USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 784 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 28 TYR OH : rot 2:sc= -0.378 USER MOD Set 1.2: A 48 THR OG1 : rot -72:sc= 0.819 USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.6!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 72:sc= -1.44! USER MOD Single : A 50 SER OG : rot 82:sc= 1.23 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.636 K(o=-0.64,f=-4!) USER MOD Single : A 57 GLN : amide:sc= -0.811 K(o=-0.81,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 40:sc= 0.47 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.7!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 50:sc= -6.28! USER MOD Single : A 87 SER OG : rot 146:sc= 0.0275 USER MOD Single : A 92 LYS NZ :NH3+ -150:sc= 1.1 (180deg=-0.344) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot -38:sc= -0.771 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.067) USER MOD Single : A 105 SER OG : rot -56:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 112 N ALA A 10 -8.580 3.601 11.832 1.00 0.00 N ATOM 113 CA ALA A 10 -7.340 3.627 11.066 1.00 0.00 C ATOM 114 C ALA A 10 -7.571 3.167 9.632 1.00 0.00 C ATOM 115 O ALA A 10 -8.063 2.063 9.394 1.00 0.00 O ATOM 116 CB ALA A 10 -6.288 2.758 11.739 1.00 0.00 C ATOM 0 HA ALA A 10 -6.981 4.656 11.035 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.367 2.786 11.157 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.094 3.134 12.744 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.648 1.731 11.799 1.00 0.00 H new ATOM 122 N LYS A 11 -7.213 4.020 8.677 1.00 0.00 N ATOM 123 CA LYS A 11 -7.380 3.701 7.264 1.00 0.00 C ATOM 124 C LYS A 11 -6.411 2.603 6.836 1.00 0.00 C ATOM 125 O LYS A 11 -5.225 2.856 6.625 1.00 0.00 O ATOM 126 CB LYS A 11 -7.165 4.952 6.409 1.00 0.00 C ATOM 127 CG LYS A 11 -8.457 5.665 6.040 1.00 0.00 C ATOM 128 CD LYS A 11 -8.389 7.150 6.359 1.00 0.00 C ATOM 129 CE LYS A 11 -8.040 7.969 5.128 1.00 0.00 C ATOM 130 NZ LYS A 11 -8.562 9.360 5.221 1.00 0.00 N ATOM 0 H LYS A 11 -6.805 4.938 8.857 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.397 3.339 7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.519 5.644 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.640 4.672 5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.657 5.530 4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.289 5.214 6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.348 7.482 6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.644 7.323 7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.957 7.995 5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.451 7.485 4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.303 9.886 4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.598 9.337 5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.151 9.830 6.052 1.00 0.00 H new ATOM 144 N LYS A 12 -6.925 1.384 6.709 1.00 0.00 N ATOM 145 CA LYS A 12 -6.105 0.248 6.305 1.00 0.00 C ATOM 146 C LYS A 12 -5.777 0.317 4.817 1.00 0.00 C ATOM 147 O LYS A 12 -6.672 0.305 3.973 1.00 0.00 O ATOM 148 CB LYS A 12 -6.826 -1.065 6.620 1.00 0.00 C ATOM 149 CG LYS A 12 -6.955 -1.346 8.107 1.00 0.00 C ATOM 150 CD LYS A 12 -5.716 -2.038 8.653 1.00 0.00 C ATOM 151 CE LYS A 12 -5.440 -1.637 10.094 1.00 0.00 C ATOM 152 NZ LYS A 12 -5.823 -2.711 11.052 1.00 0.00 N ATOM 0 H LYS A 12 -7.905 1.158 6.880 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.172 0.286 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.821 -1.039 6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.288 -1.887 6.149 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.116 -0.410 8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.830 -1.970 8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.846 -3.119 8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.855 -1.786 8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.381 -1.407 10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.991 -0.727 10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.619 -2.399 12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.839 -2.913 10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.278 -3.572 10.844 1.00 0.00 H new ATOM 166 N VAL A 13 -4.486 0.388 4.504 1.00 0.00 N ATOM 167 CA VAL A 13 -4.041 0.459 3.118 1.00 0.00 C ATOM 168 C VAL A 13 -2.906 -0.526 2.853 1.00 0.00 C ATOM 169 O VAL A 13 -1.963 -0.627 3.638 1.00 0.00 O ATOM 170 CB VAL A 13 -3.568 1.878 2.752 1.00 0.00 C ATOM 171 CG1 VAL A 13 -4.756 2.816 2.600 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.596 2.403 3.798 1.00 0.00 C ATOM 0 H VAL A 13 -3.732 0.398 5.191 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.898 0.198 2.498 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.047 1.831 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.401 3.814 2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.411 2.448 1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.308 2.859 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.272 3.407 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.089 2.434 4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.729 1.744 3.852 1.00 0.00 H new ATOM 182 N ARG A 14 -3.005 -1.250 1.744 1.00 0.00 N ATOM 183 CA ARG A 14 -1.987 -2.228 1.375 1.00 0.00 C ATOM 184 C ARG A 14 -1.055 -1.666 0.307 1.00 0.00 C ATOM 185 O ARG A 14 -1.481 -0.912 -0.568 1.00 0.00 O ATOM 186 CB ARG A 14 -2.644 -3.514 0.872 1.00 0.00 C ATOM 187 CG ARG A 14 -1.904 -4.777 1.286 1.00 0.00 C ATOM 188 CD ARG A 14 -2.868 -5.896 1.645 1.00 0.00 C ATOM 189 NE ARG A 14 -2.211 -6.968 2.388 1.00 0.00 N ATOM 190 CZ ARG A 14 -2.844 -8.039 2.860 1.00 0.00 C ATOM 191 NH1 ARG A 14 -4.149 -8.187 2.668 1.00 0.00 N ATOM 192 NH2 ARG A 14 -2.170 -8.968 3.526 1.00 0.00 N ATOM 0 H ARG A 14 -3.780 -1.179 1.084 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.397 -2.454 2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.666 -3.562 1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.706 -3.479 -0.216 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.254 -5.102 0.473 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.262 -4.560 2.140 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.687 -5.492 2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.307 -6.303 0.734 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.208 -6.891 2.555 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.673 -7.477 2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.628 -9.010 3.033 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.167 -8.861 3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.655 -9.789 3.888 1.00 0.00 H new ATOM 206 N PHE A 15 0.218 -2.038 0.383 1.00 0.00 N ATOM 207 CA PHE A 15 1.211 -1.571 -0.578 1.00 0.00 C ATOM 208 C PHE A 15 2.055 -2.731 -1.096 1.00 0.00 C ATOM 209 O PHE A 15 2.590 -3.519 -0.316 1.00 0.00 O ATOM 210 CB PHE A 15 2.113 -0.514 0.061 1.00 0.00 C ATOM 211 CG PHE A 15 1.377 0.721 0.495 1.00 0.00 C ATOM 212 CD1 PHE A 15 0.964 1.660 -0.435 1.00 0.00 C ATOM 213 CD2 PHE A 15 1.099 0.942 1.834 1.00 0.00 C ATOM 214 CE1 PHE A 15 0.286 2.797 -0.039 1.00 0.00 C ATOM 215 CE2 PHE A 15 0.422 2.078 2.237 1.00 0.00 C ATOM 216 CZ PHE A 15 0.015 3.007 1.299 1.00 0.00 C ATOM 0 H PHE A 15 0.587 -2.662 1.101 1.00 0.00 H new ATOM 0 HA PHE A 15 0.682 -1.126 -1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.615 -0.950 0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.890 -0.233 -0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.174 1.502 -1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.415 0.219 2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.032 3.521 -0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.212 2.239 3.284 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.514 3.895 1.611 1.00 0.00 H new ATOM 226 N TYR A 16 2.172 -2.828 -2.416 1.00 0.00 N ATOM 227 CA TYR A 16 2.953 -3.891 -3.038 1.00 0.00 C ATOM 228 C TYR A 16 4.217 -3.332 -3.683 1.00 0.00 C ATOM 229 O TYR A 16 4.382 -2.118 -3.799 1.00 0.00 O ATOM 230 CB TYR A 16 2.114 -4.623 -4.087 1.00 0.00 C ATOM 231 CG TYR A 16 0.777 -5.101 -3.568 1.00 0.00 C ATOM 232 CD1 TYR A 16 0.701 -6.092 -2.597 1.00 0.00 C ATOM 233 CD2 TYR A 16 -0.409 -4.563 -4.049 1.00 0.00 C ATOM 234 CE1 TYR A 16 -0.518 -6.533 -2.120 1.00 0.00 C ATOM 235 CE2 TYR A 16 -1.633 -4.998 -3.577 1.00 0.00 C ATOM 236 CZ TYR A 16 -1.683 -5.983 -2.613 1.00 0.00 C ATOM 237 OH TYR A 16 -2.900 -6.419 -2.141 1.00 0.00 O ATOM 0 H TYR A 16 1.736 -2.184 -3.076 1.00 0.00 H new ATOM 0 HA TYR A 16 3.244 -4.596 -2.259 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.948 -3.959 -4.935 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.677 -5.479 -4.458 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.611 -6.525 -2.208 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.375 -3.792 -4.804 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.559 -7.304 -1.365 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.546 -4.568 -3.961 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.620 -5.929 -2.591 1.00 0.00 H new ATOM 247 N ARG A 17 5.108 -4.226 -4.099 1.00 0.00 N ATOM 248 CA ARG A 17 6.359 -3.822 -4.731 1.00 0.00 C ATOM 249 C ARG A 17 6.232 -3.848 -6.252 1.00 0.00 C ATOM 250 O ARG A 17 5.843 -4.861 -6.834 1.00 0.00 O ATOM 251 CB ARG A 17 7.501 -4.737 -4.282 1.00 0.00 C ATOM 252 CG ARG A 17 8.659 -3.993 -3.640 1.00 0.00 C ATOM 253 CD ARG A 17 9.256 -4.779 -2.483 1.00 0.00 C ATOM 254 NE ARG A 17 9.565 -6.156 -2.859 1.00 0.00 N ATOM 255 CZ ARG A 17 10.112 -7.045 -2.032 1.00 0.00 C ATOM 256 NH1 ARG A 17 10.411 -6.704 -0.785 1.00 0.00 N ATOM 257 NH2 ARG A 17 10.362 -8.277 -2.454 1.00 0.00 N ATOM 0 H ARG A 17 4.987 -5.235 -4.010 1.00 0.00 H new ATOM 0 HA ARG A 17 6.582 -2.801 -4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.112 -5.468 -3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.870 -5.293 -5.144 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.429 -3.803 -4.387 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.315 -3.022 -3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.164 -4.284 -2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.557 -4.780 -1.646 1.00 0.00 H new ATOM 0 HE ARG A 17 9.349 -6.454 -3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.222 -5.757 -0.456 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.830 -7.389 -0.156 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.135 -8.544 -3.412 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.781 -8.958 -1.821 1.00 0.00 H new ATOM 271 N ASN A 18 6.562 -2.729 -6.888 1.00 0.00 N ATOM 272 CA ASN A 18 6.483 -2.624 -8.341 1.00 0.00 C ATOM 273 C ASN A 18 7.388 -3.654 -9.010 1.00 0.00 C ATOM 274 O ASN A 18 8.613 -3.547 -8.957 1.00 0.00 O ATOM 275 CB ASN A 18 6.873 -1.216 -8.793 1.00 0.00 C ATOM 276 CG ASN A 18 6.073 -0.753 -9.995 1.00 0.00 C ATOM 277 OD1 ASN A 18 5.370 -1.541 -10.628 1.00 0.00 O ATOM 278 ND2 ASN A 18 6.177 0.531 -10.318 1.00 0.00 N ATOM 0 H ASN A 18 6.887 -1.882 -6.421 1.00 0.00 H new ATOM 0 HA ASN A 18 5.454 -2.822 -8.640 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.723 -0.518 -7.969 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.935 -1.197 -9.037 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.663 0.899 -11.118 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.771 1.149 -9.766 1.00 0.00 H new ATOM 285 N GLY A 19 6.775 -4.651 -9.639 1.00 0.00 N ATOM 286 CA GLY A 19 7.540 -5.685 -10.310 1.00 0.00 C ATOM 287 C GLY A 19 7.819 -6.875 -9.412 1.00 0.00 C ATOM 288 O GLY A 19 8.868 -7.510 -9.520 1.00 0.00 O ATOM 0 H GLY A 19 5.763 -4.761 -9.696 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.996 -6.020 -11.193 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.485 -5.266 -10.657 1.00 0.00 H new ATOM 292 N ASP A 20 6.878 -7.177 -8.524 1.00 0.00 N ATOM 