USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 632 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 CYS SG : rot 170:sc= 0 USER MOD Set 1.2: A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 46 THR OG1 : rot -114:sc= 0.898 USER MOD Set 2.2: A 63 THR OG1 : rot -57:sc= 0.0425 USER MOD Set 2.3: A 82 HIS : no HE2:sc= 0.621 K(o=1.6,f=-0.17) USER MOD Set 3.1: A 14 HIS : no HD1:sc= 0 X(o=-0.055,f=-0.055) USER MOD Set 3.2: A 48 GLN : amide:sc= -0.0551 X(o=-0.055,f=-0.055) USER MOD Set 4.1: A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.0079) USER MOD Single : A 30 SER OG : rot -37:sc= 0.0138 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.37) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc=-0.00503 K(o=-0.005,f=-0.96) USER MOD Single : A 53 ASN : amide:sc= -0.0948 K(o=-0.095,f=-3.8!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.193 K(o=-0.19,f=-2.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.697 K(o=0.7,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.0127 K(o=-0.013,f=-1.7!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.247 K(o=-0.25,f=-3.6!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.81) USER MOD Single : A 83 SER OG : rot -168:sc= 0.729 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N LEU A 12 2.963 -19.968 -14.028 1.00 0.00 N ATOM 152 CA LEU A 12 3.405 -21.328 -13.682 1.00 0.00 C ATOM 153 C LEU A 12 2.907 -22.343 -14.739 1.00 0.00 C ATOM 154 O LEU A 12 1.888 -22.078 -15.390 1.00 0.00 O ATOM 155 CB LEU A 12 2.898 -21.731 -12.270 1.00 0.00 C ATOM 156 CG LEU A 12 2.822 -20.624 -11.194 1.00 0.00 C ATOM 157 CD1 LEU A 12 1.436 -19.963 -11.161 1.00 0.00 C ATOM 158 CD2 LEU A 12 3.067 -21.197 -9.799 1.00 0.00 C ATOM 0 HA LEU A 12 4.495 -21.339 -13.671 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.902 -22.161 -12.381 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.547 -22.522 -11.893 1.00 0.00 H new ATOM 0 HG LEU A 12 3.587 -19.894 -11.457 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.420 -19.190 -10.393 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.224 -19.515 -12.132 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.680 -20.715 -10.935 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.008 -20.397 -9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.312 -21.951 -9.578 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.057 -21.653 -9.761 1.00 0.00 H new ATOM 170 N PRO A 13 3.564 -23.507 -14.912 1.00 0.00 N ATOM 171 CA PRO A 13 3.090 -24.572 -15.800 1.00 0.00 C ATOM 172 C PRO A 13 1.873 -25.325 -15.223 1.00 0.00 C ATOM 173 O PRO A 13 1.560 -25.231 -14.033 1.00 0.00 O ATOM 174 CB PRO A 13 4.299 -25.499 -15.978 1.00 0.00 C ATOM 175 CG PRO A 13 5.045 -25.361 -14.653 1.00 0.00 C ATOM 176 CD PRO A 13 4.825 -23.892 -14.291 1.00 0.00 C ATOM 0 HA PRO A 13 2.735 -24.170 -16.749 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.993 -26.529 -16.162 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.918 -25.195 -16.822 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.644 -26.030 -13.891 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.104 -25.597 -14.759 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.784 -23.759 -13.210 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.644 -23.273 -14.657 1.00 0.00 H new ATOM 184 N HIS A 14 1.226 -26.131 -16.071 1.00 0.00 N ATOM 185 CA HIS A 14 0.070 -26.985 -15.745 1.00 0.00 C ATOM 186 C HIS A 14 0.295 -28.466 -16.138 1.00 0.00 C ATOM 187 O HIS A 14 -0.657 -29.232 -16.293 1.00 0.00 O ATOM 188 CB HIS A 14 -1.201 -26.385 -16.378 1.00 0.00 C ATOM 189 CG HIS A 14 -1.532 -24.990 -15.900 1.00 0.00 C ATOM 190 ND1 HIS A 14 -2.027 -24.651 -14.657 1.00 0.00 N ATOM 191 CD2 HIS A 14 -1.402 -23.836 -16.625 1.00 0.00 C ATOM 192 CE1 HIS A 14 -2.184 -23.314 -14.628 1.00 0.00 C ATOM 193 NE2 HIS A 14 -1.831 -22.779 -15.810 1.00 0.00 N ATOM 0 H HIS A 14 1.504 -26.212 -17.049 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.058 -27.000 -14.663 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -1.080 -26.367 -17.461 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.045 -27.041 -16.163 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.036 -23.755 -17.638 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.542 -22.752 -13.778 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -1.868 -21.792 -16.065 1.00 0.00 H new ATOM 201 N ASP A 15 1.556 -28.881 -16.315 1.00 0.00 N ATOM 202 CA ASP A 15 1.966 -30.231 -16.746 1.00 0.00 C ATOM 203 C ASP A 15 2.964 -30.888 -15.773 1.00 0.00 C ATOM 204 O ASP A 15 2.785 -32.047 -15.392 1.00 0.00 O ATOM 205 CB ASP A 15 2.570 -30.166 -18.158 1.00 0.00 C ATOM 206 CG ASP A 15 1.529 -29.788 -19.225 1.00 0.00 C ATOM 207 OD1 ASP A 15 0.775 -30.682 -19.680 1.00 0.00 O ATOM 208 OD2 ASP A 15 1.479 -28.602 -19.633 1.00 0.00 O ATOM 0 H ASP A 15 2.353 -28.264 -16.157 1.00 0.00 H new ATOM 0 HA ASP A 15 1.071 -30.854 -16.752 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.380 -29.437 -18.170 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.008 -31.133 -18.408 1.00 0.00 H new ATOM 213 N ARG A 16 4.003 -30.148 -15.356 1.00 0.00 N ATOM 214 CA ARG A 16 5.040 -30.578 -14.400 1.00 0.00 C ATOM 215 C ARG A 16 4.825 -29.950 -13.020 1.00 0.00 C ATOM 216 O ARG A 16 4.381 -28.806 -12.908 1.00 0.00 O ATOM 217 CB ARG A 16 6.430 -30.180 -14.941 1.00 0.00 C ATOM 218 CG ARG A 16 6.835 -30.888 -16.248 1.00 0.00 C ATOM 219 CD ARG A 16 7.223 -32.358 -16.029 1.00 0.00 C ATOM 220 NE ARG A 16 7.484 -33.053 -17.306 1.00 0.00 N ATOM 221 CZ ARG A 16 8.551 -32.970 -18.086 1.00 0.00 C ATOM 222 NH1 ARG A 16 9.573 -32.215 -17.796 1.00 0.00 N ATOM 223 NH2 ARG A 16 8.608 -33.655 -19.192 1.00 0.00 N ATOM 0 H ARG A 16 4.151 -29.195 -15.688 1.00 0.00 H new ATOM 0 HA ARG A 16 4.976 -31.661 -14.290 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.446 -29.103 -15.106 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.178 -30.397 -14.179 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.008 -30.836 -16.956 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.674 -30.358 -16.699 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.111 -32.409 -15.399 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.423 -32.869 -15.494 1.00 0.00 H new ATOM 0 HE ARG A 16 6.746 -33.679 -17.629 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.570 -31.659 -16.941 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.376 -32.180 -18.424 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.830 -34.257 -19.459 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.431 -33.589 -19.791 1.00 0.00 H new ATOM 237 N MET A 17 5.197 -30.684 -11.971 1.00 0.00 N ATOM 238 CA MET A 17 5.283 -30.185 -10.592 1.00 0.00 C ATOM 239 C MET A 17 6.478 -29.226 -10.438 1.00 0.00 C ATOM 240 O MET A 17 7.630 -29.621 -10.631 1.00 0.00 O ATOM 241 CB MET A 17 5.339 -31.358 -9.589 1.00 0.00 C ATOM 242 CG MET A 17 6.418 -32.412 -9.880 1.00 0.00 C ATOM 243 SD MET A 17 6.516 -33.742 -8.658 1.00 0.00 S ATOM 244 CE MET A 17 7.982 -34.590 -9.308 1.00 0.00 C ATOM 0 H MET A 17 5.454 -31.667 -12.056 1.00 0.00 H new ATOM 0 HA MET A 17 4.382 -29.615 -10.366 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.507 -30.954 -8.591 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.367 -31.850 -9.574 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.226 -32.849 -10.860 1.00 0.00 H new ATOM 0 HG3 MET A 17 7.387 -31.916 -9.937 1.00 0.00 H new ATOM 0 HE1 MET A 17 8.210 -35.453 -8.683 1.00 0.00 H new ATOM 0 HE2 MET A 17 7.788 -34.922 -10.328 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.830 -33.905 -9.305 1.00 0.00 H new ATOM 254 N THR A 18 6.223 -27.953 -10.125 1.00 0.00 N ATOM 255 CA THR A 18 7.296 -26.995 -9.800 1.00 0.00 C ATOM 256 C THR A 18 7.868 -27.254 -8.402 1.00 0.00 C ATOM 257 O THR A 18 7.195 -27.792 -7.514 1.00 0.00 O ATOM 258 CB THR A 18 6.828 -25.532 -9.888 1.00 0.00 C ATOM 259 OG1 THR A 18 5.853 -25.260 -8.909 1.00 0.00 O ATOM 260 CG2 THR A 18 6.238 -25.183 -11.251 1.00 0.00 C ATOM 0 H THR A 18 5.284 -27.557 -10.088 1.00 0.00 H new ATOM 0 HA THR A 18 8.073 -27.151 -10.549 1.00 0.00 H new ATOM 0 HB THR A 18 7.718 -24.924 -9.726 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.570 -24.325 -8.980 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.925 -24.139 -11.255 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.990 -25.339 -12.024 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.377 -25.821 -11.449 1.00 0.00 H new ATOM 268 N SER A 19 9.109 -26.819 -8.172 1.00 0.00 N ATOM 269 CA SER A 19 9.736 -26.840 -6.843 1.00 0.00 C ATOM 270 C SER A 19 9.070 -25.877 -5.848 1.00 0.00 C ATOM 271 O SER A 19 9.109 -26.132 -4.645 1.00 0.00 O ATOM 272 CB SER A 19 11.231 -26.530 -6.958 1.00 0.00 C ATOM 273 OG SER A 19 11.438 -25.298 -7.638 1.00 0.00 O ATOM 0 H SER A 19 9.712 -26.441 -8.903 1.00 0.00 H new ATOM 0 HA SER A 19 9.597 -27.846 -6.447 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.675 -26.481 -5.964 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.734 -27.335 -7.493 1.00 0.00 H new ATOM 0 HG SER A 19 12.399 -25.116 -7.700 1.00 0.00 H new ATOM 279 N GLN A 20 8.416 -24.807 -6.321 1.00 0.00 N ATOM 280 CA GLN A 20 7.749 -23.810 -5.473 1.00 0.00 C ATOM 281 C GLN A 20 6.633 -24.425 -4.616 1.00 0.00 C ATOM 282 O GLN A 20 6.520 -24.089 -3.437 1.00 0.00 O ATOM 283 CB GLN A 20 7.230 -22.643 -6.334 1.00 0.00 C ATOM 284 CG GLN A 20 6.769 -21.416 -5.515 1.00 0.00 C ATOM 285 CD GLN A 20 5.252 -21.338 -5.312 1.00 0.00 C ATOM 286 OE1 GLN A 20 4.550 -20.599 -5.993 1.00 0.00 O ATOM 287 NE2 GLN A 20 4.691 -22.058 -4.365 1.00 0.00 N ATOM 0 H GLN A 20 8.334 -24.607 -7.318 1.00 0.00 H new ATOM 0 HA GLN A 20 8.488 -23.420 -4.772 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.017 -22.334 -7.021 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.397 -22.996 -6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.255 -21.439 -4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.105 -20.509 -6.017 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.262 -22.678 -3.790 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.685 -21.997 -4.206 1.00 0.00 H new ATOM 296 N GLU A 21 5.805 -25.314 -5.176 1.00 0.00 N ATOM 297 CA GLU A 21 4.771 -26.009 -4.394 1.00 0.00 C ATOM 298 C GLU A 21 5.398 -27.094 -3.506 1.00 0.00 C ATOM 299 O GLU A 21 5.165 -27.134 -2.298 1.00 0.00 O ATOM 300 CB GLU A 21 3.679 -26.625 -5.286 1.00 0.00 C ATOM 301 CG GLU A 21 3.199 -25.774 -6.469 1.00 0.00 C ATOM 302 CD GLU A 21 2.949 -24.290 -6.137 1.00 0.00 C ATOM 303 OE1 GLU A 21 2.387 -23.970 -5.062 1.00 0.00 O ATOM 304 OE2 GLU A 21 3.273 -23.436 -6.994 1.00 0.00 O ATOM 0 H GLU A 21 5.829 -25.570 -6.163 1.00 0.00 H new ATOM 0 HA GLU A 21 4.296 -25.258 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.052 -27.572 -5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.817 -26.855 -4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.940 -25.834 -7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.277 -26.205 -6.858 1.00 0.00 H new ATOM 311 N ALA A 22 6.238 -27.950 -4.098 1.00 0.00 N ATOM 312 CA ALA A 22 6.920 -29.061 -3.434 1.00 0.00 C ATOM 313 C ALA A 22 7.762 -28.645 -2.208 1.00 0.00 C ATOM 314 O ALA A 22 7.879 -29.420 -1.257 1.00 0.00 O ATOM 315 CB ALA A 22 7.777 -29.766 -4.488 1.00 0.00 C ATOM 0 H ALA A 22 6.469 -27.884 -5.089 1.00 0.00 H new ATOM 0 HA ALA A 22 6.166 -29.732 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.303 -30.603 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.137 -30.135 -5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.502 -29.063 -4.897 1.00 0.00 H new ATOM 321 N ALA A 23 8.300 -27.421 -2.181 1.00 0.00 N ATOM 322 CA ALA A 23 9.010 -26.849 -1.036 1.00 0.00 C ATOM 323 C ALA A 23 8.147 -26.779 0.242 1.00 0.00 C ATOM 324 O ALA A 23 8.644 -27.038 1.341 1.00 0.00 O ATOM 325 CB ALA A 23 9.513 -25.454 -1.428 1.00 0.00 C ATOM 0 H ALA A 23 8.251 -26.785 -2.977 1.00 0.00 H new ATOM 0 HA ALA A 23 9.844 -27.506 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.046 -25.010 -0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.186 -25.536 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.665 -24.823 -1.694 1.00 0.00 H new ATOM 331 N CYS A 24 6.855 -26.462 0.108 1.00 0.00 N ATOM 332 CA CYS A 24 5.889 -26.446 1.213 1.00 0.00 C ATOM 333 C CYS A 24 5.376 -27.851 1.588 1.00 0.00 C ATOM 334 O CYS A 24 4.826 -28.026 2.679 1.00 0.00 O ATOM 335 CB CYS A 24 4.717 -25.528 0.837 1.00 0.00 C ATOM 336 SG CYS A 24 5.311 -23.819 0.644 1.00 0.00 S ATOM 0 H CYS A 24 6.443 -26.204 -0.789 1.00 0.00 H new ATOM 0 HA CYS A 24 6.402 -26.066 2.097 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.258 -25.870 -0.091 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.948 -25.571 1.608 1.00 0.00 H new ATOM 0 HG CYS A 24 4.371 -23.089 0.122 1.00 0.00 H new ATOM 342 N PHE A 25 5.574 -28.851 0.720 1.00 0.00 N ATOM 343 CA PHE A 25 5.089 -30.227 0.879 1.00 0.00 C ATOM 344 C PHE A 25 6.211 -31.264 0.638 1.00 0.00 C ATOM 345 O PHE A 25 6.150 -32.036 -0.326 1.00 0.00 O ATOM 346 CB PHE A 25 3.868 -30.456 -0.031 1.00 0.00 C ATOM 347 CG PHE A 25 2.847 -29.335 -0.058 1.00 0.00 C ATOM 348 CD1 PHE A 25 2.153 -28.976 1.113 1.00 0.00 C ATOM 349 CD2 PHE A 25 2.626 -28.618 -1.250 1.00 0.00 C ATOM 350 CE1 PHE A 25 1.267 -27.886 1.096 1.00 0.00 C ATOM 351 CE2 PHE A 25 1.745 -27.525 -1.264 1.00 0.00 C ATOM 352 CZ PHE A 25 1.069 -27.159 -0.091 1.00 0.00 C ATOM 0 H PHE A 25 6.097 -28.718 -0.146 1.00 0.00 H new ATOM 0 HA PHE A 25 4.771 -30.370 1.912 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.223 -30.624 -1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.368 -31.371 0.287 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.302 -29.538 2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.136 -28.910 -2.156 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.738 -27.606 1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.588 -26.968 -2.176 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.394 -26.316 -0.100 1.00 0.00 H new ATOM 362 N PRO A 26 7.238 -31.330 1.510 1.00 0.00 N ATOM 363 CA PRO A 26 8.373 -32.239 1.323 1.00 0.00 C ATOM 364 C PRO A 26 7.948 -33.719 1.332 1.00 0.00 C ATOM 365 O PRO A 26 8.518 -34.535 0.609 1.00 0.00 O ATOM 366 CB PRO A 26 9.367 -31.895 2.437 1.00 0.00 C ATOM 367 CG PRO A 26 8.503 -31.255 3.523 1.00 0.00 C ATOM 368 CD PRO A 26 7.404 -30.550 2.729 1.00 0.00 C ATOM 0 HA PRO A 26 8.830 -32.106 0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.876 -32.785 2.806 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.138 -31.209 2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.092 -32.002 4.202 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.075 -30.553 4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.475 -30.509 3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.684 -29.521 2.501 1.00 0.00 H new ATOM 376 N ASP A 27 6.891 -34.059 2.075 1.00 0.00 N ATOM 377 CA ASP A 27 6.278 -35.394 2.124 1.00 0.00 C ATOM 378 C ASP A 27 5.660 -35.849 0.785 1.00 0.00 C ATOM 379 O ASP A 27 5.505 -37.051 0.560 1.00 0.00 O ATOM 380 CB ASP A 27 5.190 -35.405 3.208 1.00 0.00 C ATOM 381 CG ASP A 27 5.753 -35.102 4.606 1.00 0.00 C ATOM 382 OD1 ASP A 27 6.260 -36.036 5.272 1.00 0.00 O ATOM 383 OD2 ASP A 27 5.684 -33.928 5.042 1.00 0.00 O ATOM 0 H ASP A 27 6.419 -33.389 2.682 1.00 0.00 H new ATOM 0 HA ASP A 27 7.080 -36.097 2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.426 -34.669 2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.702 -36.380 3.219 1.00 0.00 H new ATOM 388 N ILE A 28 5.310 -34.916 -0.111 1.00 0.00 N ATOM 389 CA ILE A 28 4.749 -35.203 -1.441 1.00 0.00 C ATOM 390 C ILE A 28 5.876 -35.524 -2.429 1.00 0.00 C ATOM 391 O ILE A 28 5.882 -36.599 -3.029 1.00 0.00 O ATOM 392 CB ILE A 28 3.839 -34.042 -1.919 1.00 0.00 C ATOM 393 CG1 ILE A 28 2.648 -33.905 -0.938 1.00 0.00 C ATOM 394 CG2 ILE A 28 3.361 -34.256 -3.367 1.00 0.00 C ATOM 395 CD1 ILE A 28 1.590 -32.868 -1.330 1.00 0.00 C ATOM 0 H ILE A 28 5.411 -33.918 0.072 1.00 0.00 H new ATOM 0 HA ILE A 28 4.112 -36.086 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 28 4.411 -33.114 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.163 -34.877 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.038 -33.647 0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.726 -33.423 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.224 -34.312 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.794 -35.185 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.801 -32.851 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.052 -31.883 -1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.163 -33.131 -2.298 1.00 0.00 H new ATOM 407 N ILE A 29 6.848 -34.618 -2.584 1.00 0.00 N ATOM 408 CA ILE A 29 7.981 -34.775 -3.516 1.00 0.00 C ATOM 409 C ILE A 29 8.939 -35.916 -3.119 1.00 0.00 C ATOM 410 O ILE A 29 9.458 -36.617 -3.990 1.00 0.00 O ATOM 411 CB ILE A 29 8.701 -33.418 -3.695 1.00 0.00 C ATOM 412 CG1 ILE A 29 9.747 -33.389 -4.829 1.00 0.00 C ATOM 413 CG2 ILE A 29 9.368 -32.925 -2.401 1.00 0.00 C ATOM 414 CD1 ILE A 29 9.137 -33.579 -6.220 1.00 0.00 C ATOM 0 H ILE A 29 6.874 -33.743 -2.061 1.00 0.00 H new ATOM 0 HA ILE A 29 7.582 -35.080 -4.483 1.00 0.00 H new ATOM 0 HB ILE A 29 7.891 -32.744 -3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 29 10.278 -32.438 -4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.485 -34.172 -4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.858 -31.969 -2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.612 -32.802 -1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 29 10.108 -33.654 -2.072 1.00 0.00 H new ATOM 0 HD11 ILE A 29 9.927 -33.548 -6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 29 8.630 -34.543 -6.266 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.420 -32.782 -6.415 1.00 0.00 H new ATOM 426 N SER A 30 9.137 -36.150 -1.815 1.00 0.00 N ATOM 427 CA SER A 30 9.884 -37.300 -1.270 1.00 0.00 C ATOM 428 C SER A 30 9.021 -38.576 -1.147 1.00 0.00 C ATOM 429 O SER A 30 9.536 -39.667 -0.883 1.00 0.00 O ATOM 430 CB SER A 30 10.466 -36.908 0.098 1.00 0.00 C ATOM 431 OG SER A 30 11.539 -37.754 0.486 1.00 0.00 O ATOM 0 H SER A 30 8.775 -35.532 -1.089 1.00 0.00 H new ATOM 0 HA SER A 30 10.684 -37.543 -1.969 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.814 -35.876 0.061 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.680 -36.952 0.852 1.00 0.00 H new ATOM 0 HG SER A 30 11.350 -38.673 0.204 1.00 0.00 H new ATOM 437 N GLY A 31 7.704 -38.461 -1.352 1.00 0.00 N ATOM 438 CA GLY A 31 6.723 -39.551 -1.308 1.00 0.00 C ATOM 439 C GLY A 31 6.657 -40.390 -2.597 1.00 0.00 C ATOM 440 O GLY A 31 7.437 -40.168 -3.532 1.00 0.00 O ATOM 0 H GLY A 31 7.272 -37.561 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.963 -40.208 -0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.737 -39.130 -1.110 1.00 0.00 H new ATOM 444 N PRO A 32 5.736 -41.373 -2.666 1.00 0.00 N ATOM 445 CA PRO A 32 5.549 -42.215 -3.846 1.00 0.00 C ATOM 446 C PRO A 32 4.943 -41.430 -5.022 1.00 0.00 C ATOM 447 O PRO A 32 4.330 -40.372 -4.849 1.00 0.00 O ATOM 448 CB PRO A 32 4.636 -43.356 -3.382 1.00 0.00 C ATOM 449 CG PRO A 32 3.797 -42.707 -2.284 1.00 0.00 C ATOM 450 CD PRO A 32 4.772 -41.724 -1.632 1.00 0.00 C ATOM 0 HA PRO A 32 6.498 -42.592 -4.227 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.014 -43.731 -4.195 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.210 -44.202 -3.004 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.924 -42.197 -2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.430 -43.444 -1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.250 -40.839 -1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.268 -42.177 -0.773 1.00 0.00 H new ATOM 458 N GLN A 33 5.070 -41.980 -6.233 1.00 0.00 N ATOM 459 CA GLN A 33 4.646 -41.318 -7.474 1.00 0.00 C ATOM 460 C GLN A 33 3.126 -41.057 -7.539 1.00 0.00 C ATOM 461 O GLN A 33 2.688 -40.087 -8.156 1.00 0.00 O ATOM 462 CB GLN A 33 5.172 -42.124 -8.675 1.00 0.00 C ATOM 463 CG GLN A 33 5.201 -41.293 -9.968 1.00 0.00 C ATOM 464 CD GLN A 33 6.002 -41.975 -11.079 1.00 0.00 C ATOM 465 OE1 GLN A 33 5.782 -43.127 -11.432 1.00 0.00 O ATOM 466 NE2 GLN A 33 6.962 -41.299 -11.678 1.00 0.00 N ATOM 0 H GLN A 33 5.473 -42.905 -6.383 1.00 0.00 H new ATOM 0 HA GLN A 33 5.085 -40.321 -7.502 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.177 -42.485 -8.455 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.543 -43.002 -8.824 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.180 -41.123 -10.311 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.634 -40.315 -9.759 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.160 -40.338 -11.398 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.506 -41.736 -12.421 1.00 0.00 H new ATOM 475 N GLN A 34 2.314 -41.857 -6.839 1.00 0.00 N ATOM 476 CA GLN A 34 0.875 -41.631 -6.648 1.00 0.00 C ATOM 477 C GLN A 34 0.584 -40.284 -5.958 1.00 0.00 C ATOM 478 O GLN A 34 -0.234 -39.508 -6.451 1.00 0.00 O ATOM 479 CB GLN A 34 0.299 -42.838 -5.883 1.00 0.00 C ATOM 480 CG GLN A 34 -1.222 -42.799 -5.637 1.00 0.00 C ATOM 481 CD GLN A 34 -1.632 -42.001 -4.397 1.00 0.00 C ATOM 482 OE1 GLN A 34 -2.325 -40.996 -4.470 1.00 0.00 O ATOM 483 NE2 GLN A 34 -1.234 -42.411 -3.211 1.00 0.00 N ATOM 0 H GLN A 34 2.648 -42.703 -6.377 1.00 0.00 H new ATOM 0 HA GLN A 34 0.379 -41.556 -7.616 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.537 -43.746 -6.438 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.804 -42.911 -4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.710 -42.368 -6.511 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.590 -43.820 -5.537 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.655 -43.247 -3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.504 -41.893 -2.375 1.00 0.00 H new ATOM 492 N THR A 35 1.267 -39.982 -4.846 1.00 0.00 N ATOM 493 CA THR A 35 1.043 -38.776 -4.026 1.00 0.00 C ATOM 494 C THR A 35 1.302 -37.483 -4.809 1.00 0.00 C ATOM 495 O THR A 35 0.459 -36.584 -4.801 1.00 0.00 O ATOM 496 CB THR A 35 1.881 -38.811 -2.737 1.00 0.00 C ATOM 497 OG1 THR A 35 1.623 -40.019 -2.053 1.00 0.00 O ATOM 498 CG2 THR A 35 1.511 -37.691 -1.763 1.00 0.00 C ATOM 0 H THR A 35 2.008 -40.580 -4.480 1.00 0.00 H new ATOM 0 HA THR A 35 -0.011 -38.780 -3.748 1.00 0.00 H new ATOM 0 HB THR A 35 2.922 -38.703 -3.041 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.155 -40.049 -1.231 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.133 -37.764 -0.871 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.673 -36.725 -2.241 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.462 -37.785 -1.482 1.00 0.00 H new ATOM 506 N GLN A 36 2.427 -37.385 -5.530 1.00 0.00 N ATOM 507 CA GLN A 36 2.690 -36.237 -6.416 1.00 0.00 C ATOM 508 C GLN A 36 1.645 -36.099 -7.540 1.00 0.00 C ATOM 509 O GLN A 36 1.250 -34.976 -7.853 1.00 0.00 O ATOM 510 CB GLN A 36 4.130 -36.249 -6.968 1.00 0.00 C ATOM 511 CG GLN A 36 4.499 -37.541 -7.710 1.00 0.00 C ATOM 512 CD GLN A 36 5.771 -37.431 -8.544 1.00 0.00 C ATOM 513 OE1 GLN A 36 6.863 -37.782 -8.122 1.00 0.00 O ATOM 514 NE2 GLN A 36 5.668 -36.989 -9.781 1.00 0.00 N ATOM 0 H GLN A 36 3.170 -38.084 -5.519 1.00 0.00 H new ATOM 0 HA GLN A 36 2.592 -35.347 -5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.257 -35.404 -7.645 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.827 -36.104 -6.142 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.621 -38.344 -6.983 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.672 -37.823 -8.361 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.761 -36.694 -10.143 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.495 -36.942 -10.376 1.00 0.00 H new ATOM 523 N LYS A 37 1.155 -37.210 -8.118 1.00 0.00 N ATOM 524 CA LYS A 37 0.100 -37.200 -9.146 1.00 0.00 C ATOM 525 C LYS A 37 -1.220 -36.647 -8.609 1.00 0.00 C ATOM 526 O LYS A 37 -1.731 -35.690 -9.185 1.00 0.00 O ATOM 527 CB LYS A 37 -0.092 -38.589 -9.795 1.00 0.00 C ATOM 528 CG LYS A 37 0.558 -38.690 -11.186 1.00 0.00 C ATOM 529 CD LYS A 37 2.094 -38.712 -11.147 1.00 0.00 C ATOM 530 CE LYS A 37 2.734 -38.580 -12.538 1.00 0.00 C ATOM 531 NZ LYS A 37 2.399 -39.716 -13.440 1.00 0.00 N ATOM 0 H LYS A 37 1.483 -38.147 -7.883 1.00 0.00 H new ATOM 0 HA LYS A 37 0.438 -36.522 -9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.334 -39.352 -9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.158 -38.801 -9.880 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.202 -39.595 -11.679 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.230 -37.846 -11.793 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.447 -37.899 -10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.427 -39.643 -10.687 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.404 -37.648 -12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.817 -38.516 -12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.857 -39.573 -14.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.737 -40.605 -13.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.368 -39.764 -13.569 1.00 0.00 H new ATOM 545 N VAL A 38 -1.769 -37.200 -7.520 1.00 0.00 N ATOM 546 CA VAL A 38 -3.034 -36.705 -6.933 1.00 0.00 C ATOM 547 C VAL A 38 -2.941 -35.233 -6.518 1.00 0.00 C ATOM 548 O VAL A 38 -3.842 -34.457 -6.834 1.00 0.00 O ATOM 549 CB VAL A 38 -3.572 -37.621 -5.811 1.00 0.00 C ATOM 550 CG1 VAL A 38 -2.682 -37.685 -4.570 1.00 0.00 C ATOM 551 CG2 VAL A 38 -4.973 -37.206 -5.347 1.00 0.00 C ATOM 0 H VAL A 38 -1.361 -37.992 -7.023 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.782 -36.749 -7.725 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.592 -38.606 -6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.133 -38.349 -3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.698 -38.065 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.579 -36.687 -4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.309 -37.879 -4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.942 -36.185 -4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.665 -37.258 -6.188 1.00 0.00 H new ATOM 561 N PHE A 39 -1.827 -34.818 -5.903 1.00 0.00 N ATOM 562 CA PHE A 39 -1.557 -33.419 -5.563 1.00 0.00 C ATOM 563 C PHE A 39 -1.583 -32.497 -6.794 1.00 0.00 C ATOM 564 O PHE A 39 -2.373 -31.551 -6.839 1.00 0.00 O ATOM 565 CB PHE A 39 -0.216 -33.325 -4.826 1.00 0.00 C ATOM 566 CG PHE A 39 0.216 -31.892 -4.576 1.00 0.00 C ATOM 567 CD1 PHE A 39 -0.525 -31.079 -3.698 1.00 0.00 C ATOM 568 CD2 PHE A 39 1.307 -31.349 -5.283 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.190 -29.724 -3.541 1.00 0.00 C ATOM 570 CE2 PHE A 39 1.644 -29.993 -5.124 1.00 0.00 C ATOM 571 CZ PHE A 39 0.886 -29.181 -4.263 1.00 0.00 C ATOM 0 H PHE A 39 -1.079 -35.454 -5.625 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.356 -33.070 -4.909 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.292 -33.849 -3.873 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.551 -33.835 -5.409 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.352 -31.498 -3.144 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.885 -31.974 -5.947 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.758 -29.101 -2.867 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.483 -29.577 -5.662 1.00 0.00 H new ATOM 0 HZ PHE A 39 1.132 -28.135 -4.156 1.00 0.00 H new ATOM 581 N LEU A 40 -0.740 -32.774 -7.796 1.00 0.00 N ATOM 582 CA LEU A 40 -0.657 -32.008 -9.043 1.00 0.00 C ATOM 583 C LEU A 40 -2.008 -31.948 -9.770 1.00 0.00 C ATOM 584 O LEU A 40 -2.435 -30.868 -10.171 1.00 0.00 O ATOM 585 CB LEU A 40 0.469 -32.597 -9.912 1.00 0.00 C ATOM 586 CG LEU A 40 0.589 -31.960 -11.315 1.00 0.00 C ATOM 587 CD1 LEU A 40 2.052 -31.746 -11.691 1.00 0.00 C ATOM 588 CD2 LEU A 40 -0.035 -32.853 -12.391 1.00 0.00 C ATOM 0 H LEU A 40 -0.083 -33.554 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.411 -30.970 -8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.417 -32.476 -9.388 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.302 -33.668 -10.025 1.00 0.00 H new ATOM 0 HG LEU A 40 0.061 -31.007 -11.269 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.111 -31.297 -12.682 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.521 -31.083 -10.964 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.570 -32.705 -11.696 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.067 -32.375 -13.365 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.475 -33.816 -12.405 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.092 -33.005 -12.170 1.00 0.00 H new ATOM 600 N PHE A 41 -2.694 -33.084 -9.917 1.00 0.00 N ATOM 601 CA PHE A 41 -3.992 -33.182 -10.588 1.00 0.00 C ATOM 602 C PHE A 41 -5.060 -32.307 -9.913 1.00 0.00 C ATOM 603 O PHE A 41 -5.726 -31.519 -10.588 1.00 0.00 O ATOM 604 CB PHE A 41 -4.407 -34.658 -10.647 1.00 0.00 C ATOM 605 CG PHE A 41 -5.577 -34.944 -11.568 1.00 0.00 C ATOM 606 CD1 PHE A 41 -5.347 -35.137 -12.943 1.00 0.00 C ATOM 607 CD2 PHE A 41 -6.884 -35.046 -11.056 1.00 0.00 C ATOM 608 CE1 PHE A 41 -6.418 -35.433 -13.806 1.00 0.00 C ATOM 609 CE2 PHE A 41 -7.951 -35.359 -11.917 1.00 0.00 C ATOM 610 CZ PHE A 41 -7.721 -35.548 -13.292 1.00 0.00 C ATOM 0 H PHE A 41 -2.355 -33.980 -9.566 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.899 -32.797 -11.603 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.552 -35.250 -10.972 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.662 -34.991 -9.641 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.345 -35.058 -13.337 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.067 -34.884 -10.004 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.239 -35.572 -14.862 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.951 -35.455 -11.521 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.544 -35.781 -13.951 1.00 0.00 H new ATOM 620 N ILE A 42 -5.184 -32.391 -8.579 1.00 0.00 N ATOM 621 CA ILE A 42 -6.060 -31.529 -7.770 1.00 0.00 C ATOM 622 C ILE A 42 -5.689 -30.050 -7.947 1.00 0.00 C ATOM 623 O ILE A 42 -6.553 -29.254 -8.316 1.00 0.00 O ATOM 624 CB ILE A 42 -6.061 -31.977 -6.285 1.00 0.00 C ATOM 625 CG1 ILE A 42 -6.835 -33.311 -6.159 1.00 0.00 C ATOM 626 CG2 ILE A 42 -6.681 -30.909 -5.359 1.00 0.00 C ATOM 627 CD1 ILE A 42 -6.721 -33.968 -4.777 1.00 0.00 C ATOM 0 H ILE A 42 -4.669 -33.073 -8.022 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.084 -31.638 -8.128 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.027 -32.113 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.887 -33.131 -6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.466 -34.007 -6.913 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.661 -31.265 -4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.108 -29.985 -5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.712 -30.722 -5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.290 -34.898 -4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.674 -34.181 -4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.118 -33.292 -4.019 1.00 0.00 H new ATOM 639 N ARG A 43 -4.428 -29.662 -7.715 1.00 0.00 N ATOM 640 CA ARG A 43 -3.993 -28.256 -7.809 1.00 0.00 C ATOM 641 C ARG A 43 -4.201 -27.663 -9.208 1.00 0.00 C ATOM 642 O ARG A 43 -4.679 -26.533 -9.322 1.00 0.00 O ATOM 643 CB ARG A 43 -2.541 -28.124 -7.320 1.00 0.00 C ATOM 644 CG ARG A 43 -2.175 -26.645 -7.140 1.00 0.00 C ATOM 645 CD ARG A 43 -0.785 -26.462 -6.526 1.00 0.00 C ATOM 646 NE ARG A 43 -0.464 -25.029 -6.379 1.00 0.00 N ATOM 647 CZ ARG A 43 -0.062 -24.189 -7.317 1.00 0.00 C ATOM 648 NH1 ARG A 43 0.166 -24.568 -8.543 1.00 0.00 N ATOM 649 NH2 ARG A 43 0.130 -22.935 -7.033 1.00 0.00 N ATOM 0 H ARG A 43 -3.682 -30.308 -7.458 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.628 -27.661 -7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.418 -28.654 -6.376 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.864 -28.589 -8.037 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.212 -26.143 -8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.917 -26.164 -6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.745 -26.950 -5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.037 -26.944 -7.156 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.564 -24.640 -5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.035 -25.544 -8.808 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.475 -23.888 -9.238 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.030 -22.597 -6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.440 -22.289 -7.759 1.00 0.00 H new ATOM 663 N ASN A 44 -3.904 -28.429 -10.262 1.00 0.00 N ATOM 664 CA ASN A 44 -4.158 -28.067 -11.659 1.00 0.00 C ATOM 665 C ASN A 44 -5.632 -27.726 -11.890 1.00 0.00 C ATOM 666 O ASN A 44 -5.936 -26.592 -12.259 1.00 0.00 O ATOM 667 CB ASN A 44 -3.708 -29.194 -12.611 1.00 0.00 C ATOM 668 CG ASN A 44 -2.216 -29.234 -12.898 1.00 0.00 C ATOM 669 OD1 ASN A 44 -1.440 -28.355 -12.549 1.00 0.00 O ATOM 670 ND2 ASN A 44 -1.782 -30.246 -13.609 1.00 0.00 N ATOM 0 H ASN A 44 -3.467 -29.345 -10.163 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.570 -27.176 -11.878 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.006 -30.151 -12.183 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.242 -29.086 -13.555 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.798 -30.300 -13.871 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.429 -30.979 -13.900 1.00 0.00 H new ATOM 677 N ARG A 45 -6.555 -28.679 -11.680 1.00 0.00 N ATOM 678 CA ARG A 45 -7.993 -28.445 -11.914 1.00 0.00 C ATOM 679 C ARG A 45 -8.566 -27.333 -11.030 1.00 0.00 C ATOM 680 O ARG A 45 -9.398 -26.571 -11.508 1.00 0.00 O ATOM 681 CB ARG A 45 -8.798 -29.760 -11.876 1.00 0.00 C ATOM 682 CG ARG A 45 -8.893 -30.443 -10.506 1.00 0.00 C ATOM 683 CD ARG A 45 -10.052 -29.931 -9.637 1.00 0.00 C ATOM 684 NE ARG A 45 -9.849 -30.289 -8.220 1.00 0.00 N ATOM 685 CZ ARG A 45 -10.718 -30.811 -7.375 1.00 0.00 C ATOM 686 NH1 ARG A 45 -11.971 -30.991 -7.670 1.00 0.00 N ATOM 687 NH2 ARG A 45 -10.347 -31.180 -6.188 1.00 0.00 N ATOM 0 H ARG A 45 -6.333 -29.618 -11.349 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.098 -28.064 -12.930 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.808 -29.556 -12.231 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.348 -30.460 -12.580 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.008 -31.517 -10.653 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.956 -30.293 -9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.133 -28.848 -9.734 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.992 -30.354 -9.992 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.917 -30.110 -7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.322 -30.725 -8.590 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.604 -31.399 -6.982 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.375 -31.068 -5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.027 -31.582 -5.543 1.00 0.00 H new ATOM 701 N THR A 46 -8.097 -27.186 -9.785 1.00 0.00 N ATOM 702 CA THR A 46 -8.461 -26.073 -8.887 1.00 0.00 C ATOM 703 C THR A 46 -8.113 -24.720 -9.515 1.00 0.00 C ATOM 704 O THR A 46 -8.993 -23.867 -9.656 1.00 0.00 O ATOM 705 CB THR A 46 -7.798 -26.236 -7.507 1.00 0.00 C ATOM 706 OG1 THR A 46 -8.370 -27.342 -6.843 1.00 0.00 O ATOM 707 CG2 THR A 46 -7.962 -25.020 -6.593 1.00 0.00 C ATOM 0 H THR A 46 -7.443 -27.845 -9.363 1.00 0.00 H new ATOM 0 HA THR A 46 -9.541 -26.101 -8.741 1.00 0.00 H new ATOM 0 HB THR A 46 -6.733 -26.368 -7.701 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.866 -27.031 -6.057 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.468 -25.212 -5.640 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.513 -24.147 -7.065 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.022 -24.834 -6.421 1.00 0.00 H new ATOM 715 N LEU A 47 -6.857 -24.520 -9.934 1.00 0.00 N ATOM 716 CA LEU A 47 -6.433 -23.301 -10.632 1.00 0.00 C ATOM 717 C LEU A 47 -7.173 -23.100 -11.957 1.00 0.00 C ATOM 718 O LEU A 47 -7.696 -22.015 -12.192 1.00 0.00 O ATOM 719 CB LEU A 47 -4.907 -23.299 -10.846 1.00 0.00 C ATOM 720 CG LEU A 47 -4.141 -22.745 -9.635 1.00 0.00 C ATOM 721 CD1 LEU A 47 -2.646 -23.022 -9.789 1.00 0.00 C ATOM 722 CD2 LEU A 47 -4.319 -21.231 -9.480 1.00 0.00 C ATOM 0 H LEU A 47 -6.107 -25.198 -9.799 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.696 -22.458 -9.993 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.571 -24.316 -11.049 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.668 -22.702 -11.726 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.547 -23.243 -8.755 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.112 -22.625 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.480 -24.097 -9.856 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.278 -22.541 -10.695 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.759 -20.886 -8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.949 -20.728 -10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.376 -21.001 -9.346 1.00 0.00 H new ATOM 734 N GLN A 48 -7.265 -24.124 -12.806 1.00 0.00 N ATOM 735 CA GLN A 48 -7.998 -24.053 -14.075 1.00 0.00 C ATOM 736 C GLN A 48 -9.451 -23.594 -13.870 1.00 0.00 C ATOM 737 O GLN A 48 -9.875 -22.644 -14.521 1.00 0.00 O ATOM 738 CB GLN A 48 -7.925 -25.402 -14.810 1.00 0.00 C ATOM 739 CG GLN A 48 -6.538 -25.686 -15.418 1.00 0.00 C ATOM 740 CD GLN A 48 -6.214 -24.782 -16.610 1.00 0.00 C ATOM 741 OE1 GLN A 48 -6.949 -24.703 -17.586 1.00 0.00 O ATOM 742 NE2 GLN A 48 -5.112 -24.063 -16.591 1.00 0.00 N ATOM 0 H GLN A 48 -6.832 -25.031 -12.634 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.520 -23.299 -14.700 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.181 -26.202 -14.115 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.673 -25.418 -15.603 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.776 -25.553 -14.650 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.492 -26.728 -15.735 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.484 -24.113 -15.788 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.885 -23.456 -17.379 1.00 0.00 H new ATOM 751 N LEU A 49 -10.202 -24.196 -12.939 1.00 0.00 N ATOM 752 CA LEU A 49 -11.584 -23.806 -12.619 1.00 0.00 C ATOM 753 C LEU A 49 -11.706 -22.372 -12.070 1.00 0.00 C ATOM 754 O LEU A 49 -12.664 -21.679 -12.407 1.00 0.00 O ATOM 755 CB LEU A 49 -12.197 -24.824 -11.637 1.00 0.00 C ATOM 756 CG LEU A 49 -12.574 -26.164 -12.301 1.00 0.00 C ATOM 757 CD1 LEU A 49 -12.839 -27.229 -11.237 1.00 0.00 C ATOM 758 CD2 LEU A 49 -13.841 -26.041 -13.151 1.00 0.00 C ATOM 0 H LEU A 49 -9.864 -24.978 -12.379 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.142 -23.813 -13.555 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.488 -25.013 -10.831 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.087 -24.389 -11.183 1.00 0.00 H new ATOM 0 HG LEU A 49 -11.733 -26.444 -12.936 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.104 -28.169 -11.721 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.942 -27.372 -10.634 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -13.660 -26.907 -10.596 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.072 -27.006 -13.601 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.673 -25.726 -12.521 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.682 -25.303 -13.937 1.00 0.00 H new ATOM 770 N TRP A 50 -10.743 -21.902 -11.268 1.00 0.00 N ATOM 771 CA TRP A 50 -10.661 -20.505 -10.812 1.00 0.00 C ATOM 772 C TRP A 50 -10.412 -19.523 -11.973 1.00 0.00 C ATOM 773 O TRP A 50 -11.114 -18.518 -12.115 1.00 0.00 O ATOM 774 CB TRP A 50 -9.567 -20.394 -9.736 1.00 0.00 C ATOM 775 CG TRP A 50 -9.273 -19.026 -9.191 1.00 0.00 C ATOM 776 CD1 TRP A 50 -8.028 -18.510 -9.047 1.00 0.00 C ATOM 777 CD2 TRP A 50 -10.189 -18.001 -8.682 1.00 0.00 C ATOM 778 NE1 TRP A 50 -8.107 -17.251 -8.484 1.00 0.00 N ATOM 779 CE2 TRP A 50 -9.414 -16.890 -8.230 1.00 0.00 C ATOM 780 CE3 TRP A 50 -11.591 -17.890 -8.549 1.00 0.00 C ATOM 781 CZ2 TRP A 50 -9.993 -15.742 -7.667 1.00 0.00 C ATOM 782 CZ3 TRP A 50 -12.187 -16.742 -7.989 1.00 0.00 C ATOM 783 CH2 TRP A 50 -11.392 -15.670 -7.546 1.00 0.00 C ATOM 0 H TRP A 50 -9.988 -22.487 -10.912 1.00 0.00 H new ATOM 0 HA TRP A 50 -11.623 -20.223 -10.384 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -9.848 -21.036 -8.901 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -8.643 -20.797 -10.151 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -7.112 -19.008 -9.330 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -7.300 -16.662 -8.281 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -12.220 -18.702 -8.