USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.875) USER MOD Single : A 13 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.6) USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0358) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.5) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -18.6! C(o=-19!,f=-23!) USER MOD Single : A 33 LYS NZ :NH3+ -142:sc= -0.0763 (180deg=-0.636) USER MOD Single : A 37 SER OG : rot -157:sc= -1.39! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= -0.0994 (180deg=-0.688) USER MOD Single : A 49 GLN : amide:sc= -3.36! C(o=-3.4!,f=-5.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -123:sc= 0.787 USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.127 (180deg=-0.499) USER MOD Single : A 58 ASN : amide:sc= -2.2 K(o=-2.2,f=-4.9!) USER MOD Single : A 61 THR OG1 : rot 83:sc= 1.27 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0374 X(o=-0.037,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.460 -6.326 1.535 1.00 0.00 N ATOM 121 CA LEU A 9 -8.877 -5.218 2.273 1.00 0.00 C ATOM 122 C LEU A 9 -8.499 -4.104 1.317 1.00 0.00 C ATOM 123 O LEU A 9 -7.999 -4.358 0.223 1.00 0.00 O ATOM 124 CB LEU A 9 -7.651 -5.680 3.059 1.00 0.00 C ATOM 125 CG LEU A 9 -7.904 -6.825 4.042 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.593 -7.470 4.461 1.00 0.00 C ATOM 127 CD2 LEU A 9 -8.667 -6.322 5.260 1.00 0.00 C ATOM 0 HA LEU A 9 -9.616 -4.843 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.882 -5.992 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.251 -4.830 3.611 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.512 -7.580 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.794 -8.282 5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.085 -7.866 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.959 -6.726 4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.839 -7.149 5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.085 -5.548 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.625 -5.908 4.944 1.00 0.00 H new ATOM 139 N TYR A 10 -8.727 -2.869 1.733 1.00 0.00 N ATOM 140 CA TYR A 10 -8.399 -1.729 0.902 1.00 0.00 C ATOM 141 C TYR A 10 -7.100 -1.099 1.373 1.00 0.00 C ATOM 142 O TYR A 10 -7.053 -0.439 2.412 1.00 0.00 O ATOM 143 CB TYR A 10 -9.535 -0.709 0.924 1.00 0.00 C ATOM 144 CG TYR A 10 -10.889 -1.324 0.644 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.235 -1.727 -0.637 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.818 -1.501 1.659 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.470 -2.290 -0.901 1.00 0.00 C ATOM 148 CE2 TYR A 10 -13.054 -2.066 1.404 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.375 -2.458 0.123 1.00 0.00 C ATOM 150 OH TYR A 10 -14.605 -3.019 -0.135 1.00 0.00 O ATOM 0 H TYR A 10 -9.136 -2.634 2.637 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.267 -2.067 -0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.559 -0.221 1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.334 0.066 0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.527 -1.599 -1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.572 -1.193 2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.723 -2.596 -1.905 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.765 -2.199 2.206 1.00 0.00 H new ATOM 0 HH TYR A 10 -15.123 -3.067 0.695 1.00 0.00 H new ATOM 160 N LYS A 11 -6.050 -1.305 0.595 1.00 0.00 N ATOM 161 CA LYS A 11 -4.740 -0.751 0.920 1.00 0.00 C ATOM 162 C LYS A 11 -4.177 0.016 -0.269 1.00 0.00 C ATOM 163 O LYS A 11 -4.546 -0.252 -1.414 1.00 0.00 O ATOM 164 CB LYS A 11 -3.776 -1.867 1.326 1.00 0.00 C ATOM 165 CG LYS A 11 -4.394 -2.893 2.263 1.00 0.00 C ATOM 166 CD LYS A 11 -3.466 -4.077 2.486 1.00 0.00 C ATOM 167 CE LYS A 11 -4.196 -5.249 3.120 1.00 0.00 C ATOM 168 NZ LYS A 11 -4.028 -6.502 2.332 1.00 0.00 N ATOM 0 H LYS A 11 -6.076 -1.851 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.856 -0.063 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.421 -2.374 0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.904 -1.425 1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.621 -2.423 3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.339 -3.244 1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.036 -4.388 1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.637 -3.775 3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.823 -5.404 4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.257 -5.013 3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.066 -7.322 2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.791 -6.575 1.