293 CA ASP A 20 7.027 -8.297 -7.603 1.00 0.00 C ATOM 294 C ASP A 20 5.678 -8.945 -7.310 1.00 0.00 C ATOM 295 O ASP A 20 4.996 -8.575 -6.354 1.00 0.00 O ATOM 296 CB ASP A 20 7.676 -7.830 -6.299 1.00 0.00 C ATOM 297 CG ASP A 20 8.426 -8.945 -5.595 1.00 0.00 C ATOM 298 OD1 ASP A 20 7.914 -10.084 -5.575 1.00 0.00 O ATOM 299 OD2 ASP A 20 9.525 -8.678 -5.064 1.00 0.00 O ATOM 0 H ASP A 20 6.004 -6.661 -8.423 1.00 0.00 H new ATOM 0 HA ASP A 20 7.671 -9.039 -8.075 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.363 -7.011 -6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.907 -7.437 -5.634 1.00 0.00 H new ATOM 304 N ARG A 21 5.298 -9.912 -8.139 1.00 0.00 N ATOM 305 CA ARG A 21 4.030 -10.610 -7.968 1.00 0.00 C ATOM 306 C ARG A 21 4.104 -11.597 -6.807 1.00 0.00 C ATOM 307 O ARG A 21 3.123 -11.808 -6.094 1.00 0.00 O ATOM 308 CB ARG A 21 3.652 -11.346 -9.254 1.00 0.00 C ATOM 309 CG ARG A 21 4.740 -12.276 -9.766 1.00 0.00 C ATOM 310 CD ARG A 21 4.169 -13.357 -10.669 1.00 0.00 C ATOM 311 NE ARG A 21 4.292 -13.012 -12.083 1.00 0.00 N ATOM 312 CZ ARG A 21 4.206 -13.899 -13.073 1.00 0.00 C ATOM 313 NH1 ARG A 21 3.994 -15.181 -12.807 1.00 0.00 N ATOM 314 NH2 ARG A 21 4.328 -13.501 -14.332 1.00 0.00 N ATOM 0 H ARG A 21 5.850 -10.230 -8.936 1.00 0.00 H new ATOM 0 HA ARG A 21 3.263 -9.869 -7.743 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.745 -11.924 -9.078 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.419 -10.613 -10.027 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.485 -11.699 -10.314 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.252 -12.738 -8.922 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.686 -14.298 -10.479 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.119 -13.516 -10.425 1.00 0.00 H new ATOM 0 HE ARG A 21 4.453 -12.035 -12.327 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.896 -15.492 -11.840 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.929 -15.856 -13.569 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.488 -12.516 -14.542 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.262 -14.180 -15.090 1.00 0.00 H new ATOM 328 N TYR A 22 5.275 -12.197 -6.622 1.00 0.00 N ATOM 329 CA TYR A 22 5.478 -13.162 -5.547 1.00 0.00 C ATOM 330 C TYR A 22 5.235 -12.519 -4.186 1.00 0.00 C ATOM 331 O TYR A 22 4.808 -13.185 -3.242 1.00 0.00 O ATOM 332 CB TYR A 22 6.895 -13.734 -5.608 1.00 0.00 C ATOM 333 CG TYR A 22 7.102 -14.725 -6.731 1.00 0.00 C ATOM 334 CD1 TYR A 22 7.238 -14.297 -8.045 1.00 0.00 C ATOM 335 CD2 TYR A 22 7.161 -16.089 -6.475 1.00 0.00 C ATOM 336 CE1 TYR A 22 7.427 -15.199 -9.074 1.00 0.00 C ATOM 337 CE2 TYR A 22 7.350 -16.999 -7.499 1.00 0.00 C ATOM 338 CZ TYR A 22 7.483 -16.549 -8.795 1.00 0.00 C ATOM 339 OH TYR A 22 7.670 -17.452 -9.818 1.00 0.00 O ATOM 0 H TYR A 22 6.098 -12.032 -7.202 1.00 0.00 H new ATOM 0 HA TYR A 22 4.761 -13.972 -5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.604 -12.914 -5.724 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.122 -14.220 -4.659 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.195 -13.241 -8.266 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.058 -16.444 -5.460 1.00 0.00 H new ATOM 0 HE1 TYR A 22 7.530 -14.850 -10.091 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.393 -18.057 -7.284 1.00 0.00 H new ATOM 0 HH TYR A 22 7.687 -18.361 -9.453 1.00 0.00 H new ATOM 349 N PHE A 23 5.508 -11.223 -4.091 1.00 0.00 N ATOM 350 CA PHE A 23 5.320 -10.490 -2.844 1.00 0.00 C ATOM 351 C PHE A 23 3.864 -10.552 -2.390 1.00 0.00 C ATOM 352 O PHE A 23 2.945 -10.463 -3.204 1.00 0.00 O ATOM 353 CB PHE A 23 5.750 -9.032 -3.015 1.00 0.00 C ATOM 354 CG PHE A 23 6.023 -8.331 -1.714 1.00 0.00 C ATOM 355 CD1 PHE A 23 7.228 -8.512 -1.054 1.00 0.00 C ATOM 356 CD2 PHE A 23 5.075 -7.491 -1.153 1.00 0.00 C ATOM 357 CE1 PHE A 23 7.481 -7.868 0.143 1.00 0.00 C ATOM 358 CE2 PHE A 23 5.322 -6.844 0.043 1.00 0.00 C ATOM 359 CZ PHE A 23 6.528 -7.034 0.692 1.00 0.00 C ATOM 0 H PHE A 23 5.861 -10.657 -4.863 1.00 0.00 H new ATOM 0 HA PHE A 23 5.941 -10.958 -2.080 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.647 -8.996 -3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.971 -8.492 -3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.977 -9.163 -1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.131 -7.340 -1.656 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.424 -8.017 0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.575 -6.191 0.470 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.724 -6.531 1.627 1.00 0.00 H new ATOM 369 N LYS A 24 3.663 -10.706 -1.085 1.00 0.00 N ATOM 370 CA LYS A 24 2.320 -10.779 -0.523 1.00 0.00 C ATOM 371 C LYS A 24 1.728 -9.384 -0.344 1.00 0.00 C ATOM 372 O LYS A 24 0.571 -9.141 -0.691 1.00 0.00 O ATOM 373 CB LYS A 24 2.347 -11.509 0.821 1.00 0.00 C ATOM 374 CG LYS A 24 2.742 -12.973 0.710 1.00 0.00 C ATOM 375 CD LYS A 24 3.568 -13.422 1.907 1.00 0.00 C ATOM 376 CE LYS A 24 2.985 -14.668 2.554 1.00 0.00 C ATOM 377 NZ LYS A 24 3.599 -15.912 2.017 1.00 0.00 N ATOM 0 H LYS A 24 4.413 -10.783 -0.398 1.00 0.00 H new ATOM 0 HA LYS A 24 1.692 -11.334 -1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.046 -11.002 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.362 -11.441 1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.845 -13.588 0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.313 -13.128 -0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.591 -13.621 1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.613 -12.617 2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.140 -14.623 3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.908 -14.694 2.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.174 -16.738 2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.430 -15.968 0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.623 -15.900 2.199 1.00 0.00 H new ATOM 391 N GLY A 25 2.528 -8.473 0.198 1.00 0.00 N ATOM 392 CA GLY A 25 2.067 -7.113 0.413 1.00 0.00 C ATOM 393 C GLY A 25 2.146 -6.697 1.868 1.00 0.00 C ATOM 394 O GLY A 25 2.065 -7.536 2.767 1.00 0.00 O ATOM 0 H GLY A 25 3.488 -8.651 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.666 -6.430 -0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.037 -7.023 0.068 1.00 0.00 H new ATOM 398 N ILE A 26 2.306 -5.398 2.103 1.00 0.00 N ATOM 399 CA ILE A 26 2.397 -4.872 3.459 1.00 0.00 C ATOM 400 C ILE A 26 1.200 -3.982 3.784 1.00 0.00 C ATOM 401 O ILE A 26 0.900 -3.036 3.056 1.00 0.00 O ATOM 402 CB ILE A 26 3.696 -4.067 3.663 1.00 0.00 C ATOM 403 CG1 ILE A 26 3.823 -3.616 5.120 1.00 0.00 C ATOM 404 CG2 ILE A 26 3.736 -2.870 2.725 1.00 0.00 C ATOM 405 CD1 ILE A 26 5.244 -3.645 5.639 1.00 0.00 C ATOM 0 H ILE A 26 2.375 -4.691 1.371 1.00 0.00 H new ATOM 0 HA ILE A 26 2.402 -5.729 4.133 1.00 0.00 H new ATOM 0 HB ILE A 26 4.542 -4.713 3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.431 -2.603 5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.203 -4.257 5.746 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.660 -2.314 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.693 -3.216 1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.883 -2.221 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.259 -3.313 6.677 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.633 -4.661 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.865 -2.981 5.037 1.00 0.00 H new ATOM 417 N VAL A 27 0.520 -4.292 4.884 1.00 0.00 N ATOM 418 CA VAL A 27 -0.643 -3.522 5.305 1.00 0.00 C ATOM 419 C VAL A 27 -0.234 -2.352 6.194 1.00 0.00 C ATOM 420 O VAL A 27 0.628 -2.491 7.062 1.00 0.00 O ATOM 421 CB VAL A 27 -1.654 -4.400 6.066 1.00 0.00 C ATOM 422 CG1 VAL A 27 -2.942 -3.633 6.324 1.00 0.00 C ATOM 423 CG2 VAL A 27 -1.933 -5.682 5.296 1.00 0.00 C ATOM 0 H VAL A 27 0.755 -5.071 5.499 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.114 -3.141 4.399 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.221 -4.669 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.643 -4.270 6.863 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.725 -2.747 6.921 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.382 -3.331 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.649 -6.290 5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.345 -5.436 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.005 -6.240 5.170 1.00 0.00 H new ATOM 433 N TYR A 28 -0.857 -1.199 5.970 1.00 0.00 N ATOM 434 CA TYR A 28 -0.557 -0.004 6.751 1.00 0.00 C ATOM 435 C TYR A 28 -1.830 0.594 7.343 1.00 0.00 C ATOM 436 O TYR A 28 -2.910 0.477 6.764 1.00 0.00 O ATOM 437 CB TYR A 28 0.152 1.034 5.879 1.00 0.00 C ATOM 438 CG TYR A 28 1.657 1.022 6.027 1.00 0.00 C ATOM 439 CD1 TYR A 28 2.431 0.064 5.382 1.00 0.00 C ATOM 440 CD2 TYR A 28 2.304 1.968 6.812 1.00 0.00 C ATOM 441 CE1 TYR A 28 3.807 0.050 5.516 1.00 0.00 C ATOM 442 CE2 TYR A 28 3.679 1.961 6.950 1.00 0.00 C ATOM 443 CZ TYR A 28 4.425 1.000 6.301 1.00 0.00 C ATOM 444 OH TYR A 28 5.795 0.990 6.435 1.00 0.00 O ATOM 0 H TYR A 28 -1.572 -1.067 5.255 1.00 0.00 H new ATOM 0 HA TYR A 28 0.102 -0.291 7.571 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.104 0.855 4.835 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.222 2.026 6.133 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.950 -0.681 4.766 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.723 2.721 7.323 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.394 -0.701 5.009 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.167 2.704 7.563 1.00 0.00 H new ATOM 0 HH TYR A 28 6.172 0.268 5.890 1.00 0.00 H new ATOM 454 N ALA A 29 -1.695 1.233 8.501 1.00 0.00 N ATOM 455 CA ALA A 29 -2.833 1.849 9.172 1.00 0.00 C ATOM 456 C ALA A 29 -2.668 3.362 9.256 1.00 0.00 C ATOM 457 O ALA A 29 -2.030 3.877 10.173 1.00 0.00 O ATOM 458 CB ALA A 29 -3.007 1.258 10.563 1.00 0.00 C ATOM 0 H ALA A 29 -0.808 1.337 8.994 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.727 1.640 8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.860 1.727 11.053 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.179 0.185 10.483 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.107 1.439 11.150 1.00 0.00 H new ATOM 464 N ILE A 30 -3.248 4.070 8.292 1.00 0.00 N ATOM 465 CA ILE A 30 -3.166 5.524 8.256 1.00 0.00 C ATOM 466 C ILE A 30 -4.101 6.153 9.285 1.00 0.00 C ATOM 467 O ILE A 30 -5.322 6.081 9.153 1.00 0.00 O ATOM 468 CB ILE A 30 -3.515 6.074 6.860 1.00 0.00 C ATOM 469 CG1 ILE A 30 -2.737 5.317 5.781 1.00 0.00 C ATOM 470 CG2 ILE A 30 -3.221 7.564 6.788 1.00 0.00 C ATOM 471 CD1 ILE A 30 -1.236 5.450 5.916 1.00 0.00 C ATOM 0 H ILE A 30 -3.780 3.659 7.525 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.136 5.787 8.494 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.580 5.927 6.683 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.006 4.262 5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.040 5.684 4.800 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.473 7.937 5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.817 8.089 7.535 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.162 7.736 6.982 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.748 4.889 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.956 6.501 5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.921 5.056 6.882 1.00 0.00 H new ATOM 483 N SER A 31 -3.518 6.767 10.309 1.00 0.00 N ATOM 484 CA SER A 31 -4.300 7.409 11.360 1.00 0.00 C ATOM 485 C SER A 31 -3.551 8.606 11.941 1.00 0.00 C ATOM 486 O SER A 31 -2.320 8.619 11.983 1.00 0.00 O ATOM 487 CB SER A 31 -4.621 6.404 12.469 1.00 0.00 C ATOM 488 OG SER A 31 -5.992 6.456 12.823 1.00 0.00 O ATOM 0 H SER A 31 -2.508 6.834 10.434 1.00 0.00 H new ATOM 0 HA SER A 31 -5.232 7.766 10.921 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.366 5.398 12.137 