USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 837 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 42 SER OG : rot 180:sc= -0.519 USER MOD Set 1.2: A 80 SER OG : rot 140:sc= -0.102 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 51:sc= 0.29 USER MOD Single : A 20 GLN : amide:sc= -0.055 X(o=-0.055,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0432 USER MOD Single : A 26 THR OG1 : rot -42:sc= 0.984 USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.0322 (180deg=-0.222) USER MOD Single : A 57 MET CE :methyl 162:sc= -0.0776 (180deg=-0.541) USER MOD Single : A 67 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.42) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.32 F(o=-3.2!,f=-1.3) USER MOD Single : A 79 GLN : amide:sc= 0.666 K(o=0.67,f=-4.6!) USER MOD Single : A 88 ASN : amide:sc= -0.0497 X(o=-0.05,f=-0.32) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0367 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.683 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS :FLIP no HE2:sc= -0.0142 F(o=-0.78,f=-0.014) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl 160:sc= -0.169 (180deg=-0.777) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 15.155 1.971 6.332 1.00 0.00 N ATOM 126 CA LEU A 10 13.758 1.579 6.455 1.00 0.00 C ATOM 127 C LEU A 10 13.319 0.755 5.249 1.00 0.00 C ATOM 128 O LEU A 10 12.451 -0.111 5.360 1.00 0.00 O ATOM 129 CB LEU A 10 12.855 2.811 6.606 1.00 0.00 C ATOM 130 CG LEU A 10 12.933 3.546 7.952 1.00 0.00 C ATOM 131 CD1 LEU A 10 12.753 2.572 9.109 1.00 0.00 C ATOM 132 CD2 LEU A 10 14.241 4.315 8.090 1.00 0.00 C ATOM 0 HA LEU A 10 13.662 0.966 7.351 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.104 3.518 5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.823 2.501 6.444 1.00 0.00 H new ATOM 0 HG LEU A 10 12.119 4.270 7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 10 12.812 3.114 10.053 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.780 2.087 9.029 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.538 1.817 9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.264 4.824 9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 10 15.079 3.621 8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.317 5.051 7.289 1.00 0.00 H new ATOM 144 N TRP A 11 13.945 1.010 4.105 1.00 0.00 N ATOM 145 CA TRP A 11 13.630 0.285 2.879 1.00 0.00 C ATOM 146 C TRP A 11 13.951 -1.199 3.040 1.00 0.00 C ATOM 147 O TRP A 11 13.233 -2.060 2.534 1.00 0.00 O ATOM 148 CB TRP A 11 14.413 0.859 1.698 1.00 0.00 C ATOM 149 CG TRP A 11 13.552 1.484 0.643 1.00 0.00 C ATOM 150 CD1 TRP A 11 13.497 2.804 0.305 1.00 0.00 C ATOM 151 CD2 TRP A 11 12.621 0.812 -0.210 1.00 0.00 C ATOM 152 NE1 TRP A 11 12.597 2.992 -0.717 1.00 0.00 N ATOM 153 CE2 TRP A 11 12.044 1.784 -1.049 1.00 0.00 C ATOM 154 CE3 TRP A 11 12.219 -0.517 -0.349 1.00 0.00 C ATOM 155 CZ2 TRP A 11 11.092 1.465 -2.012 1.00 0.00 C ATOM 156 CZ3 TRP A 11 11.272 -0.830 -1.303 1.00 0.00 C ATOM 157 CH2 TRP A 11 10.720 0.158 -2.125 1.00 0.00 C ATOM 0 H TRP A 11 14.675 1.715 4.001 1.00 0.00 H new ATOM 0 HA TRP A 11 12.564 0.398 2.682 1.00 0.00 H new ATOM 0 HB2 TRP A 11 15.115 1.606 2.069 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.004 0.063 1.246 1.00 0.00 H new ATOM 0 HD1 TRP A 11 14.076 3.587 0.772 1.00 0.00 H new ATOM 0 HE1 TRP A 11 12.377 3.886 -1.156 1.00 0.00 H new ATOM 0 HE3 TRP A 11 12.642 -1.287 0.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.663 2.226 -2.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 10.952 -1.855 -1.417 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.984 -0.120 -2.865 1.00 0.00 H new ATOM 168 N GLN A 12 15.025 -1.486 3.769 1.00 0.00 N ATOM 169 CA GLN A 12 15.434 -2.854 4.035 1.00 0.00 C ATOM 170 C GLN A 12 14.343 -3.594 4.809 1.00 0.00 C ATOM 171 O GLN A 12 14.074 -4.773 4.566 1.00 0.00 O ATOM 172 CB GLN A 12 16.741 -2.851 4.826 1.00 0.00 C ATOM 173 CG GLN A 12 17.852 -2.046 4.169 1.00 0.00 C ATOM 174 CD GLN A 12 19.118 -2.009 5.004 1.00 0.00 C ATOM 175 OE1 GLN A 12 19.289 -1.137 5.858 1.00 0.00 O ATOM 176 NE2 GLN A 12 20.020 -2.944 4.757 1.00 0.00 N ATOM 0 H GLN A 12 15.630 -0.780 4.188 1.00 0.00 H new ATOM 0 HA GLN A 12 15.591 -3.371 3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 12 16.552 -2.448 5.821 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.078 -3.879 4.957 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.078 -2.475 3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.505 -1.027 3.997 1.00 0.00 H new ATOM 0 HE21 GLN A 12 19.841 -3.649 4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 12 20.894 -2.960 5.282 1.00 0.00 H new ATOM 185 N ARG A 13 13.698 -2.884 5.728 1.00 0.00 N ATOM 186 CA ARG A 13 12.621 -3.459 6.520 1.00 0.00 C ATOM 187 C ARG A 13 11.357 -3.636 5.691 1.00 0.00 C ATOM 188 O ARG A 13 10.554 -4.532 5.956 1.00 0.00 O ATOM 189 CB ARG A 13 12.341 -2.607 7.756 1.00 0.00 C ATOM 190 CG ARG A 13 13.403 -2.763 8.830 1.00 0.00 C ATOM 191 CD ARG A 13 13.546 -4.222 9.228 1.00 0.00 C ATOM 192 NE ARG A 13 14.642 -4.444 10.166 1.00 0.00 N ATOM 193 CZ ARG A 13 15.292 -5.602 10.275 1.00 0.00 C ATOM 194 NH1 ARG A 13 15.010 -6.608 9.453 1.00 0.00 N ATOM 195 NH2 ARG A 13 16.238 -5.755 11.189 1.00 0.00 N ATOM 0 H ARG A 13 13.904 -1.908 5.942 1.00 0.00 H new ATOM 0 HA ARG A 13 12.944 -4.446 6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.278 -1.559 7.463 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.370 -2.881 8.169 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.357 -2.384 8.464 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.137 -2.166 9.702 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.614 -4.565 9.677 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.710 -4.824 8.334 1.00 0.00 H new ATOM 0 HE ARG A 13 14.925 -3.672 10.770 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.294 -6.495 8.736 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.510 -7.493 9.540 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.472 -4.984 11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.732 -6.644 11.268 1.00 0.00 H new ATOM 209 N LEU A 14 11.188 -2.791 4.683 1.00 0.00 N ATOM 210 CA LEU A 14 10.068 -2.933 3.764 1.00 0.00 C ATOM 211 C LEU A 14 10.157 -4.275 3.047 1.00 0.00 C ATOM 212 O LEU A 14 9.185 -5.031 2.996 1.00 0.00 O ATOM 213 CB LEU A 14 10.042 -1.785 2.752 1.00 0.00 C ATOM 214 CG LEU A 14 9.849 -0.388 3.354 1.00 0.00 C ATOM 215 CD1 LEU A 14 9.790 0.664 2.260 1.00 0.00 C ATOM 216 CD2 LEU A 14 8.590 -0.340 4.209 1.00 0.00 C ATOM 0 H LEU A 14 11.807 -2.006 4.482 1.00 0.00 H new ATOM 0 HA LEU A 14 9.141 -2.895 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.976 -1.795 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.239 -1.969 2.038 1.00 0.00 H new ATOM 0 HG LEU A 14 10.706 -0.172 3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.653 1.648 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.720 0.651 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.955 0.449 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.472 0.660 4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.723 -0.581 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.673 -1.064 5.019 1.00 0.00 H new ATOM 228 N LEU A 15 11.339 -4.585 2.520 1.00 0.00 N ATOM 229 CA LEU A 15 11.579 -5.881 1.891 1.00 0.00 C ATOM 230 C LEU A 15 11.437 -7.010 2.906 1.00 0.00 C ATOM 231 O LEU A 15 11.035 -8.120 2.556 1.00 0.00 O ATOM 232 CB LEU A 15 12.968 -5.939 1.244 1.00 0.00 C ATOM 233 CG LEU A 15 13.065 -5.353 -0.169 1.00 0.00 C ATOM 234 CD1 LEU A 15 12.811 -3.858 -0.164 1.00 0.00 C ATOM 235 CD2 LEU A 15 14.423 -5.660 -0.777 1.00 0.00 C ATOM 0 H LEU A 15 12.144 -3.958 2.516 1.00 0.00 H new ATOM 0 HA LEU A 15 10.829 -6.007 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 15 13.671 -5.409 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 15 13.290 -6.980 1.209 1.00 0.00 H new ATOM 0 HG LEU A 15 12.293 -5.820 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.887 -3.473 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.812 -3.660 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.551 -3.365 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.476 -5.237 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.206 -5.223 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.562 -6.740 -0.830 1.00 0.00 H new ATOM 247 N THR A 16 11.761 -6.717 4.164 1.00 0.00 N ATOM 248 CA THR A 16 11.614 -7.692 5.237 1.00 0.00 C ATOM 249 C THR A 16 10.157 -8.148 5.348 1.00 0.00 C ATOM 250 O THR A 16 9.876 -9.348 5.365 1.00 0.00 O ATOM 251 CB THR A 16 12.079 -7.119 6.595 1.00 0.00 C ATOM 252 OG1 THR A 16 13.439 -6.667 6.507 1.00 0.00 O ATOM 253 CG2 THR A 16 11.964 -8.162 7.700 1.00 0.00 C ATOM 0 H THR A 16 12.126 -5.813 4.463 1.00 0.00 H new ATOM 0 HA THR A 16 12.246 -8.545 4.990 1.00 0.00 H new ATOM 0 HB THR A 16 11.430 -6.278 6.839 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.536 -6.070 5.736 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.298 -7.731 8.644 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.926 -8.480 7.794 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.586 -9.023 7.454 1.00 0.00 H new ATOM 261 N ARG A 17 9.235 -7.189 5.396 1.00 0.00 N ATOM 262 CA ARG A 17 7.813 -7.507 5.487 1.00 0.00 C ATOM 263 C ARG A 17 7.315 -8.116 4.179 1.00 0.00 C ATOM 264 O ARG A 17 6.596 -9.114 4.182 1.00 0.00 O ATOM 265 CB ARG A 17 6.987 -6.261 5.829 1.00 0.00 C ATOM 266 CG ARG A 17 7.295 -5.664 7.192 1.00 0.00 C ATOM 267 CD ARG A 17 6.261 -4.617 7.585 1.00 0.00 C ATOM 268 NE ARG A 17 6.598 -3.948 8.842 1.00 0.00 N ATOM 269 CZ ARG A 17 5.699 -3.490 9.719 1.00 0.00 C ATOM 270 NH1 ARG A 17 4.407 -3.741 9.551 1.00 0.00 N ATOM 271 NH2 ARG A 17 6.098 -2.806 10.784 1.00 0.00 N ATOM 0 H ARG A 17 9.446 -6.191 5.374 1.00 0.00 H new ATOM 0 HA ARG A 17 7.687 -8.234 6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.161 -5.503 5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.929 -6.518 5.788 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.317 -6.455 7.941 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.286 -5.211 7.177 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.179 -3.874 6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.284 -5.092 7.679 1.00 0.00 H new ATOM 0 HE ARG A 17 7.586 -3.823 9.064 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.094 -4.287 8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.727 -3.388 10.225 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.091 -2.629 10.934 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.411 -2.457 11.453 1.00 0.00 H new ATOM 285 N GLY A 18 7.705 -7.515 3.063 1.00 0.00 N ATOM 286 CA GLY A 18 7.312 -8.041 1.769 1.00 0.00 C ATOM 287 C GLY A 18 6.900 -6.955 0.800 1.00 0.00 C ATOM 288 O GLY A 18 5.961 -7.130 0.027 1.00 0.00 O ATOM 0 H GLY A 18 8.284 -6.676 3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.141 -8.607 1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.485 -8.738 1.901 1.00 0.00 H new ATOM 292 N TRP A 19 7.602 -5.831 0.844 1.00 0.00 N ATOM 293 CA TRP A 19 7.322 -4.716 -0.049 1.00 0.00 C ATOM 294 C TRP A 19 8.192 -4.807 -1.293 1.00 0.00 C ATOM 295 O TRP A 19 9.416 -4.903 -1.203 1.00 0.00 O ATOM 296 CB TRP A 19 7.558 -3.383 0.664 1.00 0.00 C ATOM 297 CG TRP A 19 6.586 -3.111 1.777 1.00 0.00 C ATOM 298 CD1 TRP A 19 6.218 -3.963 2.781 1.00 0.00 C ATOM 299 CD2 TRP A 19 5.870 -1.893 2.007 1.00 0.00 C ATOM 300 NE1 TRP A 19 5.308 -3.353 3.608 1.00 0.00 N ATOM 301 CE2 TRP A 19 5.082 -2.081 3.156 1.00 0.00 C ATOM 302 CE3 TRP A 19 5.819 -0.664 1.350 1.00 0.00 C ATOM 303 CZ2 TRP A 19 4.253 -1.084 3.660 1.00 0.00 C ATOM 304 CZ3 TRP A 19 4.998 0.325 1.850 1.00 0.00 C ATOM 305 CH2 TRP A 19 4.225 0.111 2.997 1.00 0.00 C ATOM 0 H TRP A 19 8.373 -5.667 1.492 1.00 0.00 H new ATOM 0 HA TRP A 19 6.275 -4.768 -0.347 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.571 -3.372 1.067 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.496 -2.575 -0.065 1.00 0.00 H new ATOM 0 HD1 TRP A 19 6.589 -4.970 2.905 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.871 -3.778 4.426 1.00 0.00 H new ATOM 0 HE3 TRP A 19 6.412 -0.490 0.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.653 -1.248 4.