USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 641 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 59 ASN : amide:sc= -1.04 K(o=-1.3,f=-6.6!) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.284 K(o=-1.3,f=-3.5) USER MOD Set 2.1: A 6 THR OG1 : rot -153:sc= 0.952 USER MOD Set 2.2: A 47 SER OG : rot 108:sc= 1.69 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -0.769 K(o=1.9,f=-1.2) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -147:sc= 0.548 (180deg=-0.115) USER MOD Set 3.2: A 40 TYR OH : rot -153:sc= 0.982 USER MOD Set 4.1: A 4 ASN : amide:sc= 0.642 K(o=1.3,f=-2.8) USER MOD Set 4.2: A 30 LYS NZ :NH3+ -172:sc= 0.676 (180deg=-0.187) USER MOD Set 5.1: A 16 SER OG : rot -38:sc= -0.114 USER MOD Set 5.2: A 56 GLN : amide:sc= 0.138 K(o=0.024,f=-2.7!) USER MOD Single : A 7 ASN : amide:sc= -0.526 K(o=-0.53,f=-3.2!) USER MOD Single : A 22 ASN : amide:sc= 0.967 K(o=0.97,f=-1.5) USER MOD Single : A 24 ASN : amide:sc= -0.757 X(o=-0.76,f=-0.58) USER MOD Single : A 25 THR OG1 : rot -16:sc= 0.769 USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 0.00935 (180deg=-0.233) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 38 SER OG : rot -28:sc= 0.0876 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 141:sc= 0.396 USER MOD Single : A 50 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.074) USER MOD Single : A 57 TYR OH : rot -28:sc= -0.707 USER MOD Single : A 74 MET CE :methyl -168:sc= -1.05 (180deg=-1.09) USER MOD Single : A 78 GLN : amide:sc= -0.777 K(o=-0.78,f=-0.064) USER MOD Single : A 83 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.35) USER MOD Single : A 98 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.155) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -167:sc=-9.35e-06 (180deg=-0.214) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N ASN A 4 9.725 10.353 0.341 1.00 0.00 N ATOM 25 CA ASN A 4 9.685 9.512 1.530 1.00 0.00 C ATOM 26 C ASN A 4 8.382 9.712 2.302 1.00 0.00 C ATOM 27 O ASN A 4 8.147 9.026 3.294 1.00 0.00 O ATOM 28 CB ASN A 4 10.890 9.839 2.418 1.00 0.00 C ATOM 29 CG ASN A 4 12.216 9.441 1.785 1.00 0.00 C ATOM 30 OD1 ASN A 4 12.260 8.647 0.848 1.00 0.00 O ATOM 31 ND2 ASN A 4 13.312 9.992 2.294 1.00 0.00 N ATOM 0 HA ASN A 4 9.729 8.466 1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 4 10.900 10.908 2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 4 10.781 9.326 3.374 1.00 0.00 H new ATOM 0 HD21 ASN A 4 14.227 9.760 1.907 1.00 0.00 H new ATOM 0 HD22 ASN A 4 13.239 10.647 3.072 1.00 0.00 H new ATOM 38 N VAL A 5 7.535 10.649 1.860 1.00 0.00 N ATOM 39 CA VAL A 5 6.315 10.997 2.574 1.00 0.00 C ATOM 40 C VAL A 5 5.124 10.179 2.085 1.00 0.00 C ATOM 41 O VAL A 5 4.911 10.034 0.882 1.00 0.00 O ATOM 42 CB VAL A 5 6.068 12.505 2.477 1.00 0.00 C ATOM 43 CG1 VAL A 5 4.771 12.893 3.178 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.220 13.240 3.162 1.00 0.00 C ATOM 0 H VAL A 5 7.680 11.181 1.002 1.00 0.00 H new ATOM 0 HA VAL A 5 6.440 10.745 3.627 1.00 0.00 H new ATOM 0 HB VAL A 5 5.998 12.776 1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.620 13.969 3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.935 12.372 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.829 12.616 4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.054 14.315 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.271 12.942 4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.158 12.988 2.667 1.00 0.00 H new ATOM 54 N THR A 6 4.353 9.650 3.038 1.00 0.00 N ATOM 55 CA THR A 6 3.191 8.810 2.777 1.00 0.00 C ATOM 56 C THR A 6 2.125 8.954 3.866 1.00 0.00 C ATOM 57 O THR A 6 1.137 8.231 3.834 1.00 0.00 O ATOM 58 CB THR A 6 3.612 7.334 2.709 1.00 0.00 C ATOM 59 OG1 THR A 6 4.215 6.951 3.923 1.00 0.00 O ATOM 60 CG2 THR A 6 4.609 7.056 1.586 1.00 0.00 C ATOM 0 H THR A 6 4.526 9.799 4.032 1.00 0.00 H new ATOM 0 HA THR A 6 2.770 9.136 1.826 1.00 0.00 H new ATOM 0 HB THR A 6 2.703 6.763 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.838 6.212 3.760 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.871 5.998 1.586 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.161 7.319 0.628 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.508 7.652 1.742 1.00 0.00 H new ATOM 68 N ASN A 7 2.287 9.865 4.836 1.00 0.00 N ATOM 69 CA ASN A 7 1.376 9.930 5.977 1.00 0.00 C ATOM 70 C ASN A 7 0.376 11.086 5.920 1.00 0.00 C ATOM 71 O ASN A 7 -0.173 11.467 6.953 1.00 0.00 O ATOM 72 CB ASN A 7 2.164 9.877 7.288 1.00 0.00 C ATOM 73 CG ASN A 7 2.943 11.146 7.597 1.00 0.00 C ATOM 74 OD1 ASN A 7 2.822 12.156 6.910 1.00 0.00 O ATOM 75 ND2 ASN A 7 3.755 11.096 8.646 1.00 0.00 N ATOM 0 H ASN A 7 3.034 10.559 4.850 1.00 0.00 H new ATOM 0 HA ASN A 7 0.742 9.045 5.926 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.472 9.680 8.107 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.859 9.038 7.248 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.305 11.915 8.905 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.829 10.238 9.193 1.00 0.00 H new ATOM 210 N SER A 16 -5.674 7.842 -2.169 1.00 0.00 N ATOM 211 CA SER A 16 -4.711 7.547 -3.219 1.00 0.00 C ATOM 212 C SER A 16 -3.489 6.818 -2.653 1.00 0.00 C ATOM 213 O SER A 16 -2.519 6.588 -3.372 1.00 0.00 O ATOM 214 CB SER A 16 -4.326 8.833 -3.941 1.00 0.00 C ATOM 215 OG SER A 16 -3.739 9.741 -3.037 1.00 0.00 O ATOM 0 HA SER A 16 -5.168 6.876 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.629 8.611 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.209 9.281 -4.397 1.00 0.00 H new ATOM 0 HG SER A 16 -4.204 9.692 -2.176 1.00 0.00 H new ATOM 221 N ARG A 17 -3.528 6.451 -1.367 1.00 0.00 N ATOM 222 CA ARG A 17 -2.465 5.709 -0.707 1.00 0.00 C ATOM 223 C ARG A 17 -2.850 4.236 -0.594 1.00 0.00 C ATOM 224 O ARG A 17 -4.033 3.902 -0.566 1.00 0.00 O ATOM 225 CB ARG A 17 -2.207 6.310 0.671 1.00 0.00 C ATOM 226 CG ARG A 17 -1.046 5.583 1.348 1.00 0.00 C ATOM 227 CD ARG A 17 -0.451 6.427 2.463 1.00 0.00 C ATOM 228 NE ARG A 17 -1.444 6.790 3.481 1.00 0.00 N ATOM 229 CZ ARG A 17 -1.898 8.028 3.673 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.560 9.034 2.869 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.712 8.276 4.693 1.00 0.00 N ATOM 0 H ARG A 17 -4.313 6.668 -0.753 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.550 5.777 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.977 7.371 0.577 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.104 6.231 1.285 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.394 4.632 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.277 5.353 0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.365 5.879 2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.022 7.334 2.038 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.809 6.049 4.079 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.936 8.868 2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.925 9.971 3.043 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.985 7.521 5.323 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.064 9.221 4.847 1.00 0.00 H new ATOM 245 N VAL A 18 -1.845 3.363 -0.525 1.00 0.00 N ATOM 246 CA VAL A 18 -2.045 1.933 -0.358 1.00 0.00 C ATOM 247 C VAL A 18 -1.196 1.418 0.794 1.00 0.00 C ATOM 248 O VAL A 18 -0.004 1.711 0.880 1.00 0.00 O ATOM 249 CB VAL A 18 -1.708 1.201 -1.656 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.883 -0.304 -1.474 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.653 1.681 -2.751 1.00 0.00 C ATOM 0 H VAL A 18 -0.864 3.636 -0.584 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.092 1.743 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.673 1.409 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.640 -0.814 -2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.218 -0.655 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.916 -0.520 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.422 1.165 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.682 1.467 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.532 2.755 -2.891 1.00 0.00 H new ATOM 261 N PHE A 19 -1.828 0.643 1.673 1.00 0.00 N ATOM 262 CA PHE A 19 -1.167 -0.023 2.779 1.00 0.00 C ATOM 263 C PHE A 19 -0.683 -1.401 2.327 1.00 0.00 C ATOM 264 O PHE A 19 -1.423 -2.127 1.669 1.00 0.00 O ATOM 265 CB PHE A 19 -2.154 -0.129 3.945 1.00 0.00 C ATOM 266 CG PHE A 19 -1.642 -0.890 5.145 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.390 -0.586 5.697 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.423 -1.904 5.721 1.00 0.00 C ATOM 269 CE1 PHE A 19 0.076 -1.284 6.821 1.00 0.00 C ATOM 270 CE2 PHE A 19 -1.958 -2.604 6.844 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.707 -2.295 7.393 1.00 0.00 C ATOM 0 H PHE A 19 -2.831 0.461 1.631 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.297 0.545 3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.429 0.877 4.262 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.064 -0.611 3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.219 0.189 5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.387 -2.146 5.298 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.039 -1.042 7.246 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.564 -3.381 7.285 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.347 -2.835 8.256 1.00 0.00 H new ATOM 281 N ILE A 20 0.554 -1.757 2.682 1.00 0.00 N ATOM 282 CA ILE A 20 1.149 -3.039 2.334 1.00 0.00 C ATOM 283 C ILE A 20 1.562 -3.736 3.626 1.00 0.00 C ATOM 284 O ILE A 20 2.706 -3.631 4.061 1.00 0.00 O ATOM 285 CB ILE A 20 2.345 -2.837 1.393 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.897 -2.151 0.098 1.00 0.00 C ATOM 287 CG2 ILE A 20 3.024 -4.177 1.062 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.094 -1.557 -0.643 1.00 0.00 C ATOM 0 H ILE A 20 1.172 -1.154 3.224 1.00 0.00 H new ATOM 0 HA ILE A 20 0.430 -3.662 1.803 1.00 0.00 H new ATOM 0 HB ILE A 20 3.067 -2.201 1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.387 -2.871 -0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.179 -1.364 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.867 -4.002 0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.380 -4.642 1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.307 -4.838 0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.752 -1.075 -1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.586 -0.821 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.798 -2.351 -0.892 1.00 0.00 H new ATOM 300 N GLY A 21 0.617 -4.446 4.237 1.00 0.00 N ATOM 301 CA GLY A 21 0.868 -5.188 5.460 1.00 0.00 C ATOM 302 C GLY A 21 1.436 -6.566 5.150 1.00 0.00 C ATOM 303 O GLY A 21 1.526 -6.967 3.989 1.00 0.00 O ATOM 0 H GLY A 21 -0.341 -4.520 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.566 -4.635 6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.058 -5.290 6.025 1.00 0.00 H new ATOM 307 N ASN A 22 1.821 -7.296 6.201 1.00 0.00 N ATOM 308 CA ASN A 22 2.407 -8.623 6.076 1.00 0.00 C ATOM 309 C ASN A 22 3.534 -8.629 5.039 1.00 0.00 C ATOM 310 O ASN A 22 3.579 -9.495 4.170 1.00 0.00 O ATOM 311 CB ASN A 22 1.314 -9.647 5.760 1.00 0.00 C ATOM 312 CG ASN A 22 1.818 -11.079 5.877 1.00 0.00 C ATOM 313 OD1 ASN A 22 2.834 -11.345 6.515 1.00 0.00 O ATOM 314 ND2 ASN A 22 1.108 -12.020 5.261 1.00 0.00 N ATOM 0 H ASN A 22 1.732 -6.976 7.165 1.00 0.00 H new ATOM 0 HA ASN A 22 2.860 -8.907 7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.475 -9.502 6.440 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.939 -9.477 4.751 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.402 -12.995 5.310 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.269 -11.766 4.739 1.00 0.00 H new ATOM 321 N LEU A 23 4.447 -7.660 5.128 1.00 0.00 N ATOM 322 CA LEU A 23 5.575 -7.548 4.217 1.00 0.00 C ATOM 323 C LEU A 23 6.818 -8.174 4.849 1.00 0.00 C ATOM 324 O LEU A 23 7.014 -8.065 6.059 1.00 0.00 O ATOM 325 CB LEU A 23 5.769 -6.068 3.875 1.00 0.00 C ATOM 326 CG LEU A 23 6.876 -5.812 2.852 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.601 -6.496 1.517 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.980 -4.311 2.617 1.00 0.00 C ATOM 0 H LEU A 23 4.420 -6.930 5.840 1.00 0.00 H new ATOM 0 HA LEU A 23 5.389 -8.092 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.831 -5.668 3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.998 -5.520 4.789 1.00 0.00 H new ATOM 0 HG LEU A 23 7.803 -6.222 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.416 -6.284 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.525 -7.573 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.665 -6.121 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.766 -4.110 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.030 -3.935 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.219 -3.811 3.556 1.00 0.00 H new ATOM 340 N ASN A 24 7.662 -8.830 4.043 1.00 0.00 N ATOM 341 CA ASN A 24 8.850 -9.489 4.573 1.00 0.00 C ATOM 342 C ASN A 24 9.888 -8.472 5.050 1.00 0.00 C ATOM 343 O ASN A 24 10.536 -8.685 6.069 1.00 0.00 O ATOM 344 CB ASN A 24 9.462 -10.383 3.494 1.00 0.00 C ATOM 345 CG ASN A 24 10.533 -11.290 4.089 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.353 -11.860 5.160 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.656 -11.429 3.393 1.00 0.00 N ATOM 0 H ASN A 24 7.542 -8.915 3.034 1.00 0.00 H new ATOM 0 HA ASN A 24 8.551 -10.092 5.431 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.682 -10.988 3.031 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.897 -9.766 2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.404 -12.026 3.746 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.770 -10.939 2.506 1.00 0.00 H new ATOM 354 N THR A 25 10.028 -7.376 4.298 1.00 0.00 N ATOM 355 CA THR A 25 10.939 -6.250 4.539 1.00 0.00 C ATOM 356 C THR A 25 12.421 -6.622 4.655 1.00 0.00 C ATOM 357 O THR A 25 13.266 -5.733 4.762 1.00 0.00 O ATOM 358 CB THR A 25 10.472 -5.412 5.735 1.00 0.00 C ATOM 359 OG1 THR A 25 10.646 -6.117 6.944 1.00 0.00 O ATOM 360 CG2 THR A 25 9.007 -5.026 5.587 1.00 0.00 C ATOM 0 H THR A 25 9.474 -7.242 3.452 1.00 0.00 H new ATOM 0 HA THR A 25 10.884 -5.644 3.634 1.00 0.00 H new ATOM 0 HB THR A 25 11.081 -4.508 5.758 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.784 -7.068 6.751 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.699 -4.432 6.447 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.875 -4.442 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.397 -5.928 5.531 1.00 0.00 H new ATOM 368 N LEU A 26 12.755 -7.915 4.632 1.00 0.00 N ATOM 369 CA LEU A 26 14.135 -8.377 4.692 1.00 0.00 C ATOM 370 C LEU A 26 14.748 -8.483 3.296 1.00 0.00 C ATOM 371 O LEU A 26 15.968 -8.566 3.165 1.00 0.00 O ATOM 372 CB LEU A 26 14.175 -9.735 5.395 1.00 0.00 C ATOM 373 CG LEU A 26 14.475 -9.653 6.897 1.00 0.00 C ATOM 374 CD1 LEU A 26 15.884 -9.113 7.141 1.00 0.00 C ATOM 375 CD2 LEU A 26 13.474 -8.774 7.642 1.00 0.00 C ATOM 0 H LEU A 26 12.071 -8.669 4.571 1.00 0.00 H new ATOM 0 HA LEU A 26 14.725 -7.652 5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.216 -10.234 5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.932 -10.357 4.917 1.00 0.00 H new ATOM 0 HG LEU A 26 14.393 -10.670 7.282 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.074 -9.064 8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.613 -9.774 6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.971 -8.115 6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.730 -8.749 8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.506 -7.763 7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.471 -9.182 7.521 1.00 0.00 H new ATOM 387 N VAL A 27 13.917 -8.483 2.249 1.00 0.00 N ATOM 388 CA VAL A 27 14.381 -8.574 0.868 1.00 0.00 C ATOM 389 C VAL A 27 13.804 -7.439 0.024 1.00 0.00 C ATOM 390 O VAL A 27 14.323 -7.140 -1.049 1.00 0.00 O ATOM 391 CB VAL A 27 14.013 -9.949 0.296 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.533 -10.130 -1.130 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.630 -11.060 1.151 1.00 0.00 C ATOM 0 H VAL A 27 12.903 -8.420 2.339 1.00 0.00 H new ATOM 0 HA VAL A 27 15.466 -8.469 0.844 1.00 0.00 H new ATOM 0 HB VAL A 27 12.925 -10.007 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.251 -11.117 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.100 -9.365 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.619 -10.038 -1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.362 -12.031 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.715 -10.955 1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.253 -10.986 2.171 1.00 0.00 H new ATOM 403 N VAL A 28 12.730 -6.797 0.500 1.00 0.00 N ATOM 404 CA VAL A 28 12.118 -5.670 -0.199 1.00 0.00 C ATOM 405 C VAL A 28 12.359 -4.374 0.571 1.00 0.00 C ATOM 406 O VAL A 28 12.287 -4.352 1.799 1.00 0.00 O ATOM 407 CB VAL A 28 10.625 -5.929 -0.422 1.00 0.00 C ATOM 408 CG1 VAL A 28 9.968 -4.764 -1.162 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.446 -7.189 -1.268 1.00 0.00 C ATOM 0 H VAL A 28 12.267 -7.045 1.374 1.00 0.00 H new ATOM 0 HA VAL A 28 12.584 -5.563 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 28 10.156 -6.046 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.909 -4.976 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.079 -3.852 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.447 -4.633 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.383 -7.373 -1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.938 -7.054 -2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.888 -8.040 -0.751 1.00 0.00 H new ATOM 419 N LYS A 29 12.646 -3.297 -0.164 1.00 0.00 N ATOM 420 CA LYS A 29 12.918 -1.970 0.381 1.00 0.00 C ATOM 421 C LYS A 29 12.130 -0.926 -0.395 1.00 0.00 C ATOM 422 O LYS A 29 11.519 -1.225 -1.419 1.00 0.00 O ATOM 423 CB LYS A 29 14.424 -1.665 0.311 1.00 0.00 C ATOM 424 CG LYS A 29 15.244 -2.365 1.401 1.00 0.00 C ATOM 425 CD LYS A 29 15.633 -3.801 1.034 1.00 0.00 C ATOM 426 CE LYS A 29 16.473 -4.431 2.144 1.00 0.00 C ATOM 427 NZ LYS A 29 15.725 -4.514 3.415 1.00 0.00 N ATOM 0 H LYS A 29 12.696 -3.328 -1.182 1.00 0.00 H new ATOM 0 HA LYS A 29 12.609 -1.943 1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.802 -1.966 -0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.572 -0.588 0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.149 -1.788 1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.670 -2.376 2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.735 -4.396 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.194 -3.804 0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.787 -5.430 1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.379 -3.844 2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.215 -5.162 4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.668 -3.569 3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.765 -4.869 3.230 1.00 0.00 H new ATOM 441 N LYS A 30 12.149 0.312 0.097 1.00 0.00 N ATOM 442 CA LYS A 30 11.438 1.440 -0.495 1.00 0.00 C ATOM 443 C LYS A 30 11.933 1.770 -1.905 1.00 0.00 C ATOM 444 O LYS A 30 11.312 2.566 -2.606 1.00 0.00 O ATOM 445 CB LYS A 30 11.583 2.633 0.443 1.00 0.00 C ATOM 446 CG LYS A 30 13.056 2.970 0.696 1.00 0.00 C ATOM 447 CD LYS A 30 13.185 3.578 2.090 1.00 0.00 C ATOM 448 CE LYS A 30 12.432 4.905 2.202 1.00 0.00 C ATOM 449 NZ LYS A 30 12.992 5.923 1.288 1.00 0.00 N ATOM 0 H LYS A 30 12.671 0.562 0.937 1.00 0.00 H new ATOM 0 HA LYS A 30 10.386 1.179 -0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.079 3.499 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.090 2.415 1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.668 2.072 0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.418 3.670 -0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.798 2.877 2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.238 3.737 2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.378 4.748 