250 5.501 1.00 0.00 H new ATOM 0 HD1 PHE A 61 11.244 0.662 7.286 1.00 0.00 H new ATOM 0 HD2 PHE A 61 13.292 2.085 3.874 1.00 0.00 H new ATOM 0 HE1 PHE A 61 13.431 0.214 8.411 1.00 0.00 H new ATOM 0 HE2 PHE A 61 15.479 1.637 5.000 1.00 0.00 H new ATOM 0 HZ PHE A 61 15.522 0.708 7.256 1.00 0.00 H new ATOM 928 N PHE A 62 9.016 0.127 6.561 1.00 0.00 N ATOM 929 CA PHE A 62 8.673 -0.568 7.790 1.00 0.00 C ATOM 930 C PHE A 62 7.917 -1.865 7.494 1.00 0.00 C ATOM 931 O PHE A 62 8.176 -2.894 8.116 1.00 0.00 O ATOM 932 CB PHE A 62 7.764 0.366 8.593 1.00 0.00 C ATOM 933 CG PHE A 62 7.857 0.173 10.108 1.00 0.00 C ATOM 934 CD1 PHE A 62 7.733 -1.071 10.644 1.00 0.00 C ATOM 935 CD2 PHE A 62 8.064 1.245 10.918 1.00 0.00 C ATOM 936 CE1 PHE A 62 7.819 -1.250 12.050 1.00 0.00 C ATOM 937 CE2 PHE A 62 8.150 1.066 12.324 1.00 0.00 C ATOM 938 CZ PHE A 62 8.026 -0.177 12.860 1.00 0.00 C ATOM 0 H PHE A 62 8.624 1.065 6.478 1.00 0.00 H new ATOM 0 HA PHE A 62 9.580 -0.824 8.338 1.00 0.00 H new ATOM 0 HB2 PHE A 62 8.017 1.398 8.352 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.732 0.210 8.280 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.569 -1.923 10.000 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.163 2.233 10.492 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.720 -2.237 12.476 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.314 1.918 12.968 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.092 -0.313 13.929 1.00 0.00 H new ATOM 948 N LEU A 63 6.998 -1.773 6.544 1.00 0.00 N ATOM 949 CA LEU A 63 6.203 -2.926 6.157 1.00 0.00 C ATOM 950 C LEU A 63 7.130 -4.030 5.642 1.00 0.00 C ATOM 951 O LEU A 63 7.114 -5.148 6.154 1.00 0.00 O ATOM 952 CB LEU A 63 5.118 -2.519 5.159 1.00 0.00 C ATOM 953 CG LEU A 63 4.250 -3.654 4.611 1.00 0.00 C ATOM 954 CD1 LEU A 63 2.805 -3.192 4.412 1.00 0.00 C ATOM 955 CD2 LEU A 63 4.849 -4.232 3.328 1.00 0.00 C ATOM 0 H LEU A 63 6.786 -0.917 6.031 1.00 0.00 H new ATOM 0 HA LEU A 63 5.674 -3.330 7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.466 -1.789 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.596 -2.015 4.319 1.00 0.00 H new ATOM 0 HG LEU A 63 4.233 -4.457 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.210 -4.017 4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.392 -2.866 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.782 -2.362 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.213 -5.037 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.917 -3.449 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.845 -4.623 3.536 1.00 0.00 H new ATOM 967 N ALA A 64 7.916 -3.676 4.636 1.00 0.00 N ATOM 968 CA ALA A 64 8.848 -4.622 4.046 1.00 0.00 C ATOM 969 C ALA A 64 9.614 -5.338 5.159 1.00 0.00 C ATOM 970 O ALA A 64 9.520 -6.557 5.299 1.00 0.00 O ATOM 971 CB ALA A 64 9.777 -3.887 3.078 1.00 0.00 C ATOM 0 H ALA A 64 7.927 -2.747 4.214 1.00 0.00 H new ATOM 0 HA ALA A 64 8.314 -5.380 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.476 -4.596 2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.186 -3.420 2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.332 -3.120 3.618 1.00 0.00 H new ATOM 977 N THR A 65 10.356 -4.551 5.924 1.00 0.00 N ATOM 978 CA THR A 65 11.139 -5.095 7.021 1.00 0.00 C ATOM 979 C THR A 65 10.246 -5.906 7.962 1.00 0.00 C ATOM 980 O THR A 65 10.708 -6.850 8.602 1.00 0.00 O ATOM 981 CB THR A 65 11.854 -3.933 7.714 1.00 0.00 C ATOM 982 OG1 THR A 65 12.900 -3.583 6.813 1.00 0.00 O ATOM 983 CG2 THR A 65 12.586 -4.369 8.984 1.00 0.00 C ATOM 0 H THR A 65 10.432 -3.541 5.806 1.00 0.00 H new ATOM 0 HA THR A 65 11.895 -5.792 6.660 1.00 0.00 H new ATOM 0 HB THR A 65 11.130 -3.157 7.962 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.414 -2.835 7.183 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.076 -3.506 9.436 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.870 -4.791 9.690 1.00 0.00 H new ATOM 0 HG23 THR A 65 