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.951 1.280 1.348 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.594 0.906 3.366 1.00 0.00 H new ATOM 316 N GLN A 20 7.548 -4.805 -2.444 1.00 0.00 N ATOM 317 CA GLN A 20 8.228 -4.927 -3.713 1.00 0.00 C ATOM 318 C GLN A 20 8.280 -3.582 -4.432 1.00 0.00 C ATOM 319 O GLN A 20 7.241 -2.985 -4.717 1.00 0.00 O ATOM 320 CB GLN A 20 7.480 -5.946 -4.567 1.00 0.00 C ATOM 321 CG GLN A 20 7.349 -7.310 -3.910 1.00 0.00 C ATOM 322 CD GLN A 20 8.673 -8.041 -3.814 1.00 0.00 C ATOM 323 OE1 GLN A 20 9.031 -8.799 -4.710 1.00 0.00 O ATOM 324 NE2 GLN A 20 9.417 -7.810 -2.743 1.00 0.00 N ATOM 0 H GLN A 20 6.535 -4.718 -2.523 1.00 0.00 H new ATOM 0 HA GLN A 20 9.253 -5.256 -3.544 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.484 -5.561 -4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.997 -6.059 -5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.932 -7.189 -2.910 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.644 -7.917 -4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.085 -7.173 -2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.322 -8.269 -2.642 1.00 0.00 H new ATOM 333 N PRO A 21 9.489 -3.070 -4.712 1.00 0.00 N ATOM 334 CA PRO A 21 9.663 -1.841 -5.487 1.00 0.00 C ATOM 335 C PRO A 21 9.250 -2.037 -6.938 1.00 0.00 C ATOM 336 O PRO A 21 9.936 -2.716 -7.708 1.00 0.00 O ATOM 337 CB PRO A 21 11.165 -1.545 -5.388 1.00 0.00 C ATOM 338 CG PRO A 21 11.656 -2.404 -4.275 1.00 0.00 C ATOM 339 CD PRO A 21 10.778 -3.622 -4.279 1.00 0.00 C ATOM 0 HA PRO A 21 9.045 -1.026 -5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.676 -1.780 -6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.346 -0.490 -5.182 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.701 -2.675 -4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.594 -1.881 -3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.145 -4.387 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.714 -4.082 -3.293 1.00 0.00 H new ATOM 347 N VAL A 22 8.119 -1.456 -7.300 1.00 0.00 N ATOM 348 CA VAL A 22 7.574 -1.621 -8.636 1.00 0.00 C ATOM 349 C VAL A 22 7.862 -0.413 -9.510 1.00 0.00 C ATOM 350 O VAL A 22 8.396 0.595 -9.046 1.00 0.00 O ATOM 351 CB VAL A 22 6.056 -1.885 -8.612 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.770 -3.274 -8.058 1.00 0.00 C ATOM 353 CG2 VAL A 22 5.334 -0.817 -7.800 1.00 0.00 C ATOM 0 H VAL A 22 7.559 -0.865 -6.686 1.00 0.00 H new ATOM 0 HA VAL A 22 8.071 -2.493 -9.061 1.00 0.00 H new ATOM 0 HB VAL A 22 5.681 -1.839 -9.634 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.694 -3.447 -8.047 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.251 -4.023 -8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.160 -3.348 -7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.264 -1.024 -7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.708 -0.824 -6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.513 0.162 -8.245 1.00 0.00 H new ATOM 363 N GLU A 23 7.481 -0.522 -10.772 1.00 0.00 N ATOM 364 CA GLU A 23 7.796 0.490 -11.768 1.00 0.00 C ATOM 365 C GLU A 23 6.654 0.598 -12.762 1.00 0.00 C ATOM 366 O GLU A 23 5.851 -0.324 -12.892 1.00 0.00 O ATOM 367 CB GLU A 23 9.078 0.133 -12.530 1.00 0.00 C ATOM 368 CG GLU A 23 10.310 -0.020 -11.652 1.00 0.00 C ATOM 369 CD GLU A 23 11.552 -0.370 -12.446 1.00 0.00 C ATOM 370 OE1 GLU A 23 12.221 0.558 -12.946 1.00 0.00 O ATOM 371 OE2 GLU A 23 11.869 -1.572 -12.573 1.00 0.00 O ATOM 0 H GLU A 23 6.946 -1.311 -11.135 1.00 0.00 H new ATOM 0 HA GLU A 23 7.943 1.438 -11.251 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.916 -0.798 -13.073 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.271 0.906 -13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.481 0.909 -11.108 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.128 -0.796 -10.909 1.00 0.00 H new ATOM 378 N ALA A 24 6.601 1.703 -13.483 1.00 0.00 N ATOM 379 CA ALA A 24 5.559 1.910 -14.481 1.00 0.00 C ATOM 380 C ALA A 24 5.816 1.056 -15.716 1.00 0.00 C ATOM 381 O ALA A 24 4.913 0.802 -16.512 1.00 0.00 O ATOM 382 CB ALA A 24 5.473 3.378 -14.863 1.00 0.00 C ATOM 0 H ALA A 24 7.265 2.472 -13.399 1.00 0.00 H new ATOM 0 HA ALA A 24 4.607 1.606 -14.046 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.690 3.515 -15.609 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.239 3.971 -13.979 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.428 3.703 -15.276 1.00 0.00 H new ATOM 388 N SER A 25 7.051 0.600 -15.853 1.00 0.00 N ATOM 389 CA SER A 25 7.454 -0.199 -16.995 1.00 0.00 C ATOM 390 C SER A 25 7.069 -1.670 -16.817 1.00 0.00 C ATOM 391 O SER A 25 7.010 -2.429 -17.784 1.00 0.00 O ATOM 392 CB SER A 25 8.965 -0.066 -17.195 1.00 0.00 C ATOM 393 OG SER A 25 9.652 -0.231 -15.961 1.00 0.00 O ATOM 0 H SER A 25 7.797 0.773 -15.179 1.00 0.00 H new ATOM 0 HA SER A 25 6.931 0.170 -17.877 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.309 -0.812 -17.911 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.196 0.912 -17.618 1.00 0.00 H new ATOM 0 HG SER A 25 10.617 -0.144 -16.110 1.00 0.00 H new ATOM 399 N THR A 26 6.800 -2.069 -15.581 1.00 0.00 N ATOM 400 CA THR A 26 6.495 -3.461 -15.294 1.00 0.00 C ATOM 401 C THR A 26 5.233 -3.587 -14.443 1.00 0.00 C ATOM 402 O THR A 26 4.930 -4.660 -13.919 1.00 0.00 O ATOM 403 CB THR A 26 7.684 -4.151 -14.584 1.00 0.00 C ATOM 404 OG1 THR A 26 7.406 -5.544 -14.377 1.00 0.00 O ATOM 405 CG2 THR A 26 7.989 -3.488 -13.247 1.00 0.00 C ATOM 0 H THR A 26 6.787 -1.453 -14.768 1.00 0.00 H new ATOM 0 HA THR A 26 6.318 -3.960 -16.247 1.00 0.00 H new ATOM 0 HB THR A 26 8.557 -4.049 -15.229 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.480 -5.651 -14.076 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.829 -3.995 -12.773 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.243 -2.441 -13.410 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.114 -3.553 -12.601 1.00 0.00 H new ATOM 413 N VAL A 27 4.485 -2.495 -14.329 1.00 0.00 N ATOM 414 CA VAL A 27 3.285 -2.482 -13.499 1.00 0.00 C ATOM 415 C VAL A 27 2.222 -3.438 -14.053 1.00 0.00 C ATOM 416 O VAL A 27 1.554 -4.141 -13.294 1.00 0.00 O ATOM 417 CB VAL A 27 2.707 -1.049 -13.356 1.00 0.00 C ATOM 418 CG1 VAL A 27 2.362 -0.450 -14.707 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.487 -1.045 -12.437 1.00 0.00 C ATOM 0 H VAL A 27 4.686 -1.612 -14.798 1.00 0.00 H new ATOM 0 HA VAL A 27 3.573 -2.827 -12.506 1.00 0.00 H new ATOM 0 HB VAL A 27 3.480 -0.427 -12.906 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.960 0.554 -14.568 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.260 -0.399 -15.323 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.618 -1.074 -15.202 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.099 -0.030 -12.352 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.716 -1.694 -12.852 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.774 -1.408 -11.450 1.00 0.00 H new ATOM 429 N ASP A 28 2.098 -3.486 -15.377 1.00 0.00 N ATOM 430 CA ASP A 28 1.127 -4.361 -16.029 1.00 0.00 C ATOM 431 C ASP A 28 1.464 -5.823 -15.764 1.00 0.00 C ATOM 432 O ASP A 28 0.611 -6.608 -15.343 1.00 0.00 O ATOM 433 CB ASP A 28 1.109 -4.111 -17.540 1.00 0.00 C ATOM 434 CG ASP A 28 0.838 -2.664 -17.898 1.00 0.00 C ATOM 435 OD1 ASP A 28 1.782 -1.848 -17.843 1.00 0.00 O ATOM 436 OD2 ASP A 28 -0.311 -2.331 -18.250 1.00 0.00 O ATOM 0 H ASP A 28 2.659 -2.928 -16.021 1.00 0.00 H new ATOM 0 HA ASP A 28 0.143 -4.139 -15.617 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.068 -4.411 -17.964 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.347 -4.742 -17.998 1.00 0.00 H new ATOM 441 N ASP A 29 2.724 -6.176 -15.998 1.00 0.00 N ATOM 442 CA ASP A 29 3.181 -7.552 -15.853 1.00 0.00 C ATOM 443 C ASP A 29 3.111 -8.016 -14.407 1.00 0.00 C ATOM 444 O ASP A 29 2.693 -9.141 -14.132 1.00 0.00 O ATOM 445 CB ASP A 29 4.614 -7.699 -16.356 1.00 0.00 C ATOM 446 CG ASP A 29 5.081 -9.140 -16.331 1.00 0.00 C ATOM 447 OD1 ASP A 29 4.867 -9.846 -17.336 1.00 0.00 O ATOM 448 OD2 ASP A 29 5.682 -9.570 -15.321 1.00 0.00 O ATOM 0 H ASP A 29 3.450 -5.523 -16.291 1.00 0.00 H new ATOM 0 HA ASP A 29 2.516 -8.175 -16.452 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.682 -7.314 -17.373 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.278 -7.092 -15.740 1.00 0.00 H new ATOM 453 N TRP A 30 3.515 -7.146 -13.488 1.00 0.00 N ATOM 454 CA TRP A 30 3.553 -7.499 -12.079 1.00 0.00 C ATOM 455 C TRP A 30 2.160 -7.871 -11.587 1.00 0.00 C ATOM 456 O TRP A 30 1.977 -8.904 -10.941 1.00 0.00 O ATOM 457 CB TRP A 30 4.125 -6.346 -11.245 1.00 0.00 C ATOM 458 CG TRP A 30 4.456 -6.752 -9.839 1.00 0.00 C ATOM 459 CD1 TRP A 30 5.582 -7.401 -9.419 1.00 0.00 C ATOM 460 CD2 TRP A 30 3.654 -6.544 -8.670 1.00 0.00 C ATOM 461 NE1 TRP A 30 5.527 -7.612 -8.064 1.00 0.00 N ATOM 462 CE2 TRP A 30 4.355 -7.094 -7.580 1.00 0.00 C ATOM 463 CE3 TRP A 30 2.411 -5.945 -8.437 1.00 0.00 C ATOM 464 CZ2 TRP A 30 3.855 -7.064 -6.281 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.915 -5.918 -7.147 1.00 0.00 C ATOM 466 CH2 TRP A 30 2.635 -6.474 -6.083 1.00 0.00 C ATOM 0 H TRP A 30 3.819 -6.195 -13.695 1.00 0.00 H new ATOM 0 HA TRP A 30 4.207 -8.363 -11.960 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.024 -5.965 -11.729 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.405 -5.528 -11.222 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.397 -7.704 -10.060 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.243 -8.079 -7.507 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.849 -5.511 -9.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.410 -7.491 -5.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.956 -5.460 -6.957 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.220 -6.437 -5.086 1.00 0.00 H new ATOM 477 N ILE A 31 1.178 -7.039 -11.923 1.00 0.00 N ATOM 478 CA ILE A 31 -0.209 -7.300 -11.553 1.00 0.00 C ATOM 479 C ILE A 31 -0.698 -8.595 -12.190 1.00 0.00 C ATOM 480 O ILE A 31 -1.388 -9.389 -11.552 1.00 0.00 O ATOM 481 CB ILE A 31 -1.135 -6.133 -11.967 1.00 0.00 C ATOM 482 CG1 ILE A 31 -0.785 -4.876 -11.166 1.00 0.00 C ATOM 483 CG2 ILE A 31 -2.603 -6.498 -11.773 1.00 0.00 C ATOM 484 CD1 ILE A 31 -0.874 -5.079 -9.668 1.00 0.00 C ATOM 0 H ILE A 31 1.318 -6.178 -12.451 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.245 -7.397 -10.468 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.979 -5.933 -13.027 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.225 -4.558 -11.424 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.457 -4.069 -11.457 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.229 -5.658 -12.073 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.846 -7.367 -12.384 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.785 -6.730 -10.724 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.614 -4.151 -9.159 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.890 -5.368 -9.400 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.182 -5.865 -9.366 1.00 0.00 H new ATOM 496 N LYS A 32 -0.315 -8.806 -13.442 1.00 0.00 N ATOM 497 CA LYS A 32 -0.677 -10.020 -14.166 1.00 0.00 C ATOM 498 C LYS A 32 -0.159 -11.252 -13.426 1.00 0.00 C ATOM 499 O LYS A 32 -0.861 -12.251 -13.293 1.00 0.00 O ATOM 500 CB LYS A 32 -0.099 -9.964 -15.592 1.00 0.00 C ATOM 501 CG LYS A 32 -0.642 -11.022 -16.556 1.00 0.00 C ATOM 502 CD LYS A 32 -0.061 -12.412 -16.310 1.00 0.00 C ATOM 503 CE LYS A 32 1.434 -12.469 -16.593 1.00 0.00 C ATOM 504 NZ LYS A 32 1.755 -12.157 -18.013 1.00 0.00 N ATOM 0 H LYS A 32 0.249 -8.149 -13.981 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.763 -10.090 -14.227 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.299 -8.977 -16.010 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.984 -10.071 -15.533 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.727 -11.067 -16.463 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.422 -10.719 -17.580 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.245 -12.703 -15.276 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.576 -13.136 -16.941 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.951 -11.763 -15.943 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.810 -13.462 -16.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.742 -12.419 -18.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.121 -12.694 -18.