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.008 6.616 13.345 1.00 0.00 H new ATOM 0 HG SER A 31 -6.172 5.804 13.532 1.00 0.00 H new ATOM 494 N PRO A 32 -4.287 9.633 12.401 1.00 0.00 N ATOM 495 CA PRO A 32 -3.684 10.838 12.981 1.00 0.00 C ATOM 496 C PRO A 32 -2.692 10.511 14.091 1.00 0.00 C ATOM 497 O PRO A 32 -1.737 11.254 14.323 1.00 0.00 O ATOM 498 CB PRO A 32 -4.886 11.600 13.547 1.00 0.00 C ATOM 499 CG PRO A 32 -6.045 11.135 12.736 1.00 0.00 C ATOM 500 CD PRO A 32 -5.760 9.700 12.391 1.00 0.00 C ATOM 0 HA PRO A 32 -3.112 11.403 12.244 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.030 11.382 14.605 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.748 12.678 13.459 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.975 11.224 13.298 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.158 11.738 11.835 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.198 9.017 13.119 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.168 9.432 11.416 1.00 0.00 H new ATOM 508 N ASP A 33 -2.923 9.396 14.775 1.00 0.00 N ATOM 509 CA ASP A 33 -2.048 8.969 15.862 1.00 0.00 C ATOM 510 C ASP A 33 -0.847 8.198 15.324 1.00 0.00 C ATOM 511 O ASP A 33 0.240 8.240 15.900 1.00 0.00 O ATOM 512 CB ASP A 33 -2.822 8.103 16.857 1.00 0.00 C ATOM 513 CG ASP A 33 -3.558 6.962 16.180 1.00 0.00 C ATOM 514 OD1 ASP A 33 -2.903 6.173 15.468 1.00 0.00 O ATOM 515 OD2 ASP A 33 -4.789 6.860 16.362 1.00 0.00 O ATOM 0 H ASP A 33 -3.709 8.771 14.596 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.684 9.860 16.373 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.131 7.698 17.596 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.537 8.724 17.396 1.00 0.00 H new ATOM 520 N ARG A 34 -1.052 7.494 14.215 1.00 0.00 N ATOM 521 CA ARG A 34 0.014 6.711 13.600 1.00 0.00 C ATOM 522 C ARG A 34 0.905 7.595 12.730 1.00 0.00 C ATOM 523 O ARG A 34 2.089 7.772 13.015 1.00 0.00 O ATOM 524 CB ARG A 34 -0.578 5.575 12.762 1.00 0.00 C ATOM 525 CG ARG A 34 -0.113 4.194 13.196 1.00 0.00 C ATOM 526 CD ARG A 34 -1.026 3.608 14.260 1.00 0.00 C ATOM 527 NE ARG A 34 -0.469 3.759 15.603 1.00 0.00 N ATOM 528 CZ ARG A 34 -0.899 3.080 16.664 1.00 0.00 C ATOM 529 NH1 ARG A 34 -1.889 2.204 16.544 1.00 0.00 N ATOM 530 NH2 ARG A 34 -0.337 3.277 17.849 1.00 0.00 N ATOM 0 H ARG A 34 -1.945 7.450 13.725 1.00 0.00 H new ATOM 0 HA ARG A 34 0.625 6.284 14.395 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.665 5.619 12.822 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.310 5.728 11.717 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.086 3.530 12.332 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.904 4.256 13.582 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.998 4.098 14.214 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.192 2.551 14.053 1.00 0.00 H new ATOM 0 HE ARG A 34 0.294 4.423 15.735 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.325 2.048 15.635 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.214 1.687 17.361 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.424 3.949 17.947 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.666 2.757 18.662 1.00 0.00 H new ATOM 544 N PHE A 35 0.325 8.145 11.668 1.00 0.00 N ATOM 545 CA PHE A 35 1.066 9.011 10.756 1.00 0.00 C ATOM 546 C PHE A 35 0.523 10.435 10.795 1.00 0.00 C ATOM 547 O PHE A 35 -0.389 10.742 11.564 1.00 0.00 O ATOM 548 CB PHE A 35 0.992 8.463 9.330 1.00 0.00 C ATOM 549 CG PHE A 35 1.509 7.059 9.198 1.00 0.00 C ATOM 550 CD1 PHE A 35 0.668 5.976 9.397 1.00 0.00 C ATOM 551 CD2 PHE A 35 2.835 6.823 8.875 1.00 0.00 C ATOM 552 CE1 PHE A 35 1.140 4.683 9.276 1.00 0.00 C ATOM 553 CE2 PHE A 35 3.314 5.531 8.753 1.00 0.00 C ATOM 554 CZ PHE A 35 2.465 4.461 8.953 1.00 0.00 C ATOM 0 H PHE A 35 -0.654 8.007 11.417 1.00 0.00 H new ATOM 0 HA PHE A 35 2.107 9.031 11.078 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.044 8.493 8.991 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.563 9.115 8.669 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.368 6.144 9.650 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.503 7.657 8.717 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.474 3.847 9.434 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.350 5.360 8.502 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.836 3.451 8.857 1.00 0.00 H new ATOM 564 N ARG A 36 1.087 11.301 9.961 1.00 0.00 N ATOM 565 CA ARG A 36 0.659 12.694 9.899 1.00 0.00 C ATOM 566 C ARG A 36 0.975 13.301 8.536 1.00 0.00 C ATOM 567 O ARG A 36 0.132 13.966 7.931 1.00 0.00 O ATOM 568 CB ARG A 36 1.339 13.508 11.002 1.00 0.00 C ATOM 569 CG ARG A 36 0.813 14.929 11.121 1.00 0.00 C ATOM 570 CD ARG A 36 -0.424 14.992 12.002 1.00 0.00 C ATOM 571 NE ARG A 36 -1.032 16.320 11.998 1.00 0.00 N ATOM 572 CZ ARG A 36 -2.281 16.565 12.389 1.00 0.00 C ATOM 573 NH1 ARG A 36 -3.055 15.574 12.815 1.00 0.00 N ATOM 574 NH2 ARG A 36 -2.756 17.802 12.356 1.00 0.00 N ATOM 0 H ARG A 36 1.842 11.063 9.318 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.420 12.723 10.048 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.202 12.998 11.955 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.411 13.541 10.809 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.589 15.572 11.535 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.575 15.314 10.130 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.153 14.259 11.657 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.156 14.719 13.023 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.467 17.106 11.677 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.693 14.621 12.844 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.011 15.766 13.114 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.165 18.567 12.031 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.713 17.989 12.656 1.00 0.00 H new ATOM 588 N SER A 37 2.191 13.067 8.056 1.00 0.00 N ATOM 589 CA SER A 37 2.619 13.590 6.764 1.00 0.00 C ATOM 590 C SER A 37 3.089 12.464 5.849 1.00 0.00 C ATOM 591 O SER A 37 3.259 11.326 6.287 1.00 0.00 O ATOM 592 CB SER A 37 3.741 14.613 6.950 1.00 0.00 C ATOM 593 OG SER A 37 3.252 15.806 7.540 1.00 0.00 O ATOM 0 H SER A 37 2.899 12.518 8.543 1.00 0.00 H new ATOM 0 HA SER A 37 1.764 14.080 6.298 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.524 14.188 7.578 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.194 14.840 5.985 1.00 0.00 H new ATOM 0 HG SER A 37 3.989 16.443 7.650 1.00 0.00 H new ATOM 599 N PHE A 38 3.296 12.788 4.578 1.00 0.00 N ATOM 600 CA PHE A 38 3.747 11.804 3.601 1.00 0.00 C ATOM 601 C PHE A 38 5.202 11.418 3.848 1.00 0.00 C ATOM 602 O PHE A 38 5.610 10.288 3.578 1.00 0.00 O ATOM 603 CB PHE A 38 3.586 12.353 2.182 1.00 0.00 C ATOM 604 CG PHE A 38 3.214 11.305 1.172 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.156 10.443 1.407 1.00 0.00 C ATOM 606 CD2 PHE A 38 3.924 11.183 -0.012 1.00 0.00 C ATOM 607 CE1 PHE A 38 1.812 9.478 0.480 1.00 0.00 C ATOM 608 CE2 PHE A 38 3.584 10.219 -0.943 1.00 0.00 C ATOM 609 CZ PHE A 38 2.526 9.365 -0.697 1.00 0.00 C ATOM 0 H PHE A 38 3.159 13.725 4.200 1.00 0.00 H new ATOM 0 HA PHE A 38 3.131 10.912 3.710 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.821 13.130 2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.519 12.826 1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.593 10.526 2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.752 11.848 -0.210 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.985 8.812 0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.145 10.134 -1.862 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.258 8.611 -1.423 1.00 0.00 H new ATOM 619 N GLU A 39 5.979 12.364 4.365 1.00 0.00 N ATOM 620 CA GLU A 39 7.390 12.123 4.648 1.00 0.00 C ATOM 621 C GLU A 39 7.556 10.988 5.654 1.00 0.00 C ATOM 622 O GLU A 39 8.540 10.249 5.614 1.00 0.00 O ATOM 623 CB GLU A 39 8.048 13.396 5.185 1.00 0.00 C ATOM 624 CG GLU A 39 8.002 14.563 4.211 1.00 0.00 C ATOM 625 CD GLU A 39 9.370 15.161 3.951 1.00 0.00 C ATOM 626 OE1 GLU A 39 9.837 15.961 4.789 1.00 0.00 O ATOM 627 OE2 GLU A 39 9.974 14.831 2.909 1.00 0.00 O ATOM 0 H GLU A 39 5.656 13.304 4.596 1.00 0.00 H new ATOM 0 HA GLU A 39 7.878 11.834 3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.553 13.687 6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.088 13.181 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.571 14.227 3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.341 15.335 4.606 1.00 0.00 H new ATOM 634 N ALA A 40 6.590 10.857 6.556 1.00 0.00 N ATOM 635 CA ALA A 40 6.630 9.812 7.573 1.00 0.00 C ATOM 636 C ALA A 40 6.192 8.470 6.998 1.00 0.00 C ATOM 637 O ALA A 40 6.749 7.426 7.338 1.00 0.00 O ATOM 638 CB ALA A 40 5.752 10.193 8.755 1.00 0.00 C ATOM 0 H ALA A 40 5.770 11.461 6.604 1.00 0.00 H new ATOM 0 HA ALA A 40 7.660 9.712 7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.791 9.404 9.506 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.111 11.126 9.189 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.724 10.322 8.418 1.00 0.00 H new ATOM 644 N LEU A 41 5.191 8.502 6.124 1.00 0.00 N ATOM 645 CA LEU A 41 4.679 7.288 5.502 1.00 0.00 C ATOM 646 C LEU A 41 5.704 6.693 4.543 1.00 0.00 C ATOM 647 O LEU A 41 5.900 5.477 4.502 1.00 0.00 O ATOM 648 CB LEU A 41 3.376 7.583 4.756 1.00 0.00 C ATOM 649 CG LEU A 41 2.736 6.376 4.066 1.00 0.00 C ATOM 650 CD1 LEU A 41 2.404 5.295 5.082 1.00 0.00 C ATOM 651 CD2 LEU A 41 1.487 6.799 3.307 1.00 0.00 C ATOM 0 H LEU A 41 4.718 9.357 5.831 1.00 0.00 H new ATOM 0 HA LEU A 41 4.482 6.561 6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.658 8.002 5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.570 8.350 4.006 1.00 0.00 H new ATOM 0 HG LEU A 41 3.451 5.967 3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.950 4.445 4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.317 4.973 5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.706 5.691 5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.044 5.929 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.768 7.232 4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.753 7.539 2.552 1.00 0.00 H new ATOM 663 N LEU A 42 6.357 7.556 3.772 1.00 0.00 N ATOM 664 CA LEU A 42 7.363 7.116 2.812 1.00 0.00 C ATOM 665 C LEU A 42 8.603 6.586 3.526 1.00 0.00 C ATOM 666 O LEU A 42 9.286 5.693 3.025 1.00 0.00 O ATOM 667 CB LEU A 42 7.749 8.268 1.883 1.00 0.00 C ATOM 668 CG LEU A 42 6.681 8.664 0.862 1.00 0.00 C ATOM 669 CD1 LEU A 42 7.144 9.858 0.043 1.00 0.00 C ATOM 670 CD2 LEU A 42 6.351 7.489 -0.046 1.00 0.00 C ATOM 0 H LEU A 42 6.208 8.565 3.793 1.00 0.00 H new ATOM 0 HA LEU A 42 6.934 6.308 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.989 9.140 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.658 7.993 1.347 1.00 0.00 H new ATOM 0 HG LEU A 42 5.777 8.947 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.372 10.126 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.331 10.703 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.062 9.602 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.590 7.788 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.250 7.176 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.977 6.659 0.554 1.00 0.00 H new ATOM 682 N ALA A 43 8.889 7.143 4.698 1.00 0.00 N ATOM 683 CA ALA A 43 10.048 6.729 5.480 1.00 0.00 C ATOM 684 C ALA A 43 9.877 5.308 6.007 1.00 0.00 C ATOM 685 O ALA A 43 10.841 4.547 6.091 1.00 0.00 O ATOM 686 CB ALA A 43 10.280 7.695 6.632 1.00 0.00 C ATOM 0 H ALA A 43 8.334 7.883 5.127 1.00 0.00 H new ATOM 0 HA ALA A 43 10.920 6.744 4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.148 7.374 7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.456 8.696 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.402 7.709 7.278 1.00 0.00 H new ATOM 692 N ASP A 44 