13.334 -5.121 8.733 1.00 0.00 H new ATOM 991 N ILE A 66 8.983 -5.509 8.017 1.00 0.00 N ATOM 992 CA ILE A 66 8.022 -6.188 8.869 1.00 0.00 C ATOM 993 C ILE A 66 7.820 -7.618 8.365 1.00 0.00 C ATOM 994 O ILE A 66 7.708 -8.550 9.160 1.00 0.00 O ATOM 995 CB ILE A 66 6.725 -5.380 8.962 1.00 0.00 C ATOM 996 CG1 ILE A 66 6.582 -4.730 10.340 1.00 0.00 C ATOM 997 CG2 ILE A 66 5.514 -6.246 8.609 1.00 0.00 C ATOM 998 CD1 ILE A 66 6.606 -5.783 11.449 1.00 0.00 C ATOM 0 H ILE A 66 8.603 -4.726 7.485 1.00 0.00 H new ATOM 0 HA ILE A 66 8.401 -6.260 9.889 1.00 0.00 H new ATOM 0 HB ILE A 66 6.770 -4.575 8.229 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.391 -4.016 10.495 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.648 -4.169 10.386 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.605 -5.648 8.683 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.620 -6.622 7.591 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.453 -7.086 9.301 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.503 -5.294 12.418 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.782 -6.481 11.305 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.551 -6.325 11.415 1.00 0.00 H new ATOM 1010 N MET A 67 7.781 -7.747 7.047 1.00 0.00 N ATOM 1011 CA MET A 67 7.596 -9.048 6.428 1.00 0.00 C ATOM 1012 C MET A 67 8.941 -9.729 6.169 1.00 0.00 C ATOM 1013 O MET A 67 9.032 -10.956 6.176 1.00 0.00 O ATOM 1014 CB MET A 67 6.845 -8.882 5.105 1.00 0.00 C ATOM 1015 CG MET A 67 7.618 -7.974 4.146 1.00 0.00 C ATOM 1016 SD MET A 67 6.977 -8.151 2.489 1.00 0.00 S ATOM 1017 CE MET A 67 8.233 -7.271 1.576 1.00 0.00 C ATOM 0 H MET A 67 7.874 -6.972 6.391 1.00 0.00 H new ATOM 0 HA MET A 67 7.018 -9.674 7.108 1.00 0.00 H new ATOM 0 HB2 MET A 67 6.693 -9.858 4.644 1.00 0.00 H new ATOM 0 HB3 MET A 67 5.857 -8.461 5.294 1.00 0.00 H new ATOM 0 HG2 MET A 67 7.535 -6.936 4.468 1.00 0.00 H new ATOM 0 HG3 MET A 67 8.677 -8.230 4.164 1.00 0.00 H new ATOM 0 HE1 MET A 67 8.407 -7.771 0.623 1.00 0.00 H new ATOM 0 HE2 MET A 67 7.902 -6.249 1.394 1.00 0.00 H new ATOM 0 HE3 MET A 67 9.158 -7.256 2.152 1.00 0.00 H new ATOM 1027 N GLY A 68 9.953 -8.903 5.947 1.00 0.00 N ATOM 1028 CA GLY A 68 11.290 -9.410 5.686 1.00 0.00 C ATOM 1029 C GLY A 68 12.347 -8.344 5.977 1.00 0.00 C ATOM 1030 O GLY A 68 12.449 -7.855 7.101 1.00 0.00 O ATOM 0 H GLY A 68 9.874 -7.886 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.476 -10.289 6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.366 -9.728 4.646 1.00 0.00 H new ATOM 1231 N PRO A 79 6.513 -10.169 -2.695 1.00 0.00 N ATOM 1232 CA PRO A 79 7.726 -9.385 -2.530 1.00 0.00 C ATOM 1233 C PRO A 79 7.733 -8.182 -3.476 1.00 0.00 C ATOM 1234 O PRO A 79 7.539 -7.047 -3.043 1.00 0.00 O ATOM 1235 CB PRO A 79 8.862 -10.358 -2.798 1.00 0.00 C ATOM 1236 CG PRO A 79 8.244 -11.524 -3.553 1.00 0.00 C ATOM 1237 CD PRO A 79 6.734 -11.415 -3.422 1.00 0.00 C ATOM 0 HA PRO A 79 7.816 -8.953 -1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.650 -9.886 -3.385 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.317 -10.693 -1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.539 -11.499 -4.602 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.595 -12.472 -3.145 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.252 -11.394 -4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.321 -12.267 -2.882 1.00 0.00 H new ATOM 1245 N ALA A 80 7.959 -8.472 -4.749 1.00 0.00 N ATOM 1246 CA ALA A 80 7.994 -7.428 -5.759 1.00 0.00 C ATOM 1247 C ALA A 80 6.602 -6.808 -5.894 1.00 0.00 C ATOM 1248 O ALA A 80 6.461 -5.586 -5.896 1.00 0.00 O ATOM 1249 CB ALA A 80 8.502 -8.012 -7.079 1.00 0.00 C ATOM 0 H ALA A 80 8.120 -9.415 -5.104 1.00 0.00 H new ATOM 0 HA ALA A 80 8.682 -6.634 -5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.528 -7.229 -7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.505 -8.414 -6.937 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.835 -8.810 -7.405 1.00 0.00 H new ATOM 1255 N GLY A 81 5.609 -7.678 -6.003 1.00 0.00 N ATOM 1256 CA GLY A 81 4.233 -7.231 -6.138 1.00 0.00 C ATOM 1257 C GLY A 81 3.951 -6.040 -5.220 1.00 0.00 C ATOM 1258 O GLY A 81 3.460 -5.007 -5.671 1.00 0.00 O ATOM 0 H GLY A 81 5.730 -8.691 -6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.038 -6.951 -7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 81 3.555 -8.050 -5.896 1.00 0.00 H new ATOM 1262 N LEU A 82 4.274 -6.225 -3.948 1.00 0.00 N ATOM 1263 CA LEU A 82 4.061 -5.179 -2.963 1.00 0.00 C ATOM 1264 C LEU A 82 4.658 -3.868 -3.480 1.00 0.00 C ATOM 1265 O LEU A 82 4.001 -2.828 -3.450 1.00 0.00 O ATOM 1266 CB LEU A 82 4.608 -5.607 -1.600 1.00 0.00 C ATOM 1267 CG LEU A 82 3.575 -6.114 -0.592 1.00 0.00 C ATOM 1268 CD1 LEU A 82 4.253 -6.602 0.690 1.00 0.00 C ATOM 1269 CD2 LEU A 82 2.515 -5.047 -0.309 1.00 0.00 C ATOM 0 H LEU A 82 4.681 -7.084 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 82 2.995 -5.008 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.348 -6.392 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.132 -4.759 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 82 3.062 -6.970 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.496 -6.957 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.938 -7.416 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.809 -5.781 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.793 -5.433 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.994 -4.157 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.002 -4.789 -1.235 1.00 0.00 H new ATOM 1281 N VAL A 83 5.896 -3.960 -3.943 1.00 0.00 N ATOM 1282 CA VAL A 83 6.588 -2.795 -4.466 1.00 0.00 C ATOM 1283 C VAL A 83 5.766 -2.187 -5.604 1.00 0.00 C ATOM 1284 O VAL A 83 5.725 -0.968 -5.763 1.00 0.00 O ATOM 1285 CB VAL A 83 8.008 -3.176 -4.891 1.00 0.00 C ATOM 1286 CG1 VAL A 83 8.755 -1.966 -5.456 1.00 0.00 C ATOM 1287 CG2 VAL A 83 8.779 -3.803 -3.727 1.00 0.00 C ATOM 0 H VAL A 83 6.438 -4.824 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 83 6.688 -2.032 -3.694 1.00 0.00 H new ATOM 0 HB VAL A 83 7.932 -3.922 -5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.761 -2.264 -5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.221 -1.583 -6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.815 -1.188 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.785 -4.065 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.840 -3.090 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.262 -4.702 -3.390 1.00 0.00 H new ATOM 1297 N ALA A 84 5.132 -3.065 -6.367 1.00 0.00 N ATOM 1298 CA ALA A 84 4.313 -2.630 -7.486 1.00 0.00 C ATOM 1299 C ALA A 84 3.064 -1.925 -6.955 1.00 0.00 C ATOM 1300 O ALA A 84 2.523 -1.035 -7.610 1.00 0.00 O ATOM 1301 CB ALA A 84 3.973 -3.833 -8.368 1.00 0.00 C ATOM 0 H ALA A 84 5.169 -4.075 -6.233 1.00 0.00 H new ATOM 0 HA ALA A 84 4.857 -1.916 -8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.359 -3.507 -9.207 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.893 -4.280 -8.744 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.424 -4.570 -7.782 1.00 0.00 H new ATOM 1307 N GLY A 85 2.641 -2.349 -5.773 1.00 0.00 N ATOM 1308 CA GLY A 85 1.466 -1.769 -5.147 1.00 0.00 C ATOM 1309 C GLY A 85 1.759 -0.359 -4.630 1.00 0.00 C ATOM 1310 O GLY A 85 1.016 0.578 -4.918 1.00 0.00 O ATOM 0 H GLY A 85 3.091 -3.088 -5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.647 -1.734 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.139 -2.402 -4.322 1.00 0.00 H new ATOM 1314 N LEU A 86 2.843 -0.253 -3.876 1.00 0.00 N ATOM 1315 CA LEU A 86 3.243 1.027 -3.317 1.00 0.00 C ATOM 1316 C LEU A 86 3.508 2.015 -4.454 1.00 0.00 C ATOM 1317 O LEU A 86 3.127 3.182 -4.369 1.00 0.00 O ATOM 1318 CB LEU A 86 4.430 0.849 -2.368 1.00 0.00 C ATOM 1319 CG LEU A 86 4.256 -0.196 -1.264 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.543 -0.998 -1.061 1.00 0.00 C ATOM 1321 CD2 LEU A 86 3.773 0.453 0.034 1.00 0.00 C ATOM 0 H LEU A 86 3.457 -1.033 -3.639 1.00 0.00 H new ATOM 0 HA LEU A 86 2.440 1.446 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.305 0.581 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.643 1.810 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 86 3.485 -0.900 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.392 -1.734 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.803 -1.509 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.351 -0.323 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.657 -0.312 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.503 1.192 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.814 0.942 -0.138 1.00 0.00 H new ATOM 1333 N SER A 87 4.158 1.512 -5.493 1.00 0.00 N ATOM 1334 CA SER A 87 4.478 2.336 -6.647 1.00 0.00 C ATOM 1335 C SER A 87 3.192 2.857 -7.290 1.00 0.00 C ATOM 1336 O SER A 87 3.041 4.060 -7.499 1.00 0.00 O ATOM 1337 CB SER A 87 5.305 1.554 -7.670 1.00 0.00 C ATOM 1338 OG SER A 87 6.672 1.954 -7.668 1.00 0.00 O ATOM 0 H SER A 87 4.472 0.544 -5.560 1.00 0.00 H new ATOM 0 HA SER A 87 5.076 3.182 -6.308 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.239 0.488 -7.451 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.885 1.702 -8.665 1.00 0.00 H new ATOM 0 HG SER A 87 7.167 1.431 -8.333 1.00 0.00 H new ATOM 1344 N LEU A 88 2.297 1.926 -7.587 1.00 0.00 N ATOM 1345 CA LEU A 88 1.028 2.276 -8.203 1.00 0.00 C ATOM 1346 C LEU A 88 0.366 3.394 -7.395 1.00 0.00 C ATOM 1347 O LEU A 88 -0.140 4.360 -7.965 1.00 0.00 O ATOM 1348 CB LEU A 88 0.151 1.033 -8.368 1.00 0.00 C ATOM 1349 CG LEU A 88 -0.565 0.891 -9.712 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -1.520 2.062 -9.951 1.00 0.00 C ATOM 1351 CD2 LEU A 88 0.440 0.729 -10.854 1.00 0.00 C ATOM 0 H LEU A 88 2.426 0.929 -7.412 1.00 0.00 H new ATOM 0 HA LEU A 88 1.186 2.661 -9.210 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.773 0.151 -8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.599 1.035 -7.577 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.169 -0.016 -9.683 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.016 1.936 -10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.268 2.089 -9.158 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.958 2.996 -9.952 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.095 0.630 -11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.089 1.604 -10.895 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.043 -0.163 -10.684 1.00 0.00 H new ATOM 1363 N MET A 89 0.390 3.225 -6.081 1.00 0.00 N ATOM 1364 CA MET A 89 -0.202 4.208 -5.190 1.00 0.00 C ATOM 1365 C MET A 89 0.467 5.573 -5.356 1.00 0.00 C ATOM 1366 O MET A 89 -0.212 6.594 -5.458 1.00 0.00 O ATOM 1367 CB MET A 89 -0.052 3.739 -3.741 1.00 0.00 C ATOM 1368 CG MET A 89 -1.144 2.732 -3.375 1.00 0.00 C ATOM 1369 SD MET A 89 -1.291 2.608 -1.601 1.00 0.00 S ATOM 1370 CE MET A 89 -0.637 0.966 -1.349 1.00 0.00 C ATOM 0 H MET A 89 0.810 2.422 -5.612 1.00 0.00 H new ATOM 0 HA MET A 89 -1.258 4.309 -5.442 1.00 0.00 H new ATOM 0 HB2 MET A 89 0.929 3.284 -3.602 1.00 0.00 H new ATOM 0 HB3 MET A 89 -0.104 4.597 -3.070 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.096 3.043 -3.806 1.00 0.00 H new ATOM 0 HG3 MET A 89 -0.906 1.756 -3.797 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.275 0.872 -0.325 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.422 0.231 -1.526 1.00 0.00 H new ATOM 0 HE3 MET A 89 0.186 0.792 -2.042 1.00 0.00 H new ATOM 1380 N MET A 90 1.792 5.548 -5.379 1.00 0.00 N ATOM 1381 CA MET A 90 2.561 6.772 -5.531 1.00 0.00 C ATOM 1382 C MET A 90 2.119 7.546 -6.774 1.00 0.00 C ATOM 1383 O MET A 90 1.736 8.711 -6.681 1.00 0.00 O ATOM 1384 CB MET A 90 4.048 6.430 -5.645 1.00 0.00 C ATOM 1385 CG MET A 90 4.916 7.661 -5.380 1.00 0.00 C ATOM 1386 SD MET A 90 