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.627 -11.139 -18.182 1.00 0.00 H new ATOM 518 N ARG A 33 1.072 -11.162 -12.936 1.00 0.00 N ATOM 519 CA ARG A 33 1.725 -12.297 -12.296 1.00 0.00 C ATOM 520 C ARG A 33 1.152 -12.563 -10.912 1.00 0.00 C ATOM 521 O ARG A 33 0.835 -13.699 -10.567 1.00 0.00 O ATOM 522 CB ARG A 33 3.219 -12.022 -12.150 1.00 0.00 C ATOM 523 CG ARG A 33 4.049 -13.275 -11.921 1.00 0.00 C ATOM 524 CD ARG A 33 5.044 -13.095 -10.785 1.00 0.00 C ATOM 525 NE ARG A 33 5.977 -11.994 -11.026 1.00 0.00 N ATOM 526 CZ ARG A 33 6.972 -11.663 -10.201 1.00 0.00 C ATOM 527 NH1 ARG A 33 7.168 -12.345 -9.073 1.00 0.00 N ATOM 528 NH2 ARG A 33 7.767 -10.648 -10.505 1.00 0.00 N ATOM 0 H ARG A 33 1.638 -10.314 -12.970 1.00 0.00 H new ATOM 0 HA ARG A 33 1.553 -13.170 -12.926 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.577 -11.518 -13.048 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.374 -11.336 -11.317 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.388 -14.112 -11.696 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.584 -13.528 -12.836 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.502 -12.911 -9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.605 -14.019 -10.648 1.00 0.00 H new ATOM 0 HE ARG A 33 5.859 -11.445 -11.878 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.555 -13.125 -8.836 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.931 -12.087 -8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.617 -10.123 -11.367 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.529 -10.391 -9.877 1.00 0.00 H new ATOM 542 N VAL A 34 1.013 -11.506 -10.129 1.00 0.00 N ATOM 543 CA VAL A 34 0.586 -11.648 -8.739 1.00 0.00 C ATOM 544 C VAL A 34 -0.918 -11.866 -8.623 1.00 0.00 C ATOM 545 O VAL A 34 -1.380 -12.623 -7.766 1.00 0.00 O ATOM 546 CB VAL A 34 1.005 -10.438 -7.868 1.00 0.00 C ATOM 547 CG1 VAL A 34 2.517 -10.281 -7.861 1.00 0.00 C ATOM 548 CG2 VAL A 34 0.337 -9.151 -8.330 1.00 0.00 C ATOM 0 H VAL A 34 1.187 -10.546 -10.425 1.00 0.00 H new ATOM 0 HA VAL A 34 1.097 -12.534 -8.362 1.00 0.00 H new ATOM 0 HB VAL A 34 0.668 -10.636 -6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.791 -9.426 -7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.975 -11.183 -7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.871 -10.122 -8.880 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.657 -8.326 -7.693 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.621 -8.944 -9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.746 -9.260 -8.266 1.00 0.00 H new ATOM 558 N GLY A 35 -1.676 -11.198 -9.478 1.00 0.00 N ATOM 559 CA GLY A 35 -3.120 -11.288 -9.434 1.00 0.00 C ATOM 560 C GLY A 35 -3.705 -10.322 -8.429 1.00 0.00 C ATOM 561 O GLY A 35 -4.552 -9.495 -8.757 1.00 0.00 O ATOM 0 H GLY A 35 -1.312 -10.588 -10.210 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.529 -11.078 -10.422 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.415 -12.305 -9.176 1.00 0.00 H new ATOM 565 N ASP A 36 -3.228 -10.416 -7.206 1.00 0.00 N ATOM 566 CA ASP A 36 -3.711 -9.570 -6.133 1.00 0.00 C ATOM 567 C ASP A 36 -2.552 -8.823 -5.487 1.00 0.00 C ATOM 568 O ASP A 36 -1.564 -9.433 -5.062 1.00 0.00 O ATOM 569 CB ASP A 36 -4.453 -10.402 -5.083 1.00 0.00 C ATOM 570 CG ASP A 36 -5.711 -11.051 -5.629 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.700 -10.331 -5.878 1.00 0.00 O ATOM 572 OD2 ASP A 36 -5.717 -12.287 -5.816 1.00 0.00 O ATOM 0 H ASP A 36 -2.501 -11.075 -6.928 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.407 -8.844 -6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.787 -11.176 -4.702 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.716 -9.764 -4.239 1.00 0.00 H new ATOM 577 N GLY A 37 -2.668 -7.505 -5.424 1.00 0.00 N ATOM 578 CA GLY A 37 -1.618 -6.690 -4.850 1.00 0.00 C ATOM 579 C GLY A 37 -1.977 -5.221 -4.854 1.00 0.00 C ATOM 580 O GLY A 37 -3.010 -4.829 -5.399 1.00 0.00 O ATOM 0 H GLY A 37 -3.476 -6.983 -5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.426 -7.014 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.695 -6.840 -5.411 1.00 0.00 H new ATOM 584 N VAL A 38 -1.135 -4.405 -4.244 1.00 0.00 N ATOM 585 CA VAL A 38 -1.380 -2.971 -4.174 1.00 0.00 C ATOM 586 C VAL A 38 -0.124 -2.182 -4.527 1.00 0.00 C ATOM 587 O VAL A 38 0.939 -2.421 -3.963 1.00 0.00 O ATOM 588 CB VAL A 38 -1.876 -2.540 -2.771 1.00 0.00 C ATOM 589 CG1 VAL A 38 -3.299 -3.022 -2.531 1.00 0.00 C ATOM 590 CG2 VAL A 38 -0.950 -3.059 -1.675 1.00 0.00 C ATOM 0 H VAL A 38 -0.274 -4.709 -3.789 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.161 -2.751 -4.902 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.866 -1.451 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.627 -2.708 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.960 -2.594 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.331 -4.110 -2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.324 -2.741 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.917 -4.148 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.053 -2.660 -1.827 1.00 0.00 H new ATOM 600 N ILE A 39 -0.248 -1.258 -5.475 1.00 0.00 N ATOM 601 CA ILE A 39 0.854 -0.361 -5.811 1.00 0.00 C ATOM 602 C ILE A 39 0.748 0.908 -4.976 1.00 0.00 C ATOM 603 O ILE A 39 -0.231 1.654 -5.070 1.00 0.00 O ATOM 604 CB ILE A 39 0.903 0.013 -7.324 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.532 -1.112 -8.164 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.678 1.307 -7.544 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.658 -2.333 -8.317 1.00 0.00 C ATOM 0 H ILE A 39 -1.096 -1.111 -6.022 1.00 0.00 H new ATOM 0 HA ILE A 39 1.777 -0.895 -5.588 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.127 0.155 -7.650 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.769 -0.722 -9.154 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.475 -1.409 -7.705 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.696 1.544 -8.608 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.194 2.118 -7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.699 1.186 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.175 -3.077 -8.922 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.442 -2.751 -7.334 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.275 -2.053 -8.806 1.00 0.00 H new ATOM 619 N LEU A 40 1.739 1.126 -4.136 1.00 0.00 N ATOM 620 CA LEU A 40 1.794 2.311 -3.309 1.00 0.00 C ATOM 621 C LEU A 40 2.636 3.379 -3.997 1.00 0.00 C ATOM 622 O LEU A 40 3.749 3.112 -4.455 1.00 0.00 O ATOM 623 CB LEU A 40 2.380 1.949 -1.943 1.00 0.00 C ATOM 624 CG LEU A 40 1.974 2.852 -0.778 1.00 0.00 C ATOM 625 CD1 LEU A 40 2.275 2.154 0.531 1.00 0.00 C ATOM 626 CD2 LEU A 40 2.696 4.189 -0.833 1.00 0.00 C ATOM 0 H LEU A 40 2.525 0.489 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 40 0.790 2.709 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.087 0.927 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.467 1.959 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 40 0.905 3.048 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.986 2.798 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.714 1.221 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.342 1.940 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.384 4.806 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.772 4.024 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.450 4.697 -1.765 1.00 0.00 H new ATOM 638 N LEU A 41 2.092 4.579 -4.082 1.00 0.00 N ATOM 639 CA LEU A 41 2.778 5.681 -4.733 1.00 0.00 C ATOM 640 C LEU A 41 3.609 6.466 -3.723 1.00 0.00 C ATOM 641 O LEU A 41 3.060 7.173 -2.879 1.00 0.00 O ATOM 642 CB LEU A 41 1.779 6.615 -5.437 1.00 0.00 C ATOM 643 CG LEU A 41 1.133 6.073 -6.724 1.00 0.00 C ATOM 644 CD1 LEU A 41 0.181 4.922 -6.428 1.00 0.00 C ATOM 645 CD2 LEU A 41 0.400 7.186 -7.460 1.00 0.00 C ATOM 0 H LEU A 41 1.174 4.816 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 41 3.444 5.262 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.985 6.861 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.292 7.547 -5.677 1.00 0.00 H new ATOM 0 HG LEU A 41 1.932 5.692 -7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.257 4.564 -7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.729 4.111 -5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.611 5.267 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.051 6.786 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.379 7.595 -6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.105 7.975 -7.722 1.00 0.00 H new ATOM 657 N SER A 42 4.930 6.328 -3.825 1.00 0.00 N ATOM 658 CA SER A 42 5.879 7.042 -2.975 1.00 0.00 C ATOM 659 C SER A 42 5.758 6.646 -1.501 1.00 0.00 C ATOM 660 O SER A 42 6.321 5.638 -1.075 1.00 0.00 O ATOM 661 CB SER A 42 5.717 8.554 -3.149 1.00 0.00 C ATOM 662 OG SER A 42 5.762 8.901 -4.524 1.00 0.00 O ATOM 0 H SER A 42 5.375 5.712 -4.506 1.00 0.00 H new ATOM 0 HA SER A 42 6.880 6.754 -3.295 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.770 8.877 -2.717 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.508 9.075 -2.610 1.00 0.00 H new ATOM 0 HG SER A 42 5.656 9.870 -4.620 1.00 0.00 H new ATOM 863 N VAL A 56 3.536 3.654 7.065 1.00 0.00 N ATOM 864 CA VAL A 56 3.320 2.795 8.220 1.00 0.00 C ATOM 865 C VAL A 56 1.907 2.226 8.244 1.00 0.00 C ATOM 866 O VAL A 56 1.696 1.086 8.652 1.00 0.00 O ATOM 867 CB VAL A 56 3.587 3.545 9.541 1.00 0.00 C ATOM 868 CG1 VAL A 56 5.078 3.744 9.754 1.00 0.00 C ATOM 869 CG2 VAL A 56 2.865 4.886 9.563 1.00 0.00 C ATOM 0 HA VAL A 56 4.029 1.972 8.128 1.00 0.00 H new ATOM 0 HB VAL A 56 3.199 2.935 10.356 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.244 4.275 10.691 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.573 2.773 9.794 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.489 4.327 8.929 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.070 5.394 10.505 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.216 5.502 8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.792 4.723 9.465 1.00 0.00 H new ATOM 879 N MET A 57 0.947 3.030 7.796 1.00 0.00 N ATOM 880 CA MET A 57 -0.459 2.627 7.779 1.00 0.00 C ATOM 881 C MET A 57 -0.654 1.328 7.010 1.00 0.00 C ATOM 882 O MET A 57 -1.285 0.395 7.502 1.00 0.00 O ATOM 883 CB MET A 57 -1.325 3.730 7.163 1.00 0.00 C ATOM 884 CG MET A 57 -1.373 5.007 7.989 1.00 0.00 C ATOM 885 SD MET A 57 -2.334 6.310 7.195 1.00 0.00 S ATOM 886 CE MET A 57 -3.956 5.549 7.137 1.00 0.00 C ATOM 0 H MET A 57 1.117 3.970 7.438 1.00 0.00 H new ATOM 0 HA MET A 57 -0.768 2.463 8.811 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.944 3.965 6.169 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.340 3.353 7.035 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.803 4.787 8.966 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.357 5.363 8.161 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.713 6.317 6.978 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.991 4.830 6.319 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.152 5.037 8.079 1.00 0.00 H new ATOM 896 N ILE A 58 -0.091 1.261 5.810 1.00 0.00 N ATOM 897 CA ILE A 58 -0.225 0.076 4.974 1.00 0.00 C ATOM 898 C ILE A 58 0.484 -1.105 5.625 1.00 0.00 C ATOM 899 O ILE A 58 -0.074 -2.197 5.723 1.00 0.00 O ATOM 900 CB ILE A 58 0.336 0.296 3.542 1.00 0.00 C ATOM 901 CG1 ILE A 58 -0.465 1.368 2.786 1.00 0.00 C ATOM 902 CG2 ILE A 58 0.336 -1.006 2.752 1.00 0.00 C ATOM 903 CD1 ILE A 58 -0.056 2.792 3.105 1.00 0.00 C ATOM 0 H ILE A 58 0.461 2.012 5.395 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.291 -0.133 4.882 1.00 0.00 H new ATOM 0 HB ILE A 58 1.364 0.644 3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.352 1.201 1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.523 1.245 3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.733 -0.825 1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.958 -1.741 3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.683 -1.384 2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.670 3.485 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.196 2.981 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.993 2.936 2.846 1.00 0.00 H new ATOM 915 N ALA A 59 1.702 -0.864 6.100 1.00 0.00 N ATOM 916 CA ALA A 59 2.509 -1.904 6.728 1.00 0.00 C ATOM 917 C ALA A 59 1.799 -2.520 7.933 1.00 0.00 C ATOM 918 O ALA A 59 1.879 -3.729 8.160 1.00 0.00 O ATOM 919 CB ALA A 59 3.860 -1.342 7.142 1.00 0.00 C ATOM 0 H ALA A 59 2.154 0.049 6.061 1.00 0.00 H new ATOM 0 HA ALA A 59 2.660 -2.696 5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.453 -2.128 7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.383 -0.967 6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.713 -0.527 7.851 1.00 0.00 H new ATOM 925 N GLU A 60 1.108 -1.683 8.696 1.00 0.00 N ATOM 926 CA GLU A 60 0.404 -2.132 9.888 1.00 0.00 C ATOM 927 C GLU A 60 -0.861 -2.905 9.505 1.00 0.00 C ATOM 928 O GLU A 60 -1.188 -3.925 10.113 1.00 0.00 O ATOM 929 CB GLU A 60 0.052 -0.927 10.766 1.00 0.00 C ATOM 930 CG GLU A 60 -0.271 -1.294 12.204 1.00 0.00 C ATOM 931 CD GLU A 60 0.901 -1.951 12.911 1.00 0.00 C ATOM 932 OE1 GLU A 60 1.789 -1.226 13.415 1.00 0.00 O ATOM 933 OE2 GLU A 60 0.942 -3.195 12.968 1.00 0.00 O ATOM 0 H GLU A 60 1.020 -0.684 8.508 1.00 0.00 H new ATOM 0 HA GLU A 60 1.054 -2.802 10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.887 -0.226 10.758 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.803 -0.409 10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.563 -0.396 12.748 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.127 -1.969 12.220 1.00 0.00 H new ATOM 940 N LEU A 61 -1.552 -2.421 8.476 1.00 0.00 N ATOM 941 CA LEU A 61 -2.778 -3.054 7.991 1.00 0.00 C ATOM 942 C LEU A 61 -2.518 -4.481 7.517 1.00 0.00 C ATOM 943 O LEU A 61 -3.314 -5.388 7.770 1.00 0.00 O ATOM 944 CB LEU A 61 -3.366 -2.242 6.837 1.00 0.00 C ATOM 945 CG LEU A 61 -4.636 -1.453 7.169 1.00 0.00 C ATOM 946 CD1 LEU A 61 -5.747 -2.389 7.621 1.00 0.00 C ATOM 947 CD2 LEU A 61 -4.354 -0.408 8.237 1.00 0.00 C ATOM 0 H LEU A 61 -1.282 -1.585 7.957 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.484 -3.087 8.821 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.607 -1.544 6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.585 -2.920 6.012 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.965 -0.941 6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.640 -1.809 7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.971 -3.099 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.427 -2.931 8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.269 0.142 8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.998 -0.900 9.142 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.593 0.284 7.877 1.00 0.00 H new ATOM 959 N LEU A 62 -1.398 -4.657 6.823 1.00 0.00 N ATOM 960 CA LEU A 62 -1.002 -5.954 6.263 1.00 0.00 C ATOM 961 C LEU A 62 -1.035 -7.075 7.302 1.00 0.00 C ATOM 962 O LEU A 62 -1.278 -8.233 6.966 1.00 0.00 O ATOM 963 CB LEU A 62 0.412 -5.860 5.689 1.00 0.00 C ATOM 964 CG LEU A 62 0.604 -4.816 4.593 1.00 0.00 C ATOM 965 CD1 LEU A 62 2.075 -4.696 4.233 1.00 0.00 C ATOM 966 CD2 LEU A 62 -0.225 -5.165 3.367 1.00 0.00 C ATOM 0 H LEU A 62 -0.735 -3.906 6.630 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.723 -6.196 5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.103 -5.639 6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.690 -6.836 5.291 1.00 0.00 H new ATOM 0 HG LEU A 62 0.261 -3.852 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.198 -3.948 3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.642 -4.396 5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.442 -5.658 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.073 -4.408 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.083 -6.138 2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.280 -5.200 3.639 1.00 0.00 H new ATOM 978 N ARG A 63 -0.799 -6.727 8.559 1.00 0.00 N ATOM 979 CA ARG A 63 -0.660 -7.722 9.614 1.00 0.00 C ATOM 980 C ARG A 63 -1.951 -8.493 9.877 1.00 0.00 C ATOM 981 O ARG A 63 -1.902 -9.678 10.210 1.00 0.00 O ATOM 982 CB ARG A 63 -0.173 -7.069 10.907 1.00 0.00 C ATOM 983 CG ARG A 63 1.317 -6.778 10.915 1.00 0.00 C ATOM 984 CD ARG A 63 1.749 -6.136 12.223 1.00 0.00 C ATOM 985 NE ARG A 63 3.202 -6.177 12.403 1.00 0.00 N ATOM 986 CZ ARG A 63 3.901 -5.262 13.076 1.00 0.00 C ATOM 987 NH1 ARG A 63 3.303 -4.173 13.534 1.00 0.00 N ATOM 988 NH2 ARG A 63 5.208 -5.419 13.260 1.00 0.00 N ATOM 0 H ARG A 63 -0.700 -5.762 8.874 1.00 0.00 H new ATOM 0 HA ARG A 63 0.080 -8.442 9.264 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.718 -6.138 11.062 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.412 -7.722 11.747 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.871 -7.704 10.762 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.565 -6.117 10.084 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.410 -5.100 12.247 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.266 -6.649 13.055 1.00 0.00 H new ATOM 0 HE ARG A 63 3.712 -6.956 11.987 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.306 -4.033 13.372 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.840 -3.475 14.048 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.680 -6.242 12.886 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.738 -4.717 13.775 1.00 0.00 H new ATOM 1002 N GLU A 64 -3.103 -7.845 9.736 1.00 0.00 N ATOM 1003 CA GLU A 64 -4.346 -8.483 10.114 1.00 0.00 C ATOM 1004 C GLU A 64 -5.345 -8.614 8.963 1.00 0.00 C ATOM 1005 O GLU A 64 -6.427 -9.161 9.169 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.997 -7.711 11.251 1.00 0.00 C ATOM 1007 CG GLU A 64 -5.664 -6.412 10.826 1.00 0.00 C ATOM 1008 CD GLU A 64 -6.907 -6.128 11.640 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -7.912 -6.853 11.465 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -6.890 -5.192 12.464 1.00 0.00 O ATOM 0 H GLU A 64 -3.196 -6.898 9.370 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.085 -9.494 10.426 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.741 -8.349 11.728 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.240 -7.488 12.003 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.960 -5.588 10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.926 -6.466 9.769 1.00 0.00 H new ATOM 1017 N PHE A 65 -4.999 -8.126 7.768 1.00 0.00 N ATOM 1018 CA PHE A 65 -5.947 -8.125 6.648 1.00 0.00 C ATOM 1019 C PHE A 65 -6.409 -9.548 6.322 1.00 0.00 C ATOM 1020 O PHE A 65 -5.651 -10.345 5.771 1.00 0.00 O ATOM 1021 CB PHE A 65 -5.337 -7.480 5.396 1.00 0.00 C ATOM 1022 CG PHE A 65 -6.288 -6.556 4.685 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -7.227 -7.047 3.792 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -6.243 -5.190 4.919 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -8.101 -6.193 3.146 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -7.114 -4.331 4.275 1.00 0.00 C ATOM 1027 CZ PHE A 65 -8.046 -4.833 3.388 1.00 0.00 C ATOM 0 H PHE A 65 -4.083 -7.732 7.552 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.809 -7.533 6.956 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.443 -6.924 5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.020 -8.264 4.709 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.276 -8.108 3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.518 -4.792 5.613 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.827 -6.589 2.452 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.066 -3.269 4.465 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.730 -4.165 2.885 1.00 0.00 H new ATOM 1037 N PRO A 66 -7.668 -9.879 6.657 1.00 0.00 N ATOM 1038 CA PRO A 66 -8.197 -11.232 6.522 1.00 0.00 C ATOM 1039 C PRO A 66 -8.836 -11.489 5.160 1.00 0.00 C ATOM 1040 O PRO A 66 -9.243 -12.607 4.854 1.00 0.00 O ATOM 1041 CB PRO A 66 -9.259 -11.272 7.617 1.00 0.00 C ATOM 1042 CG PRO A 66 -9.785 -9.873 7.690 1.00 0.00 C ATOM 1043 CD PRO A 66 -8.681 -8.958 7.212 1.00 0.00 C ATOM 0 HA PRO A 66 -7.419 -11.990 6.607 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.051 -11.980 7.374 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.833 -11.585 8.570 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -10.673 -9.762 7.068 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.077 -9.624 8.710 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.041 -8.259 6.457 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.274 -8.363 8.029 1.00 0.00 H new ATOM 1051 N GLN A 67 -8.922 -10.447 4.347 1.00 0.00 N ATOM 1052 CA GLN A 67 -9.590 -10.549 3.059 1.00 0.00 C ATOM 1053 C GLN A 67 -8.628 -10.985 1.964 1.00 0.00 C ATOM 1054 O GLN A 67 -8.996 -11.767 1.089 1.00 0.00 O ATOM 1055 CB GLN A 67 -10.246 -9.215 2.688 1.00 0.00 C ATOM 1056 CG GLN A 67 -11.480 -8.893 3.517 1.00 0.00 C ATOM 1057 CD GLN A 67 -12.587 -9.915 3.337 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -12.661 -10.905 4.062 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -13.457 -9.676 2.371 1.00 0.00 N ATOM 0 H GLN A 67 -8.539 -9.525 4.555 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.364 -11.312 3.148 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.517 -8.414 2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.522 -9.236 1.634 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.203 -8.844 4.570 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.852 -7.907 3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.360 -8.842 1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.226 -10.325 2.205 1.00 0.00 H new ATOM 1068 N PHE A 68 -7.393 -10.503 2.015 1.00 0.00 N ATOM 1069 CA PHE A 68 -6.450 -10.762 0.934 1.00 0.00 C ATOM 1070 C PHE A 68 -5.075 -11.137 1.462 1.00 0.00 C ATOM 1071 O PHE A 68 -4.571 -10.523 2.405 1.00 0.00 O ATOM 1072 CB PHE A 68 -6.303 -9.531 0.034 1.00 0.00 C ATOM 1073 CG PHE A 68 -7.601 -8.937 -0.425 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -8.312 -9.506 -1.465 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -8.104 -7.803 0.190 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -9.506 -8.956 -1.887 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -9.297 -7.245 -0.229 1.00 0.00 C ATOM 1078 CZ PHE A 68 -9.999 -7.823 -1.268 1.00 0.00 C ATOM 0 H PHE A 68 -7.024 -9.939 2.781 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.853 -11.598 0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.739 -8.769 0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.714 -9.805 -0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.929 -10.390 -1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.559 -7.350 1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -10.054 -9.410 -2.699 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -9.679 -6.359 0.255 1.00 0.00 H new ATOM 0 HZ PHE A 68 -10.932 -7.390 -1.597 1.00 0.00 H new ATOM 1088 N ASP A 69 -4.480 -12.151 0.855 1.00 0.00 N ATOM 1089 CA ASP A 69 -3.062 -12.427 1.032 1.00 0.00 C ATOM 1090 C ASP A 69 -2.331 -11.942 -0.213 1.00 0.00 C ATOM 1091 O ASP A 69 -1.968 -12.719 -1.095 1.00 0.00 O ATOM 1092 CB ASP A 69 -2.805 -13.920 1.279 1.00 0.00 C ATOM 1093 CG ASP A 69 -1.326 -14.264 1.354 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -0.586 -13.604 2.112 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -0.902 -15.213 0.659 1.00 0.00 O ATOM 0 H ASP A 69 -4.960 -12.800 0.232 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.692 -11.901 1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.289 -14.217 2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.267 -14.500 0.480 1.00 0.00 H new ATOM 1100 N TRP A 70 -2.185 -10.632 -0.296 1.00 0.00 N ATOM 1101 CA TRP A 70 -1.663 -9.992 -1.493 1.00 0.00 C ATOM 1102 C TRP A 70 -0.201 -9.601 -1.342 1.00 0.00 C ATOM 1103 O TRP A 70 0.339 -9.568 -0.237 1.00 0.00 O ATOM 1104 CB TRP A 70 -2.505 -8.757 -1.856 1.00 0.00 C ATOM 1105 CG TRP A 70 -2.813 -7.833 -0.705 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -2.157 -7.738 0.492 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -3.859 -6.858 -0.664 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -2.750 -6.782 1.280 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -3.793 -6.223 0.590 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -4.850 -6.464 -1.568 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -4.682 -5.220 0.965 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -5.731 -5.464 -1.196 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -5.641 -4.851 0.059 1.00 0.00 C ATOM 0 H TRP A 70 -2.422 -9.985 0.456 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.728 -10.721 -2.301 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -1.979 -8.191 -2.625 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.445 -9.093 -2.294 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.298 -8.328 0.776 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -2.461 -6.529 2.225 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.926 -6.931 -2.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -4.618 -4.750 1.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -6.501 -5.151 -1.886 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -6.342 -4.071 0.318 1.00 0.00 H new ATOM 1124 N GLN A 71 0.430 -9.308 -2.470 1.00 0.00 N ATOM 1125 CA GLN A 71 1.809 -8.854 -2.476 1.00 0.00 C ATOM 1126 C GLN A 71 1.844 -7.335 -2.403 1.00 0.00 C ATOM 1127 O GLN A 71 1.082 -6.655 -3.092 1.00 0.00 O ATOM 1128 CB GLN A 71 2.548 -9.341 -3.729 1.00 0.00 C ATOM 1129 CG GLN A 71 2.877 -10.832 -3.737 1.00 0.00 C ATOM 1130 CD GLN A 71 1.655 -11.720 -3.891 1.00 0.00 C ATOM 1131 OE1 GLN A 71 1.288 -12.009 -5.129 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 1.049 -12.145 -2.909 1.00 0.00 N flip ATOM 0 H GLN A 71 0.005 -9.378 -3.395 1.00 0.00 H new ATOM 0 HA GLN A 71 2.315 -9.273 -1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.940 -9.112 -4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.476 -8.778 -3.829 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.572 -11.039 -4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.388 -11.088 -2.809 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.363 -11.900 -1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.232 -12.743 -3.033 1.00 0.00 H new ATOM 1141 N VAL A 72 2.714 -6.808 -1.565 1.00 0.00 N ATOM 1142 CA VAL A 72 2.786 -5.373 -1.352 1.00 0.00 C ATOM 1143 C VAL A 72 3.766 -4.745 -2.331 1.00 0.00 C ATOM 1144 O VAL A 72 4.891 -5.213 -2.475 1.00 0.00 O ATOM 1145 CB VAL A 72 3.225 -5.047 0.086 1.00 0.00 C ATOM 1146 CG1 VAL A 72 2.999 -3.575 0.396 1.00 0.00 C ATOM 1147 CG2 VAL A 72 2.493 -5.934 1.079 1.00 0.00 C ATOM 0 H VAL A 72 3.383 -7.351 -1.019 1.00 0.00 H new ATOM 0 HA VAL A 72 1.790 -4.962 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 72 4.293 -5.248 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.316 -3.366 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.579 -2.964 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.940 -3.339 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.815 -5.690 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.419 -5.770 