8.646 4.955 6.362 1.00 0.00 N ATOM 693 CA ASP A 44 8.352 3.625 6.882 1.00 0.00 C ATOM 694 C ASP A 44 8.200 2.617 5.747 1.00 0.00 C ATOM 695 O ASP A 44 8.588 1.456 5.877 1.00 0.00 O ATOM 696 CB ASP A 44 7.080 3.654 7.732 1.00 0.00 C ATOM 697 CG ASP A 44 7.227 2.869 9.020 1.00 0.00 C ATOM 698 OD1 ASP A 44 8.145 2.024 9.100 1.00 0.00 O ATOM 699 OD2 ASP A 44 6.425 3.098 9.950 1.00 0.00 O ATOM 0 H ASP A 44 7.836 5.572 6.299 1.00 0.00 H new ATOM 0 HA ASP A 44 9.189 3.315 7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.827 4.688 7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.251 3.246 7.154 1.00 0.00 H new ATOM 704 N LEU A 45 7.632 3.069 4.633 1.00 0.00 N ATOM 705 CA LEU A 45 7.430 2.206 3.475 1.00 0.00 C ATOM 706 C LEU A 45 8.765 1.807 2.856 1.00 0.00 C ATOM 707 O LEU A 45 8.898 0.723 2.290 1.00 0.00 O ATOM 708 CB LEU A 45 6.563 2.914 2.431 1.00 0.00 C ATOM 709 CG LEU A 45 5.058 2.872 2.700 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.363 4.045 2.026 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.470 1.553 2.222 1.00 0.00 C ATOM 0 H LEU A 45 7.304 4.027 4.508 1.00 0.00 H new ATOM 0 HA LEU A 45 6.920 1.303 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.876 3.956 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.755 2.464 1.457 1.00 0.00 H new ATOM 0 HG LEU A 45 4.896 2.951 3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.293 3.999 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.766 4.980 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.531 3.998 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.398 1.539 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.642 1.445 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.948 0.729 2.751 1.00 0.00 H new ATOM 723 N THR A 46 9.749 2.693 2.965 1.00 0.00 N ATOM 724 CA THR A 46 11.075 2.435 2.413 1.00 0.00 C ATOM 725 C THR A 46 11.863 1.479 3.304 1.00 0.00 C ATOM 726 O THR A 46 12.733 0.748 2.830 1.00 0.00 O ATOM 727 CB THR A 46 11.845 3.746 2.250 1.00 0.00 C ATOM 728 OG1 THR A 46 11.101 4.671 1.478 1.00 0.00 O ATOM 729 CG2 THR A 46 13.192 3.570 1.583 1.00 0.00 C ATOM 0 H THR A 46 9.654 3.596 3.430 1.00 0.00 H new ATOM 0 HA THR A 46 10.948 1.969 1.436 1.00 0.00 H new ATOM 0 HB THR A 46 12.005 4.115 3.263 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.345 5.004 2.005 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.685 4.538 1.498 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.809 2.899 2.181 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.053 3.146 0.589 1.00 0.00 H new ATOM 737 N ARG A 47 11.557 1.492 4.598 1.00 0.00 N ATOM 738 CA ARG A 47 12.241 0.628 5.554 1.00 0.00 C ATOM 739 C ARG A 47 11.743 -0.811 5.456 1.00 0.00 C ATOM 740 O ARG A 47 12.447 -1.748 5.834 1.00 0.00 O ATOM 741 CB ARG A 47 12.039 1.152 6.978 1.00 0.00 C ATOM 742 CG ARG A 47 13.189 0.821 7.916 1.00 0.00 C ATOM 743 CD ARG A 47 13.330 1.864 9.012 1.00 0.00 C ATOM 744 NE ARG A 47 14.409 1.539 9.941 1.00 0.00 N ATOM 745 CZ ARG A 47 14.972 2.422 10.762 1.00 0.00 C ATOM 746 NH1 ARG A 47 14.563 3.684 10.773 1.00 0.00 N ATOM 747 NH2 ARG A 47 15.949 2.042 11.575 1.00 0.00 N ATOM 0 H ARG A 47 10.840 2.091 5.008 1.00 0.00 H new ATOM 0 HA ARG A 47 13.304 0.638 5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.909 2.234 6.943 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.118 0.733 7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.024 -0.159 8.364 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.117 0.760 7.348 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.520 2.839 8.563 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.391 1.943 9.560 1.00 0.00 H new ATOM 0 HE ARG A 47 14.751 0.578 9.962 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.813 3.982 10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.999 4.356 11.405 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.268 1.073 11.571 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.381 2.719 12.204 1.00 0.00 H new ATOM 761 N THR A 48 10.524 -0.985 4.951 1.00 0.00 N ATOM 762 CA THR A 48 9.939 -2.314 4.812 1.00 0.00 C ATOM 763 C THR A 48 9.999 -2.796 3.365 1.00 0.00 C ATOM 764 O THR A 48 10.790 -3.676 3.026 1.00 0.00 O ATOM 765 CB THR A 48 8.490 -2.308 5.299 1.00 0.00 C ATOM 766 OG1 THR A 48 7.853 -1.088 4.962 1.00 0.00 O ATOM 767 CG2 THR A 48 8.362 -2.495 6.796 1.00 0.00 C ATOM 0 H THR A 48 9.924 -0.224 4.632 1.00 0.00 H new ATOM 0 HA THR A 48 10.521 -3.002 5.425 1.00 0.00 H new ATOM 0 HB THR A 48 8.014 -3.153 4.801 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.209 -0.367 5.523 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.309 -2.481 7.076 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.801 -3.451 7.082 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.884 -1.688 7.309 1.00 0.00 H new ATOM 775 N LEU A 49 9.154 -2.217 2.517 1.00 0.00 N ATOM 776 CA LEU A 49 9.105 -2.590 1.106 1.00 0.00 C ATOM 777 C LEU A 49 10.479 -2.469 0.454 1.00 0.00 C ATOM 778 O LEU A 49 11.114 -3.473 0.130 1.00 0.00 O ATOM 779 CB LEU A 49 8.098 -1.715 0.360 1.00 0.00 C ATOM 780 CG LEU A 49 6.631 -2.100 0.565 1.00 0.00 C ATOM 781 CD1 LEU A 49 5.719 -1.149 -0.197 1.00 0.00 C ATOM 782 CD2 LEU A 49 6.391 -3.537 0.127 1.00 0.00 C ATOM 0 H LEU A 49 8.493 -1.487 2.782 1.00 0.00 H new ATOM 0 HA LEU A 49 8.789 -3.632 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.234 -0.681 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.323 -1.756 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 49 6.399 -2.021 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.680 -1.438 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.872 -0.132 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.952 -1.196 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.343 -3.794 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.640 -3.642 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.018 -4.206 0.716 1.00 0.00 H new ATOM 794 N SER A 50 10.931 -1.233 0.261 1.00 0.00 N ATOM 795 CA SER A 50 12.229 -0.978 -0.357 1.00 0.00 C ATOM 796 C SER A 50 13.342 -1.721 0.375 1.00 0.00 C ATOM 797 O SER A 50 13.302 -1.873 1.596 1.00 0.00 O ATOM 798 CB SER A 50 12.526 0.522 -0.369 1.00 0.00 C ATOM 799 OG SER A 50 13.859 0.777 -0.776 1.00 0.00 O ATOM 0 H SER A 50 10.417 -0.392 0.524 1.00 0.00 H new ATOM 0 HA SER A 50 12.189 -1.344 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.834 1.027 -1.043 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.361 0.936 0.626 1.00 0.00 H new ATOM 0 HG SER A 50 13.914 0.748 -1.754 1.00 0.00 H new ATOM 805 N ASP A 51 14.335 -2.183 -0.380 1.00 0.00 N ATOM 806 CA ASP A 51 15.462 -2.909 0.197 1.00 0.00 C ATOM 807 C ASP A 51 16.766 -2.538 -0.501 1.00 0.00 C ATOM 808 O ASP A 51 17.658 -1.944 0.107 1.00 0.00 O ATOM 809 CB ASP A 51 15.231 -4.423 0.109 1.00 0.00 C ATOM 810 CG ASP A 51 14.476 -4.831 -1.144 1.00 0.00 C ATOM 811 OD1 ASP A 51 13.273 -4.511 -1.243 1.00 0.00 O ATOM 812 OD2 ASP A 51 15.090 -5.470 -2.024 1.00 0.00 O ATOM 0 H ASP A 51 14.382 -2.067 -1.392 1.00 0.00 H new ATOM 0 HA ASP A 51 15.540 -2.625 1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 51 16.193 -4.935 0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.675 -4.753 0.986 1.00 0.00 H new ATOM 817 N ASN A 52 16.873 -2.887 -1.780 1.00 0.00 N ATOM 818 CA ASN A 52 18.071 -2.586 -2.558 1.00 0.00 C ATOM 819 C ASN A 52 17.934 -3.097 -3.989 1.00 0.00 C ATOM 820 O ASN A 52 18.325 -2.419 -4.940 1.00 0.00 O ATOM 821 CB ASN A 52 19.304 -3.210 -1.901 1.00 0.00 C ATOM 822 CG ASN A 52 20.535 -2.336 -2.040 1.00 0.00 C ATOM 823 OD1 ASN A 52 20.700 -1.354 -1.317 1.00 0.00 O ATOM 824 ND2 ASN A 52 21.409 -2.692 -2.975 1.00 0.00 N ATOM 0 H ASN A 52 16.145 -3.378 -2.299 1.00 0.00 H new ATOM 0 HA ASN A 52 18.190 -1.503 -2.586 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.101 -3.383 -0.844 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.499 -4.183 -2.351 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.257 -2.143 -3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.232 -3.514 -3.552 1.00 0.00 H new ATOM 831 N VAL A 53 17.377 -4.294 -4.135 1.00 0.00 N ATOM 832 CA VAL A 53 17.191 -4.895 -5.450 1.00 0.00 C ATOM 833 C VAL A 53 16.084 -4.191 -6.227 1.00 0.00 C ATOM 834 O VAL A 53 16.321 -3.642 -7.303 1.00 0.00 O ATOM 835 CB VAL A 53 16.850 -6.393 -5.341 1.00 0.00 C ATOM 836 CG1 VAL A 53 16.859 -7.046 -6.713 1.00 0.00 C ATOM 837 CG2 VAL A 53 17.822 -7.094 -4.403 1.00 0.00 C ATOM 0 H VAL A 53 17.046 -4.867 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 53 18.135 -4.781 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 53 15.846 -6.488 -4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.616 -8.104 -6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.120 -6.562 -7.351 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.848 -6.941 -7.159 1.00 0.00 H new ATOM 0 HG21 VAL A 53 17.566 -8.152 -4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 53 18.837 -6.989 -4.786 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.760 -6.644 -3.412 1.00 0.00 H new ATOM 847 N ASN A 54 14.875 -4.212 -5.677 1.00 0.00 N ATOM 848 CA ASN A 54 13.732 -3.576 -6.319 1.00 0.00 C ATOM 849 C ASN A 54 13.910 -2.062 -6.378 1.00 0.00 C ATOM 850 O ASN A 54 14.165 -1.499 -7.443 1.00 0.00 O ATOM 851 CB ASN A 54 12.442 -3.921 -5.572 1.00 0.00 C ATOM 852 CG ASN A 54 12.157 -5.411 -5.574 1.00 0.00 C ATOM 853 OD1 ASN A 54 13.070 -6.230 -5.480 1.00 0.00 O ATOM 854 ND2 ASN A 54 10.882 -5.768 -5.680 1.00 0.00 N ATOM 0 H ASN A 54 14.662 -4.663 -4.787 1.00 0.00 H new ATOM 0 HA ASN A 54 13.666 -3.955 -7.339 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.515 -3.569 -4.543 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.606 -3.393 -6.031 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.628 -6.756 -5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.157 -5.054 -5.756 1.00 0.00 H new ATOM 861 N LEU A 55 13.775 -1.410 -5.229 1.00 0.00 N ATOM 862 CA LEU A 55 13.921 0.040 -5.151 1.00 0.00 C ATOM 863 C LEU A 55 15.077 0.423 -4.229 1.00 0.00 C ATOM 864 O LEU A 55 14.895 0.561 -3.020 1.00 0.00 O ATOM 865 CB LEU A 55 12.624 0.678 -4.649 1.00 0.00 C ATOM 866 CG LEU A 55 11.362 0.263 -5.407 1.00 0.00 C ATOM 867 CD1 LEU A 55 10.123 0.547 -4.573 1.00 0.00 C ATOM 868 CD2 LEU A 55 11.283 0.983 -6.744 1.00 0.00 C ATOM 0 H LEU A 55 13.565 -1.861 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 55 14.139 0.412 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.497 0.425 -3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.724 1.762 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 55 11.410 -0.809 -5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.234 0.246 -5.127 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.176 -0.014 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.069 1.613 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.379 0.676 -7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.257 2.060 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.156 0.730 -7.345 1.00 0.00 H new ATOM 880 N PRO A 56 16.286 0.600 -4.789 1.00 0.00 N ATOM 881 CA PRO A 56 17.470 0.969 -4.007 1.00 0.00 C ATOM 882 C PRO A 56 17.394 2.399 -3.483 1.00 0.00 C ATOM 883 O PRO A 56 17.957 2.718 -2.435 1.00 0.00 O ATOM 884 CB PRO A 56 18.618 0.824 -5.007 1.00 0.00 C ATOM 885 CG PRO A 56 17.984 1.019 -6.341 1.00 0.00 C ATOM 886 CD PRO A 56 16.595 0.455 -6.225 1.00 0.00 C ATOM 0 HA PRO A 56 17.582 0.347 -3.119 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.397 1.565 -4.826 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.088 -0.157 -4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 56 17.955 2.075 -6.609 1.00 0.00 H new ATOM 0 HG3 PRO A 56 18.549 0.508 -7.120 1.00 0.00 H new ATOM 0 HD2 PRO A 56 15.886 1.002 -6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.557 -0.587 -6.541 1.00 0.00 H new ATOM 894 N GLN A 57 16.694 3.255 -4.220 1.00 0.00 N ATOM 895 CA GLN A 57 16.543 4.653 -3.830 1.00 0.00 C ATOM 896 C GLN A 57 15.497 4.800 -2.731 1.00 0.00 C ATOM 897 O GLN A 57 15.749 5.426 -1.701 1.00 0.00 O ATOM 898 CB GLN A 57 16.150 5.502 -5.041 1.00 0.00 C ATOM 899 CG GLN A 57 17.317 5.834 -5.955 1.00 0.00 C ATOM 900 CD GLN A 57 16.881 6.108 -7.381 1.00 0.00 C ATOM 901 OE1 GLN A 57 17.022 7.222 -7.884 1.00 0.00 O ATOM 902 NE2 GLN A 57 16.346 5.087 -8.041 1.00 0.00 N ATOM 0 H GLN A 57 16.223 3.006 -5.090 1.00 0.00 H new ATOM 0 HA GLN A 57 17.501 5.003 -3.445 1.00 0.00 H new ATOM 0 HB2 GLN A 57 15.389 4.972 -5.614 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.697 6.430 -4.692 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.842 6.706 -5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 57 18.026 5.006 -5.948 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.248 4.180 -7.585 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.033 5.210 -9.004 1.00 0.00 H new ATOM 911 N GLY A 58 14.323 4.220 -2.957 1.00 0.00 N ATOM 912 CA GLY A 58 13.256 4.299 -1.977 1.00 0.00 C ATOM 913 C GLY A 58 11.920 4.649 -2.603 1.00 0.00 C ATOM 914 O GLY A 58 11.860 5.081 -3.754 1.00 0.00 O ATOM 0 H GLY A 58 14.092 3.697 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.172 3.344 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.510 5.048 -1.227 1.00 0.00 H new ATOM 918 N VAL A 59 10.845 4.464 -1.843 1.00 0.00 N ATOM 919 CA VAL A 59 9.504 4.764 -2.330 1.00 0.00 C ATOM 920 C VAL A 59 9.246 6.269 -2.336 1.00 0.00 C ATOM 921 O VAL A 59 9.570 6.968 -1.376 1.00 0.00 O ATOM 922 CB VAL A 59 8.427 4.067 -1.474 1.00 0.00 C ATOM 923 CG1 VAL A 59 8.469 4.568 -0.038 1.00 0.00 C ATOM 924 CG2 VAL A 59 7.046 4.274 -2.081 1.00 0.00 C ATOM 0 H VAL A 59 10.877 4.108 -0.888 1.00 0.00 H new ATOM 0 HA VAL A 59 9.443 4.386 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 59 8.638 2.998 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.700 4.062 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.448 4.359 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.288 5.643 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.299 3.775 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.825 5.340 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.024 3.855 -3.087 1.00 0.00 H new ATOM 934 N ARG A 60 8.662 6.759 -3.424 1.00 0.00 N ATOM 935 CA ARG A 60 8.362 8.180 -3.555 1.00 0.00 C ATOM 936 C ARG A 60 6.947 8.389 -4.085 1.00 0.00 C ATOM 937 O ARG A 60 6.184 9.191 -3.547 1.00 0.00 O ATOM 938 CB ARG A 60 9.373 8.851 -4.487 1.00 0.00 C ATOM 939 CG ARG A 60 10.592 9.402 -3.765 1.00 0.00 C ATOM 940 CD ARG A 60 11.502 10.167 -4.713 1.00 0.00 C ATOM 941 NE ARG A 60 12.585 10.845 -4.005 1.00 0.00 N ATOM 942 CZ ARG A 60 13.693 11.289 -4.593 1.00 0.00 C ATOM 943 NH1 ARG A 60 13.869 11.129 -5.899 1.00 0.00 N ATOM 944 NH2 ARG A 60 14.628 11.895 -3.874 1.00 0.00 N ATOM 0 H ARG A 60 8.387 6.194 -4.227 1.00 0.00 H new ATOM 0 HA ARG A 60 8.432 8.635 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.700 8.129 -5.236 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.879 9.663 -5.021 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.271 10.059 -2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.147 8.583 -3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.923 9.478 -5.446 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.915 10.901 -5.266 1.00 0.00 H new ATOM 0 HE ARG A 60 12.486 10.987 -3.000 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.153 10.664 -6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.720 11.471 -6.345 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.498 12.021 -2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.477 12.235 -4.325 1.00 0.00 H new ATOM 958 N THR A 61 6.604 7.661 -5.144 1.00 0.00 N ATOM 959 CA THR A 61 5.281 7.765 -5.747 1.00 0.00 C ATOM 960 C THR A 61 4.563 6.420 -5.720 1.00 0.00 C ATOM 961 O THR A 61 5.044 5.437 -6.285 1.00 0.00 O ATOM 962 CB THR A 61 5.394 8.266 -7.189 1.00 0.00 C ATOM 963 OG1 THR A 61 6.375 9.282 -7.290 1.00 0.00 O ATOM 964 CG2 THR A 61 4.097 8.825 -7.731 1.00 0.00 C ATOM 0 H THR A 61 7.225 6.993 -5.601 1.00 0.00 H new ATOM 0 HA THR A 61 4.699 8.479 -5.165 1.00 0.00 H new ATOM 0 HB THR A 61 5.668 7.391 -7.779 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.434 9.588 -8.219 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.247 9.162 -8.757 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.331 8.050 -7.712 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.778 9.666 -7.115 1.00 0.00 H new ATOM 972 N ILE A 62 3.410 6.382 -5.060 1.00 0.00 N ATOM 973 CA ILE A 62 2.627 5.158 -4.959 1.00 0.00 C ATOM 974 C ILE A 62 1.409 5.209 -5.875 1.00 0.00 C ATOM 975 O ILE A 62 0.456 5.944 -5.617 1.00 0.00 O ATOM 976 CB ILE A 62 2.160 4.905 -3.512 1.00 0.00 C ATOM 977 CG1 ILE A 62 3.342 5.001 -2.546 1.00 0.00 C ATOM 978 CG2 ILE A 62 1.488 3.545 -3.400 1.00 0.00 C ATOM 979 CD1 ILE A 62 2.974 5.579 -1.196 1.00 0.00 C ATOM 0 H ILE A 62 2.998 7.186 -4.587 1.00 0.00 H new ATOM 0 HA ILE A 62 3.277 4.340 -5.269 1.00 0.00 H new ATOM 0 HB ILE A 62 1.432 5.671 -3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.766 4.007 -2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.120 5.618 -2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.164 3.383 -2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.623 3.511 -4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.194 2.766 -3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.860 5.617 -0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.578 6.586 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.218 4.950 -0.725 1.00 0.00 H new ATOM 991 N TYR A 63 1.447 4.423 -6.946 1.00 0.00 N ATOM 992 CA TYR A 63 0.346 4.380 -7.903 1.00 0.00 C ATOM 993 C TYR A 63 -0.753 3.437 -7.426 1.00 0.00 C ATOM 994 O TYR A 63 -0.521 2.573 -6.581 1.00 0.00 O ATOM 995 CB TYR A 63 0.854 3.936 -9.275 1.00 0.00 C ATOM 996 CG TYR A 63 2.041 4.733 -9.770 1.00 0.00 C ATOM 997 CD1 TYR A 63 1.884 6.033 -10.231 1.00 0.00 C ATOM 998 CD2 TYR A 63 3.316 4.183 -9.775 1.00 0.00 C ATOM 999 CE1 TYR A 63 2.966 6.764 -10.684 1.00 0.00 C ATOM 1000 CE2 TYR A 63 4.403 4.907 -10.227 1.00 0.00 C ATOM 1001 CZ TYR A 63 4.223 6.198 -10.680 1.00 0.00 C ATOM 1002 OH TYR A 63 5.302 6.922 -11.129 1.00 0.00 O ATOM 0 H TYR A 63 2.228 3.807 -7.173 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.072 5.384 -7.984 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.129 2.882 -9.227 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.043 4.021 -9.998 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.901 6.480 -10.236 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.461 3.173 -9.420 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.827 7.774 -11.040 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.388 4.465 -10.226 1.00 0.00 H new ATOM 0 HH TYR A 63 6.114 6.377 -11.058 1.00 0.00 H new ATOM 1012 N THR A 64 -1.952 3.608 -7.975 1.00 0.00 N ATOM 1013 CA THR A 64 -3.088 2.772 -7.607 1.00 0.00 C ATOM 1014 C THR A 64 -2.880 1.335 -8.076 1.00 0.00 C ATOM 1015 O THR A 64 -1.909 1.033 -8.770 1.00 0.00 O ATOM 1016 CB THR A 64 -4.378 3.334 -8.206 1.00 0.00 C ATOM 1017 OG1 THR A 64 -4.121 3.961 -9.451 1.00 0.00 O ATOM 1018 CG2 THR A 64 -5.059 4.349 -7.314 1.00 0.00 C ATOM 0 H THR A 64 -2.161 4.318 -8.676 1.00 0.00 H new ATOM 0 HA THR A 64 -3.170 2.773 -6.520 1.00 0.00 H new ATOM 0 HB THR A 64 -5.040 2.476 -8.324 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.469 3.431 -9.956 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.967 4.708 -7.798 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.315 3.883 -6.362 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.386 5.188 -7.138 1.00 0.00 H new ATOM 1026 N ILE A 65 -3.798 0.454 -7.693 1.00 0.00 N ATOM 1027 CA ILE A 65 -3.714 -0.951 -8.074 1.00 0.00 C ATOM 1028 C ILE A 65 -4.028 -1.138 -9.555 1.00 0.00 C ATOM 1029 O ILE A 65 -3.432 -1.983 -10.224 1.00 0.00 O ATOM 1030 CB ILE A 65 -4.678 -1.817 -7.237 1.00 0.00 C ATOM 1031 CG1 ILE A 65 -4.499 -3.298 -7.579 1.00 0.00 C ATOM 1032 CG2 ILE A 65 -6.119 -1.384 -7.466 1.00 0.00 C ATOM 1033 CD1 ILE A 65 -3.196 -3.880 -7.078 1.00 0.00 C ATOM 0 H ILE A 65 -4.608 0.688 -7.119 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.691 -1.273 -7.882 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.442 -1.677 -6.182 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.328 -3.864 -7.153 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.551 -3.422 -8.661 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.785 -2.006 -6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.236 -0.341 -7.173 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.369 -1.495 -8.521 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.137 -4.932 -7.356 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.361 -3.339 -7.524 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.150 -3.788 -5.993 1.00 0.00 H new ATOM 1045 N ASP A 66 -4.966 -0.345 -10.062 1.00 0.00 N ATOM 1046 CA ASP A 66 -5.358 -0.424 -11.465 1.00 0.00 C ATOM 1047 C ASP A 66 -4.435 0.419 -12.338 1.00 0.00 C ATOM 1048 O ASP A 66 -4.055 0.009 -13.435 1.00 0.00 O ATOM 1049 CB ASP A 66 -6.806 0.039 -11.638 1.00 0.00 C ATOM 1050 CG ASP A 66 -7.800 -1.092 -11.458 1.00 0.00 C ATOM 1051 OD1 ASP A 66 -7.484 -2.050 -10.720 1.00 0.00 O ATOM 1052 OD2 ASP A 66 -8.895 -1.021 -12.056 1.00 0.00 O ATOM 0 H ASP A 66 -5.469 0.360 -9.523 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.275 -1.464 -11.781 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.021 0.827 -10.916 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.930 0.473 -12.630 1.00 0.00 H new ATOM 1057 N GLY A 67 -4.078 1.601 -11.844 1.00 0.00 N ATOM 1058 CA GLY A 67 -3.202 2.483 -12.591 1.00 0.00 C ATOM 1059 C GLY A 67 -3.950 3.635 -13.234 1.00 0.00 C ATOM 1060 O GLY A 67 -3.932 3.790 -14.455 1.00 0.00 O ATOM 0 H GLY A 67 -4.380 1.963 -10.940 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.435 2.878 -11.925 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.688 1.911 -13.364 1.00 0.00 H new ATOM 1064 N LEU A 68 -4.609 4.443 -12.410 1.00 0.00 N ATOM 1065 CA LEU A 68 -5.367 5.586 -12.906 1.00 0.00 C ATOM 1066 C LEU A 68 -4.879 6.881 -12.264 1.00 0.00 C ATOM 1067 O LEU A 68 -4.721 7.899 -12.939 1.00 0.00 O ATOM 1068 CB LEU A 68 -6.859 5.395 -12.626 1.00 0.00 C ATOM 1069 CG LEU A 68 -7.474 4.132 -13.231 1.00 0.00 C ATOM 1070 CD1 LEU A 68 -8.798 3.807 -12.555 1.00 0.00 C ATOM 1071 CD2 LEU A 68 -7.666 4.299 -14.730 1.00 0.00 C ATOM 0 H LEU A 68 -4.634 4.328 -11.397 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.212 5.654 -13.983 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.011 5.374 -11.547 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.399 6.262 -13.007 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.790 3.300 -13.063 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.221 2.906 -12.998 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.633 3.645 -11.490 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.490 4.638 -12.692 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.104 3.391 -15.144 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.330 5.142 -14.920 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.701 4.484 -15.202 1.00 0.00 H new ATOM 1083 N LYS A 69 -4.644 6.836 -10.957 1.00 0.00 N ATOM 1084 CA LYS A 69 -4.174 8.006 -10.224 1.00 0.00 C ATOM 1085 C LYS A 69 -2.980 7.652 -9.343 1.00 0.00 C ATOM 1086 O LYS A 69 -2.650 6.479 -9.170 1.00 0.00 O ATOM 1087 CB LYS A 69 -5.305 8.585 -9.368 1.00 0.00 C ATOM 1088 CG LYS A 69 -5.847 9.905 -9.890 1.00 0.00 C ATOM 1089 CD LYS A 69 -6.564 10.682 -8.798 1.00 0.00 C ATOM 1090 CE LYS A 69 -7.164 11.972 -9.335 