6.466 7.515 -6.254 1.00 0.00 S ATOM 1387 CE MET A 90 6.330 8.910 -7.360 1.00 0.00 C ATOM 0 H MET A 90 2.352 4.700 -5.295 1.00 0.00 H new ATOM 0 HA MET A 90 2.389 7.398 -4.655 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.299 5.643 -4.933 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.260 6.039 -6.640 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.392 8.561 -5.700 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.100 7.763 -4.311 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.129 8.867 -8.100 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.365 8.880 -7.866 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.413 9.836 -6.790 1.00 0.00 H new ATOM 1397 N ILE A 91 2.186 6.868 -7.910 1.00 0.00 N ATOM 1398 CA ILE A 91 1.797 7.477 -9.170 1.00 0.00 C ATOM 1399 C ILE A 91 0.402 8.089 -9.027 1.00 0.00 C ATOM 1400 O ILE A 91 0.204 9.266 -9.323 1.00 0.00 O ATOM 1401 CB ILE A 91 1.911 6.466 -10.313 1.00 0.00 C ATOM 1402 CG1 ILE A 91 3.344 5.946 -10.444 1.00 0.00 C ATOM 1403 CG2 ILE A 91 1.394 7.059 -11.624 1.00 0.00 C ATOM 1404 CD1 ILE A 91 4.347 7.101 -10.457 1.00 0.00 C ATOM 0 H ILE A 91 2.504 5.902 -7.984 1.00 0.00 H new ATOM 0 HA ILE A 91 2.477 8.289 -9.426 1.00 0.00 H new ATOM 0 HB ILE A 91 1.278 5.610 -10.076 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.568 5.274 -9.615 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.441 5.365 -11.361 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.487 6.319 -12.419 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.347 7.339 -11.509 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.979 7.942 -11.880 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.358 6.704 -10.551 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.135 7.757 -11.301 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.264 7.666 -9.528 1.00 0.00 H new ATOM 1416 N LEU A 92 -0.528 7.262 -8.574 1.00 0.00 N ATOM 1417 CA LEU A 92 -1.899 7.706 -8.388 1.00 0.00 C ATOM 1418 C LEU A 92 -1.912 8.935 -7.475 1.00 0.00 C ATOM 1419 O LEU A 92 -2.788 9.790 -7.593 1.00 0.00 O ATOM 1420 CB LEU A 92 -2.772 6.556 -7.883 1.00 0.00 C ATOM 1421 CG LEU A 92 -4.081 6.326 -8.640 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -3.997 5.072 -9.512 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -5.269 6.275 -7.677 1.00 0.00 C ATOM 0 H LEU A 92 -0.359 6.286 -8.330 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.334 8.010 -9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.187 5.637 -7.922 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.009 6.739 -6.835 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.243 7.172 -9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.941 4.932 -10.039 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.190 5.186 -10.236 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.800 4.204 -8.883 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -6.187 6.111 -8.241 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.128 5.460 -6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.339 7.219 -7.136 1.00 0.00 H new ATOM 1435 N ARG A 93 -0.931 8.983 -6.586 1.00 0.00 N ATOM 1436 CA ARG A 93 -0.820 10.092 -5.654 1.00 0.00 C ATOM 1437 C ARG A 93 -0.292 11.336 -6.371 1.00 0.00 C ATOM 1438 O ARG A 93 -0.642 12.459 -6.012 1.00 0.00 O ATOM 1439 CB ARG A 93 0.116 9.745 -4.494 1.00 0.00 C ATOM 1440 CG ARG A 93 -0.663 9.603 -3.185 1.00 0.00 C ATOM 1441 CD ARG A 93 -0.395 8.246 -2.531 1.00 0.00 C ATOM 1442 NE ARG A 93 -0.885 8.251 -1.135 1.00 0.00 N ATOM 1443 CZ ARG A 93 -2.162 8.045 -0.786 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -3.086 7.816 -1.729 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -2.516 8.068 0.506 1.00 0.00 N ATOM 0 H ARG A 93 -0.206 8.272 -6.491 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.815 10.292 -5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.641 8.815 -4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.873 10.522 -4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.380 10.403 -2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.730 9.713 -3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.891 7.457 -3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.673 8.029 -2.549 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.208 8.422 -0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.817 7.798 -2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.058 7.659 -1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.813 8.242 1.224 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.488 7.911 0.771 1.00 0.00 H new ATOM 1459 N LEU A 94 0.543 11.094 -7.371 1.00 0.00 N ATOM 1460 CA LEU A 94 1.123 12.181 -8.142 1.00 0.00 C ATOM 1461 C LEU A 94 0.004 13.092 -8.652 1.00 0.00 C ATOM 1462 O LEU A 94 -0.165 14.208 -8.162 1.00 0.00 O ATOM 1463 CB LEU A 94 2.022 11.632 -9.251 1.00 0.00 C ATOM 1464 CG LEU A 94 2.998 12.630 -9.879 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.389 12.013 -10.034 1.00 0.00 C ATOM 1466 CD2 LEU A 94 2.456 13.164 -11.207 1.00 0.00 C ATOM 0 H LEU A 94 0.832 10.161 -7.665 1.00 0.00 H new ATOM 0 HA LEU A 94 1.770 12.791 -7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.596 10.798 -8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.387 11.229 -10.040 1.00 0.00 H new ATOM 0 HG LEU A 94 3.097 13.481 -9.206 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.063 12.743 -10.482 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.769 11.722 -9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.328 11.134 -10.675 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.168 13.871 -11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.309 12.335 -11.900 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.504 13.667 -11.036 1.00 0.00 H new ATOM 1478 N VAL A 95 -0.731 12.583 -9.630 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.828 13.336 -10.211 1.00 0.00 C ATOM 1480 C VAL A 95 -2.677 13.941 -9.091 1.00 0.00 C ATOM 1481 O VAL A 95 -3.085 15.098 -9.172 1.00 0.00 O ATOM 1482 CB VAL A 95 -2.634 12.442 -11.156 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -3.822 13.202 -11.750 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -1.744 11.867 -12.259 1.00 0.00 C ATOM 0 H VAL A 95 -0.588 11.658 -10.034 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.447 14.162 -10.812 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.027 11.608 -10.574 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.378 12.544 -12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.476 13.540 -10.946 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.459 14.064 -12.310 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.342 11.236 -12.916 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.308 12.682 -12.837 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.947 11.273 -11.811 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.917 13.130 -8.071 1.00 0.00 N ATOM 1495 CA LEU A 96 -3.710 13.570 -6.935 1.00 0.00 C ATOM 1496 C LEU A 96 -3.305 14.997 -6.559 1.00 0.00 C ATOM 1497 O LEU A 96 -4.153 15.811 -6.197 1.00 0.00 O ATOM 1498 CB LEU A 96 -3.592 12.573 -5.781 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.909 12.122 -5.147 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.203 10.657 -5.476 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -4.910 12.383 -3.639 1.00 0.00 C ATOM 0 H LEU A 96 -2.576 12.171 -8.007 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.768 13.596 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.065 11.690 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.972 13.019 -5.004 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.716 12.716 -5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.145 10.362 -5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.276 10.534 