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.719 -6.979 0.868 1.00 0.00 H new ATOM 1157 N ALA A 73 3.333 -3.698 -3.007 1.00 0.00 N ATOM 1158 CA ALA A 73 4.179 -3.014 -3.962 1.00 0.00 C ATOM 1159 C ALA A 73 4.251 -1.531 -3.644 1.00 0.00 C ATOM 1160 O ALA A 73 3.260 -0.921 -3.253 1.00 0.00 O ATOM 1161 CB ALA A 73 3.658 -3.225 -5.372 1.00 0.00 C ATOM 0 H ALA A 73 2.398 -3.303 -2.911 1.00 0.00 H new ATOM 0 HA ALA A 73 5.184 -3.431 -3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.304 -2.705 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.651 -4.290 -5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.645 -2.831 -5.448 1.00 0.00 H new ATOM 1167 N VAL A 74 5.426 -0.958 -3.804 1.00 0.00 N ATOM 1168 CA VAL A 74 5.628 0.456 -3.552 1.00 0.00 C ATOM 1169 C VAL A 74 6.652 1.017 -4.534 1.00 0.00 C ATOM 1170 O VAL A 74 7.641 0.359 -4.862 1.00 0.00 O ATOM 1171 CB VAL A 74 6.081 0.714 -2.090 1.00 0.00 C ATOM 1172 CG1 VAL A 74 7.316 -0.107 -1.753 1.00 0.00 C ATOM 1173 CG2 VAL A 74 6.348 2.196 -1.851 1.00 0.00 C ATOM 0 H VAL A 74 6.263 -1.454 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 74 4.675 0.966 -3.696 1.00 0.00 H new ATOM 0 HB VAL A 74 5.269 0.404 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.615 0.091 -0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.091 -1.167 -1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.129 0.166 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.664 2.347 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.134 2.537 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.437 2.765 -2.039 1.00 0.00 H new ATOM 1183 N ALA A 75 6.386 2.210 -5.034 1.00 0.00 N ATOM 1184 CA ALA A 75 7.309 2.887 -5.925 1.00 0.00 C ATOM 1185 C ALA A 75 7.971 4.046 -5.191 1.00 0.00 C ATOM 1186 O ALA A 75 7.395 4.593 -4.254 1.00 0.00 O ATOM 1187 CB ALA A 75 6.592 3.371 -7.178 1.00 0.00 C ATOM 0 H ALA A 75 5.533 2.732 -4.836 1.00 0.00 H new ATOM 0 HA ALA A 75 8.081 2.184 -6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.303 3.876 -7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.159 2.519 -7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.800 4.066 -6.899 1.00 0.00 H new ATOM 1193 N ASP A 76 9.164 4.424 -5.632 1.00 0.00 N ATOM 1194 CA ASP A 76 9.973 5.419 -4.927 1.00 0.00 C ATOM 1195 C ASP A 76 9.307 6.802 -4.924 1.00 0.00 C ATOM 1196 O ASP A 76 8.817 7.257 -3.894 1.00 0.00 O ATOM 1197 CB ASP A 76 11.399 5.484 -5.528 1.00 0.00 C ATOM 1198 CG ASP A 76 11.455 5.981 -6.969 1.00 0.00 C ATOM 1199 OD1 ASP A 76 10.506 5.718 -7.744 1.00 0.00 O ATOM 1200 OD2 ASP A 76 12.446 6.650 -7.329 1.00 0.00 O ATOM 0 H ASP A 76 9.598 4.056 -6.479 1.00 0.00 H new ATOM 0 HA ASP A 76 10.052 5.104 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.012 6.138 -4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.845 4.490 -5.482 1.00 0.00 H new ATOM 1205 N LEU A 77 9.272 7.443 -6.081 1.00 0.00 N ATOM 1206 CA LEU A 77 8.733 8.791 -6.228 1.00 0.00 C ATOM 1207 C LEU A 77 8.382 9.029 -7.684 1.00 0.00 C ATOM 1208 O LEU A 77 7.235 9.319 -8.030 1.00 0.00 O ATOM 1209 CB LEU A 77 9.754 9.855 -5.781 1.00 0.00 C ATOM 1210 CG LEU A 77 9.978 9.983 -4.271 1.00 0.00 C ATOM 1211 CD1 LEU A 77 11.171 10.883 -3.987 1.00 0.00 C ATOM 1212 CD2 LEU A 77 8.729 10.530 -3.590 1.00 0.00 C ATOM 0 H LEU A 77 9.619 7.042 -6.953 1.00 0.00 H new ATOM 0 HA LEU A 77 7.847 8.875 -5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.711 9.631 -6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.430 10.823 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 77 10.185 8.992 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.317 10.964 -2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.065 10.457 -4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.987 11.873 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.906 10.614 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.494 11.513 -3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.892 9.854 -3.767 1.00 0.00 H new ATOM 1224 N GLU A 78 9.387 8.863 -8.532 1.00 0.00 N ATOM 1225 CA GLU A 78 9.249 9.108 -9.958 1.00 0.00 C ATOM 1226 C GLU A 78 8.391 8.027 -10.603 1.00 0.00 C ATOM 1227 O GLU A 78 7.539 8.312 -11.446 1.00 0.00 O ATOM 1228 CB GLU A 78 10.630 9.149 -10.602 1.00 0.00 C ATOM 1229 CG GLU A 78 10.637 9.694 -12.020 1.00 0.00 C ATOM 1230 CD GLU A 78 12.041 9.913 -12.536 1.00 0.00 C ATOM 1231 OE1 GLU A 78 12.707 10.857 -12.064 1.00 0.00 O ATOM 1232 OE2 GLU A 78 12.487 9.139 -13.411 1.00 0.00 O ATOM 0 H GLU A 78 10.318 8.556 -8.251 1.00 0.00 H new ATOM 0 HA GLU A 78 8.755 10.068 -10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.288 9.761 -9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.046 8.141 -10.609 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.113 9.000 -12.678 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.089 10.636 -12.049 1.00 0.00 H new ATOM 1239 N GLN A 79 8.603 6.784 -10.186 1.00 0.00 N ATOM 1240 CA GLN A 79 7.828 5.672 -10.712 1.00 0.00 C ATOM 1241 C GLN A 79 6.377 5.784 -10.276 1.00 0.00 C ATOM 1242 O GLN A 79 5.472 5.452 -11.033 1.00 0.00 O ATOM 1243 CB GLN A 79 8.426 4.337 -10.275 1.00 0.00 C ATOM 1244 CG GLN A 79 9.772 4.058 -10.922 1.00 0.00 C ATOM 1245 CD GLN A 79 9.679 3.989 -12.437 1.00 0.00 C ATOM 1246 OE1 GLN A 79 8.670 3.551 -12.994 1.00 0.00 O ATOM 1247 NE2 GLN A 79 10.724 4.433 -13.116 1.00 0.00 N ATOM 0 H GLN A 79 9.301 6.524 -9.489 1.00 0.00 H new ATOM 0 HA GLN A 79 7.863 5.714 -11.801 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.541 4.332 -9.191 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.733 3.534 -10.526 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.478 4.839 -10.639 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.168 3.117 -10.541 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.541 4.788 -12.620 1.00 0.00 H new ATOM 0 HE22 GLN A 79 10.712 4.420 -14.136 1.00 0.00 H new ATOM 1256 N SER A 80 6.161 6.272 -9.058 1.00 0.00 N ATOM 1257 CA SER A 80 4.820 6.511 -8.551 1.00 0.00 C ATOM 1258 C SER A 80 4.062 7.469 -9.464 1.00 0.00 C ATOM 1259 O SER A 80 2.913 7.217 -9.828 1.00 0.00 O ATOM 1260 CB SER A 80 4.911 7.106 -7.152 1.00 0.00 C ATOM 1261 OG SER A 80 5.918 6.453 -6.403 1.00 0.00 O ATOM 0 H SER A 80 6.905 6.510 -8.402 1.00 0.00 H new ATOM 0 HA SER A 80 4.282 5.564 -8.519 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.130 8.172 -7.217 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.951 7.008 -6.645 1.00 0.00 H new ATOM 0 HG SER A 80 6.409 7.113 -5.870 1.00 0.00 H new ATOM 1267 N GLU A 81 4.730 8.553 -9.842 1.00 0.00 N ATOM 1268 CA GLU A 81 4.140 9.575 -10.693 1.00 0.00 C ATOM 1269 C GLU A 81 3.700 8.972 -12.027 1.00 0.00 C ATOM 1270 O GLU A 81 2.610 9.253 -12.526 1.00 0.00 O ATOM 1271 CB GLU A 81 5.171 10.679 -10.933 1.00 0.00 C ATOM 1272 CG GLU A 81 4.601 11.956 -11.523 1.00 0.00 C ATOM 1273 CD GLU A 81 3.792 12.753 -10.520 1.00 0.00 C ATOM 1274 OE1 GLU A 81 2.837 12.203 -9.946 1.00 0.00 O ATOM 1275 OE2 GLU A 81 4.102 13.946 -10.313 1.00 0.00 O ATOM 0 H GLU A 81 5.693 8.746 -9.567 1.00 0.00 H new ATOM 0 HA GLU A 81 3.262 9.991 -10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.657 10.916 -9.987 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.943 10.298 -11.601 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.417 12.574 -11.899 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.971 11.707 -12.377 1.00 0.00 H new ATOM 1282 N ALA A 82 4.556 8.122 -12.583 1.00 0.00 N ATOM 1283 CA ALA A 82 4.299 7.500 -13.876 1.00 0.00 C ATOM 1284 C ALA A 82 3.206 6.433 -13.796 1.00 0.00 C ATOM 1285 O ALA A 82 2.381 6.316 -14.706 1.00 0.00 O ATOM 1286 CB ALA A 82 5.581 6.898 -14.427 1.00 0.00 C ATOM 0 H ALA A 82 5.440 7.847 -12.155 1.00 0.00 H new ATOM 0 HA ALA A 82 3.942 8.279 -14.550 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.380 6.435 -15.393 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.328 7.682 -14.549 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.956 6.144 -13.735 1.00 0.00 H new ATOM 1292 N ILE A 83 3.196 5.658 -12.716 1.00 0.00 N ATOM 1293 CA ILE A 83 2.202 4.599 -12.546 1.00 0.00 C ATOM 1294 C ILE A 83 0.788 5.178 -12.504 1.00 0.00 C ATOM 1295 O ILE A 83 -0.107 4.692 -13.190 1.00 0.00 O ATOM 1296 CB ILE A 83 2.460 3.762 -11.272 1.00 0.00 C ATOM 1297 CG1 ILE A 83 3.775 2.984 -11.400 1.00 0.00 C ATOM 1298 CG2 ILE A 83 1.297 2.811 -11.006 1.00 0.00 C ATOM 1299 CD1 ILE A 83 4.150 2.213 -10.150 1.00 0.00 C ATOM 0 H ILE A 83 3.861 5.741 -11.947 1.00 0.00 H new ATOM 0 HA ILE A 83 2.294 3.940 -13.409 1.00 0.00 H new ATOM 0 HB ILE A 83 2.543 4.443 -10.425 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.696 2.288 -12.235 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.578 3.681 -11.641 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.499 2.232 -10.105 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.381 3.386 -10.870 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.179 2.135 -11.853 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.091 1.688 -10.315 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.262 2.905 -9.316 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.367 1.491 -9.919 1.00 0.00 H new ATOM 1311 N GLY A 84 0.594 6.226 -11.714 1.00 0.00 N ATOM 1312 CA GLY A 84 -0.716 6.842 -11.619 1.00 0.00 C ATOM 1313 C GLY A 84 -1.132 7.496 -12.922 1.00 0.00 C ATOM 1314 O GLY A 84 -2.315 7.524 -13.268 1.00 0.00 O ATOM 0 H GLY A 84 1.317 6.659 -11.139 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.452 6.088 -11.341 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.709 7.588 -10.825 1.00 0.00 H new ATOM 1318 N ASP A 85 -0.144 7.992 -13.654 1.00 0.00 N ATOM 1319 CA ASP A 85 -0.368 8.686 -14.922 1.00 0.00 C ATOM 1320 C ASP A 85 -0.871 7.720 -15.981 1.00 0.00 C ATOM 1321 O ASP A 85 -1.647 8.093 -16.860 1.00 0.00 O ATOM 1322 CB ASP A 85 0.943 9.320 -15.385 1.00 0.00 C ATOM 1323 CG ASP A 85 0.804 10.192 -16.620 1.00 0.00 C ATOM 1324 OD1 ASP A 85 0.959 9.670 -17.746 1.00 0.00 O ATOM 1325 OD2 ASP A 85 0.592 11.412 -16.469 1.00 0.00 O ATOM 0 H ASP A 85 0.838 7.926 -13.388 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.123 9.458 -14.774 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.351 9.921 -14.572 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.665 8.529 -15.590 1.00 0.00 H new ATOM 1330 N ARG A 86 -0.410 6.481 -15.871 1.00 0.00 N ATOM 1331 CA ARG A 86 -0.816 5.390 -16.761 1.00 0.00 C ATOM 1332 C ARG A 86 -2.324 5.388 -16.987 1.00 0.00 C ATOM 1333 O ARG A 86 -2.792 5.249 -18.120 1.00 0.00 O ATOM 1334 CB ARG A 86 -0.378 4.055 -16.155 1.00 0.00 C ATOM 1335 CG ARG A 86 -0.839 2.812 -16.909 1.00 0.00 C ATOM 1336 CD ARG A 86 -0.266 2.737 -18.314 1.00 0.00 C ATOM 1337 NE ARG A 86 -1.197 3.251 -19.319 1.00 0.00 N ATOM 1338 CZ ARG A 86 -1.211 2.852 -20.589 1.00 0.00 C ATOM 1339 NH1 ARG A 86 -0.333 1.946 -21.014 1.00 0.00 N ATOM 1340 NH2 ARG A 86 -2.102 3.358 -21.436 1.00 0.00 N ATOM 0 H ARG A 86 0.262 6.198 -15.157 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.335 5.536 -17.728 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.710 4.041 -16.097 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.752 3.999 -15.133 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.544 1.923 -16.352 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.928 2.807 -16.963 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.663 3.306 -18.357 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.016 1.702 -18.548 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.875 3.956 -19.030 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.352 1.556 -20.366 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.345 1.641 -21.987 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.776 4.053 -21.113 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.112 3.052 -22.409 1.00 0.00 H new ATOM 1354 N PHE A 87 -3.078 5.543 -15.912 1.00 0.00 N ATOM 1355 CA PHE A 87 -4.530 5.595 -16.012 1.00 0.00 C ATOM 1356 C PHE A 87 -5.026 7.039 -15.924 1.00 0.00 C ATOM 1357 O PHE A 87 -5.395 7.635 -16.937 1.00 0.00 O ATOM 1358 CB PHE A 87 -5.201 4.741 -14.923 1.00 0.00 C ATOM 1359 CG PHE A 87 -4.246 3.983 -14.038 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -3.835 2.700 -14.366 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -3.778 4.553 -12.868 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -2.966 2.005 -13.542 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -2.914 3.864 -12.042 1.00 0.00 C ATOM 1364 CZ PHE A 87 -2.507 2.590 -12.378 1.00 0.00 C ATOM 0 H PHE A 87 -2.713 5.635 -14.964 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.805 5.184 -16.983 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.815 5.390 -14.299 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.874 4.029 -15.402 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.196 2.238 -15.273 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.093 5.550 -12.598 