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -9.372 -14.925 -7.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -13.262 -16.685 -7.900 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -11.854 -14.795 -7.114 1.00 0.00 H new ATOM 794 N LEU A 51 -9.427 -19.815 -12.825 1.00 0.00 N ATOM 795 CA LEU A 51 -8.990 -18.980 -13.952 1.00 0.00 C ATOM 796 C LEU A 51 -9.985 -18.969 -15.130 1.00 0.00 C ATOM 797 O LEU A 51 -10.077 -17.976 -15.852 1.00 0.00 O ATOM 798 CB LEU A 51 -7.610 -19.481 -14.413 1.00 0.00 C ATOM 799 CG LEU A 51 -6.498 -19.312 -13.357 1.00 0.00 C ATOM 800 CD1 LEU A 51 -5.311 -20.202 -13.716 1.00 0.00 C ATOM 801 CD2 LEU A 51 -6.016 -17.865 -13.244 1.00 0.00 C ATOM 0 H LEU A 51 -8.887 -20.677 -12.747 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.937 -17.947 -13.607 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.688 -20.535 -14.679 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.323 -18.944 -15.317 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.921 -19.600 -12.395 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.527 -20.081 -12.969 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.631 -21.244 -13.741 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.926 -19.918 -14.695 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.234 -17.800 -12.488 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.620 -17.537 -14.205 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.851 -17.225 -12.959 1.00 0.00 H new ATOM 813 N ASP A 52 -10.771 -20.036 -15.303 1.00 0.00 N ATOM 814 CA ASP A 52 -11.863 -20.175 -16.286 1.00 0.00 C ATOM 815 C ASP A 52 -13.099 -19.292 -15.982 1.00 0.00 C ATOM 816 O ASP A 52 -14.072 -19.301 -16.737 1.00 0.00 O ATOM 817 CB ASP A 52 -12.238 -21.667 -16.372 1.00 0.00 C ATOM 818 CG ASP A 52 -13.231 -22.004 -17.499 1.00 0.00 C ATOM 819 OD1 ASP A 52 -12.913 -21.748 -18.686 1.00 0.00 O ATOM 820 OD2 ASP A 52 -14.306 -22.585 -17.211 1.00 0.00 O ATOM 0 H ASP A 52 -10.661 -20.874 -14.733 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.503 -19.812 -17.249 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.329 -22.251 -16.517 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.668 -21.978 -15.420 1.00 0.00 H new ATOM 825 N ASN A 53 -13.059 -18.508 -14.894 1.00 0.00 N ATOM 826 CA ASN A 53 -14.130 -17.674 -14.341 1.00 0.00 C ATOM 827 C ASN A 53 -15.369 -18.501 -13.905 1.00 0.00 C ATOM 828 O ASN A 53 -16.299 -18.696 -14.694 1.00 0.00 O ATOM 829 CB ASN A 53 -14.455 -16.497 -15.284 1.00 0.00 C ATOM 830 CG ASN A 53 -15.388 -15.470 -14.655 1.00 0.00 C ATOM 831 OD1 ASN A 53 -15.935 -15.643 -13.572 1.00 0.00 O ATOM 832 ND2 ASN A 53 -15.588 -14.351 -15.312 1.00 0.00 N ATOM 0 H ASN A 53 -12.208 -18.437 -14.336 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.766 -17.230 -13.414 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.527 -16.006 -15.576 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.911 -16.884 -16.195 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.196 -13.631 -14.921 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.136 -14.201 -16.214 1.00 0.00 H new ATOM 839 N PRO A 54 -15.416 -18.975 -12.642 1.00 0.00 N ATOM 840 CA PRO A 54 -16.502 -19.808 -12.110 1.00 0.00 C ATOM 841 C PRO A 54 -17.801 -19.038 -11.791 1.00 0.00 C ATOM 842 O PRO A 54 -18.784 -19.657 -11.379 1.00 0.00 O ATOM 843 CB PRO A 54 -15.910 -20.459 -10.853 1.00 0.00 C ATOM 844 CG PRO A 54 -14.941 -19.393 -10.351 1.00 0.00 C ATOM 845 CD PRO A 54 -14.375 -18.811 -11.636 1.00 0.00 C ATOM 0 HA PRO A 54 -16.822 -20.532 -12.859 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.679 -20.688 -10.115 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.400 -21.394 -11.083 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -15.449 -18.635 -9.754 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.159 -19.822 -9.724 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -14.118 -17.760 -11.508 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -13.462 -19.329 -11.930 1.00 0.00 H new ATOM 853 N LYS A 55 -17.838 -17.708 -11.985 1.00 0.00 N ATOM 854 CA LYS A 55 -18.949 -16.768 -11.691 1.00 0.00 C ATOM 855 C LYS A 55 -19.377 -16.679 -10.208 1.00 0.00 C ATOM 856 O LYS A 55 -20.328 -15.965 -9.882 1.00 0.00 O ATOM 857 CB LYS A 55 -20.169 -17.011 -12.614 1.00 0.00 C ATOM 858 CG LYS A 55 -19.884 -17.104 -14.129 1.00 0.00 C ATOM 859 CD LYS A 55 -19.683 -18.530 -14.677 1.00 0.00 C ATOM 860 CE LYS A 55 -20.941 -19.404 -14.547 1.00 0.00 C ATOM 861 NZ LYS A 55 -20.620 -20.848 -14.699 1.00 0.00 N ATOM 0 H LYS A 55 -17.035 -17.219 -12.381 1.00 0.00 H new ATOM 0 HA LYS A 55 -18.526 -15.788 -11.912 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -20.653 -17.936 -12.301 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -20.885 -16.205 -12.451 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.711 -16.640 -14.666 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.991 -16.519 -14.350 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.393 -18.473 -15.726 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.860 -19.006 -14.144 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -21.405 -19.234 -13.575 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -21.669 -19.111 -15.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -21.491 -21.409 -14.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -20.200 -21.014 -15.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -19.944 -21.133 -13.962 1.00 0.00 H new ATOM 875 N ILE A 56 -18.685 -17.378 -9.308 1.00 0.00 N ATOM 876 CA ILE A 56 -18.904 -17.436 -7.852 1.00 0.00 C ATOM 877 C ILE A 56 -17.553 -17.590 -7.128 1.00 0.00 C ATOM 878 O ILE A 56 -16.548 -17.928 -7.754 1.00 0.00 O ATOM 879 CB ILE A 56 -19.899 -18.586 -7.536 1.00 0.00 C ATOM 880 CG1 ILE A 56 -20.501 -18.463 -6.119 1.00 0.00 C ATOM 881 CG2 ILE A 56 -19.277 -19.980 -7.759 1.00 0.00 C ATOM 882 CD1 ILE A 56 -21.734 -19.349 -5.897 1.00 0.00 C ATOM 0 H ILE A 56 -17.899 -17.963 -9.592 1.00 0.00 H new ATOM 0 HA ILE A 56 -19.349 -16.510 -7.488 1.00 0.00 H new ATOM 0 HB ILE A 56 -20.717 -18.481 -8.248 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -19.739 -18.725 -5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -20.774 -17.423 -5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.013 -20.749 -7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -18.969 -20.079 -8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -18.409 -20.099 -7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -22.103 -19.211 -4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -22.513 -19.072 -6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -21.463 -20.394 -6.046 1.00 0.00 H new ATOM 894 N GLN A 57 -17.499 -17.378 -5.814 1.00 0.00 N ATOM 895 CA GLN A 57 -16.327 -17.705 -4.991 1.00 0.00 C ATOM 896 C GLN A 57 -16.015 -19.210 -5.090 1.00 0.00 C ATOM 897 O GLN A 57 -16.882 -20.043 -4.809 1.00 0.00 O ATOM 898 CB GLN A 57 -16.568 -17.282 -3.532 1.00 0.00 C ATOM 899 CG GLN A 57 -16.526 -15.757 -3.316 1.00 0.00 C ATOM 900 CD GLN A 57 -17.694 -14.985 -3.935 1.00 0.00 C ATOM 901 OE1 GLN A 57 -18.824 -15.450 -4.022 1.00 0.00 O ATOM 902 NE2 GLN A 57 -17.467 -13.782 -4.419 1.00 0.00 N ATOM 0 H GLN A 57 -18.270 -16.972 -5.284 1.00 0.00 H new ATOM 0 HA GLN A 57 -15.463 -17.154 -5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.538 -17.660 -3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -15.816 -17.751 -2.898 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -16.505 -15.557 -2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.595 -15.372 -3.731 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.534 -13.375 -4.357 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.224 -13.257 -4.856 1.00 0.00 H new ATOM 911 N LEU A 58 -14.798 -19.564 -5.524 1.00 0.00 N ATOM 912 CA LEU A 58 -14.346 -20.942 -5.770 1.00 0.00 C ATOM 913 C LEU A 58 -14.151 -21.710 -4.441 1.00 0.00 C ATOM 914 O LEU A 58 -13.038 -21.900 -3.944 1.00 0.00 O ATOM 915 CB LEU A 58 -13.101 -20.893 -6.693 1.00 0.00 C ATOM 916 CG LEU A 58 -12.677 -22.171 -7.455 1.00 0.00 C ATOM 917 CD1 LEU A 58 -12.295 -23.338 -6.555 1.00 0.00 C ATOM 918 CD2 LEU A 58 -13.727 -22.680 -8.445 1.00 0.00 C ATOM 0 H LEU A 58 -14.074 -18.874 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.106 -21.519 -6.297 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.271 -20.111 -7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.254 -20.577 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.795 -21.831 -7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.011 -24.193 -7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.455 -23.050 -5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.145 -23.608 -5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.356 -23.578 -8.939 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.648 -22.914 -7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.926 -21.911 -9.191 1.00 0.00 H new ATOM 930 N THR A 59 -15.266 -22.132 -3.845 1.00 0.00 N ATOM 931 CA THR A 59 -15.331 -23.082 -2.726 1.00 0.00 C ATOM 932 C THR A 59 -14.987 -24.502 -3.189 1.00 0.00 C ATOM 933 O THR A 59 -15.270 -24.881 -4.329 1.00 0.00 O ATOM 934 CB THR A 59 -16.724 -23.050 -2.062 1.00 0.00 C ATOM 935 OG1 THR A 59 -16.816 -24.042 -1.060 1.00 0.00 O ATOM 936 CG2 THR A 59 -17.901 -23.284 -3.010 1.00 0.00 C ATOM 0 H THR A 59 -16.188 -21.810 -4.138 1.00 0.00 H new ATOM 0 HA THR A 59 -14.590 -22.779 -1.986 1.00 0.00 H new ATOM 0 HB THR A 59 -16.802 -22.037 -1.668 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.704 -24.008 -0.647 1.00 