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.109 -6.485 1.845 1.00 0.00 H new ATOM 182 N VAL A 12 -3.286 0.968 -0.006 1.00 0.00 N ATOM 183 CA VAL A 12 -2.694 1.751 -1.087 1.00 0.00 C ATOM 184 C VAL A 12 -1.231 1.360 -1.287 1.00 0.00 C ATOM 185 O VAL A 12 -0.503 1.160 -0.323 1.00 0.00 O ATOM 186 CB VAL A 12 -2.797 3.282 -0.843 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.207 3.999 -2.113 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.784 3.629 0.264 1.00 0.00 C ATOM 0 H VAL A 12 -2.962 1.213 0.930 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.265 1.524 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.806 3.612 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.273 5.070 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.465 3.815 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.178 3.629 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.819 4.711 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.775 3.264 -0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.465 3.161 1.195 1.00 0.00 H new ATOM 198 N GLN A 13 -0.812 1.236 -2.543 1.00 0.00 N ATOM 199 CA GLN A 13 0.565 0.854 -2.860 1.00 0.00 C ATOM 200 C GLN A 13 1.183 1.826 -3.858 1.00 0.00 C ATOM 201 O GLN A 13 0.541 2.214 -4.833 1.00 0.00 O ATOM 202 CB GLN A 13 0.607 -0.569 -3.422 1.00 0.00 C ATOM 203 CG GLN A 13 2.012 -1.067 -3.717 1.00 0.00 C ATOM 204 CD GLN A 13 2.047 -2.539 -4.071 1.00 0.00 C ATOM 205 OE1 GLN A 13 1.044 -3.243 -3.951 1.00 0.00 O ATOM 206 NE2 GLN A 13 3.206 -3.015 -4.510 1.00 0.00 N ATOM 0 H GLN A 13 -1.404 1.394 -3.359 1.00 0.00 H new ATOM 0 HA GLN A 13 1.146 0.889 -1.938 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.133 -1.245 -2.711 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.018 -0.606 -4.338 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.433 -0.489 -4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.646 -0.891 -2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.012 -2.396 -4.594 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.290 -4.000 -4.763 1.00 0.00 H new ATOM 215 N ILE A 14 2.423 2.238 -3.601 1.00 0.00 N ATOM 216 CA ILE A 14 3.093 3.189 -4.481 1.00 0.00 C ATOM 217 C ILE A 14 4.207 2.562 -5.322 1.00 0.00 C ATOM 218 O ILE A 14 4.769 3.238 -6.185 1.00 0.00 O ATOM 219 CB ILE A 14 3.668 4.384 -3.701 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.661 3.897 -2.638 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.543 5.203 -3.082 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.166 4.026 -1.215 1.00 0.00 C ATOM 0 H ILE A 14 2.977 1.932 -2.801 1.00 0.00 H new ATOM 0 HA ILE A 14 2.314 3.535 -5.161 1.00 0.00 H new ATOM 0 HB ILE A 14 4.209 5.032 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.900 2.852 -2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.589 4.460 -2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.965 6.045 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.888 5.575 -3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.970 4.576 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.930 3.659 -0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.955 5.073 -0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.256 3.439 -1.092 1.00 0.00 H new ATOM 234 N GLY A 15 4.520 1.280 -5.114 1.00 0.00 N ATOM 235 CA GLY A 15 5.558 0.672 -5.938 1.00 0.00 C ATOM 236 C GLY A 15 6.216 -0.561 -5.346 1.00 0.00 C ATOM 237 O GLY A 15 5.958 -0.941 -4.204 1.00 0.00 O ATOM 0 H GLY A 15 4.092 0.671 -4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.124 0.405 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.329 1.418 -6.131 1.00 0.00 H new ATOM 241 N ALA A 16 7.104 -1.157 -6.144 1.00 0.00 N ATOM 242 CA ALA A 16 7.877 -2.331 -5.751 1.00 0.00 C ATOM 243 C ALA A 16 9.208 -2.335 -6.507 1.00 0.00 C ATOM 244 O ALA A 16 9.262 -1.917 -7.665 1.00 0.00 O ATOM 245 CB ALA A 16 7.093 -3.617 -6.003 1.00 0.00 C ATOM 0 H ALA A 16 7.307 -0.833 -7.090 1.00 0.00 H new ATOM 0 HA ALA A 16 8.077 -2.284 -4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.694 -4.475 -5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.169 -3.599 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.855 -3.696 -7.064 1.00 0.00 H new ATOM 251 N PHE A 17 10.283 -2.791 -5.868 1.00 0.00 N ATOM 252 CA PHE A 17 11.594 -2.818 -6.518 1.00 0.00 C ATOM 253 C PHE A 17 12.480 -3.918 -5.944 1.00 0.00 C ATOM 254 O PHE A 17 12.445 -4.199 -4.749 1.00 0.00 O ATOM 255 CB PHE A 17 12.302 -1.467 -6.369 1.00 0.00 C ATOM 256 CG PHE A 17 11.375 -0.287 -6.385 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.751 0.133 -5.224 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.131 0.403 -7.562 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.901 1.220 -5.234 