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.648 1.008 -13.809 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.556 4.323 -11.132 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.830 2.050 -11.732 1.00 0.00 H new ATOM 1374 N ASN A 88 -4.978 7.603 -14.716 1.00 0.00 N ATOM 1375 CA ASN A 88 -5.549 8.922 -14.430 1.00 0.00 C ATOM 1376 C ASN A 88 -5.549 9.177 -12.917 1.00 0.00 C ATOM 1377 O ASN A 88 -6.332 9.975 -12.404 1.00 0.00 O ATOM 1378 CB ASN A 88 -6.988 9.018 -14.965 1.00 0.00 C ATOM 1379 CG ASN A 88 -7.431 10.445 -15.256 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -6.958 11.403 -14.643 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -8.351 10.600 -16.197 1.00 0.00 N ATOM 0 H ASN A 88 -4.542 7.159 -13.908 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.937 9.675 -14.927 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.069 8.427 -15.877 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.668 8.575 -14.238 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.688 11.534 -16.432 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.722 9.786 -16.686 1.00 0.00 H new ATOM 1388 N VAL A 89 -4.643 8.516 -12.203 1.00 0.00 N ATOM 1389 CA VAL A 89 -4.602 8.607 -10.751 1.00 0.00 C ATOM 1390 C VAL A 89 -3.280 9.243 -10.329 1.00 0.00 C ATOM 1391 O VAL A 89 -2.753 8.998 -9.245 1.00 0.00 O ATOM 1392 CB VAL A 89 -4.766 7.213 -10.087 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -5.066 7.349 -8.597 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -5.864 6.412 -10.776 1.00 0.00 C ATOM 0 H VAL A 89 -3.928 7.912 -12.608 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.435 9.226 -10.417 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.823 6.677 -10.199 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.176 6.358 -8.156 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.246 7.875 -8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.990 7.911 -8.462 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.961 5.439 -10.294 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.809 6.950 -10.701 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.608 6.273 -11.826 1.00 0.00 H new ATOM 1404 N ARG A 90 -2.749 10.070 -11.216 1.00 0.00 N ATOM 1405 CA ARG A 90 -1.525 10.803 -10.950 1.00 0.00 C ATOM 1406 C ARG A 90 -1.833 11.981 -10.035 1.00 0.00 C ATOM 1407 O ARG A 90 -1.949 13.124 -10.485 1.00 0.00 O ATOM 1408 CB ARG A 90 -0.912 11.282 -12.270 1.00 0.00 C ATOM 1409 CG ARG A 90 0.397 12.038 -12.123 1.00 0.00 C ATOM 1410 CD ARG A 90 0.905 12.496 -13.477 1.00 0.00 C ATOM 1411 NE ARG A 90 2.150 13.254 -13.381 1.00 0.00 N ATOM 1412 CZ ARG A 90 3.044 13.329 -14.365 1.00 0.00 C ATOM 1413 NH1 ARG A 90 2.827 12.690 -15.507 1.00 0.00 N ATOM 1414 NH2 ARG A 90 4.146 14.050 -14.214 1.00 0.00 N ATOM 0 H ARG A 90 -3.153 10.250 -12.135 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.804 10.154 -10.454 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.747 10.418 -12.913 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.632 11.924 -12.778 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.254 12.900 -11.472 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.141 11.399 -11.647 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.061 11.627 -14.116 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.145 13.112 -13.957 1.00 0.00 H new ATOM 0 HE ARG A 90 2.345 13.753 -12.513 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.976 12.142 -15.631 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.511 12.747 -16.261 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.312 14.551 -13.341 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.828 14.104 -14.971 1.00 0.00 H new ATOM 1428 N ARG A 91 -2.021 11.690 -8.758 1.00 0.00 N ATOM 1429 CA ARG A 91 -2.423 12.707 -7.813 1.00 0.00 C ATOM 1430 C ARG A 91 -1.872 12.416 -6.421 1.00 0.00 C ATOM 1431 O ARG A 91 -2.593 11.903 -5.564 1.00 0.00 O ATOM 1432 CB ARG A 91 -3.950 12.799 -7.758 1.00 0.00 C ATOM 1433 CG ARG A 91 -4.435 14.126 -7.219 1.00 0.00 C ATOM 1434 CD ARG A 91 -4.065 15.244 -8.172 1.00 0.00 C ATOM 1435 NE ARG A 91 -4.173 16.551 -7.544 1.00 0.00 N ATOM 1436 CZ ARG A 91 -3.990 17.698 -8.187 1.00 0.00 C ATOM 1437 NH1 ARG A 91 -3.819 17.703 -9.502 1.00 0.00 N ATOM 1438 NH2 ARG A 91 -4.009 18.845 -7.520 1.00 0.00 N ATOM 0 H ARG A 91 -1.901 10.760 -8.357 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.014 13.660 -8.150 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.355 12.648 -8.758 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.336 11.994 -7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.516 14.098 -7.082 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.994 14.312 -6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.045 15.095 -8.527 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.716 15.206 -9.046 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.403 16.589 -6.551 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.828 16.825 -10.021 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.679 18.585 -9.995 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.164 18.846 -6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.868 19.725 -8.015 1.00 0.00 H new ATOM 1452 N PHE A 92 -0.587 12.717 -6.224 1.00 0.00 N ATOM 1453 CA PHE A 92 0.051 12.616 -4.909 1.00 0.00 C ATOM 1454 C PHE A 92 0.163 11.157 -4.433 1.00 0.00 C ATOM 1455 O PHE A 92 -0.318 10.238 -5.097 1.00 0.00 O ATOM 1456 CB PHE A 92 -0.717 13.480 -3.894 1.00 0.00 C ATOM 1457 CG PHE A 92 -0.561 14.955 -4.126 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -1.422 15.635 -4.973 1.00 0.00 C ATOM 1459 CD2 PHE A 92 0.447 15.663 -3.495 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -1.278 16.992 -5.184 1.00 0.00 C ATOM 1461 CE2 PHE A 92 0.598 17.020 -3.703 1.00 0.00 C ATOM 1462 CZ PHE A 92 -0.267 17.686 -4.549 1.00 0.00 C ATOM 0 H PHE A 92 0.037 13.035 -6.965 1.00 0.00 H new ATOM 0 HA PHE A 92 1.071 12.992 -4.994 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.775 13.223 -3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.371 13.240 -2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.214 15.098 -5.473 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.125 15.147 -2.831 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.956 17.511 -5.846 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.391 17.559 -3.205 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.153 18.747 -4.714 1.00 0.00 H new ATOM 1472 N PRO A 93 0.867 10.917 -3.306 1.00 0.00 N ATOM 1473 CA PRO A 93 0.997 9.573 -2.726 1.00 0.00 C ATOM 1474 C PRO A 93 -0.347 8.953 -2.352 1.00 0.00 C ATOM 1475 O PRO A 93 -1.174 9.579 -1.689 1.00 0.00 O ATOM 1476 CB PRO A 93 1.845 9.801 -1.471 1.00 0.00 C ATOM 1477 CG PRO A 93 2.577 11.067 -1.737 1.00 0.00 C ATOM 1478 CD PRO A 93 1.630 11.914 -2.532 1.00 0.00 C ATOM 0 HA PRO A 93 1.438 8.875 -3.437 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.221 9.883 -0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.534 8.973 -1.302 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.860 11.560 -0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 93 3.497 10.880 -2.291 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.981 12.508 -1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.159 12.611 -3.182 1.00 0.00 H new ATOM 1486 N ALA A 94 -0.540 7.710 -2.774 1.00 0.00 N ATOM 1487 CA ALA A 94 -1.762 6.969 -2.510 1.00 0.00 C ATOM 1488 C ALA A 94 -1.490 5.475 -2.652 1.00 0.00 C ATOM 1489 O ALA A 94 -0.351 5.069 -2.889 1.00 0.00 O ATOM 1490 CB ALA A 94 -2.870 7.407 -3.461 1.00 0.00 C ATOM 0 H ALA A 94 0.151 7.187 -3.311 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.093 7.176 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.777 6.841 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.066 8.471 -3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.560 7.223 -4.490 1.00 0.00 H new ATOM 1496 N THR A 95 -2.520 4.656 -2.512 1.00 0.00 N ATOM 1497 CA THR A 95 -2.365 3.217 -2.657 1.00 0.00 C ATOM 1498 C THR A 95 -3.435 2.668 -3.591 1.00 0.00 C ATOM 1499 O THR A 95 -4.627 2.851 -3.350 1.00 0.00 O ATOM 1500 CB THR A 95 -2.455 2.511 -1.290 1.00 0.00 C ATOM 1501 OG1 THR A 95 -1.556 3.132 -0.362 1.00 0.00 O ATOM 1502 CG2 THR A 95 -2.117 1.031 -1.413 1.00 0.00 C ATOM 0 H THR A 95 -3.470 4.961 -2.299 1.00 0.00 H new ATOM 0 HA THR A 95 -1.380 3.023 -3.081 1.00 0.00 H new ATOM 0 HB THR A 95 -3.479 2.602 -0.928 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.618 2.681 0.506 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.189 0.559 -0.433 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.818 0.554 -2.098 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.102 0.920 -1.796 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.010 2.021 -4.665 1.00 0.00 N ATOM 1511 CA LEU A 96 -3.934 1.487 -5.650 1.00 0.00 C ATOM 1512 C LEU A 96 -4.248 0.027 -5.351 1.00 0.00 C ATOM 1513 O LEU A 96 -3.349 -0.759 -5.061 1.00 0.00 O ATOM 1514 CB LEU A 96 -3.333 1.627 -7.047 1.00 0.00 C ATOM 1515 CG LEU A 96 -2.932 3.049 -7.441 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -2.191 3.040 -8.766 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -4.162 3.942 -7.523 1.00 0.00 C ATOM 0 H LEU A 96 -2.026 1.853 -4.876 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.865 2.052 -5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.453 0.987 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.054 1.255 -7.775 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.266 3.448 -6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.912 4.059 -9.034 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.293 2.429 -8.676 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.836 2.625 -9.541 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.861 4.951 -7.804 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.849 3.547 -8.271 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.658 3.969 -6.553 1.00 0.00 H new ATOM 1529 N VAL A 97 -5.522 -0.330 -5.433 1.00 0.00 N ATOM 1530 CA VAL A 97 -5.967 -1.672 -5.080 1.00 0.00 C ATOM 1531 C VAL A 97 -6.210 -2.515 -6.331 1.00 0.00 C ATOM 1532 O VAL A 97 -7.076 -2.192 -7.153 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.260 -1.628 -4.236 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -7.680 -3.030 -3.812 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.075 -0.724 -3.024 1.00 0.00 C ATOM 0 H VAL A 97 -6.268 0.293 -5.742 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.173 -2.129 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.058 -1.213 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.593 -2.973 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.860 -3.639 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.888 -3.482 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.996 -0.705 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.262 -1.105 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.835 0.286 -3.357 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.440 -3.587 -6.471 1.00 0.00 N ATOM 1546 CA PHE A 98 -5.571 -4.489 -7.609 1.00 0.00 C ATOM 1547 C PHE A 98 -5.937 -5.888 -7.136 1.00 0.00 C ATOM 1548 O PHE A 98 -5.158 -6.538 -6.438 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.257 -4.562 -8.400 1.00 0.00 C ATOM 1550 CG PHE A 98 -3.775 -3.241 -8.933 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.081 -2.364 -8.117 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.010 -2.880 -10.248 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -2.633 -1.151 -8.602 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.562 -1.668 -10.739 1.00 0.00 C ATOM 1555 CZ PHE A 98 -2.874 -0.800 -9.913 1.00 0.00 C ATOM 0 H PHE A 98 -4.714 -3.854 -5.806 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.359 -4.099 -8.253 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.484 -4.984 -7.758 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.388 -5.250 -9.235 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.888 -2.632 -7.089 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.550 -3.553 -10.898 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.093 -0.477 -7.953 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.750 -1.400 -11.768 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.527 0.149 -10.293 1.00 0.00 H new ATOM 1565 N THR A 99 -7.118 -6.350 -7.506 1.00 0.00 N ATOM 1566 CA THR A 99 -7.530 -7.705 -7.188 1.00 0.00 C ATOM 1567 C THR A 99 -8.029 -8.381 -8.452 1.00 0.00 C ATOM 1568 O THR A 99 -8.530 -7.707 -9.356 1.00 0.00 O ATOM 1569 CB THR A 99 -8.639 -7.748 -6.113 1.00 0.00 C ATOM 1570 OG1 THR A 99 -9.849 -7.159 -6.619 1.00 0.00 O ATOM 1571 CG2 THR A 99 -8.208 -7.017 -4.848 1.00 0.00 C ATOM 0 H THR A 99 -7.808 -5.808 -8.026 1.00 0.00 H new ATOM 0 HA THR A 99 -6.663 -8.228 -6.783 1.00 0.00 H new ATOM 0 HB THR A 99 -8.820 -8.794 -5.865 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.544 -7.194 -5.929 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.009 -7.064 -4.110 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.313 -7.488 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.994 -5.975 -5.085 1.00 0.00 H new ATOM 1579 N ASP A 100 -7.870 -9.698 -8.526 1.00 0.00 N ATOM 1580 CA ASP A 100 -8.314 -10.476 -9.689 1.00 0.00 C ATOM 1581 C ASP A 100 -7.475 -10.157 -10.920 1.00 0.00 C ATOM 1582 O ASP A 100 -7.816 -10.552 -12.037 1.00 0.00 O ATOM 1583 CB ASP A 100 -9.783 -10.197 -10.021 1.00 0.00 C ATOM 1584 CG ASP A 100 -10.748 -10.646 -8.948 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -11.061 -9.834 -8.047 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -11.235 -11.794 -9.028 1.00 0.00 O ATOM 0 H ASP A 100 -7.435 -10.257 -7.792 1.00 0.00 H new ATOM 0 HA ASP A 100 -8.193 -11.526 -9.424 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -9.911 -9.127 -10.187 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -10.036 -10.697 -10.956 1.00 0.00 H new ATOM 1591 N GLY A 101 -6.372 -9.461 -10.706 1.00 0.00 N ATOM 1592 CA GLY A 101 -5.579 -8.960 -11.810 1.00 0.00 C ATOM 1593 C GLY A 101 -6.196 -7.721 -12.431 1.00 0.00 C ATOM 1594 O GLY A 101 -5.810 -7.309 -13.524 1.00 0.00 O ATOM 0 H GLY A 101 -6.008 -9.232 -9.781 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.573 -8.728 -11.459 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.481 -9.736 -12.569 1.00 0.00 H new ATOM 1598 N LYS A 102 -7.165 -7.135 -11.733 1.00 0.00 N ATOM 1599 CA LYS A 102 -7.886 -5.970 -12.231 1.00 0.00 C ATOM 1600 C LYS A 102 -7.793 -4.808 -11.242 1.00 0.00 C ATOM 1601 O LYS A 102 -7.786 -5.014 -10.027 1.00 0.00 O ATOM 1602 CB LYS A 102 -9.354 -6.345 -12.458 1.00 0.00 C ATOM 1603 CG LYS A 102 -9.531 -7.541 -13.383 1.00 0.00 C ATOM 1604 CD LYS A 102 -10.923 -8.142 -13.274 1.00 0.00 C ATOM 1605 CE LYS A 102 -11.034 -9.408 -14.110 1.00 0.00 C ATOM 1606 NZ LYS A 102 -12.322 -10.116 -13.894 1.00 0.00 N ATOM 0 H LYS A 102 -7.470 -7.452 -10.813 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.435 -5.652 -13.171 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.819 -6.565 -11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.881 -5.488 -12.878 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.348 -7.234 -14.413 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.788 -8.301 -13.140 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.145 -8.369 -12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.664 -7.415 -13.607 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.934 -9.154 -15.165 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.209 -10.076 -13.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.351 -10.972 -14.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.407 -10.383 -12.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.110 -9.489 -14.153 1.00 0.00 H new ATOM 1620 N LEU A 103 -7.718 -3.590 -11.763 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.667 -2.400 -10.923 1.00 0.00 C ATOM 1622 C LEU A 103 -9.058 -2.056 -10.404 1.00 0.00 C ATOM 1623 O LEU A 103 -9.994 -1.857 -11.177 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.078 -1.217 -11.702 1.00 0.00 C ATOM 1625 CG LEU A 103 -7.073 0.128 -10.960 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.285 0.039 -9.661 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.503 1.225 -11.850 1.00 0.00 C ATOM 0 H LEU A 103 -7.691 -3.400 -12.765 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.020 -2.607 -10.070 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.053 -1.462 -11.980 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.640 -1.099 -12.628 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.105 0.376 -10.712 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.300 1.007 -9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.735 -0.713 -9.013 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.254 -0.241 -9.879 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.507 2.171 -11.309 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.481 0.971 -12.131 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.113 1.318 -12.748 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.188 -2.002 -9.087 1.00 0.00 N ATOM 1640 CA ARG A 104 -10.465 -1.692 -8.463 1.00 0.00 C ATOM 1641 C ARG A 104 -10.581 -0.203 -8.194 1.00 0.00 C ATOM 1642 O ARG A 104 -11.626 0.401 -8.423 1.00 0.00 O ATOM 1643 CB ARG A 104 -10.619 -2.465 -7.155 1.00 0.00 C ATOM 1644 CG ARG A 104 -10.581 -3.970 -7.334 1.00 0.00 C ATOM 1645 CD ARG A 104 -11.677 -4.439 -8.272 1.00 0.00 C ATOM 1646 NE ARG A 104 -11.649 -5.884 -8.455 1.00 0.00 N ATOM 1647 CZ ARG A 104 -12.583 -6.564 -9.114 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -13.611 -5.928 -9.667 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -12.492 -7.881 -9.219 1.00 0.00 N ATOM 0 H ARG A 104 -8.425 -2.169 -8.430 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.259 -1.989 -9.148 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.824 -2.168 -6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.563 -2.186 -6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.609 -4.267 -7.728 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.695 -4.457 -6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.648 -4.141 -7.875 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.564 -3.948 -9.238 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.868 -6.404 -8.055 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.686 -4.914 -9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.325 -6.454 -10.171 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.706 -8.373 -8.795 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.208 -8.403 -9.724 1.00 0.00 H new ATOM 1663 N GLY A 105 -9.495 0.380 -7.716 1.00 0.00 N ATOM 1664 CA GLY A 105 -9.493 1.784 -7.380 1.00 0.00 C ATOM 1665 C GLY A 105 -8.335 2.130 -6.473 1.00 0.00 C ATOM 1666 O GLY A 105 -7.283 1.492 -6.541 1.00 0.00 O ATOM 0 H GLY A 105 -8.609 -0.099 -7.554 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.434 2.378 -8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.431 2.044 -6.890 1.00 0.00 H new ATOM 1670 N ALA A 106 -8.527 3.116 -5.612 1.00 0.00 N ATOM 1671 CA ALA A 106 -7.479 3.549 -4.703 1.00 0.00 C ATOM 1672 C ALA A 106 -7.970 3.527 -3.264 1.00 0.00 C ATOM 1673 O ALA A 106 -9.170 3.640 -3.006 1.00 0.00 O ATOM 1674 CB ALA A 106 -6.995 4.942 -5.077 1.00 0.00 C ATOM 0 H ALA A 106 -9.402 3.633 -5.524 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.643 2.855 -4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.210 5.252 -4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -6.601 4.930 -6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.827 5.644 -5.019 1.00 0.00 H new ATOM 1680 N LEU A 107 -7.044 3.375 -2.332 1.00 0.00 N ATOM 1681 CA LEU A 107 -7.377 3.379 -0.924 1.00 0.00 C ATOM 1682 C LEU A 107 -7.369 4.820 -0.433 1.00 0.00 C ATOM 1683 O LEU A 107 -6.321 5.364 -0.081 1.00 0.00 O ATOM 1684 CB LEU A 107 -6.367 2.525 -0.143 1.00 0.00 C ATOM 1685 CG LEU A 107 -6.882 1.878 1.152 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -7.243 2.930 2.193 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -8.078 0.981 0.860 1.00 0.00 C ATOM 0 H LEU A 107 -6.052 3.247 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.366 2.949 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.006 1.734 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.509 3.150 0.104 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.079 1.267 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.604 2.439 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.361 3.524 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.023 3.580 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.430 0.531 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.878 1.574 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.782 0.195 0.165 1.00 0.00 H new ATOM 1699 N SER A 108 -8.529 5.454 -0.463 1.00 0.00 N ATOM 1700 CA SER A 108 -8.633 6.852 -0.093 1.00 0.00 C ATOM 1701 C SER A 108 -9.891 7.112 0.727 1.00 0.00 C ATOM 1702 O SER A 108 -10.986 7.255 0.178 1.00 0.00 O ATOM 1703 CB SER A 108 -8.628 7.724 -1.350 1.00 0.00 C ATOM 1704 OG SER A 108 -7.481 7.459 -2.139 1.00 0.00 O ATOM 0 H SER A 108 -9.410 5.022 -0.740 1.00 0.00 H new ATOM 0 HA SER A 108 -7.772 7.108 0.525 1.00 0.00 H new ATOM 0 HB2 SER A 108 -9.529 7.534 -1.934 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.646 8.777 -1.068 1.00 0.00 H new ATOM 0 HG SER A 108 -7.496 8.025 -2.939 1.00 0.00 H new ATOM 1710 N GLY A 109 -9.727 7.143 2.041 1.00 0.00 N ATOM 1711 CA GLY A 109 -10.827 7.481 2.923 1.00 0.00 C ATOM 1712 C GLY A 109 -10.659 8.866 3.508 1.00 0.00 C ATOM 1713 O GLY A 109 -9.532 9.338 3.679 1.00 0.00 O ATOM 0 H GLY A 109 -8.847 6.939 2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.766 7.428 2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -10.888 6.749 3.728 1.00 0.00 H new ATOM 1717 N ILE A 110 -11.767 9.521 3.815 1.00 0.00 N ATOM 1718 CA ILE A 110 -11.724 10.874 4.356 1.00 0.00 C ATOM 1719 C ILE A 110 -11.780 10.831 5.876 1.00 0.00 C ATOM 1720 O ILE A 110 -11.576 11.837 6.558 1.00 0.00 O ATOM 1721 CB ILE A 110 -12.880 11.747 3.819 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -14.240 11.144 4.192 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -12.756 11.904 2.309 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -15.423 11.976 3.743 1.00 0.00 C ATOM 0 H ILE A 110 -12.706 9.141 3.700 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.786 11.325 4.033 1.00 0.00 H new ATOM 0 HB ILE A 110 -12.814 12.732 4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -14.319 10.150 3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -14.286 11.018 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -13.575 12.521 1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -11.806 12.381 2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.799 10.923 1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -16.348 11.484 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -15.370 12.962 4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -15.403 12.081 2.658 1.00 0.00 H new ATOM 1736 N HIS A 111 -12.071 9.651 6.395 1.00 0.00 N ATOM 1737 CA HIS A 111 -12.073 9.413 7.825 1.00 0.00 C ATOM 1738 C HIS A 111 -11.149 8.235 8.122 1.00 0.00 C ATOM 1739 O HIS A 111 -11.241 7.205 7.462 1.00 0.00 O ATOM 1740 CB HIS A 111 -13.503 9.137 8.307 1.00 0.00 C ATOM 1741 CG HIS A 111 -13.702 9.279 9.785 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -13.970 8.355 10.736 1.00 0.00 N flip ATOM 1743 CD2 HIS A 111 -13.657 10.489 10.436 1.00 0.00 C flip ATOM 1744 CE1 HIS A 111 -14.087 9.017 11.933 1.00 0.00 C flip ATOM 1745 NE2 HIS A 111 -13.893 10.304 11.720 1.00 0.00 N flip ATOM 0 H HIS A 111 -12.312 8.832 5.836 1.00 0.00 H new ATOM 0 HA HIS A 111 -11.710 10.292 8.358 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -14.183 9.818 7.795 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -13.783 8.126 8.012 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -14.067 7.350 10.590 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -13.459 11.442 9.969 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -14.302 8.561 12.888 1.00 0.00 H new ATOM 1754 N PRO A 112 -10.230 8.392 9.102 1.00 0.00 N ATOM 1755 CA PRO A 112 -9.186 7.396 9.410 1.00 0.00 C ATOM 1756 C PRO A 112 -9.672 5.945 9.384 1.00 0.00 C ATOM 1757 O PRO A 112 -9.049 5.090 8.759 1.00 0.00 O ATOM 1758 CB PRO A 112 -8.754 7.788 10.817 1.00 0.00 C ATOM 1759 CG PRO A 112 -8.947 9.264 10.869 1.00 0.00 C ATOM 1760 CD PRO A 112 -10.129 9.571 9.986 1.00 0.00 C ATOM 0 HA PRO A 112 -8.392 7.413 8.663 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -9.356 7.282 11.572 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -7.715 7.517 11.003 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -9.129 9.596 11.891 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -8.056 9.785 10.519 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -11.038 9.711 10.571 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -9.974 10.486 9.415 1.00 0.00 H new ATOM 1768 N TRP A 113 -10.777 5.670 10.065 1.00 0.00 N ATOM 1769 CA TRP A 113 -11.356 4.333 10.054 1.00 0.00 C ATOM 1770 C TRP A 113 -12.882 4.428 10.012 1.00 0.00 C ATOM 1771 O TRP A 113 -13.427 5.493 9.709 1.00 0.00 O ATOM 1772 CB TRP A 113 -10.895 3.534 11.281 1.00 0.00 C ATOM 1773 CG TRP A 113 -10.578 2.100 10.973 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -11.468 1.081 10.780 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -9.275 1.521 10.838 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -10.800 -0.087 10.514 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -9.452 0.155 10.547 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -7.976 2.028 10.927 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -8.382 -0.708 10.347 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -6.911 1.168 10.731 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -7.121 -0.187 10.442 1.00 0.00 C ATOM 0 H TRP A 113 -11.287 6.350 10.628 1.00 0.00 H new ATOM 0 HA TRP A 113 -11.013 3.808 9.163 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.011 4.011 11.705 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -11.674 3.571 12.043 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.542 1.181 10.830 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -11.236 -0.989 10.323 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -7.807 3.072 11.