0.00 H new ATOM 0 HG21 THR A 59 -18.834 -23.242 -2.448 1.00 0.00 H new ATOM 0 HG22 THR A 59 -17.906 -22.513 -3.781 1.00 0.00 H new ATOM 0 HG23 THR A 59 -17.802 -24.264 -3.478 1.00 0.00 H new ATOM 944 N PHE A 60 -14.437 -25.312 -2.281 1.00 0.00 N ATOM 945 CA PHE A 60 -14.182 -26.744 -2.463 1.00 0.00 C ATOM 946 C PHE A 60 -15.419 -27.513 -2.968 1.00 0.00 C ATOM 947 O PHE A 60 -15.289 -28.376 -3.831 1.00 0.00 O ATOM 948 CB PHE A 60 -13.634 -27.327 -1.146 1.00 0.00 C ATOM 949 CG PHE A 60 -14.404 -26.922 0.106 1.00 0.00 C ATOM 950 CD1 PHE A 60 -15.579 -27.604 0.472 1.00 0.00 C ATOM 951 CD2 PHE A 60 -13.961 -25.836 0.889 1.00 0.00 C ATOM 952 CE1 PHE A 60 -16.319 -27.193 1.596 1.00 0.00 C ATOM 953 CE2 PHE A 60 -14.700 -25.426 2.013 1.00 0.00 C ATOM 954 CZ PHE A 60 -15.883 -26.100 2.364 1.00 0.00 C ATOM 0 H PHE A 60 -14.146 -24.976 -1.363 1.00 0.00 H new ATOM 0 HA PHE A 60 -13.435 -26.864 -3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.635 -28.415 -1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.596 -27.016 -1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.915 -28.448 -0.113 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.051 -25.318 0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -17.223 -27.718 1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -14.358 -24.592 2.608 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.455 -25.778 3.222 1.00 0.00 H new ATOM 964 N GLU A 61 -16.629 -27.176 -2.503 1.00 0.00 N ATOM 965 CA GLU A 61 -17.888 -27.809 -2.939 1.00 0.00 C ATOM 966 C GLU A 61 -18.183 -27.616 -4.437 1.00 0.00 C ATOM 967 O GLU A 61 -18.739 -28.512 -5.077 1.00 0.00 O ATOM 968 CB GLU A 61 -19.063 -27.253 -2.113 1.00 0.00 C ATOM 969 CG GLU A 61 -19.268 -27.987 -0.781 1.00 0.00 C ATOM 970 CD GLU A 61 -20.116 -29.264 -0.954 1.00 0.00 C ATOM 971 OE1 GLU A 61 -19.604 -30.277 -1.488 1.00 0.00 O ATOM 972 OE2 GLU A 61 -21.306 -29.266 -0.550 1.00 0.00 O ATOM 0 H GLU A 61 -16.767 -26.446 -1.804 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.770 -28.880 -2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -18.890 -26.195 -1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -19.977 -27.322 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -18.298 -28.249 -0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -19.756 -27.320 -0.070 1.00 0.00 H new ATOM 979 N ALA A 62 -17.805 -26.470 -5.010 1.00 0.00 N ATOM 980 CA ALA A 62 -17.917 -26.193 -6.441 1.00 0.00 C ATOM 981 C ALA A 62 -16.872 -26.985 -7.247 1.00 0.00 C ATOM 982 O ALA A 62 -17.177 -27.530 -8.306 1.00 0.00 O ATOM 983 CB ALA A 62 -17.788 -24.680 -6.668 1.00 0.00 C ATOM 0 H ALA A 62 -17.405 -25.695 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.893 -26.520 -6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.870 -24.464 -7.733 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -18.582 -24.162 -6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.820 -24.338 -6.302 1.00 0.00 H new ATOM 989 N THR A 63 -15.646 -27.104 -6.733 1.00 0.00 N ATOM 990 CA THR A 63 -14.556 -27.871 -7.364 1.00 0.00 C ATOM 991 C THR A 63 -14.851 -29.371 -7.383 1.00 0.00 C ATOM 992 O THR A 63 -14.664 -30.025 -8.411 1.00 0.00 O ATOM 993 CB THR A 63 -13.201 -27.640 -6.663 1.00 0.00 C ATOM 994 OG1 THR A 63 -13.245 -26.520 -5.816 1.00 0.00 O ATOM 995 CG2 THR A 63 -12.086 -27.379 -7.669 1.00 0.00 C ATOM 0 H THR A 63 -15.373 -26.666 -5.853 1.00 0.00 H new ATOM 0 HA THR A 63 -14.492 -27.504 -8.389 1.00 0.00 H new ATOM 0 HB THR A 63 -13.003 -28.549 -6.095 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.508 -25.730 -6.332 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.147 -27.221 -7.139 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.987 -28.237 -8.334 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.325 -26.492 -8.255 1.00 0.00 H new ATOM 1003 N LEU A 64 -15.325 -29.924 -6.259 1.00 0.00 N ATOM 1004 CA LEU A 64 -15.721 -31.327 -6.104 1.00 0.00 C ATOM 1005 C LEU A 64 -16.784 -31.749 -7.129 1.00 0.00 C ATOM 1006 O LEU A 64 -16.595 -32.760 -7.805 1.00 0.00 O ATOM 1007 CB LEU A 64 -16.189 -31.587 -4.652 1.00 0.00 C ATOM 1008 CG LEU A 64 -15.108 -32.236 -3.754 1.00 0.00 C ATOM 1009 CD1 LEU A 64 -14.718 -31.372 -2.554 1.00 0.00 C ATOM 1010 CD2 LEU A 64 -15.604 -33.578 -3.220 1.00 0.00 C ATOM 0 H LEU A 64 -15.447 -29.385 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 64 -14.847 -31.947 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -16.500 -30.642 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -17.066 -32.233 -4.673 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.230 -32.357 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.957 -31.886 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.323 -30.419 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.596 -31.194 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.835 -34.025 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -16.510 -33.424 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -15.821 -34.244 -4.055 1.00 0.00 H new ATOM 1022 N GLN A 65 -17.878 -30.988 -7.265 1.00 0.00 N ATOM 1023 CA GLN A 65 -18.947 -31.306 -8.226 1.00 0.00 C ATOM 1024 C GLN A 65 -18.557 -31.070 -9.702 1.00 0.00 C ATOM 1025 O GLN A 65 -19.111 -31.727 -10.587 1.00 0.00 O ATOM 1026 CB GLN A 65 -20.244 -30.568 -7.849 1.00 0.00 C ATOM 1027 CG GLN A 65 -20.202 -29.050 -8.078 1.00 0.00 C ATOM 1028 CD GLN A 65 -21.417 -28.356 -7.471 1.00 0.00 C ATOM 1029 OE1 GLN A 65 -22.393 -28.037 -8.140 1.00 0.00 O ATOM 1030 NE2 GLN A 65 -21.407 -28.102 -6.179 1.00 0.00 N ATOM 0 H GLN A 65 -18.048 -30.143 -6.719 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.119 -32.380 -8.153 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.067 -30.987 -8.428 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -20.463 -30.758 -6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -19.292 -28.641 -7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.161 -28.844 -9.148 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -20.599 -28.364 -5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -22.207 -27.643 -5.743 1.00 0.00 H new ATOM 1039 N GLN A 66 -17.610 -30.164 -9.983 1.00 0.00 N ATOM 1040 CA GLN A 66 -17.092 -29.923 -11.338 1.00 0.00 C ATOM 1041 C GLN A 66 -16.160 -31.045 -11.830 1.00 0.00 C ATOM 1042 O GLN A 66 -16.244 -31.435 -12.999 1.00 0.00 O ATOM 1043 CB GLN A 66 -16.369 -28.565 -11.397 1.00 0.00 C ATOM 1044 CG GLN A 66 -17.324 -27.358 -11.427 1.00 0.00 C ATOM 1045 CD GLN A 66 -17.907 -27.077 -12.815 1.00 0.00 C ATOM 1046 OE1 GLN A 66 -18.561 -27.905 -13.436 1.00 0.00 O ATOM 1047 NE2 GLN A 66 -17.703 -25.897 -13.364 1.00 0.00 N ATOM 0 H GLN A 66 -17.179 -29.574 -9.272 1.00 0.00 H new ATOM 0 HA GLN A 66 -17.952 -29.910 -12.008 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.711 -28.475 -10.533 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -15.736 -28.538 -12.284 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -18.141 -27.533 -10.727 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -16.790 -26.473 -11.079 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -17.161 -25.190 -12.867 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -18.087 -25.690 -14.286 1.00 0.00 H new ATOM 1056 N LEU A 67 -15.275 -31.573 -10.973 1.00 0.00 N ATOM 1057 CA LEU A 67 -14.395 -32.700 -11.322 1.00 0.00 C ATOM 1058 C LEU A 67 -15.168 -34.035 -11.392 1.00 0.00 C ATOM 1059 O LEU A 67 -16.171 -34.233 -10.706 1.00 0.00 O ATOM 1060 CB LEU A 67 -13.219 -32.751 -10.322 1.00 0.00 C ATOM 1061 CG LEU A 67 -12.065 -33.702 -10.709 1.00 0.00 C ATOM 1062 CD1 LEU A 67 -11.391 -33.275 -12.016 1.00 0.00 C ATOM 1063 CD2 LEU A 67 -10.991 -33.731 -9.623 1.00 0.00 C ATOM 0 H LEU A 67 -15.148 -31.233 -10.020 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.993 -32.543 -12.323 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.816 -31.745 -10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -13.605 -33.052 -9.348 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.511 -34.689 -10.831 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.585 -33.969 -12.253 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.124 -33.281 -12.822 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.983 -32.270 -11.904 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.191 -34.408 -9.921 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.586 -32.729 -9.485 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -11.429 -34.077 -8.687 1.00 0.00 H new ATOM 1075 N GLU A 68 -14.674 -34.978 -12.198 1.00 0.00 N ATOM 1076 CA GLU A 68 -15.301 -36.278 -12.488 1.00 0.00 C ATOM 1077 C GLU A 68 -14.284 -37.441 -12.430 1.00 0.00 C ATOM 1078 O GLU A 68 -14.118 -38.214 -13.377 1.00 0.00 O ATOM 1079 CB GLU A 68 -16.091 -36.192 -13.812 1.00 0.00 C ATOM 1080 CG GLU A 68 -15.296 -35.627 -15.003 1.00 0.00 C ATOM 1081 CD GLU A 68 -16.099 -35.746 -16.314 1.00 0.00 C ATOM 1082 OE1 GLU A 68 -17.115 -35.027 -16.482 1.00 0.00 O ATOM 1083 OE2 GLU A 68 -15.713 -36.550 -17.200 1.00 0.00 O ATOM 0 H GLU A 68 -13.789 -34.855 -12.689 1.00 0.00 H new ATOM 0 HA GLU A 68 -16.021 -36.513 -11.704 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -16.447 -37.189 -14.071 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.972 -35.570 -13.653 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.051 -34.581 -14.817 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.352 -36.163 -15.101 1.00 0.00 H new ATOM 1090 N ALA A 69 -13.582 -37.554 -11.297 1.00 0.00 N ATOM 1091 CA ALA A 69 -12.563 -38.572 -11.017 1.00 0.00 C ATOM 1092 C ALA A 69 -12.594 -39.009 -9.533 1.00 0.00 C ATOM 1093 O ALA A 69 -12.996 -38.208 -8.683 1.00 0.00 O ATOM 1094 CB ALA A 69 -11.199 -37.958 -11.382 1.00 0.00 C ATOM 0 H ALA A 69 -13.714 -36.911 -10.516 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.753 -39.470 -11.606 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.410 -38.684 -11.188 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.192 -37.688 -12.438 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.028 -37.067 -10.778 