1.00 0.00 C ATOM 1091 NZ LYS A 69 -8.283 12.461 -8.483 1.00 0.00 N ATOM 0 H LYS A 69 -4.771 6.002 -10.384 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.856 8.756 -10.948 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.119 7.862 -9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.943 8.728 -8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.028 10.505 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.534 9.717 -10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.352 10.064 -8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.865 10.912 -7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.389 12.737 -9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.525 11.809 -10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.665 13.342 -8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.034 11.742 -8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.933 12.641 -7.520 1.00 0.00 H new ATOM 1105 N LYS A 70 -2.337 8.675 -8.789 1.00 0.00 N ATOM 1106 CA LYS A 70 -1.179 8.473 -7.926 1.00 0.00 C ATOM 1107 C LYS A 70 -1.419 9.073 -6.545 1.00 0.00 C ATOM 1108 O LYS A 70 -1.904 10.199 -6.421 1.00 0.00 O ATOM 1109 CB LYS A 70 0.068 9.097 -8.555 1.00 0.00 C ATOM 1110 CG LYS A 70 -0.167 10.486 -9.126 1.00 0.00 C ATOM 1111 CD LYS A 70 1.053 11.378 -8.945 1.00 0.00 C ATOM 1112 CE LYS A 70 1.347 12.180 -10.202 1.00 0.00 C ATOM 1113 NZ LYS A 70 0.820 13.570 -10.112 1.00 0.00 N ATOM 0 H LYS A 70 -2.598 9.652 -8.922 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.023 7.400 -7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.855 9.151 -7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.430 8.444 -9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.408 10.409 -10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.028 10.941 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.888 12.057 -8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.919 10.766 -8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.424 12.210 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.905 11.679 -11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.042 14.083 -10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.211 13.542 -9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.261 14.057 -9.306 1.00 0.00 H new ATOM 1127 N ILE A 71 -1.080 8.314 -5.508 1.00 0.00 N ATOM 1128 CA ILE A 71 -1.260 8.772 -4.135 1.00 0.00 C ATOM 1129 C ILE A 71 -0.102 9.661 -3.696 1.00 0.00 C ATOM 1130 O ILE A 71 1.022 9.190 -3.516 1.00 0.00 O ATOM 1131 CB ILE A 71 -1.380 7.586 -3.158 1.00 0.00 C ATOM 1132 CG1 ILE A 71 -2.392 6.565 -3.682 1.00 0.00 C ATOM 1133 CG2 ILE A 71 -1.782 8.078 -1.776 1.00 0.00 C ATOM 1134 CD1 ILE A 71 -3.806 7.099 -3.758 1.00 0.00 C ATOM 0 H ILE A 71 -0.679 7.380 -5.592 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.186 9.347 -4.113 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.408 7.098 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.083 6.236 -4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.378 5.687 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.863 7.229 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.028 8.771 -1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.744 8.587 -1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.469 6.321 -4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.134 7.402 -2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.835 7.959 -4.427 1.00 0.00 H new ATOM 1146 N SER A 72 -0.382 10.948 -3.525 1.00 0.00 N ATOM 1147 CA SER A 72 0.636 11.904 -3.107 1.00 0.00 C ATOM 1148 C SER A 72 0.397 12.360 -1.671 1.00 0.00 C ATOM 1149 O SER A 72 1.340 12.660 -0.939 1.00 0.00 O ATOM 1150 CB SER A 72 0.645 13.114 -4.043 1.00 0.00 C ATOM 1151 OG SER A 72 1.752 13.958 -3.777 1.00 0.00 O ATOM 0 H SER A 72 -1.307 11.354 -3.670 1.00 0.00 H new ATOM 0 HA SER A 72 1.606 11.408 -3.156 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.682 12.776 -5.079 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.281 13.676 -3.924 1.00 0.00 H new ATOM 0 HG SER A 72 1.735 14.723 -4.390 1.00 0.00 H new ATOM 1157 N SER A 73 -0.870 12.409 -1.275 1.00 0.00 N ATOM 1158 CA SER A 73 -1.235 12.827 0.074 1.00 0.00 C ATOM 1159 C SER A 73 -1.793 11.655 0.874 1.00 0.00 C ATOM 1160 O SER A 73 -1.860 10.530 0.382 1.00 0.00 O ATOM 1161 CB SER A 73 -2.263 13.959 0.019 1.00 0.00 C ATOM 1162 OG SER A 73 -1.650 15.187 -0.333 1.00 0.00 O ATOM 0 H SER A 73 -1.662 12.164 -1.869 1.00 0.00 H new ATOM 0 HA SER A 73 -0.335 13.187 0.572 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.039 13.715 -0.707 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.752 14.058 0.988 1.00 0.00 H new ATOM 0 HG SER A 73 -2.328 15.894 -0.363 1.00 0.00 H new ATOM 1168 N LEU A 74 -2.193 11.929 2.113 1.00 0.00 N ATOM 1169 CA LEU A 74 -2.747 10.897 2.982 1.00 0.00 C ATOM 1170 C LEU A 74 -4.267 10.840 2.860 1.00 0.00 C ATOM 1171 O LEU A 74 -4.871 9.777 3.006 1.00 0.00 O ATOM 1172 CB LEU A 74 -2.349 11.160 4.436 1.00 0.00 C ATOM 1173 CG LEU A 74 -0.845 11.260 4.687 1.00 0.00 C ATOM 1174 CD1 LEU A 74 -0.571 11.868 6.054 1.00 0.00 C ATOM 1175 CD2 LEU A 74 -0.192 9.891 4.570 1.00 0.00 C ATOM 0 H LEU A 74 -2.144 12.856 2.536 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.340 9.935 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.819 12.087 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.753 10.361 5.058 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.413 11.912 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.505 11.931 6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.004 12.867 6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.017 11.242 6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.879 9.982 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.629 9.215 5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.357 9.493 3.569 1.00 0.00 H new ATOM 1187 N ASP A 75 -4.877 11.989 2.593 1.00 0.00 N ATOM 1188 CA ASP A 75 -6.326 12.071 2.451 1.00 0.00 C ATOM 1189 C ASP A 75 -6.795 11.337 1.198 1.00 0.00 C ATOM 1190 O ASP A 75 -7.912 10.821 1.151 1.00 0.00 O ATOM 1191 CB ASP A 75 -6.773 13.533 2.400 1.00 0.00 C ATOM 1192 CG ASP A 75 -8.043 13.777 3.189 1.00 0.00 C ATOM 1193 OD1 ASP A 75 -8.026 13.569 4.420 1.00 0.00 O ATOM 1194 OD2 ASP A 75 -9.056 14.177 2.576 1.00 0.00 O ATOM 0 H ASP A 75 -4.391 12.877 2.470 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.778 11.591 3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.978 14.167 2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.932 13.826 1.362 1.00 0.00 H new ATOM 1199 N GLN A 76 -5.934 11.295 0.185 1.00 0.00 N ATOM 1200 CA GLN A 76 -6.262 10.625 -1.068 1.00 0.00 C ATOM 1201 C GLN A 76 -6.597 9.155 -0.830 1.00 0.00 C ATOM 1202 O GLN A 76 -7.497 8.603 -1.461 1.00 0.00 O ATOM 1203 CB GLN A 76 -5.097 10.740 -2.053 1.00 0.00 C ATOM 1204 CG GLN A 76 -4.644 12.171 -2.293 1.00 0.00 C ATOM 1205 CD GLN A 76 -5.036 12.685 -3.665 1.00 0.00 C ATOM 1206 OE1 GLN A 76 -5.909 12.121 -4.326 1.00 0.00 O ATOM 1207 NE2 GLN A 76 -4.389 13.760 -4.101 1.00 0.00 N ATOM 0 H GLN A 76 -5.005 11.717 0.208 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.138 11.115 -1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.255 10.159 -1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.391 10.296 -3.004 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.076 12.818 -1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.561 12.229 -2.183 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.673 14.195 -3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.608 14.151 -5.017 1.00 0.00 H new ATOM 1216 N LEU A 77 -5.865 8.528 0.086 1.00 0.00 N ATOM 1217 CA LEU A 77 -6.085 7.123 0.409 1.00 0.00 C ATOM 1218 C LEU A 77 -7.500 6.901 0.933 1.00 0.00 C ATOM 1219 O LEU A 77 -8.192 7.849 1.302 1.00 0.00 O ATOM 1220 CB LEU A 77 -5.064 6.651 1.446 1.00 0.00 C ATOM 1221 CG LEU A 77 -3.600 6.811 1.032 1.00 0.00 C ATOM 1222 CD1 LEU A 77 -2.755 7.264 2.213 1.00 0.00 C ATOM 1223 CD2 LEU A 77 -3.062 5.507 0.460 1.00 0.00 C ATOM 0 H LEU A 77 -5.115 8.971 0.617 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.960 6.541 -0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.227 7.204 2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.251 5.600 1.665 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.545 7.576 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.717 7.372 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.125 8.222 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.817 6.523 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.019 5.639 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.133 4.723 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.648 5.224 -0.414 1.00 0.00 H new ATOM 1235 N VAL A 78 -7.923 5.641 0.964 1.00 0.00 N ATOM 1236 CA VAL A 78 -9.256 5.295 1.443 1.00 0.00 C ATOM 1237 C VAL A 78 -9.211 4.075 2.357 1.00 0.00 C ATOM 1238 O VAL A 78 -8.327 3.227 2.234 1.00 0.00 O ATOM 1239 CB VAL A 78 -10.218 5.012 0.275 1.00 0.00 C ATOM 1240 CG1 VAL A 78 -11.643 4.852 0.783 1.00 0.00 C ATOM 1241 CG2 VAL A 78 -10.136 6.120 -0.764 1.00 0.00 C ATOM 0 H VAL A 78 -7.362 4.844 0.663 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.623 6.154 2.005 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.919 4.077 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.308 4.653 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.687 4.021 1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.956 5.768 1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.823 5.903 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.408 7.070 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.119 6.182 -1.151 1.00 0.00 H new ATOM 1251 N GLU A 79 -10.170 3.993 3.273 1.00 0.00 N ATOM 1252 CA GLU A 79 -10.241 2.876 4.208 1.00 0.00 C ATOM 1253 C GLU A 79 -10.498 1.564 3.473 1.00 0.00 C ATOM 1254 O GLU A 79 -11.642 1.226 3.170 1.00 0.00 O ATOM 1255 CB GLU A 79 -11.343 3.120 5.242 1.00 0.00 C ATOM 1256 CG GLU A 79 -11.001 2.596 6.628 1.00 0.00 C ATOM 1257 CD GLU A 79 -12.235 2.330 7.469 1.00 0.00 C ATOM 1258 OE1 GLU A 79 -12.923 3.304 7.838 1.00 0.00 O ATOM 1259 OE2 GLU A 79 -12.513 1.147 7.758 1.00 0.00 O ATOM 0 H GLU A 79 -10.909 4.687 3.388 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.281 2.801 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.540 4.190 5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.263 2.646 4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.425 1.676 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.365 3.319 7.140 1.00 0.00 H new ATOM 1266 N GLY A 80 -9.427 0.829 3.192 1.00 0.00 N ATOM 1267 CA GLY A 80 -9.559 -0.436 2.496 1.00 0.00 C ATOM 1268 C GLY A 80 -9.232 -0.326 1.020 1.00 0.00 C ATOM 1269 O GLY A 80 -10.108 -0.479 0.169 1.00 0.00 O ATOM 0 H GLY A 80 -8.470 1.087 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.899 -1.171 2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.578 -0.806 2.612 1.00 0.00 H new ATOM 1273 N GLU A 81 -7.966 -0.060 0.715 1.00 0.00 N ATOM 1274 CA GLU A 81 -7.524 0.070 -0.669 1.00 0.00 C ATOM 1275 C GLU A 81 -6.124 -0.507 -0.849 1.00 0.00 C ATOM 1276 O GLU A 81 -5.440 -0.819 0.126 1.00 0.00 O ATOM 1277 CB GLU A 81 -7.541 1.539 -1.096 1.00 0.00 C ATOM 1278 CG GLU A 81 -8.934 2.069 -1.394 1.00 0.00 C ATOM 1279 CD GLU A 81 -9.575 1.385 -2.586 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -10.245 0.351 -2.387 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -9.406 1.884 -3.718 1.00 0.00 O ATOM 0 H GLU A 81 -7.228 0.070 1.407 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.213 -0.492 -1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.092 2.143 -0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.918 1.658 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.567 1.931 -0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.878 3.141 -1.582 1.00 0.00 H new ATOM 1288 N SER A 82 -5.702 -0.646 -2.102 1.00 0.00 N ATOM 1289 CA SER A 82 -4.384 -1.185 -2.410 1.00 0.00 C ATOM 1290 C SER A 82 -3.659 -0.307 -3.425 1.00 0.00 C ATOM 1291 O SER A 82 -4.278 0.251 -4.331 1.00 0.00 O ATOM 1292 CB SER A 82 -4.506 -2.612 -2.949 1.00 0.00 C ATOM 1293 OG SER A 82 -5.118 -3.466 -1.998 1.00 0.00 O ATOM 0 H SER A 82 -6.255 -0.392 -2.921 1.00 0.00 H new ATOM 0 HA SER A 82 -3.802 -1.200 -1.488 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.091 -2.608 -3.868 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.517 -2.994 -3.202 1.00 0.00 H new ATOM 0 HG SER A 82 -5.186 -4.371 -2.367 1.00 0.00 H new ATOM 1299 N TYR A 83 -2.345 -0.186 -3.265 1.00 0.00 N ATOM 1300 CA TYR A 83 -1.537 0.625 -4.167 1.00 0.00 C ATOM 1301 C TYR A 83 -0.156 0.008 -4.364 1.00 0.00 C ATOM 1302 O TYR A 83 0.259 -0.866 -3.604 1.00 0.00 O ATOM 1303 CB TYR A 83 -1.400 2.048 -3.621 1.00 0.00 C ATOM 1304 CG TYR A 83 -2.709 2.650 -3.163 1.00 0.00 C ATOM 1305 CD1 TYR A 83 -3.282 2.278 -1.954 1.00 0.00 C ATOM 1306 CD2 TYR A 83 -3.372 3.591 -3.941 1.00 0.00 C ATOM 1307 CE1 TYR A 83 -4.478 2.826 -1.532 1.00 0.00 C ATOM 1308 CE2 TYR A 83 -4.568 4.144 -3.527 1.00 0.00 C ATOM 1309 CZ TYR A 83 -5.117 3.758 -2.321 1.00 0.00 C ATOM 1310 OH TYR A 83 -6.309 4.307 -1.906 1.00 0.00 O ATOM 0 H TYR A 83 -1.818 -0.640 -2.519 1.00 0.00 H new ATOM 0 HA TYR A 83 -2.040 0.660 -5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -0.701 2.041 -2.785 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -0.968 2.684 -4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.784 1.548 -1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.945 3.895 -4.885 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -4.910 2.526 -0.589 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.071 4.874 -4.144 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.626 4.947 -2.577 1.00 0.00 H new ATOM 1320 N VAL A 84 0.552 0.472 -5.389 1.00 0.00 N ATOM 1321 CA VAL A 84 1.887 -0.033 -5.687 1.00 0.00 C ATOM 1322 C VAL A 84 2.952 1.009 -5.365 1.00 0.00 C ATOM 1323 O VAL A 84 2.867 2.155 -5.805 1.00 0.00 O ATOM 1324 CB VAL A 84 2.017 -0.441 -7.166 1.00 0.00 C ATOM 1325 CG1 VAL A 84 3.341 -1.148 -7.411 1.00 0.00 C ATOM 1326 CG2 VAL A 84 0.848 -1.323 -7.581 1.00 0.00 C ATOM 0 H VAL A 84 0.223 1.197 -6.027 1.00 0.00 H new ATOM 0 HA VAL A 84 2.039 -0.912 -5.061 1.00 0.00 H new ATOM 0 HB VAL A 84 1.996 0.462 -7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.415 -1.429 -8.462 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.163 -0.480 -7.155 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.395 -2.043 -6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.957 -1.602 -8.629 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.835 -2.223 -6.966 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.086 -0.777 -7.446 1.00 0.00 H new ATOM 1336 N CYS A 85 3.955 0.603 -4.593 1.00 0.00 N ATOM 1337 CA CYS A 85 5.038 1.502 -4.211 1.00 0.00 C ATOM 1338 C CYS A 85 6.102 1.565 -5.302 1.00 0.00 C ATOM 1339 O CYS A 85 6.776 0.574 -5.584 1.00 0.00 O ATOM 1340 CB CYS A 85 5.666 1.047 -2.893 1.00 0.00 C ATOM 1341 SG CYS A 85 4.946 1.819 -1.426 1.00 0.00 S ATOM 0 H CYS A 85 4.040 -0.342 -4.220 1.00 0.00 H new ATOM 0 HA CYS A 85 4.620 2.500 -4.079 1.00 0.00 H new ATOM 0 HB2 CYS A 85 5.563 -0.035 -2.808 1.00 0.00 H new ATOM 0 HB3 CYS A 85 6.734 1.265 -2.918 1.00 0.00 H new ATOM 0 HG CYS A 85 3.651 1.718 -1.474 1.00 0.00 H new ATOM 1347 N GLY A 86 6.248 2.736 -5.912 1.00 0.00 N ATOM 1348 CA GLY A 86 7.232 2.908 -6.964 1.00 0.00 C ATOM 1349 C GLY A 86 8.032 4.186 -6.807 1.00 0.00 C ATOM 1350 O GLY A 86 7.818 4.948 -5.864 1.00 0.00 O ATOM 0 H GLY A 86 5.702 3.570 -5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.911 2.056 -6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.728 2.915 -7.931 1.00 0.00 H new ATOM 1354 N SER A 87 8.958 4.421 -7.732 1.00 0.00 N ATOM 1355 CA SER A 87 9.792 5.616 -7.691 1.00 0.00 C ATOM 1356 C SER A 87 10.334 5.948 -9.078 1.00 0.00 C ATOM 1357 O SER A 87 9.950 6.950 -9.683 1.00 0.00 O ATOM 1358 CB SER A 87 10.951 5.422 -6.711 1.00 0.00 C ATOM 1359 OG SER A 87 11.224 6.618 -6.001 1.00 0.00 O ATOM 0 H SER A 87 9.149 3.800 -8.518 1.00 0.00 H new ATOM 0 HA SER A 87 9.175 6.448 -7.352 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.707 4.625 -6.008 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.842 5.106 -7.254 1.00 0.00 H new ATOM 0 HG SER A 87 11.514 6.399 -5.091 1.00 0.00 H new ATOM 1365 N ILE A 88 11.229 5.102 -9.577 1.00 0.00 N ATOM 1366 CA ILE A 88 11.824 5.305 -10.892 1.00 0.00 C ATOM 1367 C ILE A 88 11.307 4.279 -11.895 1.00 0.00 C ATOM 1368 O ILE A 88 11.242 4.547 -13.095 1.00 0.00 O ATOM 1369 CB ILE A 88 13.361 5.219 -10.834 1.00 0.00 C ATOM 1370 CG1 ILE A 88 13.797 3.915 -10.163 1.00 0.00 C ATOM 1371 CG2 ILE A 88 13.932 6.419 -10.094 1.00 0.00 C ATOM 1372 CD1 ILE A 88 15.004 3.276 -10.815 1.00 0.00 C ATOM 0 H ILE A 88 11.558 4.269 -9.090 1.00 0.00 H new ATOM 0 HA ILE A 88 11.535 6.305 -11.217 1.00 0.00 H new ATOM 0 HB ILE A 88 13.748 5.228 -11.853 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.022 4.112 -9.115 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.966 3.209 -10.184 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.019 6.343 -10.062 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.647 7.335 -10.612 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.539 6.440 -9.077 1.00 0.00 H new ATOM 0 HD11 ILE A 88 15.258 2.356 -10.288 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.777 3.047 -11.856 1.00 0.00 H new ATOM 0 HD13 ILE A 88 15.848 3.964 -10.771 1.00 0.00 H new ATOM 1384 N GLU A 89 10.941 3.102 -11.397 1.00 0.00 N ATOM 1385 CA GLU A 89 10.431 2.036 -12.252 1.00 0.00 C ATOM 1386 C GLU A 89 8.996 2.329 -12.689 1.00 0.00 C ATOM 1387 O GLU A 89 8.179 2.789 -11.892 1.00 0.00 O ATOM 1388 CB GLU A 89 10.488 0.696 -11.515 1.00 0.00 C ATOM 1389 CG GLU A 89 9.995 -0.478 -12.344 1.00 0.00 C ATOM 1390 CD GLU A 89 11.098 -1.113 -13.168 1.00 0.00 C ATOM 1391 OE1 GLU A 89 11.903 -0.364 -13.760 1.00 0.00 O ATOM 1392 OE2 GLU A 89 11.156 -2.360 -13.223 1.00 0.00 O ATOM 0 H GLU A 89 10.988 2.863 -10.407 1.00 0.00 H new ATOM 0 HA GLU A 89 11.059 1.983 -13.141 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.516 0.505 -11.206 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.889 0.765 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.562 -1.229 -11.683 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.199 -0.141 -13.008 1.00 0.00 H new ATOM 1399 N PRO A 90 8.668 2.067 -13.968 1.00 0.00 N ATOM 1400 CA PRO A 90 7.323 2.308 -14.501 1.00 0.00 C ATOM 1401 C PRO A 90 6.290 1.347 -13.921 1.00 0.00 C ATOM 1402 O PRO A 90 6.639 0.373 -13.254 1.00 0.00 O ATOM 1403 CB PRO A 90 7.486 2.072 -16.004 1.00 0.00 C ATOM 1404 CG PRO A 90 8.651 1.152 -16.118 1.00 0.00 C ATOM 1405 CD PRO A 90 9.577 1.517 -14.991 1.00 0.00 C ATOM 0 HA PRO A 90 6.959 3.304 -14.250 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.588 1.629 -16.435 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.666 3.007 -16.534 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.336 0.111 -16.043 1.00 0.00 H new ATOM 0 HG3 PRO A 90 9.146 1.266 -17.082 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.121 0.648 -14.620 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.321 2.250 -15.303 1.00 0.00 H new ATOM 1413 N PHE A 91 5.017 1.628 -14.179 1.00 0.00 N ATOM 1414 CA PHE A 91 3.933 0.788 -13.683 1.00 0.00 C ATOM 1415 C PHE A 91 3.917 -0.558 -14.398 1.00 0.00 C ATOM 1416 O PHE A 91 4.194 -0.642 -15.595 1.00 0.00 O ATOM 1417 CB PHE A 91 2.588 1.494 -13.869 1.00 0.00 C ATOM 1418 CG PHE A 91 1.476 0.890 -13.060 1.00 0.00 C ATOM 1419 CD1 PHE A 91 0.705 -0.138 -13.576 1.00 0.00 C ATOM 1420 CD2 PHE A 91 1.203 1.351 -11.782 1.00 0.00 C ATOM 1421 CE1 PHE A 91 -0.319 -0.696 -12.834 1.00 0.00 C ATOM 1422 CE2 PHE A 91 0.180 0.797 -11.034 1.00 0.00 C ATOM 1423 CZ PHE A 91 -0.582 -0.228 -11.562 1.00 0.00 C ATOM 0 H PHE A 91 4.711 2.431 -14.729 1.00 0.00 H new ATOM 0 HA PHE A 91 4.100 0.612 -12.620 1.00 0.00 H new ATOM 0 HB2 PHE A 91 2.697 2.543 -13.595 1.00 0.00 H new ATOM 0 HB3 PHE A 91 2.315 1.466 -14.924 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.906 -0.508 -14.570 1.00 0.00 H new ATOM 0 HD2 PHE A 91 1.796 2.152 -11.365 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.913 -1.497 -13.249 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.023 1.165 -10.039 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.382 -0.662 -10.981 1.00 0.00 H new ATOM 1433 N LYS A 92 3.591 -1.612 -13.656 1.00 0.00 N ATOM 1434 CA LYS A 92 3.539 -2.956 -14.219 1.00 0.00 C ATOM 1435 C LYS A 92 2.245 -3.662 -13.827 1.00 0.00 C ATOM 1436 O LYS A 92 1.879 -3.703 -12.652 1.00 0.00 O ATOM 1437 CB LYS A 92 4.742 -3.775 -13.748 1.00 0.00 C ATOM 1438 CG LYS A 92 6.023 -3.466 -14.503 1.00 0.00 C ATOM 1439 CD LYS A 92 7.251 -3.898 -13.718 1.00 0.00 C ATOM 1440 CE LYS A 92 8.452 -3.016 -14.024 1.00 0.00 C ATOM 1441 NZ LYS A 92 9.546 -3.780 -14.685 1.00 0.00 N ATOM 0 H LYS A 92 3.359 -1.561 -12.664 1.00 0.00 H new ATOM 0 HA LYS A 92 3.569 -2.869 -15.305 1.00 0.00 H new ATOM 0 HB2 LYS A 92 4.903 -3.590 -12.686 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.514 -4.835 -13.856 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.009 -3.974 -15.467 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.078 -2.397 -14.706 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.033 -3.859 -12.651 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.490 -4.934 -13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.143 -2.193 -14.668 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.824 -2.575 -13.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.464 -3.360 -14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.519 -4.770 -14.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.420 -3.744 -15.717 1.00 0.00 H new ATOM 1455 N LYS A 93 1.555 -4.215 -14.819 1.00 0.00 N ATOM 1456 CA LYS A 93 0.300 -4.919 -14.577 1.00 0.00 C ATOM 1457 C LYS A 93 0.559 -6.333 -14.064 1.00 0.00 C ATOM 1458 O LYS A 93 0.945 -7.219 -14.826 1.00 0.00 O ATOM 1459 CB LYS A 93 -0.534 -4.971 -15.858 1.00 0.00 C ATOM 1460 CG LYS A 93 -2.007 -4.666 -15.639 1.00 0.00 C ATOM 1461 CD LYS A 93 -2.737 -4.463 -16.956 1.00 0.00 C ATOM 1462 CE LYS A 93 -3.185 -5.787 -17.554 1.00 0.00 C ATOM 1463 NZ LYS A 93 -3.143 -5.764 -19.042 1.00 0.00 N ATOM 0 H LYS A 93 1.843 -4.190 -15.797 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.254 -4.372 -13.814 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.127 -4.259 -16.576 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.439 -5.961 -16.303 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.471 -5.484 -15.087 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.107 -3.771 -15.025 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.604 -3.822 -16.798 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.084 -3.947 -17.660 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.544 -6.588 -17.185 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.199 -6.011 -17.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.455 -6.684 -19.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.774 -5.016 -19.