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.540 -1.753 10.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.902 1.546 10.802 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.269 -0.834 10.291 1.00 0.00 H new ATOM 1792 N ALA A 114 -13.555 3.312 10.315 1.00 0.00 N ATOM 1793 CA ALA A 114 -15.018 3.208 10.271 1.00 0.00 C ATOM 1794 C ALA A 114 -15.533 3.216 8.832 1.00 0.00 C ATOM 1795 O ALA A 114 -16.031 2.203 8.340 1.00 0.00 O ATOM 1796 CB ALA A 114 -15.676 4.309 11.098 1.00 0.00 C ATOM 0 H ALA A 114 -13.095 2.448 10.600 1.00 0.00 H new ATOM 0 HA ALA A 114 -15.293 2.251 10.715 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -16.760 4.205 11.046 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.353 4.227 12.136 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -15.385 5.283 10.704 1.00 0.00 H new ATOM 1802 N GLU A 115 -15.377 4.345 8.148 1.00 0.00 N ATOM 1803 CA GLU A 115 -15.860 4.491 6.780 1.00 0.00 C ATOM 1804 C GLU A 115 -15.087 3.581 5.828 1.00 0.00 C ATOM 1805 O GLU A 115 -15.579 3.236 4.756 1.00 0.00 O ATOM 1806 CB GLU A 115 -15.758 5.951 6.335 1.00 0.00 C ATOM 1807 CG GLU A 115 -14.353 6.520 6.428 1.00 0.00 C ATOM 1808 CD GLU A 115 -13.739 6.804 5.075 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -13.188 5.872 4.464 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -13.807 7.968 4.624 1.00 0.00 O ATOM 0 H GLU A 115 -14.918 5.176 8.521 1.00 0.00 H new ATOM 0 HA GLU A 115 -16.908 4.192 6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -16.106 6.033 5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -16.427 6.556 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -14.378 7.441 7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.718 5.818 6.969 1.00 0.00 H new ATOM 1817 N LEU A 116 -13.882 3.187 6.242 1.00 0.00 N ATOM 1818 CA LEU A 116 -13.056 2.254 5.486 1.00 0.00 C ATOM 1819 C LEU A 116 -13.839 1.008 5.091 1.00 0.00 C ATOM 1820 O LEU A 116 -13.619 0.448 4.021 1.00 0.00 O ATOM 1821 CB LEU A 116 -11.837 1.853 6.318 1.00 0.00 C ATOM 1822 CG LEU A 116 -10.495 2.333 5.773 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -9.395 2.102 6.796 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -10.164 1.616 4.471 1.00 0.00 C ATOM 0 H LEU A 116 -13.454 3.507 7.111 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.734 2.754 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.962 2.243 7.328 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.812 0.766 6.397 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.565 3.402 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.444 2.450 6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.625 2.653 7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.326 1.038 7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.204 1.969 4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.111 0.542 4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.940 1.823 3.734 1.00 0.00 H new ATOM 1836 N LEU A 117 -14.758 0.584 5.950 1.00 0.00 N ATOM 1837 CA LEU A 117 -15.570 -0.593 5.675 1.00 0.00 C ATOM 1838 C LEU A 117 -16.557 -0.301 4.551 1.00 0.00 C ATOM 1839 O LEU A 117 -16.738 -1.112 3.643 1.00 0.00 O ATOM 1840 CB LEU A 117 -16.319 -1.027 6.938 1.00 0.00 C ATOM 1841 CG LEU A 117 -15.429 -1.380 8.134 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -16.277 -1.738 9.345 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -14.487 -2.525 7.783 1.00 0.00 C ATOM 0 H LEU A 117 -14.959 1.037 6.841 1.00 0.00 H new ATOM 0 HA LEU A 117 -14.914 -1.405 5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -16.996 -0.226 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -16.936 -1.893 6.696 1.00 0.00 H new ATOM 0 HG LEU A 117 -14.828 -0.506 8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -15.627 -1.986 10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -16.907 -0.889 9.612 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -16.906 -2.596 9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -13.863 -2.761 8.645 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -15.070 -3.403 7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -13.853 -2.231 6.946 1.00 0.00 H new ATOM 1855 N THR A 118 -17.175 0.870 4.612 1.00 0.00 N ATOM 1856 CA THR A 118 -18.153 1.276 3.616 1.00 0.00 C ATOM 1857 C THR A 118 -17.483 1.503 2.261 1.00 0.00 C ATOM 1858 O THR A 118 -18.001 1.086 1.223 1.00 0.00 O ATOM 1859 CB THR A 118 -18.880 2.560 4.066 1.00 0.00 C ATOM 1860 OG1 THR A 118 -19.341 2.400 5.418 1.00 0.00 O ATOM 1861 CG2 THR A 118 -20.062 2.872 3.156 1.00 0.00 C ATOM 0 H THR A 118 -17.014 1.559 5.347 1.00 0.00 H new ATOM 0 HA THR A 118 -18.884 0.474 3.513 1.00 0.00 H new ATOM 0 HB THR A 118 -18.177 3.391 4.008 1.00 0.00 H new ATOM 0 HG1 THR A 118 -19.802 3.216 5.705 1.00 0.00 H new ATOM 0 HG21 THR A 118 -20.554 3.782 3.498 1.00 0.00 H new ATOM 0 HG22 THR A 118 -19.708 3.013 2.135 1.00 0.00 H new ATOM 0 HG23 THR A 118 -20.770 2.044 3.183 1.00 0.00 H new ATOM 1869 N LEU A 119 -16.327 2.157 2.278 1.00 0.00 N ATOM 1870 CA LEU A 119 -15.542 2.362 1.071 1.00 0.00 C ATOM 1871 C LEU A 119 -15.103 1.027 0.487 1.00 0.00 C ATOM 1872 O LEU A 119 -15.264 0.778 -0.711 1.00 0.00 O ATOM 1873 CB LEU A 119 -14.318 3.225 1.384 1.00 0.00 C ATOM 1874 CG LEU A 119 -14.546 4.738 1.387 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -14.719 5.251 -0.032 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -15.749 5.125 2.234 1.00 0.00 C ATOM 0 H LEU A 119 -15.913 2.556 3.121 1.00 0.00 H new ATOM 0 HA LEU A 119 -16.162 2.875 0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.933 2.934 2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.541 2.996 0.655 1.00 0.00 H new ATOM 0 HG LEU A 119 -13.664 5.201 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -14.880 6.329 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -13.823 5.029 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -15.578 4.764 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -15.877 6.207 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -16.643 4.645 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -15.589 4.801 3.262 1.00 0.00 H new ATOM 1888 N MET A 120 -14.562 0.173 1.350 1.00 0.00 N ATOM 1889 CA MET A 120 -14.106 -1.161 0.956 1.00 0.00 C ATOM 1890 C MET A 120 -15.216 -1.940 0.250 1.00 0.00 C ATOM 1891 O MET A 120 -14.949 -2.708 -0.671 1.00 0.00 O ATOM 1892 CB MET A 120 -13.623 -1.941 2.182 1.00 0.00 C ATOM 1893 CG MET A 120 -12.908 -3.240 1.843 1.00 0.00 C ATOM 1894 SD MET A 120 -11.364 -2.976 0.947 1.00 0.00 S ATOM 1895 CE MET A 120 -10.440 -2.012 2.139 1.00 0.00 C ATOM 0 H MET A 120 -14.426 0.382 2.339 1.00 0.00 H new ATOM 0 HA MET A 120 -13.278 -1.038 0.258 1.00 0.00 H new ATOM 0 HB2 MET A 120 -12.951 -1.308 2.762 1.00 0.00 H new ATOM 0 HB3 MET A 120 -14.479 -2.164 2.819 1.00 0.00 H new ATOM 0 HG2 MET A 120 -12.700 -3.786 2.763 1.00 0.00 H new ATOM 0 HG3 MET A 120 -13.568 -3.867 1.243 1.00 0.00 H new ATOM 0 HE1 MET A 120 -9.377 -2.068 1.907 1.00 0.00 H new ATOM 0 HE2 MET A 120 -10.766 -0.973 2.097 1.00 0.00 H new ATOM 0 HE3 MET A 120 -10.614 -2.407 3.140 1.00 0.00 H new ATOM 1905 N ARG A 121 -16.457 -1.731 0.682 1.00 0.00 N ATOM 1906 CA ARG A 121 -17.611 -2.367 0.073 1.00 0.00 C ATOM 1907 C ARG A 121 -17.652 -2.122 -1.430 1.00 0.00 C ATOM 1908 O ARG A 121 -17.775 -3.051 -2.220 1.00 0.00 O ATOM 1909 CB ARG A 121 -18.881 -1.816 0.700 1.00 0.00 C ATOM 1910 CG ARG A 121 -19.156 -2.308 2.112 1.00 0.00 C ATOM 1911 CD ARG A 121 -20.491 -1.788 2.620 1.00 0.00 C ATOM 1912 NE ARG A 121 -20.660 -1.981 4.061 1.00 0.00 N ATOM 1913 CZ ARG A 121 -21.677 -2.640 4.616 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -22.558 -3.276 3.858 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -21.790 -2.692 5.938 1.00 0.00 N ATOM 0 H ARG A 121 -16.686 -1.116 1.463 1.00 0.00 H new ATOM 0 HA ARG A 121 -17.536 -3.441 0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -18.821 -0.728 0.714 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.727 -2.080 0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -19.157 -3.398 2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -18.357 -1.980 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -20.575 -0.726 2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -21.299 -2.295 2.092 1.00 0.00 H new ATOM 0 HE ARG A 121 -19.953 -1.585 4.681 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -22.460 -3.263 2.843 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -23.334 -3.778 4.290 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -21.099 -2.228 6.528 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -22.568 -3.196 6.364 1.00 0.00 H new ATOM 1929 N SER A 122 -17.562 -0.859 -1.810 1.00 0.00 N ATOM 1930 CA SER A 122 -17.567 -0.477 -3.217 1.00 0.00 C ATOM 1931 C SER A 122 -16.307 -0.974 -3.929 1.00 0.00 C ATOM 1932 O SER A 122 -16.364 -1.373 -5.093 1.00 0.00 O ATOM 1933 CB SER A 122 -17.686 1.046 -3.354 1.00 0.00 C ATOM 1934 OG SER A 122 -17.784 1.439 -4.717 1.00 0.00 O ATOM 0 H SER A 122 -17.484 -0.075 -1.162 1.00 0.00 H new ATOM 0 HA SER A 122 -18.430 -0.945 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 122 -18.564 1.394 -2.810 1.00 0.00 H new ATOM 0 HB3 SER A 122 -16.818 1.523 -2.898 1.00 0.00 H new ATOM 0 HG SER A 122 -17.860 2.415 -4.772 1.00 0.00 H new ATOM 1940 N ILE A 123 -15.176 -0.953 -3.228 1.00 0.00 N ATOM 1941 CA ILE A 123 -13.903 -1.358 -3.816 1.00 0.00 C ATOM 1942 C ILE A 123 -13.891 -2.853 -4.137 1.00 0.00 C ATOM 1943 O ILE A 123 -13.567 -3.257 -5.256 1.00 0.00 O ATOM 1944 CB ILE A 123 -12.720 -1.026 -2.877 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -12.662 0.480 -2.605 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -11.408 -1.508 -3.480 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -11.581 0.876 -1.625 1.00 0.00 C ATOM 0 H ILE A 123 -15.116 -0.660 -2.253 1.00 0.00 H new ATOM 0 HA ILE A 123 -13.788 -0.796 -4.743 1.00 0.00 H new ATOM 0 HB ILE A 123 -12.874 -1.544 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -12.498 1.005 -3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -13.628 0.809 -2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -10.587 -1.266 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -11.450 -2.587 -3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -11.246 -1.017 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.599 1.956 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.755 0.379 -0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.608 0.578 -2.016 1.00 0.00 H new ATOM 1959 N VAL A 124 -14.266 -3.663 -3.158 1.00 0.00 N ATOM 1960 CA VAL A 124 -14.305 -5.106 -3.323 1.00 0.00 C ATOM 1961 C VAL A 124 -15.604 -5.667 -2.758 1.00 0.00 C ATOM 1962 O VAL A 124 -15.637 -6.243 -1.668 1.00 0.00 O ATOM 1963 CB VAL A 124 -13.092 -5.806 -2.664 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -11.834 -5.594 -3.489 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -12.873 -5.308 -1.241 1.00 0.00 C ATOM 0 H VAL A 124 -14.550 -3.340 -2.233 1.00 0.00 H new ATOM 0 HA VAL A 124 -14.256 -5.309 -4.393 1.00 0.00 H new ATOM 0 HB VAL A 124 -13.310 -6.873 -2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.994 -6.095 -3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -11.979 -6.008 -4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -11.625 -4.527 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.014 -5.818 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -12.688 -4.234 -1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -13.760 -5.515 -0.643 1.00 0.00 H new ATOM 1975 N ASP A 125 -16.683 -5.459 -3.509 1.00 0.00 N ATOM 1976 CA ASP A 125 -18.019 -5.902 -3.103 1.00 0.00 C ATOM 1977 C ASP A 125 -18.018 -7.375 -2.727 1.00 0.00 C ATOM 1978 O ASP A 125 -18.496 -7.745 -1.655 1.00 0.00 O ATOM 1979 CB ASP A 125 -19.029 -5.657 -4.227 1.00 0.00 C ATOM 1980 CG ASP A 125 -20.430 -6.112 -3.864 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -21.117 -5.393 -3.105 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -20.850 -7.187 -4.339 1.00 0.00 O ATOM 0 H ASP A 125 -16.659 -4.982 -4.410 1.00 0.00 H new ATOM 0 HA ASP A 125 -18.309 -5.321 -2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -19.048 -4.594 -4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -18.702 -6.182 -5.125 1.00 0.00 H new