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.398 10.029 -5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.858 12.053 -3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.092 11.833 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.781 13.449 -3.454 1.00 0.00 H new ATOM 1513 N LEU A 97 -2.010 15.257 -6.659 1.00 0.00 N ATOM 1514 CA LEU A 97 -1.483 16.571 -6.334 1.00 0.00 C ATOM 1515 C LEU A 97 -2.366 17.643 -6.976 1.00 0.00 C ATOM 1516 O LEU A 97 -2.768 18.599 -6.315 1.00 0.00 O ATOM 1517 CB LEU A 97 -0.009 16.670 -6.731 1.00 0.00 C ATOM 1518 CG LEU A 97 0.786 17.806 -6.082 1.00 0.00 C ATOM 1519 CD1 LEU A 97 2.245 17.400 -5.865 1.00 0.00 C ATOM 1520 CD2 LEU A 97 0.664 19.095 -6.896 1.00 0.00 C ATOM 0 H LEU A 97 -1.310 14.579 -6.961 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.511 16.737 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.477 15.726 -6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.048 16.785 -7.813 1.00 0.00 H new ATOM 0 HG LEU A 97 0.358 18.005 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.787 18.225 -5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.287 16.528 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.702 17.158 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.238 19.886 -6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.050 18.928 -7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.383 19.391 -6.954 1.00 0.00 H new ATOM 1532 N LEU A 98 -2.643 17.447 -8.257 1.00 0.00 N ATOM 1533 CA LEU A 98 -3.471 18.385 -8.995 1.00 0.00 C ATOM 1534 C LEU A 98 -4.913 18.291 -8.493 1.00 0.00 C ATOM 1535 O LEU A 98 -5.592 19.307 -8.350 1.00 0.00 O ATOM 1536 CB LEU A 98 -3.328 18.156 -10.501 1.00 0.00 C ATOM 1537 CG LEU A 98 -3.313 19.413 -11.373 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -4.622 20.192 -11.235 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -2.093 20.282 -11.060 1.00 0.00 C ATOM 0 H LEU A 98 -2.309 16.652 -8.802 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.138 19.408 -8.818 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.405 17.604 -10.678 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.149 17.519 -10.831 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.231 19.105 -12.415 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.585 21.081 -11.865 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.455 19.562 -11.546 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.760 20.490 -10.196 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.106 21.169 -11.693 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.120 20.583 -10.013 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.183 19.713 -11.251 1.00 0.00 H new ATOM 1551 N LEU A 99 -5.338 17.062 -8.239 1.00 0.00 N ATOM 1552 CA LEU A 99 -6.687 16.822 -7.756 1.00 0.00 C ATOM 1553 C LEU A 99 -6.949 17.701 -6.531 1.00 0.00 C ATOM 1554 O LEU A 99 -6.195 17.661 -5.561 1.00 0.00 O ATOM 1555 CB LEU A 99 -6.907 15.330 -7.500 1.00 0.00 C ATOM 1556 CG LEU A 99 -8.364 14.867 -7.442 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -8.496 13.413 -7.901 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -8.952 15.082 -6.046 1.00 0.00 C ATOM 0 H LEU A 99 -4.772 16.222 -8.359 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.419 17.103 -8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.399 14.768 -8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.426 15.068 -6.558 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.944 15.477 -8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.541 13.109 -7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.141 13.322 -8.928 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.900 12.771 -7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.988 14.745 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.375 14.513 -5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.912 16.142 -5.793 1.00 0.00 H new