1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.483 5.268 3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.552 6.845 1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.019 5.992 1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.799 5.649 0.303 1.00 0.00 H new ATOM 463 N SER A 31 13.046 1.159 -2.322 1.00 0.00 N ATOM 464 CA SER A 31 13.602 1.328 -3.658 1.00 0.00 C ATOM 465 C SER A 31 13.087 0.242 -4.598 1.00 0.00 C ATOM 466 O SER A 31 13.206 0.357 -5.816 1.00 0.00 O ATOM 467 CB SER A 31 15.125 1.271 -3.566 1.00 0.00 C ATOM 468 OG SER A 31 15.528 0.075 -2.933 1.00 0.00 O ATOM 0 H SER A 31 13.588 0.528 -1.732 1.00 0.00 H new ATOM 0 HA SER A 31 13.292 2.292 -4.061 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.560 1.328 -4.564 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.496 2.130 -3.007 1.00 0.00 H new ATOM 0 HG SER A 31 16.506 0.046 -2.880 1.00 0.00 H new ATOM 474 N ASP A 32 12.510 -0.815 -4.023 1.00 0.00 N ATOM 475 CA ASP A 32 11.926 -1.926 -4.751 1.00 0.00 C ATOM 476 C ASP A 32 10.415 -1.750 -4.863 1.00 0.00 C ATOM 477 O ASP A 32 9.822 -2.102 -5.882 1.00 0.00 O ATOM 478 CB ASP A 32 12.261 -3.212 -3.997 1.00 0.00 C ATOM 479 CG ASP A 32 13.741 -3.560 -4.097 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.213 -3.780 -5.235 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.395 -3.600 -3.029 1.00 0.00 O ATOM 0 H ASP A 32 12.438 -0.918 -3.011 1.00 0.00 H new ATOM 0 HA ASP A 32 12.331 -1.969 -5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.984 -3.101 -2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.667 -4.033 -4.398 1.00 0.00 H new ATOM 486 N VAL A 33 9.782 -1.202 -3.822 1.00 0.00 N ATOM 487 CA VAL A 33 8.345 -0.967 -3.825 1.00 0.00 C ATOM 488 C VAL A 33 7.990 0.018 -4.933 1.00 0.00 C ATOM 489 O VAL A 33 6.918 -0.081 -5.527 1.00 0.00 O ATOM 490 CB VAL A 33 7.931 -0.439 -2.449 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.466 -0.018 -2.440 1.00 0.00 C ATOM 492 CG2 VAL A 33 8.109 -1.528 -1.394 1.00 0.00 C ATOM 0 H VAL A 33 10.251 -0.913 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 33 7.805 -1.894 -4.019 1.00 0.00 H new ATOM 0 HB VAL A 33 8.562 0.421 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.200 0.353 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.309 0.770 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.840 -0.875 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.812 -1.142 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.488 -2.387 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.155 -1.834 -1.360 1.00 0.00 H new ATOM 502 N GLU A 34 8.882 0.968 -5.224 1.00 0.00 N ATOM 503 CA GLU A 34 8.655 1.953 -6.275 1.00 0.00 C ATOM 504 C GLU A 34 8.962 1.388 -7.663 1.00 0.00 C ATOM 505 O GLU A 34 8.971 2.134 -8.644 1.00 0.00 O ATOM 506 CB GLU A 34 9.433 3.239 -5.989 1.00 0.00 C ATOM 507 CG GLU A 34 10.946 3.009 -6.021 1.00 0.00 C ATOM 508 CD GLU A 34 11.728 4.303 -5.790 1.00 0.00 C ATOM 509 OE1 GLU A 34 11.087 5.356 -5.567 1.00 0.00 O ATOM 510 OE2 GLU A 34 12.976 4.231 -5.837 1.00 0.00 O ATOM 0 H GLU A 34 9.774 1.073 -4.740 1.00 0.00 H new ATOM 0 HA GLU A 34 7.594 2.204 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.165 3.997 -6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.145 3.628 -5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.218 2.280 -5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.227 2.582 -6.984 1.00 0.00 H new ATOM 517 N ALA A 35 9.215 0.079 -7.754 1.00 0.00 N ATOM 518 CA ALA A 35 9.451 -0.600 -9.020 1.00 0.00 C ATOM 519 C ALA A 35 8.520 -1.804 -9.180 1.00 0.00 C ATOM 520 O ALA A 35 8.479 -2.407 -10.251 1.00 0.00 O ATOM 521 CB ALA A 35 10.919 -1.015 -9.091 1.00 0.00 C ATOM 0 H ALA A 35 9.261 -0.538 -6.943 1.00 0.00 H new ATOM 0 HA ALA A 35 9.232 0.079 -9.844 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.108 -1.525 -10.036 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.551 -0.130 -9.024 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.147 -1.687 -8.264 1.00 0.00 H new ATOM 527 N ILE A 36 7.771 -2.153 -8.127 1.00 0.00 N ATOM 528 CA ILE A 36 6.831 -3.268 -8.152 1.00 0.00 C ATOM 529 C ILE A 36 5.394 -2.750 -8.127 1.00 0.00 C ATOM 530 O ILE A 36 4.489 -3.415 -8.628 1.00 0.00 O ATOM 531 CB ILE A 36 7.115 -4.177 -6.951 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.533 -4.751 -7.060 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.090 -5.313 -6.882 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.000 -5.328 -5.723 1.00 0.00 C ATOM 0 H ILE A 36 7.804 -1.665 -7.232 1.00 0.00 H new ATOM 0 HA ILE A 36 6.956 -3.842 -9.070 1.00 0.00 H new ATOM 0 HB ILE A 36 7.036 -3.587 -6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.556 -5.529 -7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.221 -3.969 -7.382 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.308 -5.948 -6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.089 -4.894 -6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.143 -5.907 -7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.008 -5.727 -5.831 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.000 -4.542 -4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.325 -6.126 -5.415 1.00 0.00 H new ATOM 546 N PHE A 37 5.175 -1.567 -7.547 1.00 0.00 N ATOM 547 CA PHE A 37 3.853 -0.968 -7.463 1.00 0.00 C ATOM 548 C PHE A 37 3.699 0.157 -8.486 1.00 0.00 C ATOM 549 O PHE A 37 2.601 0.682 -8.669 1.00 0.00 O ATOM 550 CB PHE A 37 3.623 -0.485 -6.029 1.00 0.00 C ATOM 551 CG PHE A 37 3.415 -1.605 -5.035 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.520 -2.289 -4.505 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.115 -1.964 -4.646 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.324 -3.340 -3.599 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.920 -3.012 -3.734 1.00 0.00 C ATOM 556 CZ PHE A 37 3.024 -3.701 -3.213 1.00 0.00 C ATOM 0 H PHE A 37 5.913 -1.003 -7.125 1.00 0.00 H new ATOM 0 HA PHE A 37 3.091 -1.708 -7.706 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.479 0.113 -5.715 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.752 0.171 -6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.521 -2.006 -4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.265 -1.433 -5.049 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.174 -3.872 -3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.920 -3.288 -3.434 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.874 -4.510 -2.514 1.00 0.00 H new ATOM 566 N SER A 38 4.791 0.532 -9.161 1.00 0.00 N ATOM 567 CA SER A 38 4.767 1.610 -10.144 1.00 0.00 C ATOM 568 C SER A 38 4.083 1.162 -11.437 1.00 0.00 C ATOM 569 O SER A 38 3.748 1.984 -12.287 1.00 0.00 O ATOM 570 CB SER A 38 6.201 2.072 -10.404 1.00 0.00 C ATOM 571 OG SER A 38 6.210 3.204 -11.247 1.00 0.00 O ATOM 0 H SER A 38 5.706 0.099 -9.040 1.00 0.00 H new ATOM 0 HA SER A 38 4.186 2.445 -9.753 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.689 2.311 -9.459 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.772 1.265 -10.863 1.00 0.00 H new ATOM 0 HG SER A 38 5.416 3.190 -11.822 1.00 0.00 H new ATOM 577 N LYS A 39 3.871 -0.151 -11.588 1.00 0.00 N ATOM 578 CA LYS A 39 3.218 -0.718 -12.761 1.00 0.00 C ATOM 579 C LYS A 39 1.696 -0.621 -12.672 1.00 0.00 C ATOM 580 O LYS A 39 1.013 -0.862 -13.664 1.00 0.00 O ATOM 581 CB LYS A 39 3.689 -2.161 -12.926 1.00 0.00 C ATOM 582 CG LYS A 39 3.190 -3.007 -11.756 1.00 0.00 C ATOM 583 CD LYS A 39 3.991 -4.305 -11.657 1.00 0.00 C ATOM 584 CE LYS A 39 3.820 -5.186 -12.895 1.00 0.00 C ATOM 585 NZ LYS A 39 2.422 -5.634 -13.061 1.00 0.00 N ATOM 0 H LYS A 39 4.150 -0.846 -10.896 1.00 0.00 H new ATOM 0 HA LYS A 39 3.498 -0.143 -13.643 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.317 -2.569 -13.866 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.777 -2.195 -12.972 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.281 -2.444 -10.827 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.132 -3.234 -11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.047 -4.069 -11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.675 -4.859 -10.773 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.132 -4.633 -13.781 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.473 -6.055 -12.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.410 -6.583 -13.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.955 -5.664 -12.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.916 -4.970 -13.682 1.00 0.00 H new ATOM 599 N TYR A 40 1.159 -0.268 -11.497 1.00 0.00 N ATOM 600 CA TYR A 40 -0.281 -0.120 -11.307 1.00 0.00 C ATOM 601 C TYR A 40 -0.679 1.347 -11.187 1.00 0.00 C ATOM 602 O TYR A 40 -1.855 1.685 -11.311 1.00 0.00 O ATOM 603 CB TYR A 40 -0.706 -0.907 -10.068 1.00 0.00 C ATOM 604 CG TYR A 40 -0.304 -2.358 -10.139 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.982 -3.239 -10.997 1.00 0.00 C ATOM 606 CD2 TYR A 40 0.762 -2.818 -9.356 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.577 -4.580 -11.084 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.171 -4.155 -9.439 1.00 0.00 C ATOM 609 CZ TYR A 40 0.505 -5.041 -10.306 1.00 0.00 C ATOM 610 OH TYR A 40 0.902 -6.341 -10.395 1.00 0.00 O ATOM 0 H TYR A 40 1.710 -0.079 -10.660 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.796 -0.518 -12.181 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.261 -0.453 -9.183 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.788 -0.838 -9.951 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.813 -2.885 -11.589 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.270 -2.140 -8.686 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.094 -5.259 -11.747 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.997 -4.506 -8.838 1.00 0.00 H new ATOM 0 HH TYR A 40 1.323 -6.613 -9.553 1.00 0.00 H new ATOM 620 N GLY A 41 0.298 2.223 -10.953 1.00 0.00 N ATOM 621 CA GLY A 41 0.053 3.654 -10.929 1.00 0.00 C ATOM 622 C GLY A 41 1.332 4.448 -10.720 1.00 0.00 C ATOM 623 O GLY A 41 2.336 3.908 -10.256 1.00 0.00 O ATOM 0 H GLY A 41 1.268 1.960 -10.778 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.413 3.958 -11.866 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.653 3.888 -10.132 1.00 0.00 H new ATOM 627 N LYS A 42 1.293 5.734 -11.068 1.00 0.00 N ATOM 628 CA LYS A 42 2.423 6.629 -10.887 1.00 0.00 C ATOM 629 C LYS A 42 2.595 6.916 -9.399 1.00 0.00 C ATOM 630 O LYS A 42 1.720 7.516 -8.776 1.00 0.00 O ATOM 631 CB LYS A 42 2.161 7.905 -11.689 1.00 0.00 C ATOM 632 CG LYS A 42 3.169 9.004 -11.348 1.00 0.00 C ATOM 633 CD LYS A 42 2.913 10.223 -12.237 1.00 0.00 C ATOM 634 CE LYS A 42 3.689 11.415 -11.687 1.00 0.00 C ATOM 635 NZ LYS A 42 3.526 12.605 -12.543 1.00 0.00 N ATOM 0 H LYS A 42 0.475 6.179 -11.483 1.00 0.00 H new ATOM 0 HA LYS A 42 3.348 6.180 -11.248 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.212 7.682 -12.755 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.151 8.262 -11.486 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.080 9.281 -10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.185 8.639 -11.496 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.223 10.013 -13.261 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.847 10.450 -12.266 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.344 11.641 -10.678 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.746 11.160 -11.