1.00 0.00 H new ATOM 1100 N PRO A 70 -12.081 -40.206 -9.170 1.00 0.00 N ATOM 1101 CA PRO A 70 -11.983 -40.647 -7.769 1.00 0.00 C ATOM 1102 C PRO A 70 -11.010 -39.798 -6.927 1.00 0.00 C ATOM 1103 O PRO A 70 -11.026 -39.860 -5.698 1.00 0.00 O ATOM 1104 CB PRO A 70 -11.550 -42.117 -7.832 1.00 0.00 C ATOM 1105 CG PRO A 70 -10.799 -42.215 -9.158 1.00 0.00 C ATOM 1106 CD PRO A 70 -11.556 -41.239 -10.057 1.00 0.00 C ATOM 0 HA PRO A 70 -12.941 -40.525 -7.264 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.912 -42.383 -6.989 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.408 -42.789 -7.807 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.751 -41.934 -9.050 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.817 -43.229 -9.558 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.896 -40.809 -10.810 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -12.362 -41.743 -10.590 1.00 0.00 H new ATOM 1114 N TYR A 71 -10.201 -38.956 -7.580 1.00 0.00 N ATOM 1115 CA TYR A 71 -9.266 -37.997 -6.991 1.00 0.00 C ATOM 1116 C TYR A 71 -9.960 -36.996 -6.042 1.00 0.00 C ATOM 1117 O TYR A 71 -9.351 -36.564 -5.063 1.00 0.00 O ATOM 1118 CB TYR A 71 -8.530 -37.262 -8.132 1.00 0.00 C ATOM 1119 CG TYR A 71 -7.471 -38.066 -8.891 1.00 0.00 C ATOM 1120 CD1 TYR A 71 -7.790 -39.261 -9.574 1.00 0.00 C ATOM 1121 CD2 TYR A 71 -6.147 -37.585 -8.944 1.00 0.00 C ATOM 1122 CE1 TYR A 71 -6.794 -39.985 -10.259 1.00 0.00 C ATOM 1123 CE2 TYR A 71 -5.148 -38.299 -9.637 1.00 0.00 C ATOM 1124 CZ TYR A 71 -5.466 -39.508 -10.287 1.00 0.00 C ATOM 1125 OH TYR A 71 -4.494 -40.202 -10.942 1.00 0.00 O ATOM 0 H TYR A 71 -10.183 -38.926 -8.599 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.552 -38.544 -6.376 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.273 -36.914 -8.849 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -8.051 -36.376 -7.714 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.807 -39.623 -9.571 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.895 -36.659 -8.448 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.047 -40.906 -10.763 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.138 -37.919 -9.670 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.641 -39.727 -10.859 1.00 0.00 H new ATOM 1135 N ASN A 72 -11.237 -36.653 -6.280 1.00 0.00 N ATOM 1136 CA ASN A 72 -12.025 -35.787 -5.389 1.00 0.00 C ATOM 1137 C ASN A 72 -12.596 -36.492 -4.138 1.00 0.00 C ATOM 1138 O ASN A 72 -13.072 -35.807 -3.232 1.00 0.00 O ATOM 1139 CB ASN A 72 -13.139 -35.068 -6.184 1.00 0.00 C ATOM 1140 CG ASN A 72 -14.243 -35.957 -6.751 1.00 0.00 C ATOM 1141 OD1 ASN A 72 -14.595 -37.000 -6.222 1.00 0.00 O ATOM 1142 ND2 ASN A 72 -14.850 -35.558 -7.845 1.00 0.00 N ATOM 0 H ASN A 72 -11.754 -36.971 -7.100 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.322 -35.052 -4.996 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.598 -34.324 -5.533 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.676 -34.527 -7.010 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.605 -36.117 -8.242 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.567 -34.689 -8.298 1.00 0.00 H new ATOM 1149 N SER A 73 -12.567 -37.831 -4.065 1.00 0.00 N ATOM 1150 CA SER A 73 -13.240 -38.605 -3.007 1.00 0.00 C ATOM 1151 C SER A 73 -12.693 -38.289 -1.605 1.00 0.00 C ATOM 1152 O SER A 73 -13.448 -38.232 -0.629 1.00 0.00 O ATOM 1153 CB SER A 73 -13.117 -40.105 -3.309 1.00 0.00 C ATOM 1154 OG SER A 73 -13.938 -40.882 -2.450 1.00 0.00 O ATOM 0 H SER A 73 -12.073 -38.413 -4.742 1.00 0.00 H new ATOM 0 HA SER A 73 -14.291 -38.315 -3.003 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.396 -40.292 -4.346 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.078 -40.415 -3.198 1.00 0.00 H new ATOM 0 HG SER A 73 -13.836 -41.831 -2.671 1.00 0.00 H new ATOM 1160 N ASP A 74 -11.391 -38.007 -1.505 1.00 0.00 N ATOM 1161 CA ASP A 74 -10.756 -37.420 -0.325 1.00 0.00 C ATOM 1162 C ASP A 74 -11.002 -35.895 -0.279 1.00 0.00 C ATOM 1163 O ASP A 74 -10.211 -35.096 -0.791 1.00 0.00 O ATOM 1164 CB ASP A 74 -9.263 -37.793 -0.311 1.00 0.00 C ATOM 1165 CG ASP A 74 -8.591 -37.504 1.042 1.00 0.00 C ATOM 1166 OD1 ASP A 74 -8.992 -36.544 1.739 1.00 0.00 O ATOM 1167 OD2 ASP A 74 -7.652 -38.249 1.411 1.00 0.00 O ATOM 0 H ASP A 74 -10.733 -38.186 -2.264 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.202 -37.826 0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.155 -38.852 -0.547 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.747 -37.238 -1.094 1.00 0.00 H new ATOM 1172 N THR A 75 -12.120 -35.483 0.329 1.00 0.00 N ATOM 1173 CA THR A 75 -12.492 -34.071 0.549 1.00 0.00 C ATOM 1174 C THR A 75 -11.421 -33.298 1.320 1.00 0.00 C ATOM 1175 O THR A 75 -11.090 -32.168 0.962 1.00 0.00 O ATOM 1176 CB THR A 75 -13.818 -33.956 1.324 1.00 0.00 C ATOM 1177 OG1 THR A 75 -13.811 -34.815 2.449 1.00 0.00 O ATOM 1178 CG2 THR A 75 -15.025 -34.330 0.466 1.00 0.00 C ATOM 0 H THR A 75 -12.813 -36.136 0.693 1.00 0.00 H new ATOM 0 HA THR A 75 -12.598 -33.636 -0.445 1.00 0.00 H new ATOM 0 HB THR A 75 -13.903 -32.913 1.628 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.660 -34.729 2.932 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.936 -34.233 1.057 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.079 -33.665 -0.396 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.923 -35.360 0.123 1.00 0.00 H new ATOM 1186 N VAL A 76 -10.841 -33.909 2.357 1.00 0.00 N ATOM 1187 CA VAL A 76 -9.805 -33.319 3.219 1.00 0.00 C ATOM 1188 C VAL A 76 -8.582 -32.880 2.403 1.00 0.00 C ATOM 1189 O VAL A 76 -8.080 -31.776 2.622 1.00 0.00 O ATOM 1190 CB VAL A 76 -9.417 -34.283 4.362 1.00 0.00 C ATOM 1191 CG1 VAL A 76 -8.449 -33.631 5.354 1.00 0.00 C ATOM 1192 CG2 VAL A 76 -10.650 -34.738 5.161 1.00 0.00 C ATOM 0 H VAL A 76 -11.086 -34.860 2.631 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.222 -32.422 3.677 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.941 -35.136 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.201 -34.342 6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.538 -33.335 4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.917 -32.751 5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.339 -35.415 5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.143 -33.869 5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.344 -35.253 4.497 1.00 0.00 H new ATOM 1202 N LEU A 77 -8.152 -33.681 1.419 1.00 0.00 N ATOM 1203 CA LEU A 77 -7.094 -33.340 0.455 1.00 0.00 C ATOM 1204 C LEU A 77 -7.407 -32.027 -0.287 1.00 0.00 C ATOM 1205 O LEU A 77 -6.585 -31.110 -0.300 1.00 0.00 O ATOM 1206 CB LEU A 77 -6.896 -34.514 -0.535 1.00 0.00 C ATOM 1207 CG LEU A 77 -5.463 -34.767 -1.043 1.00 0.00 C ATOM 1208 CD1 LEU A 77 -4.755 -33.518 -1.568 1.00 0.00 C ATOM 1209 CD2 LEU A 77 -4.589 -35.391 0.047 1.00 0.00 C ATOM 0 H LEU A 77 -8.541 -34.611 1.266 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.164 -33.179 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.251 -35.426 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.536 -34.339 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.588 -35.454 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.753 -33.783 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.321 -33.102 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.686 -32.777 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.585 -35.557 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.539 -34.718 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.019 -36.343 0.358 1.00 0.00 H new ATOM 1221 N VAL A 78 -8.612 -31.912 -0.863 1.00 0.00 N ATOM 1222 CA VAL A 78 -9.094 -30.700 -1.553 1.00 0.00 C ATOM 1223 C VAL A 78 -9.036 -29.487 -0.621 1.00 0.00 C ATOM 1224 O VAL A 78 -8.447 -28.465 -0.974 1.00 0.00 O ATOM 1225 CB VAL A 78 -10.524 -30.872 -2.118 1.00 0.00 C ATOM 1226 CG1 VAL A 78 -10.895 -29.698 -3.032 1.00 0.00 C ATOM 1227 CG2 VAL A 78 -10.676 -32.174 -2.917 1.00 0.00 C ATOM 0 H VAL A 78 -9.294 -32.671 -0.864 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.428 -30.533 -2.399 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.192 -30.905 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.905 -29.842 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.852 -28.768 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.193 -29.649 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.696 -32.252 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.978 -32.170 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.462 -33.025 -2.270 1.00 0.00 H new ATOM 1237 N HIS A 79 -9.593 -29.608 0.589 1.00 0.00 N ATOM 1238 CA HIS A 79 -9.604 -28.539 1.593 1.00 0.00 C ATOM 1239 C HIS A 79 -8.177 -28.075 1.952 1.00 0.00 C ATOM 1240 O HIS A 79 -7.934 -26.869 2.043 1.00 0.00 O ATOM 1241 CB HIS A 79 -10.356 -28.996 2.855 1.00 0.00 C ATOM 1242 CG HIS A 79 -11.852 -29.207 2.743 1.00 0.00 C ATOM 1243 ND1 HIS A 79 -12.745 -29.059 3.786 1.00 0.00 N ATOM 1244 CD2 HIS A 79 -12.567 -29.654 1.662 1.00 0.00 C ATOM 1245 CE1 HIS A 79 -13.963 -29.422 3.348 1.00 0.00 C ATOM 1246 NE2 HIS A 79 -13.898 -29.809 2.064 1.00 0.00 N ATOM 0 H HIS A 79 -10.055 -30.462 0.902 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.126 -27.686 1.160 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.909 -29.931 3.192 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -10.179 -28.258 3.637 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -12.173 -29.851 0.676 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.864 -29.405 3.943 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -14.670 -30.150 1.492 1.00 0.00 H new ATOM 1254 N ARG A 80 -7.221 -29.008 2.113 1.00 0.00 N ATOM 1255 CA ARG A 80 -5.792 -28.703 2.327 1.00 0.00 C ATOM 1256 C ARG A 80 -5.217 -27.904 1.158 1.00 0.00 C ATOM 1257 O ARG A 80 -4.754 -26.784 1.370 1.00 0.00 O ATOM 1258 CB ARG A 80 -4.951 -29.976 2.574 1.00 0.00 C ATOM 1259 CG ARG A 80 -4.641 -30.272 4.053 1.00 0.00 C ATOM 1260 CD ARG A 80 -5.681 -31.141 4.767 1.00 0.00 C ATOM 1261 NE ARG A 80 -6.974 -30.459 4.971 1.00 0.00 N