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.171 -5.575 -19.359 1.00 0.00 H new ATOM 1477 N LEU A 94 0.344 -6.535 -12.768 1.00 0.00 N ATOM 1478 CA LEU A 94 0.554 -7.841 -12.153 1.00 0.00 C ATOM 1479 C LEU A 94 -0.611 -8.202 -11.238 1.00 0.00 C ATOM 1480 O LEU A 94 -1.290 -7.325 -10.706 1.00 0.00 O ATOM 1481 CB LEU A 94 1.863 -7.850 -11.361 1.00 0.00 C ATOM 1482 CG LEU A 94 3.135 -7.782 -12.209 1.00 0.00 C ATOM 1483 CD1 LEU A 94 4.317 -7.339 -11.361 1.00 0.00 C ATOM 1484 CD2 LEU A 94 3.416 -9.129 -12.856 1.00 0.00 C ATOM 0 H LEU A 94 0.025 -5.812 -12.124 1.00 0.00 H new ATOM 0 HA LEU A 94 0.614 -8.585 -12.947 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.859 -7.005 -10.672 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.897 -8.755 -10.755 1.00 0.00 H new ATOM 0 HG LEU A 94 2.984 -7.046 -12.999 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.213 -7.296 -11.980 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.116 -6.352 -10.944 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.470 -8.051 -10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.324 -9.062 -13.455 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.547 -9.884 -12.081 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.579 -9.407 -13.496 1.00 0.00 H new ATOM 1496 N GLU A 95 -0.836 -9.500 -11.059 1.00 0.00 N ATOM 1497 CA GLU A 95 -1.919 -9.978 -10.207 1.00 0.00 C ATOM 1498 C GLU A 95 -1.473 -10.051 -8.750 1.00 0.00 C ATOM 1499 O GLU A 95 -0.954 -11.073 -8.300 1.00 0.00 O ATOM 1500 CB GLU A 95 -2.397 -11.353 -10.675 1.00 0.00 C ATOM 1501 CG GLU A 95 -3.276 -11.302 -11.914 1.00 0.00 C ATOM 1502 CD GLU A 95 -2.484 -11.041 -13.180 1.00 0.00 C ATOM 1503 OE1 GLU A 95 -1.866 -11.994 -13.701 1.00 0.00 O ATOM 1504 OE2 GLU A 95 -2.479 -9.883 -13.650 1.00 0.00 O ATOM 0 H GLU A 95 -0.283 -10.239 -11.493 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.745 -9.270 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.529 -11.979 -10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.950 -11.831 -9.866 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.813 -12.246 -12.013 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.026 -10.520 -11.791 1.00 0.00 H new ATOM 1511 N TYR A 96 -1.678 -8.961 -8.018 1.00 0.00 N ATOM 1512 CA TYR A 96 -1.297 -8.901 -6.611 1.00 0.00 C ATOM 1513 C TYR A 96 -2.411 -9.445 -5.723 1.00 0.00 C ATOM 1514 O TYR A 96 -2.150 -10.139 -4.740 1.00 0.00 O ATOM 1515 CB TYR A 96 -0.966 -7.462 -6.213 1.00 0.00 C ATOM 1516 CG TYR A 96 0.197 -6.874 -6.979 1.00 0.00 C ATOM 1517 CD1 TYR A 96 1.503 -7.262 -6.704 1.00 0.00 C ATOM 1518 CD2 TYR A 96 -0.010 -5.930 -7.977 1.00 0.00 C ATOM 1519 CE1 TYR A 96 2.568 -6.726 -7.402 1.00 0.00 C ATOM 1520 CE2 TYR A 96 1.050 -5.391 -8.679 1.00 0.00 C ATOM 1521 CZ TYR A 96 2.336 -5.792 -8.388 1.00 0.00 C ATOM 1522 OH TYR A 96 3.395 -5.256 -9.086 1.00 0.00 O ATOM 0 H TYR A 96 -2.106 -8.107 -8.376 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.412 -9.521 -6.472 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -1.846 -6.839 -6.371 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -0.741 -7.431 -5.147 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.688 -7.994 -5.932 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.016 -5.613 -8.208 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.577 -7.037 -7.176 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.872 -4.659 -9.453 1.00 0.00 H new ATOM 0 HH TYR A 96 4.150 -5.114 -8.477 1.00 0.00 H new ATOM 1532 N THR A 97 -3.651 -9.124 -6.073 1.00 0.00 N ATOM 1533 CA THR A 97 -4.805 -9.580 -5.306 1.00 0.00 C ATOM 1534 C THR A 97 -4.856 -11.104 -5.250 1.00 0.00 C ATOM 1535 O THR A 97 -5.360 -11.682 -4.286 1.00 0.00 O ATOM 1536 CB THR A 97 -6.097 -9.038 -5.920 1.00 0.00 C ATOM 1537 OG1 THR A 97 -6.195 -9.401 -7.286 1.00 0.00 O ATOM 1538 CG2 THR A 97 -6.214 -7.532 -5.835 1.00 0.00 C ATOM 0 H THR A 97 -3.884 -8.550 -6.883 1.00 0.00 H new ATOM 0 HA THR A 97 -4.706 -9.201 -4.289 1.00 0.00 H new ATOM 0 HB THR A 97 -6.903 -9.482 -5.335 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.029 -9.046 -7.660 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.153 -7.214 -6.288 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.193 -7.224 -4.790 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.380 -7.072 -6.366 1.00 0.00 H new ATOM 1546 N LYS A 98 -4.333 -11.749 -6.287 1.00 0.00 N ATOM 1547 CA LYS A 98 -4.318 -13.206 -6.354 1.00 0.00 C ATOM 1548 C LYS A 98 -3.568 -13.800 -5.166 1.00 0.00 C ATOM 1549 O LYS A 98 -3.920 -14.871 -4.670 1.00 0.00 O ATOM 1550 CB LYS A 98 -3.675 -13.671 -7.662 1.00 0.00 C ATOM 1551 CG LYS A 98 -4.295 -14.939 -8.228 1.00 0.00 C ATOM 1552 CD LYS A 98 -3.235 -15.971 -8.583 1.00 0.00 C ATOM 1553 CE LYS A 98 -3.565 -16.683 -9.886 1.00 0.00 C ATOM 1554 NZ LYS A 98 -3.289 -18.144 -9.806 1.00 0.00 N ATOM 0 H LYS A 98 -3.914 -11.286 -7.093 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.350 -13.556 -6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.758 -12.874 -8.401 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.611 -13.840 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.987 -15.363 -7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.878 -14.695 -9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.265 -15.482 -8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.153 -16.702 -7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.615 -16.525 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.980 -16.247 -10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.527 -18.592 -10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.281 -18.296 -9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.866 -18.565 -9.050 1.00 0.00 H new ATOM 1568 N ASN A 99 -2.534 -13.099 -4.714 1.00 0.00 N ATOM 1569 CA ASN A 99 -1.735 -13.558 -3.584 1.00 0.00 C ATOM 1570 C ASN A 99 -2.148 -12.848 -2.300 1.00 0.00 C ATOM 1571 O ASN A 99 -1.327 -12.621 -1.411 1.00 0.00 O ATOM 1572 CB ASN A 99 -0.248 -13.320 -3.855 1.00 0.00 C ATOM 1573 CG ASN A 99 0.208 -13.936 -5.164 1.00 0.00 C ATOM 1574 OD1 ASN A 99 0.371 -15.152 -5.268 1.00 0.00 O ATOM 1575 ND2 ASN A 99 0.415 -13.098 -6.172 1.00 0.00 N ATOM 0 H ASN A 99 -2.230 -12.211 -5.113 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.910 -14.627 -3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.052 -12.248 -3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.339 -13.737 -3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.721 -13.455 -7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.268 -12.097 -6.042 1.00 0.00 H new ATOM 1582 N VAL A 100 -3.428 -12.501 -2.208 1.00 0.00 N ATOM 1583 CA VAL A 100 -3.952 -11.817 -1.031 1.00 0.00 C ATOM 1584 C VAL A 100 -5.433 -12.126 -0.832 1.00 0.00 C ATOM 1585 O VAL A 100 -6.276 -11.707 -1.626 1.00 0.00 O ATOM 1586 CB VAL A 100 -3.767 -10.293 -1.138 1.00 0.00 C ATOM 1587 CG1 VAL A 100 -4.143 -9.615 0.171 1.00 0.00 C ATOM 1588 CG2 VAL A 100 -2.337 -9.955 -1.530 1.00 0.00 C ATOM 0 H VAL A 100 -4.121 -12.682 -2.934 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.388 -12.184 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.431 -9.919 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.006 -8.538 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.186 -9.828 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.507 -9.992 0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.225 -8.873 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.652 -10.342 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.108 -10.407 -2.495 1.00 0.00 H new ATOM 1598 N ASN A 101 -5.741 -12.860 0.231 1.00 0.00 N ATOM 1599 CA ASN A 101 -7.120 -13.226 0.533 1.00 0.00 C ATOM 1600 C ASN A 101 -7.900 -12.019 1.056 1.00 0.00 C ATOM 1601 O ASN A 101 -7.617 -11.513 2.141 1.00 0.00 O ATOM 1602 CB ASN A 101 -7.154 -14.357 1.564 1.00 0.00 C ATOM 1603 CG ASN A 101 -7.918 -15.569 1.069 1.00 0.00 C ATOM 1604 OD1 ASN A 101 -7.337 -16.493 0.499 1.00 0.00 O ATOM 1605 ND2 ASN A 101 -9.228 -15.571 1.282 1.00 0.00 N ATOM 0 H ASN A 101 -5.055 -13.213 0.898 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.591 -13.569 -0.388 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -6.134 -14.650 1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -7.612 -13.993 2.483 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -9.794 -16.360 0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -9.668 -14.784 1.759 1.00 0.00 H new ATOM 1612 N PRO A 102 -8.897 -11.538 0.289 1.00 0.00 N ATOM 1613 CA PRO A 102 -9.713 -10.385 0.690 1.00 0.00 C ATOM 1614 C PRO A 102 -10.330 -10.563 2.073 1.00 0.00 C ATOM 1615 O PRO A 102 -11.448 -11.061 2.204 1.00 0.00 O ATOM 1616 CB PRO A 102 -10.806 -10.329 -0.380 1.00 0.00 C ATOM 1617 CG PRO A 102 -10.213 -11.004 -1.567 1.00 0.00 C ATOM 1618 CD PRO A 102 -9.310 -12.075 -1.022 1.00 0.00 C ATOM 0 HA PRO A 102 -9.120 -9.473 0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.711 -10.837 -0.047 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.084 -9.300 -0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.989 -11.433 -2.201 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.655 -10.297 -2.180 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.831 -13.027 -0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.453 -12.248 -1.673 1.00 0.00 H new ATOM 1626 N ASN A 103 -9.595 -10.151 3.101 1.00 0.00 N ATOM 1627 CA ASN A 103 -10.072 -10.264 4.475 1.00 0.00 C ATOM 1628 C ASN A 103 -9.074 -9.645 5.449 1.00 0.00 C ATOM 1629 O ASN A 103 -8.742 -10.238 6.476 1.00 0.00 O ATOM 1630 CB ASN A 103 -10.312 -11.733 4.834 1.00 0.00 C ATOM 1631 CG ASN A 103 -11.181 -11.891 6.067 1.00 0.00 C ATOM 1632 OD1 ASN A 103 -12.397 -11.709 6.012 1.00 0.00 O ATOM 1633 ND2 ASN A 103 -10.557 -12.231 7.190 1.00 0.00 N ATOM 0 H ASN A 103 -8.668 -9.736 3.009 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.013 -9.720 4.554 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.785 -12.238 3.992 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.354 -12.225 5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.088 -12.351 8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -9.547 -12.372 7.190 1.00 0.00 H new ATOM 1640 N TRP A 104 -8.600 -8.448 5.120 1.00 0.00 N ATOM 1641 CA TRP A 104 -7.641 -7.747 5.966 1.00 0.00 C ATOM 1642 C TRP A 104 -8.250 -6.472 6.539 1.00 0.00 C ATOM 1643 O TRP A 104 -8.094 -6.175 7.724 1.00 0.00 O ATOM 1644 CB TRP A 104 -6.377 -7.409 5.170 1.00 0.00 C ATOM 1645 CG TRP A 104 -6.662 -6.743 3.859 1.00 0.00 C ATOM 1646 CD1 TRP A 104 -7.096 -7.342 2.712 1.00 0.00 C ATOM 1647 CD2 TRP A 104 -6.532 -5.348 3.559 1.00 0.00 C ATOM 1648 NE1 TRP A 104 -7.243 -6.405 1.717 1.00 0.00 N ATOM 1649 CE2 TRP A 104 -6.904 -5.174 2.212 1.00 0.00 C ATOM 1650 CE3 TRP A 104 -6.138 -4.229 4.299 1.00 0.00 C ATOM 1651 CZ2 TRP A 104 -6.893 -3.927 1.592 1.00 0.00 C ATOM 1652 CZ3 TRP A 104 -6.128 -2.993 3.682 1.00 0.00 C ATOM 1653 CH2 TRP A 104 -6.503 -2.850 2.340 1.00 0.00 C ATOM 0 H TRP A 104 -8.864 -7.943 4.274 1.00 0.00 H new ATOM 0 HA TRP A 104 -7.376 -8.405 6.793 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -5.742 -6.757 5.770 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -5.814 -8.325 4.989 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.295 -8.398 2.602 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -7.554 -6.596 0.765 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -5.847 -4.329 5.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.182 -3.814 0.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -5.826 -2.122 4.244 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -6.484 -1.870 1.887 1.00 0.00 H new ATOM 1664 N SER A 105 -8.946 -5.721 5.691 1.00 0.00 N ATOM 1665 CA SER A 105 -9.581 -4.478 6.113 1.00 0.00 C ATOM 1666 C SER A 105 -11.091 -4.655 6.241 1.00 0.00 C ATOM 1667 O SER A 105 -11.862 -3.750 5.921 1.00 0.00 O ATOM 1668 CB SER A 105 -9.269 -3.358 5.119 1.00 0.00 C ATOM 1669 OG SER A 105 -9.994 -2.181 5.432 1.00 0.00 O ATOM 0 H SER A 105 -9.084 -5.952 4.707 1.00 0.00 H new ATOM 0 HA SER A 105 -9.181 -4.208 7.090 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.200 -3.144 5.131 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.518 -3.684 4.109 1.00 0.00 H new ATOM 0 HG SER A 105 -10.953 -2.384 5.456 1.00 0.00 H new