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.066 13.398 -12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.877 12.396 -13.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.519 12.862 -12.593 1.00 0.00 H new ATOM 649 N ILE A 43 3.726 6.485 -8.838 1.00 0.00 N ATOM 650 CA ILE A 43 4.016 6.668 -7.424 1.00 0.00 C ATOM 651 C ILE A 43 4.598 8.058 -7.193 1.00 0.00 C ATOM 652 O ILE A 43 5.540 8.457 -7.872 1.00 0.00 O ATOM 653 CB ILE A 43 4.944 5.543 -6.943 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.205 4.205 -7.081 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.351 5.750 -5.482 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.069 3.009 -6.688 1.00 0.00 C ATOM 0 H ILE A 43 4.462 6.001 -9.353 1.00 0.00 H new ATOM 0 HA ILE A 43 3.101 6.606 -6.834 1.00 0.00 H new ATOM 0 HB ILE A 43 5.849 5.547 -7.551 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.311 4.223 -6.457 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.872 4.084 -8.112 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.008 4.938 -5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.875 6.700 -5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.460 5.759 -4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.494 2.090 -6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.950 2.970 -7.329 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.381 3.111 -5.649 1.00 0.00 H new ATOM 668 N VAL A 44 4.030 8.788 -6.231 1.00 0.00 N ATOM 669 CA VAL A 44 4.487 10.126 -5.873 1.00 0.00 C ATOM 670 C VAL A 44 5.161 10.119 -4.504 1.00 0.00 C ATOM 671 O VAL A 44 5.744 11.120 -4.087 1.00 0.00 O ATOM 672 CB VAL A 44 3.319 11.117 -5.913 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.728 11.185 -7.321 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.217 10.720 -4.927 1.00 0.00 C ATOM 0 H VAL A 44 3.237 8.463 -5.678 1.00 0.00 H new ATOM 0 HA VAL A 44 5.228 10.448 -6.605 1.00 0.00 H new ATOM 0 HB VAL A 44 3.709 12.094 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.899 11.893 -7.334 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.496 11.512 -8.022 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.367 10.199 -7.612 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.403 11.443 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.840 9.730 -5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.622 10.704 -3.915 1.00 0.00 H new ATOM 684 N GLY A 45 5.082 8.989 -3.798 1.00 0.00 N ATOM 685 CA GLY A 45 5.709 8.812 -2.500 1.00 0.00 C ATOM 686 C GLY A 45 5.699 7.339 -2.117 1.00 0.00 C ATOM 687 O GLY A 45 4.784 6.602 -2.483 1.00 0.00 O ATOM 0 H GLY A 45 4.574 8.166 -4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.734 9.183 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.179 9.396 -1.748 1.00 0.00 H new ATOM 691 N CYS A 46 6.718 6.898 -1.381 1.00 0.00 N ATOM 692 CA CYS A 46 6.832 5.518 -0.944 1.00 0.00 C ATOM 693 C CYS A 46 7.588 5.449 0.379 1.00 0.00 C ATOM 694 O CYS A 46 8.436 6.295 0.662 1.00 0.00 O ATOM 695 CB CYS A 46 7.540 4.700 -2.027 1.00 0.00 C ATOM 696 SG CYS A 46 9.279 5.193 -2.152 1.00 0.00 S ATOM 0 H CYS A 46 7.487 7.493 -1.073 1.00 0.00 H new ATOM 0 HA CYS A 46 5.838 5.099 -0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.472 3.638 -1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.043 4.847 -2.986 1.00 0.00 H new ATOM 0 HG CYS A 46 10.016 4.140 -2.346 1.00 0.00 H new ATOM 702 N SER A 47 7.285 4.437 1.191 1.00 0.00 N ATOM 703 CA SER A 47 7.994 4.212 2.437 1.00 0.00 C ATOM 704 C SER A 47 7.871 2.751 2.848 1.00 0.00 C ATOM 705 O SER A 47 6.833 2.122 2.643 1.00 0.00 O ATOM 706 CB SER A 47 7.438 5.131 3.528 1.00 0.00 C ATOM 707 OG SER A 47 6.082 4.827 3.777 1.00 0.00 O ATOM 0 H SER A 47 6.547 3.759 1.001 1.00 0.00 H new ATOM 0 HA SER A 47 9.050 4.443 2.297 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.019 5.014 4.443 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.534 6.172 3.221 1.00 0.00 H new ATOM 0 HG SER A 47 6.002 4.375 4.643 1.00 0.00 H new ATOM 713 N VAL A 48 8.941 2.208 3.430 1.00 0.00 N ATOM 714 CA VAL A 48 8.930 0.862 3.988 1.00 0.00 C ATOM 715 C VAL A 48 9.264 0.935 5.473 1.00 0.00 C ATOM 716 O VAL A 48 10.049 1.778 5.909 1.00 0.00 O ATOM 717 CB VAL A 48 9.893 -0.049 3.222 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.945 -1.448 3.835 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.418 -0.181 1.778 1.00 0.00 C ATOM 0 H VAL A 48 9.835 2.690 3.526 1.00 0.00 H new ATOM 0 HA VAL A 48 7.937 0.425 3.882 1.00 0.00 H new ATOM 0 HB VAL A 48 10.886 0.397 3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.638 -2.069 3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.283 -1.380 4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.951 -1.895 3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.101 -0.829 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.417 -0.612 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.397 0.803 1.311 1.00 0.00 H new ATOM 729 N HIS A 49 8.656 0.037 6.244 1.00 0.00 N ATOM 730 CA HIS A 49 8.771 -0.015 7.689 1.00 0.00 C ATOM 731 C HIS A 49 8.990 -1.463 8.097 1.00 0.00 C ATOM 732 O HIS A 49 9.247 -2.311 7.243 1.00 0.00 O ATOM 733 CB HIS A 49 7.487 0.550 8.300 1.00 0.00 C ATOM 734 CG HIS A 49 7.119 1.909 7.756 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.380 3.130 8.380 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.476 2.137 6.575 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.889 4.065 7.550 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.346 3.501 6.456 1.00 0.00 N ATOM 0 H HIS A 49 8.054 -0.693 5.864 1.00 0.00 H new ATOM 0 HA HIS A 49 9.612 0.579 8.046 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.667 -0.144 8.113 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.606 0.618 9.381 1.00 0.00 H new ATOM 0 HD1 HIS A 49 7.845 3.280 9.276 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.136 1.392 5.871 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.925 5.128 7.736 1.00 0.00 H new ATOM 746 N LYS A 50 8.900 -1.774 9.392 1.00 0.00 N ATOM 747 CA LYS A 50 9.048 -3.148 9.836 1.00 0.00 C ATOM 748 C LYS A 50 7.713 -3.878 9.725 1.00 0.00 C ATOM 749 O LYS A 50 6.745 -3.519 10.389 1.00 0.00 O ATOM 750 CB LYS A 50 9.594 -3.184 11.266 1.00 0.00 C ATOM 751 CG LYS A 50 11.002 -2.580 11.314 1.00 0.00 C ATOM 752 CD LYS A 50 11.621 -2.739 12.704 1.00 0.00 C ATOM 753 CE LYS A 50 10.816 -2.005 13.780 1.00 0.00 C ATOM 754 NZ LYS A 50 10.835 -0.541 13.574 1.00 0.00 N ATOM 0 H LYS A 50 8.728 -1.099 10.137 1.00 0.00 H new ATOM 0 HA LYS A 50 9.764 -3.661 9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.930 -2.630 11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.620 -4.212 11.627 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.636 -3.067 10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.957 -1.523 11.051 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.680 -3.798 12.955 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.642 -2.357 12.692 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.786 -2.361 13.770 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.224 -2.239 14.