ATOM 1262 CZ ARG A 80 -7.325 -29.668 5.970 1.00 0.00 C ATOM 1263 NH1 ARG A 80 -6.488 -29.318 6.905 1.00 0.00 N ATOM 1264 NH2 ARG A 80 -8.540 -29.211 6.060 1.00 0.00 N ATOM 0 H ARG A 80 -7.420 -30.008 2.098 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.735 -28.093 3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.479 -30.830 2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.010 -29.883 2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.672 -30.766 4.114 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.551 -29.326 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.845 -32.049 4.187 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.284 -31.449 5.735 1.00 0.00 H new ATOM 0 HE ARG A 80 -7.682 -30.617 4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.526 -29.656 6.881 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.795 -28.706 7.661 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.233 -29.463 5.355 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.799 -28.601 6.835 1.00 0.00 H new ATOM 1278 N VAL A 81 -5.253 -28.455 -0.062 1.00 0.00 N ATOM 1279 CA VAL A 81 -4.686 -27.812 -1.266 1.00 0.00 C ATOM 1280 C VAL A 81 -5.224 -26.389 -1.433 1.00 0.00 C ATOM 1281 O VAL A 81 -4.431 -25.462 -1.582 1.00 0.00 O ATOM 1282 CB VAL A 81 -4.905 -28.655 -2.542 1.00 0.00 C ATOM 1283 CG1 VAL A 81 -4.414 -27.925 -3.802 1.00 0.00 C ATOM 1284 CG2 VAL A 81 -4.126 -29.974 -2.457 1.00 0.00 C ATOM 0 H VAL A 81 -5.677 -29.364 -0.248 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.608 -27.749 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.978 -28.833 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.587 -28.552 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.959 -26.988 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.348 -27.717 -3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.293 -30.554 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.062 -29.762 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.469 -30.544 -1.594 1.00 0.00 H new ATOM 1294 N HIS A 82 -6.543 -26.197 -1.328 1.00 0.00 N ATOM 1295 CA HIS A 82 -7.191 -24.882 -1.362 1.00 0.00 C ATOM 1296 C HIS A 82 -6.655 -23.932 -0.277 1.00 0.00 C ATOM 1297 O HIS A 82 -6.201 -22.834 -0.598 1.00 0.00 O ATOM 1298 CB HIS A 82 -8.711 -25.046 -1.229 1.00 0.00 C ATOM 1299 CG HIS A 82 -9.390 -25.471 -2.506 1.00 0.00 C ATOM 1300 ND1 HIS A 82 -10.453 -24.821 -3.090 1.00 0.00 N ATOM 1301 CD2 HIS A 82 -9.059 -26.532 -3.309 1.00 0.00 C ATOM 1302 CE1 HIS A 82 -10.759 -25.480 -4.218 1.00 0.00 C ATOM 1303 NE2 HIS A 82 -9.938 -26.530 -4.395 1.00 0.00 N ATOM 0 H HIS A 82 -7.203 -26.967 -1.215 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.955 -24.426 -2.324 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -8.921 -25.783 -0.454 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -9.141 -24.101 -0.896 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -10.923 -23.990 -2.731 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -8.263 -27.241 -3.134 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -11.556 -25.204 -4.892 1.00 0.00 H new ATOM 1311 N SER A 83 -6.669 -24.354 0.992 1.00 0.00 N ATOM 1312 CA SER A 83 -6.198 -23.552 2.133 1.00 0.00 C ATOM 1313 C SER A 83 -4.740 -23.089 1.990 1.00 0.00 C ATOM 1314 O SER A 83 -4.404 -21.960 2.358 1.00 0.00 O ATOM 1315 CB SER A 83 -6.399 -24.353 3.422 1.00 0.00 C ATOM 1316 OG SER A 83 -6.023 -23.585 4.553 1.00 0.00 O ATOM 0 H SER A 83 -7.012 -25.276 1.262 1.00 0.00 H new ATOM 0 HA SER A 83 -6.791 -22.638 2.164 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.443 -24.653 3.511 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.807 -25.267 3.384 1.00 0.00 H new ATOM 0 HG SER A 83 -5.976 -24.165 5.341 1.00 0.00 H new ATOM 1322 N TYR A 84 -3.863 -23.921 1.416 1.00 0.00 N ATOM 1323 CA TYR A 84 -2.505 -23.510 1.047 1.00 0.00 C ATOM 1324 C TYR A 84 -2.474 -22.541 -0.149 1.00 0.00 C ATOM 1325 O TYR A 84 -1.860 -21.480 -0.049 1.00 0.00 O ATOM 1326 CB TYR A 84 -1.613 -24.732 0.827 1.00 0.00 C ATOM 1327 CG TYR A 84 -1.071 -25.304 2.129 1.00 0.00 C ATOM 1328 CD1 TYR A 84 0.037 -24.693 2.748 1.00 0.00 C ATOM 1329 CD2 TYR A 84 -1.670 -26.429 2.728 1.00 0.00 C ATOM 1330 CE1 TYR A 84 0.547 -25.206 3.957 1.00 0.00 C ATOM 1331 CE2 TYR A 84 -1.174 -26.938 3.945 1.00 0.00 C ATOM 1332 CZ TYR A 84 -0.062 -26.326 4.562 1.00 0.00 C ATOM 1333 OH TYR A 84 0.424 -26.803 5.741 1.00 0.00 O ATOM 0 H TYR A 84 -4.074 -24.894 1.195 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.100 -22.945 1.887 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.181 -25.502 0.305 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.780 -24.457 0.181 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.497 -23.828 2.294 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.515 -26.905 2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.405 -24.742 4.421 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.644 -27.795 4.405 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.107 -27.576 6.025 1.00 0.00 H new ATOM 1343 N LEU A 85 -3.160 -22.840 -1.257 1.00 0.00 N ATOM 1344 CA LEU A 85 -3.235 -21.963 -2.440 1.00 0.00 C ATOM 1345 C LEU A 85 -3.713 -20.539 -2.089 1.00 0.00 C ATOM 1346 O LEU A 85 -3.161 -19.547 -2.567 1.00 0.00 O ATOM 1347 CB LEU A 85 -4.148 -22.615 -3.504 1.00 0.00 C ATOM 1348 CG LEU A 85 -3.484 -22.746 -4.882 1.00 0.00 C ATOM 1349 CD1 LEU A 85 -4.314 -23.668 -5.773 1.00 0.00 C ATOM 1350 CD2 LEU A 85 -3.338 -21.397 -5.584 1.00 0.00 C ATOM 0 H LEU A 85 -3.687 -23.707 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.229 -21.853 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.447 -23.604 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.058 -22.023 -3.603 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.488 -23.158 -4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.837 -23.757 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.383 -24.653 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.315 -23.253 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.863 -21.541 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.323 -20.951 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.724 -20.734 -4.975 1.00 0.00 H new ATOM 1362 N GLU A 86 -4.722 -20.437 -1.224 1.00 0.00 N ATOM 1363 CA GLU A 86 -5.299 -19.179 -0.745 1.00 0.00 C ATOM 1364 C GLU A 86 -4.369 -18.422 0.223 1.00 0.00 C ATOM 1365 O GLU A 86 -4.261 -17.198 0.111 1.00 0.00 O ATOM 1366 CB GLU A 86 -6.678 -19.457 -0.119 1.00 0.00 C ATOM 1367 CG GLU A 86 -7.690 -19.856 -1.211 1.00 0.00 C ATOM 1368 CD GLU A 86 -9.064 -20.298 -0.661 1.00 0.00 C ATOM 1369 OE1 GLU A 86 -9.124 -21.121 0.284 1.00 0.00 O ATOM 1370 OE2 GLU A 86 -10.100 -19.875 -1.229 1.00 0.00 O ATOM 0 H GLU A 86 -5.177 -21.257 -0.823 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.422 -18.516 -1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.596 -20.255 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.031 -18.570 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.834 -19.011 -1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.269 -20.668 -1.804 1.00 0.00 H new ATOM 1377 N ARG A 87 -3.655 -19.106 1.136 1.00 0.00 N ATOM 1378 CA ARG A 87 -2.669 -18.453 2.030 1.00 0.00 C ATOM 1379 C ARG A 87 -1.368 -18.040 1.321 1.00 0.00 C ATOM 1380 O ARG A 87 -0.722 -17.088 1.760 1.00 0.00 O ATOM 1381 CB ARG A 87 -2.417 -19.289 3.306 1.00 0.00 C ATOM 1382 CG ARG A 87 -1.304 -20.342 3.176 1.00 0.00 C ATOM 1383 CD ARG A 87 -1.155 -21.237 4.411 1.00 0.00 C ATOM 1384 NE ARG A 87 -2.277 -22.183 4.569 1.00 0.00 N ATOM 1385 CZ ARG A 87 -2.297 -23.233 5.372 1.00 0.00 C ATOM 1386 NH1 ARG A 87 -1.285 -23.544 6.134 1.00 0.00 N ATOM 1387 NH2 ARG A 87 -3.342 -23.999 5.443 1.00 0.00 N ATOM 0 H ARG A 87 -3.740 -20.113 1.277 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.122 -17.513 2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.165 -18.613 4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.343 -19.792 3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.508 -20.968 2.307 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.357 -19.836 2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.222 -21.796 4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.084 -20.612 5.301 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.112 -22.011 4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.442 -22.969 6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.336 -24.362 6.741 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.164 -23.795 4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.342 -24.805 6.068 1.00 0.00 H new ATOM 1401 N HIS A 88 -0.988 -18.709 0.224 1.00 0.00 N ATOM 1402 CA HIS A 88 0.166 -18.340 -0.616 1.00 0.00 C ATOM 1403 C HIS A 88 0.002 -16.968 -1.304 1.00 0.00 C ATOM 1404 O HIS A 88 0.999 -16.313 -1.613 1.00 0.00 O ATOM 1405 CB HIS A 88 0.408 -19.409 -1.698 1.00 0.00 C ATOM 1406 CG HIS A 88 0.921 -20.752 -1.230 1.00 0.00 C ATOM 1407 ND1 HIS A 88 1.330 -21.098 0.042 1.00 0.00 N ATOM 1408 CD2 HIS A 88 1.096 -21.850 -2.031 1.00 0.00 C ATOM 1409 CE1 HIS A 88 1.731 -22.381 0.009 1.00 0.00 C ATOM 1410 NE2 HIS A 88 1.608 -22.880 -1.232 1.00 0.00 N ATOM 0 H HIS A 88 -1.481 -19.536 -0.113 1.00 0.00 H new ATOM 0 HA HIS A 88 1.020 -18.275 0.059 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.529 -19.571 -2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 88 1.119 -19.007 -2.419 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.878 -21.910 -3.087 1.00 0.00 H new ATOM 0 HE1 HIS A 88 2.100 -22.933 0.861 1.00 0.00 H new ATOM 0 HE2 HIS A 88 1.842 -23.826 -1.534 1.00 0.00 H new ATOM 1418 N GLY A 89 -1.239 -16.524 -1.544 1.00 0.00 N ATOM 1419 CA GLY A 89 -1.547 -15.252 -2.205 1.00 0.00 C ATOM 1420 C GLY A 89 -1.165 -15.231 -3.692 1.00 0.00 C ATOM 1421 O GLY A 89 -0.454 -14.329 -4.136 1.00 0.00 O ATOM 0 H GLY A 89 -2.072 -17.050 -1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.614 -15.049 -2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.022 -14.447 -1.691 1.00 0.00 H new