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.413 -0.069 14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.817 -0.220 13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.289 -0.303 12.722 1.00 0.00 H new ATOM 768 N GLY A 51 7.674 -4.907 8.880 1.00 0.00 N ATOM 769 CA GLY A 51 6.494 -5.740 8.687 1.00 0.00 C ATOM 770 C GLY A 51 5.440 -5.117 7.767 1.00 0.00 C ATOM 771 O GLY A 51 4.485 -5.798 7.403 1.00 0.00 O ATOM 0 H GLY A 51 8.469 -5.186 8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.802 -6.700 8.273 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.041 -5.942 9.658 1.00 0.00 H new ATOM 775 N PHE A 52 5.590 -3.846 7.382 1.00 0.00 N ATOM 776 CA PHE A 52 4.644 -3.194 6.485 1.00 0.00 C ATOM 777 C PHE A 52 5.325 -2.115 5.643 1.00 0.00 C ATOM 778 O PHE A 52 6.466 -1.734 5.903 1.00 0.00 O ATOM 779 CB PHE A 52 3.484 -2.581 7.273 1.00 0.00 C ATOM 780 CG PHE A 52 3.880 -1.472 8.218 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.296 -1.780 9.522 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.828 -0.137 7.796 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.665 -0.751 10.399 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.195 0.891 8.673 1.00 0.00 C ATOM 785 CZ PHE A 52 4.618 0.582 9.974 1.00 0.00 C ATOM 0 H PHE A 52 6.362 -3.250 7.681 1.00 0.00 H new ATOM 0 HA PHE A 52 4.254 -3.958 5.813 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.748 -2.194 6.568 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.994 -3.369 7.844 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.332 -2.809 9.849 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.504 0.099 6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.986 -0.986 11.403 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.152 1.920 8.348 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.908 1.374 10.649 1.00 0.00 H new ATOM 795 N ALA A 53 4.610 -1.622 4.628 1.00 0.00 N ATOM 796 CA ALA A 53 5.051 -0.536 3.765 1.00 0.00 C ATOM 797 C ALA A 53 3.855 0.292 3.302 1.00 0.00 C ATOM 798 O ALA A 53 2.705 -0.084 3.533 1.00 0.00 O ATOM 799 CB ALA A 53 5.806 -1.118 2.572 1.00 0.00 C ATOM 0 H ALA A 53 3.687 -1.979 4.382 1.00 0.00 H new ATOM 0 HA ALA A 53 5.719 0.124 4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.139 -0.309 1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.671 -1.678 2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.147 -1.784 2.014 1.00 0.00 H new ATOM 805 N PHE A 54 4.131 1.420 2.643 1.00 0.00 N ATOM 806 CA PHE A 54 3.112 2.316 2.120 1.00 0.00 C ATOM 807 C PHE A 54 3.519 2.847 0.750 1.00 0.00 C ATOM 808 O PHE A 54 4.703 3.050 0.479 1.00 0.00 O ATOM 809 CB PHE A 54 2.893 3.473 3.099 1.00 0.00 C ATOM 810 CG PHE A 54 1.875 3.188 4.180 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.514 3.205 3.855 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.281 2.914 5.493 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.446 2.964 4.844 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.321 2.663 6.482 1.00 0.00 C ATOM 815 CZ PHE A 54 -0.041 2.692 6.156 1.00 0.00 C ATOM 0 H PHE A 54 5.083 1.736 2.458 1.00 0.00 H new ATOM 0 HA PHE A 54 2.179 1.764 2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.845 3.721 3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.575 4.352 2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.204 3.404 2.840 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.332 2.896 5.742 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.497 2.988 4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.631 2.448 7.494 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.781 2.504 6.920 1.00 0.00 H new ATOM 825 N VAL A 55 2.523 3.069 -0.115 1.00 0.00 N ATOM 826 CA VAL A 55 2.722 3.608 -1.453 1.00 0.00 C ATOM 827 C VAL A 55 1.683 4.682 -1.717 1.00 0.00 C ATOM 828 O VAL A 55 0.517 4.513 -1.373 1.00 0.00 O ATOM 829 CB VAL A 55 2.623 2.503 -2.506 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.743 3.076 -3.916 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.764 1.512 -2.308 1.00 0.00 C ATOM 0 H VAL A 55 1.546 2.875 0.103 1.00 0.00 H new ATOM 0 HA VAL A 55 3.720 4.041 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 55 1.654 2.017 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.669 2.268 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.940 3.793 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.705 3.576 -4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.695 0.724 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.718 2.030 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.696 1.073 -1.313 1.00 0.00 H new ATOM 841 N GLN A 56 2.104 5.788 -2.331 1.00 0.00 N ATOM 842 CA GLN A 56 1.248 6.926 -2.579 1.00 0.00 C ATOM 843 C GLN A 56 1.131 7.151 -4.083 1.00 0.00 C ATOM 844 O GLN A 56 2.148 7.205 -4.775 1.00 0.00 O ATOM 845 CB GLN A 56 1.864 8.135 -1.864 1.00 0.00 C ATOM 846 CG GLN A 56 0.970 9.375 -1.895 1.00 0.00 C ATOM 847 CD GLN A 56 -0.226 9.220 -0.973 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.079 9.108 0.242 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.424 9.212 -1.542 1.00 0.00 N ATOM 0 H GLN A 56 3.058 5.911 -2.669 1.00 0.00 H new ATOM 0 HA GLN A 56 0.240 6.763 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.069 7.869 -0.827 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.821 8.374 -2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.549 10.250 -1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.625 9.551 -2.914 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.509 9.307 -2.554 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.261 9.111 -0.968 1.00 0.00 H new ATOM 858 N TYR A 57 -0.095 7.284 -4.587 1.00 0.00 N ATOM 859 CA TYR A 57 -0.364 7.488 -6.002 1.00 0.00 C ATOM 860 C TYR A 57 -0.926 8.882 -6.255 1.00 0.00 C ATOM 861 O TYR A 57 -1.155 9.651 -5.321 1.00 0.00 O ATOM 862 CB TYR A 57 -1.355 6.437 -6.500 1.00 0.00 C ATOM 863 CG TYR A 57 -0.824 5.026 -6.468 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.344 4.712 -7.174 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.498 4.030 -5.742 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.860 3.411 -7.144 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.980 2.730 -5.702 1.00 0.00 C ATOM 868 CZ TYR A 57 0.203 2.418 -6.396 1.00 0.00 C ATOM 869 OH TYR A 57 0.705 1.157 -6.344 1.00 0.00 O ATOM 0 H TYR A 57 -0.938 7.252 -4.013 1.00 0.00 H new ATOM 0 HA TYR A 57 0.576 7.390 -6.545 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.258 6.488 -5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.645 6.682 -7.522 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.849 5.477 -7.744 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.412 4.266 -5.217 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.759 3.171 -7.693 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.490 1.964 -5.137 1.00 0.00 H new ATOM 0 HH TYR A 57 1.207 0.971 -7.165 1.00 0.00 H new ATOM 879 N VAL A 58 -1.150 9.205 -7.532 1.00 0.00 N ATOM 880 CA VAL A 58 -1.708 10.488 -7.932 1.00 0.00 C ATOM 881 C VAL A 58 -3.189 10.554 -7.580 1.00 0.00 C ATOM 882 O VAL A 58 -3.702 11.636 -7.300 1.00 0.00 O ATOM 883 CB VAL A 58 -1.477 10.684 -9.434 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.188 11.933 -9.951 1.00 0.00 C ATOM 885 CG2 VAL A 58 0.018 10.827 -9.714 1.00 0.00 C ATOM 0 H VAL A 58 -0.948 8.581 -8.313 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.211 11.295 -7.393 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.881 9.810 -9.945 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.003 12.041 -11.020 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.260 11.840 -9.776 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.810 12.810 -9.427 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.176 10.966 -10.783 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.408 11.690 -9.174 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.538 9.927 -9.384 1.00 0.00 H new ATOM 895 N ASN A 59 -3.892 9.415 -7.590 1.00 0.00 N ATOM 896 CA ASN A 59 -5.302 9.391 -7.227 1.00 0.00 C ATOM 897 C ASN A 59 -5.753 8.010 -6.749 1.00 0.00 C ATOM 898 O ASN A 59 -5.014 7.033 -6.864 1.00 0.00 O ATOM 899 CB ASN A 59 -6.155 9.878 -8.402 1.00 0.00 C ATOM 900 CG ASN A 59 -6.571 8.776 -9.357 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.760 8.518 -9.506 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.614 8.122 -10.005 1.00 0.00 N ATOM 0 H ASN A 59 -3.505 8.506 -7.845 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.441 10.070 -6.386 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.049 10.364 -8.012 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.597 10.633 -8.955 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.857 7.374 -10.655 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.636 8.367 -9.853 1.00 0.00 H new ATOM 909 N GLU A 60 -6.975 7.938 -6.215 1.00 0.00 N ATOM 910 CA GLU A 60 -7.544 6.714 -5.666 1.00 0.00 C ATOM 911 C GLU A 60 -7.656 5.610 -6.714 1.00 0.00 C ATOM 912 O GLU A 60 -7.557 4.437 -6.366 1.00 0.00 O ATOM 913 CB GLU A 60 -8.918 7.055 -5.086 1.00 0.00 C ATOM 914 CG GLU A 60 -9.601 5.820 -4.494 1.00 0.00 C ATOM 915 CD GLU A 60 -10.962 6.153 -3.887 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.219 7.351 -3.632 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.740 5.195 -3.681 1.00 0.00 O ATOM 0 H GLU A 60 -7.601 8.741 -6.153 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.884 6.328 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.809 7.817 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.548 7.481 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.726 5.067 -5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.960 5.384 -3.728 1.00 0.00 H new ATOM 924 N ARG A 61 -7.856 5.947 -7.994 1.00 0.00 N ATOM 925 CA ARG A 61 -7.957 4.929 -9.035 1.00 0.00 C ATOM 926 C ARG A 61 -6.688 4.088 -9.061 1.00 0.00 C ATOM 927 O ARG A 61 -6.751 2.873 -9.239 1.00 0.00 O ATOM 928 CB ARG A 61 -8.186 5.617 -10.386 1.00 0.00 C ATOM 929 CG ARG A 61 -8.012 4.683 -11.587 1.00 0.00 C ATOM 930 CD ARG A 61 -8.872 3.434 -11.461 1.00 0.00 C ATOM 931 NE ARG A 61 -8.788 2.609 -12.670 1.00 0.00 N ATOM 932 CZ ARG A 61 -8.995 1.288 -12.690 1.00 0.00 C ATOM 933 NH1 ARG A 61 -9.299 0.625 -11.578 1.00 0.00 N ATOM 934 NH2 ARG A 61 -8.897 0.622 -13.835 1.00 0.00 N ATOM 0 H ARG A 61 -7.950 6.907 -8.327 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.798 4.266 -8.829 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.192 6.036 -10.405 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.491 6.451 -10.482 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.275 5.214 -12.502 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.964 4.396 -11.675 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.549 2.852 -10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.909 3.719 -11.284 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.558 3.071 -13.550 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.377 1.124 -10.692 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.454 -0.383 -11.611 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.664 1.118 -14.695 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.054 -0.386 -13.854 1.00 0.00 H new ATOM 948 N ASN A 62 -5.532 4.725 -8.881 1.00 0.00 N ATOM 949 CA ASN A 62 -4.276 4.000 -8.900 1.00 0.00 C ATOM 950 C ASN A 62 -4.122 3.133 -7.652 1.00 0.00 C ATOM 951 O ASN A 62 -3.408 2.133 -7.684 1.00 0.00 O ATOM 952 CB ASN A 62 -3.143 5.015 -9.014 1.00 0.00 C ATOM 953 CG ASN A 62 -3.054 5.584 -10.421 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.116 6.795 -10.614 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.908 4.709 -11.413 1.00 0.00 N ATOM 0 H ASN A 62 -5.445 5.729 -8.723 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.251 3.324 -9.755 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.303 5.824 -8.301 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.198 4.540 -8.750 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.843 5.037 -12.377 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.861 3.711 -11.210 1.00 0.00 H new ATOM 962 N ALA A 63 -4.792 3.506 -6.557 1.00 0.00 N ATOM 963 CA ALA A 63 -4.748 2.725 -5.332 1.00 0.00 C ATOM 964 C ALA A 63 -5.599 1.469 -5.470 1.00 0.00 C ATOM 965 O ALA A 63 -5.219 0.410 -4.981 1.00 0.00 O ATOM 966 CB ALA A 63 -5.234 3.581 -4.163 1.00 0.00 C ATOM 0 H ALA A 63 -5.369 4.345 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.720 2.416 -5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.201 2.995 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.590 4.455 -4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.258 3.905 -4.350 1.00 0.00 H new ATOM 972 N ARG A 64 -6.751 1.576 -6.138 1.00 0.00 N ATOM 973 CA ARG A 64 -7.629 0.430 -6.337 1.00 0.00 C ATOM 974 C ARG A 64 -6.987 -0.578 -7.287 1.00 0.00 C ATOM 975 O ARG A 64 -7.289 -1.766 -7.212 1.00 0.00 O ATOM 976 CB ARG A 64 -8.972 0.894 -6.915 1.00 0.00 C ATOM 977 CG ARG A 64 -9.716 1.885 -6.019 1.00 0.00 C ATOM 978 CD ARG A 64 -10.092 1.283 -4.666 1.00 0.00 C ATOM 979 NE ARG A 64 -10.846 2.261 -3.876 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.393 2.017 -2.684 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.299 0.822 -2.108 1.00 0.00 N ATOM 982 NH2 ARG A 64 -12.049 2.987 -2.059 1.00 0.00 N ATOM 0 H ARG A 64 -7.093 2.445 -6.548 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.794 -0.049 -5.372 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.799 1.355 -7.887 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.606 0.023 -7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.093 2.765 -5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.620 2.221 -6.527 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.689 0.383 -4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.192 0.985 -4.128 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.961 3.196 -4.266 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.800 0.067 -2.578 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.726 0.661 -1.196 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.131 3.908 -2.491 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.471 2.812 -1.147 1.00 0.00 H new ATOM 996 N ALA A 65 -6.106 -0.111 -8.174 1.00 0.00 N ATOM 997 CA ALA A 65 -5.453 -0.977 -9.139 1.00 0.00 C ATOM 998 C ALA A 65 -4.298 -1.742 -8.492 1.00 0.00 C ATOM 999 O ALA A 65 -4.024 -2.880 -8.873 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.966 -0.115 -10.300 1.00 0.00 C ATOM 0 H ALA A 65 -5.832 0.869 -8.238 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.158 -1.723 -9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.471 -0.745 -11.039 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.816 0.387 -10.762 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.262 0.630 -9.930 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.620 -1.135 -7.517 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.518 -1.792 -6.834 1.00 0.00 C ATOM 1008 C ALA A 66 -3.018 -2.697 -5.710 1.00 0.00 C ATOM 1009 O ALA A 66 -2.425 -3.743 -5.453 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.587 -0.716 -6.302 1.00 0.00 C ATOM 0 H ALA A 66 -3.818 -0.191 -7.187 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.982 -2.435 -7.532 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.750 -1.183 -5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.212 -0.117 -7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.131 -0.075 -5.608 1.00 0.00 H new ATOM 1016 N VAL A 67 -4.106 -2.312 -5.039 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.725 -3.146 -4.018 1.00 0.00 C ATOM 1018 C VAL A 67 -5.294 -4.413 -4.654 1.00 0.00 C ATOM 1019 O VAL A 67 -5.307 -5.467 -4.024 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.835 -2.354 -3.319 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.708 -3.246 -2.438 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.220 -1.276 -2.429 1.00 0.00 C ATOM 0 H VAL A 67 -4.576 -1.420 -5.190 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.976 -3.436 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.453 -1.915 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.481 -2.643 -1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.175 -4.017 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.091 -3.716 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.014 -0.716 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.584 -1.744 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.623 -0.598 -3.039 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.763 -4.325 -5.901 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.291 -5.489 -6.603 1.00 0.00 C ATOM 1034 C ALA A 68 -5.224 -6.179 -7.454 1.00 0.00 C ATOM 1035 O ALA A 68 -5.460 -7.277 -7.954 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.483 -5.052 -7.453 1.00 0.00 C ATOM 0 H ALA A 68 -5.786 -3.460 -6.441 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.616 -6.226 -5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.887 -5.914 -7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.253 -4.628 -6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.160 -4.301 -8.174 1.00 0.00 H new ATOM 1042 N GLY A 69 -4.056 -5.550 -7.624 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.990 -6.094 -8.455 1.00 0.00 C ATOM 1044 C GLY A 69 -1.863 -6.755 -7.662 1.00 0.00 C ATOM 1045 O GLY A 69 -1.051 -7.470 -8.248 1.00 0.00 O ATOM 0 H GLY A 69 -3.829 -4.655 -7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.415 -6.826 -9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.571 -5.292 -9.063 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.792 -6.532 -6.345 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.677 -7.019 -5.529 1.00 0.00 C ATOM 1051 C GLU A 70 -1.150 -7.709 -4.250 1.00 0.00 C ATOM 1052 O GLU A 70 -0.388 -8.466 -3.651 1.00 0.00 O ATOM 1053 CB GLU A 70 0.221 -5.834 -5.170 1.00 0.00 C ATOM 1054 CG GLU A 70 1.011 -5.340 -6.381 1.00 0.00 C ATOM 1055 CD GLU A 70 2.142 -6.304 -6.738 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.068 -6.432 -5.910 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.081 -6.907 -7.832 1.00 0.00 O ATOM 0 H GLU A 70 -2.498 -6.015 -5.821 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.130 -7.761 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.389 -5.021 -4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.912 -6.127 -4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.342 -5.230 -7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.424 -4.354 -6.170 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.386 -7.474 -3.804 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.876 -8.146 -2.611 1.00 0.00 C ATOM 1066 C ASP A 71 -2.891 -9.657 -2.832 1.00 0.00 C ATOM 1067 O ASP A 71 -3.593 -10.150 -3.716 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.273 -7.635 -2.267 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.845 -8.357 -1.052 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -4.105 -8.460 -0.051 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -6.013 -8.798 -1.133 1.00 0.00 O ATOM 0 H ASP A 71 -3.050 -6.836 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.212 -7.928 -1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.232 -6.564 -2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.935 -7.777 -3.121 1.00 0.00 H new ATOM 1076 N GLY A 72 -2.117 -10.394 -2.030 1.00 0.00 N ATOM 1077 CA GLY A 72 -2.062 -11.840 -2.132 1.00 0.00 C ATOM 1078 C GLY A 72 -1.020 -12.276 -3.152 1.00 0.00 C ATOM 1079 O GLY A 72 -0.960 -13.449 -3.513 1.00 0.00 O ATOM 0 H GLY A 72 -1.520 -10.002 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.824 -12.268 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.040 -12.225 -2.419 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.195 -11.335 -3.619 1.00 0.00 N ATOM 1084 CA ARG A 73 0.949 -11.652 -4.453 1.00 0.00 C ATOM 1085 C ARG A 73 2.008 -12.231 -3.528 1.00 0.00 C ATOM 1086 O ARG A 73 1.856 -12.163 -2.308 1.00 0.00 O ATOM 1087 CB ARG A 73 1.427 -10.410 -5.205 1.00 0.00 C ATOM 1088 CG ARG A 73 2.206 -9.457 -4.292 1.00 0.00 C ATOM 1089 CD ARG A 73 3.702 -9.553 -4.583 1.00 0.00 C ATOM 1090 NE ARG A 73 3.987 -9.006 -5.913 1.00 0.00 N ATOM 1091 CZ ARG A 73 4.838 -9.500 -6.812 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.557 -10.592 -6.569 1.00 0.00 N ATOM 1093 NH2 ARG A 73 4.971 -8.884 -7.983 1.00 0.00 N ATOM 0 H ARG A 73 -0.307 -10.340 -3.426 1.00 0.00 H new ATOM 0 HA ARG A 73 0.702 -12.379 -5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.059 -10.712 -6.040 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.568 -9.888 -5.628 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.863 -8.434 -4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.015 -9.704 -3.248 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.264 -9.005 -3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.026 -10.593 -4.531 1.00 0.00 H new ATOM 0 HE ARG A 73 3.482 -8.160 -6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.465 -11.075 -5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.200 -10.947 -7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.426 -8.045 -8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.618 -9.250 -8.681 1.00 0.00 H new ATOM 1107 N MET A 74 3.078 -12.795 -4.074 1.00 0.00 N ATOM 1108 CA MET A 74 4.093 -13.418 -3.249 1.00 0.00 C ATOM 1109 C MET A 74 5.397 -12.655 -3.399 1.00 0.00 C ATOM 1110 O MET A 74 5.923 -12.524 -4.504 1.00 0.00 O ATOM 1111 CB MET A 74 4.217 -14.889 -3.633 1.00 0.00 C ATOM 1112 CG MET A 74 5.112 -15.617 -2.630 1.00 0.00 C ATOM 1113 SD MET A 74 4.867 -17.410 -2.612 1.00 0.00 S ATOM 1114 CE MET A 74 3.223 -17.447 -1.847 1.00 0.00 C ATOM 0 H MET A 74 3.261 -12.832 -5.077 1.00 0.00 H new ATOM 0 HA MET A 74 3.818 -13.382 -2.195 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.230 -15.352 -3.656 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.634 -14.978 -4.636 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.155 -15.403 -2.864 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.922 -15.222 -1.632 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.981 -18.468 -1.553 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.217 -16.805 -0.966 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.481 -17.090 -2.561 1.00 0.00 H new ATOM 1124 N ILE A 75 5.910 -12.149 -2.277 1.00 0.00 N ATOM 1125 CA ILE A 75 7.155 -11.402 -2.265 1.00 0.00 C ATOM 1126 C ILE A 75 8.086 -11.982 -1.212 1.00 0.00 C ATOM 1127 O ILE A 75 7.669 -12.277 -0.094 1.00 0.00 O ATOM 1128 CB ILE A 75 6.842 -9.912 -2.066 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.102 -9.209 -3.406 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.659 -9.291 -0.932 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.748 -7.722 -3.386 1.00 0.00 C ATOM 0 H ILE A 75 5.473 -12.248 -1.360 1.00 0.00 H new ATOM 0 HA ILE A 75 7.680 -11.489 -3.216 1.00 0.00 H new ATOM 0 HB ILE A 75 5.801 -9.790 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.154 -9.322 -3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.523 -9.703 -4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.400 -8.237 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.438 -9.809 0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.722 -9.384 -1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.955 -7.285 -4.363 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.690 -7.603 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.346 -7.216 -2.628 1.00 0.00 H new ATOM 1143 N ALA A 76 9.360 -12.146 -1.579 1.00 0.00 N ATOM 1144 CA ALA A 76 10.354 -12.795 -0.738 1.00 0.00 C ATOM 1145 C ALA A 76 9.915 -14.198 -0.298 1.00 0.00 C ATOM 1146 O ALA A 76 10.457 -14.747 0.658 1.00 0.00 O ATOM 1147 CB ALA A 76 10.697 -11.896 0.445 1.00 0.00 C ATOM 0 H ALA A 76 9.727 -11.828 -2.476 1.00 0.00 H new ATOM 0 HA ALA A 76 11.259 -12.943 -1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.442 -12.387 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.097 -10.950 0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.798 -11.707 1.031 1.00 0.00 H new ATOM 1153 N GLY A 77 8.931 -14.778 -0.993 1.00 0.00 N ATOM 1154 CA GLY A 77 8.406 -16.094 -0.676 1.00 0.00 C ATOM 1155 C GLY A 77 7.257 -16.025 0.329 1.00 0.00 C ATOM 1156 O GLY A 77 6.767 -17.065 0.764 1.00 0.00 O ATOM 0 H GLY A 77 8.479 -14.338 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.060 -16.576 -1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.205 -16.715 -0.271 1.00 0.00 H new ATOM 1160 N GLN A 78 6.822 -14.815 0.697 1.00 0.00 N ATOM 1161 CA GLN A 78 5.746 -14.618 1.653 1.00 0.00 C ATOM 1162 C GLN A 78 4.649 -13.741 1.043 1.00 0.00 C ATOM 1163 O GLN A 78 4.929 -12.688 0.472 1.00 0.00 O ATOM 1164 CB GLN A 78 6.375 -14.033 2.921 1.00 0.00 C ATOM 1165 CG GLN A 78 5.342 -13.578 3.954 1.00 0.00 C ATOM 1166 CD GLN A 78 5.511 -12.087 4.206 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.779 -11.658 5.326 1.00 0.00 O ATOM 1168 NE2 GLN A 78 5.358 -11.290 3.155 1.00 0.00 N ATOM 0 H GLN A 78 7.213 -13.946 0.334 1.00 0.00 H new ATOM 0 HA GLN A 78 5.250 -15.553 1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.026 -14.781 3.374 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.004 -13.185 2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.334 -13.786 3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.470 -14.133 4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.136 -11.687 2.242 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.463 -10.281 3.261 1.00 0.00 H new ATOM 1177 N VAL A 79 3.395 -14.183 1.169 1.00 0.00 N ATOM 1178 CA VAL A 79 2.220 -13.498 0.633 1.00 0.00 C ATOM 1179 C VAL A 79 2.059 -12.130 1.293 1.00 0.00 C ATOM 1180 O VAL A 79 2.301 -11.992 2.491 1.00 0.00 O ATOM 1181 CB VAL A 79 0.982 -14.362 0.893 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.270 -13.722 0.300 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.137 -15.737 0.253 1.00 0.00 C ATOM 0 H VAL A 79 3.165 -15.048 1.659 1.00 0.00 H new ATOM 0 HA VAL A 79 2.342 -13.346 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 79 0.883 -14.452 1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.133 -14.357 0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.427 -12.743 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.145 -13.608 -0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.246 -16.333 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.267 -15.625 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.009 -16.238 0.673 1.00 0.00 H new ATOM 1193 N LEU A 80 1.648 -11.131 0.510 1.00 0.00 N ATOM 1194 CA LEU A 80 1.387 -9.797 1.037 1.00 0.00 C ATOM 1195 C LEU A 80 -0.095 -9.603 1.325 1.00 0.00 C ATOM 1196 O LEU A 80 -0.946 -10.268 0.734 1.00 0.00 O ATOM 1197 CB LEU A 80 1.876 -8.720 0.067 1.00 0.00 C ATOM 1198 CG LEU A 80 3.348 -8.880 -0.313 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.771 -7.644 -1.101 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.234 -8.991 0.923 1.00 0.00 C ATOM 0 H LEU A 80 1.489 -11.224 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 80 1.938 -9.700 1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.268 -8.750 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.728 -7.739 0.518 1.00 0.00 H new ATOM 0 HG LEU A 80 3.461 -9.791 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.820 -7.734 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.159 -7.558 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.637 -6.756 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.274 -9.104 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.130 -8.090 1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.933 -9.859 1.510 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.397 -8.678 2.241 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.759 -8.312 2.586 1.00 0.00 C ATOM 1214 C ASP A 81 -1.907 -6.807 2.365 1.00 0.00 C ATOM 1215 O ASP A 81 -1.507 -5.999 3.204 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.067 -8.729 4.023 1.00 0.00 C ATOM 1217 CG ASP A 81 -2.269 -10.240 4.128 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -1.253 -10.953 4.272 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -3.443 -10.668 4.061 1.00 0.00 O ATOM 0 H ASP A 81 0.310 -8.162 2.765 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.481 -8.831 1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.250 -8.422 4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.963 -8.215 4.370 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.484 -6.436 1.220 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.521 -5.060 0.753 1.00 0.00 C ATOM 1226 C ILE A 82 -3.957 -4.548 0.755 1.00 0.00 C ATOM 1227 O ILE A 82 -4.884 -5.287 0.423 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.855 -5.007 -0.622 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.371 -5.340 -0.430 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -2.002 -3.632 -1.277 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.273 -5.789 -1.730 1.00 0.00 C ATOM 0 H ILE A 82 -2.942 -7.094 0.589 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.967 -4.397 1.417 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.339 -5.725 -1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.153 -4.464 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.267 -6.126 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.514 -3.639 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.060 -3.400 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.537 -2.876 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.325 -6.016 -1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.235 -6.680 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.192 -4.993 -2.470 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.143 -3.282 1.130 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.466 -2.692 1.276 1.00 0.00 C ATOM 1245 C ASN A 83 -5.419 -1.175 1.093 1.00 0.00 C ATOM 1246 O ASN A 83 -4.373 -0.552 1.271 1.00 0.00 O ATOM 1247 CB ASN A 83 -5.984 -3.036 2.677 1.00 0.00 C ATOM 1248 CG ASN A 83 -7.409 -2.548 2.891 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -8.284 -2.767 2.059 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -7.651 -1.878 4.012 1.00 0.00 N ATOM 0 H ASN A 83 -3.379 -2.640 1.340 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.130 -3.092 0.510 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.944 -4.115 2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.331 -2.588 3.426 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.589 -1.527 4.204 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.899 -1.715 4.681 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.563 -0.578 0.738 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.724 0.864 0.678 1.00 0.00 C ATOM 1259 C LEU A 84 -6.475 1.435 2.078 1.00 0.00 C ATOM 1260 O LEU A 84 -7.082 0.976 3.045 1.00 0.00 O ATOM 1261 CB LEU A 84 -8.146 1.122 0.169 1.00 0.00 C ATOM 1262 CG LEU A 84 -8.416 2.501 -0.430 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -8.270 3.626 0.588 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -7.497 2.764 -1.621 1.00 0.00 C ATOM 0 H LEU A 84 -7.405 -1.094 0.484 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.018 1.352 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.380 0.371 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.838 0.968 0.997 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.454 2.492 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.473 4.582 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.977 3.473 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.255 3.629 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.707 3.752 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.458 2.720 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.669 2.008 -2.387 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.589 2.427 2.190 1.00 0.00 N ATOM 1277 CA ALA A 85 -5.144 2.959 3.474 1.00 0.00 C ATOM 1278 C ALA A 85 -6.241 3.630 4.305 1.00 0.00 C ATOM 1279 O ALA A 85 -5.958 4.108 5.403 1.00 0.00 O ATOM 1280 CB ALA A 85 -4.006 3.951 3.226 1.00 0.00 C ATOM 0 H ALA A 85 -5.159 2.885 1.386 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.815 2.104 4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.663 4.357 4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.180 3.441 2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.363 4.763 2.593 1.00 0.00 H new ATOM 1463 N LYS A 98 -6.314 -16.450 10.848 1.00 0.00 N ATOM 1464 CA LYS A 98 -7.312 -15.594 11.481 1.00 0.00 C ATOM 1465 C LYS A 98 -8.202 -16.384 12.441 1.00 0.00 C ATOM 1466 O LYS A 98 -9.264 -15.909 12.836 1.00 0.00 O ATOM 1467 CB LYS A 98 -8.142 -14.882 10.401 1.00 0.00 C ATOM 1468 CG LYS A 98 -7.275 -14.091 9.415 1.00 0.00 C ATOM 1469 CD LYS A 98 -6.554 -12.927 10.099 1.00 0.00 C ATOM 1470 CE LYS A 98 -5.606 -12.231 9.119 1.00 0.00 C ATOM 1471 NZ LYS A 98 -6.330 -11.653 7.971 1.00 0.00 N ATOM 0 HA LYS A 98 -6.797 -14.842 12.079 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.727 -15.620 9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.850 -14.206 10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.541 -14.757 8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.900 -13.708 8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.284 -12.212 10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.993 -13.294 10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.061 -11.443 9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.866 -12.946 8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.685 -11.050 7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.688 -12.419 7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.128 -11.082 8.316 1.00 0.00 H new ATOM 1485 N ARG A 99 -7.762 -17.589 12.811 1.00 0.00 N ATOM 1486 CA ARG A 99 -8.482 -18.485 13.704 1.00 0.00 C ATOM 1487 C ARG A 99 -7.833 -18.461 15.086 1.00 0.00 C ATOM 1488 O ARG A 99 -6.765 -17.872 15.259 1.00 0.00 O ATOM 1489 CB ARG A 99 -8.484 -19.883 13.082 1.00 0.00 C ATOM 1490 CG ARG A 99 -9.622 -20.743 13.625 1.00 0.00 C ATOM 1491 CD ARG A 99 -9.760 -21.968 12.729 1.00 0.00 C ATOM 1492 NE ARG A 99 -10.841 -22.841 13.189 1.00 0.00 N ATOM 1493 CZ ARG A 99 -11.164 -24.008 12.629 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -10.519 -24.457 11.554 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -12.146 -24.735 13.152 1.00 0.00 N ATOM 0 H ARG A 99 -6.874 -17.973 12.488 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.516 -18.167 13.833 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.577 -19.799 11.999 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.531 -20.372 13.283 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.415 -21.044 14.652 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.553 -20.176 13.641 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.955 -21.652 11.704 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.821 -22.522 12.719 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.386 -22.535 13.995 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.764 -23.906 11.145 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.780 -25.352 11.139 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.646 -24.399 13.975 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.399 -25.628 12.730 1.00 0.00 H new ATOM 1509 N SER A 100 -8.468 -19.097 16.072 1.00 0.00 N ATOM 1510 CA SER A 100 -7.917 -19.202 17.417 1.00 0.00 C ATOM 1511 C SER A 100 -6.612 -19.997 17.430 1.00 0.00 C ATOM 1512 O SER A 100 -5.871 -19.934 18.407 1.00 0.00 O ATOM 1513 CB SER A 100 -8.943 -19.892 18.311 1.00 0.00 C ATOM 1514 OG SER A 100 -10.056 -19.045 18.509 1.00 0.00 O ATOM 0 H SER A 100 -9.374 -19.551 15.958 1.00 0.00 H new ATOM 0 HA SER A 100 -7.698 -18.199 17.783 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.264 -20.828 17.855 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.491 -20.143 19.271 1.00 0.00 H new ATOM 0 HG SER A 100 -10.711 -19.495 19.082 1.00 0.00 H new ATOM 1520 N ALA A 101 -6.336 -20.739 16.348 1.00 0.00 N ATOM 1521 CA ALA A 101 -5.168 -21.605 16.223 1.00 0.00 C ATOM 1522 C ALA A 101 -5.020 -22.580 17.396 1.00 0.00 C ATOM 1523 O ALA A 101 -3.966 -23.186 17.572 1.00 0.00 O ATOM 1524 CB ALA A 101 -3.920 -20.752 15.988 1.00 0.00 C ATOM 0 H ALA A 101 -6.934 -20.750 15.522 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.308 -22.247 15.353 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.049 -21.400 15.895 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.042 -20.174 15.072 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.779 -20.074 16.829 1.00 0.00 H new ATOM 1530 N ALA A 102 -6.076 -22.732 18.203 1.00 0.00 N ATOM 1531 CA ALA A 102 -6.065 -23.593 19.377 1.00 0.00 C ATOM 1532 C ALA A 102 -7.448 -24.181 19.677 1.00 0.00 C ATOM 1533 O ALA A 102 -7.613 -24.900 20.662 1.00 0.00 O ATOM 1534 CB ALA A 102 -5.558 -22.790 20.569 1.00 0.00 C ATOM 0 H ALA A 102 -6.965 -22.255 18.053 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.403 -24.436 19.180 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.545 -23.424 21.456 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.549 -22.432 20.364 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -6.217 -21.939 20.741 1.00 0.00 H new ATOM 1540 N GLU A 103 -8.448 -23.887 18.839 1.00 0.00 N ATOM 1541 CA GLU A 103 -9.808 -24.363 19.060 1.00 0.00 C ATOM 1542 C GLU A 103 -9.990 -25.813 18.610 1.00 0.00 C ATOM 1543 O GLU A 103 -11.061 -26.391 18.792 1.00 0.00 O ATOM 1544 CB GLU A 103 -10.801 -23.433 18.357 1.00 0.00 C ATOM 1545 CG GLU A 103 -10.575 -23.394 16.843 1.00 0.00 C ATOM 1546 CD GLU A 103 -11.639 -22.532 16.167 1.00 0.00 C ATOM 1547 OE1 GLU A 103 -11.565 -21.294 16.321 1.00 0.00 O ATOM 1548 OE2 GLU A 103 -12.517 -23.120 15.498 1.00 0.00 O ATOM 0 H GLU A 103 -8.335 -23.319 17.999 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.004 -24.346 20.132 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.818 -23.766 18.564 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.706 -22.426 18.764 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.584 -22.995 16.627 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.606 -24.406 16.438 1.00 0.00 H new ATOM 1555 N MET A 104 -8.945 -26.398 18.020 1.00 0.00 N ATOM 1556 CA MET A 104 -8.956 -27.769 17.527 1.00 0.00 C ATOM 1557 C MET A 104 -8.147 -28.696 18.439 1.00 0.00 C ATOM 1558 O MET A 104 -7.896 -29.845 18.082 1.00 0.00 O ATOM 1559 CB MET A 104 -8.439 -27.803 16.088 1.00 0.00 C ATOM 1560 CG MET A 104 -9.365 -26.996 15.178 1.00 0.00 C ATOM 1561 SD MET A 104 -8.832 -26.914 13.448 1.00 0.00 S ATOM 1562 CE MET A 104 -7.372 -25.860 13.636 1.00 0.00 C ATOM 0 H MET A 104 -8.056 -25.921 17.871 1.00 0.00 H new ATOM 0 HA MET A 104 -9.982 -28.137 17.535 1.00 0.00 H new ATOM 0 HB2 MET A 104 -7.429 -27.395 16.046 1.00 0.00 H new ATOM 0 HB3 MET A 104 -8.381 -28.834 15.739 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.363 -27.432 15.217 1.00 0.00 H new ATOM 0 HG3 MET A 104 -9.445 -25.982 15.569 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.046 -25.512 12.656 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.620 -25.003 14.262 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.569 -26.430 14.104 1.00 0.00 H new ATOM 1572 N TYR A 105 -7.742 -28.202 19.611 1.00 0.00 N ATOM 1573 CA TYR A 105 -6.941 -28.967 20.560 1.00 0.00 C ATOM 1574 C TYR A 105 -7.526 -28.903 21.971 1.00 0.00 C ATOM 1575 O TYR A 105 -6.943 -29.451 22.905 1.00 0.00 O ATOM 1576 CB TYR A 105 -5.504 -28.445 20.545 1.00 0.00 C ATOM 1577 CG TYR A 105 -4.872 -28.425 19.169 1.00 0.00 C ATOM 1578 CD1 TYR A 105 -4.175 -29.546 18.690 1.00 0.00 C ATOM 1579 CD2 TYR A 105 -4.985 -27.277 18.373 1.00 0.00 C ATOM 1580 CE1 TYR A 105 -3.588 -29.512 17.415 1.00 0.00 C ATOM 1581 CE2 TYR A 105 -4.402 -27.234 17.098 1.00 0.00 C ATOM 1582 CZ TYR A 105 -3.700 -28.358 16.612 1.00 0.00 C ATOM 1583 OH TYR A 105 -3.133 -28.330 15.372 1.00 0.00 O ATOM 0 H TYR A 105 -7.963 -27.257 19.926 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.950 -30.014 20.257 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -5.491 -27.435 20.955 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -4.896 -29.065 21.204 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.091 -30.432 19.301 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.525 -26.419 18.744 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.049 -30.373 17.048 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -4.490 -26.345 16.491 1.00 0.00 H new ATOM 0 HH TYR A 105 -3.305 -27.461 14.953 1.00 0.00 H new ATOM 1593 N GLY A 106 -8.674 -28.236 22.132 1.00 0.00 N ATOM 1594 CA GLY A 106 -9.338 -28.099 23.421 1.00 0.00 C ATOM 1595 C GLY A 106 -10.684 -27.406 23.257 1.00 0.00 C ATOM 1596 O GLY A 106 -11.068 -27.047 22.146 1.00 0.00 O ATOM 1597 OXT GLY A 106 -11.407 -27.194 24.216 1.00 0.00 O ATOM 0 H GLY A 106 -9.166 -27.776 21.366 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.481 -29.082 23.869 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.708 -27.527 24.102 1.00 0.00 H new