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.280 1.491 -7.578 1.00 0.00 C ATOM 261 CZ PHE A 17 9.664 1.901 -6.411 1.00 0.00 C ATOM 0 H PHE A 17 10.275 -3.144 -4.911 1.00 0.00 H new ATOM 0 HA PHE A 17 11.424 -3.024 -7.575 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.862 -1.463 -5.434 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.027 -1.357 -7.176 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.931 -0.396 -4.300 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.611 0.087 -8.476 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.421 1.538 -4.320 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.096 2.020 -8.501 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.999 2.752 -6.420 1.00 0.00 H new ATOM 271 N LYS A 18 13.283 -4.528 -6.809 1.00 0.00 N ATOM 272 CA LYS A 18 14.190 -5.597 -6.405 1.00 0.00 C ATOM 273 C LYS A 18 15.096 -5.179 -5.246 1.00 0.00 C ATOM 274 O LYS A 18 15.710 -6.029 -4.600 1.00 0.00 O ATOM 275 CB LYS A 18 15.045 -6.035 -7.595 1.00 0.00 C ATOM 276 CG LYS A 18 14.249 -6.248 -8.872 1.00 0.00 C ATOM 277 CD LYS A 18 14.748 -5.360 -10.001 1.00 0.00 C ATOM 278 CE LYS A 18 15.588 -6.144 -10.998 1.00 0.00 C ATOM 279 NZ LYS A 18 14.755 -7.045 -11.838 1.00 0.00 N ATOM 0 H LYS A 18 13.324 -4.298 -7.802 1.00 0.00 H new ATOM 0 HA LYS A 18 13.577 -6.430 -6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.812 -5.282 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.561 -6.961 -7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.318 -7.293 -9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.196 -6.039 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.898 -4.910 -10.514 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.340 -4.543 -9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.132 -5.450 -11.639 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.332 -6.733 -10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.313 -7.879 -12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.920 -7.349 -11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.449 -6.538 -12.693 1.00 0.00 H new ATOM 293 N VAL A 19 15.194 -3.877 -4.990 1.00 0.00 N ATOM 294 CA VAL A 19 16.046 -3.381 -3.914 1.00 0.00 C ATOM 295 C VAL A 19 15.236 -2.856 -2.731 1.00 0.00 C ATOM 296 O VAL A 19 14.347 -2.022 -2.890 1.00 0.00 O ATOM 297 CB VAL A 19 16.977 -2.261 -4.412 1.00 0.00 C ATOM 298 CG1 VAL A 19 18.002 -1.904 -3.345 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.664 -2.670 -5.705 1.00 0.00 C ATOM 0 H VAL A 19 14.698 -3.152 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 19 16.639 -4.233 -3.581 1.00 0.00 H new ATOM 0 HB VAL A 19 16.373 -1.376 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.651 -1.111 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.488 -1.563 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.602 -2.783 -3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.318 -1.865 -6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.255 -3.570 -5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.913 -2.869 -6.469 1.00 0.00 H new ATOM 309 N LYS A 20 15.566 -3.355 -1.542 1.00 0.00 N ATOM 310 CA LYS A 20 14.896 -2.951 -0.316 1.00 0.00 C ATOM 311 C LYS A 20 15.254 -1.517 0.043 1.00 0.00 C ATOM 312 O LYS A 20 14.390 -0.738 0.434 1.00 0.00 O ATOM 313 CB LYS A 20 15.284 -3.885 0.833 1.00 0.00 C ATOM 314 CG LYS A 20 14.623 -3.532 2.157 1.00 0.00 C ATOM 315 CD LYS A 20 15.561 -3.768 3.330 1.00 0.00 C ATOM 316 CE LYS A 20 16.380 -2.526 3.647 1.00 0.00 C ATOM 317 NZ LYS A 20 17.658 -2.866 4.330 1.00 0.00 N ATOM 0 H LYS A 20 16.302 -4.047 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 20 13.820 -3.013 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.017 -4.907 0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.366 -3.861 0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.313 -2.487 2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.721 -4.130 2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.983 -4.057 4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.230 -4.598 3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.593 -1.986 2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.796 -1.857 4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.188 -1.994 4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.454 -3.359 5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.226 -3.483 3.716 1.00 0.00 H new ATOM 331 N ALA A 21 16.531 -1.162 -0.108 1.00 0.00 N ATOM 332 CA ALA A 21 16.974 0.195 0.190 1.00 0.00 C ATOM 333 C ALA A 21 16.101 1.195 -0.551 1.00 0.00 C ATOM 334 O ALA A 21 15.784 2.269 -0.037 1.00 0.00 O ATOM 335 CB ALA A 21 18.437 0.372 -0.192 1.00 0.00 C ATOM 0 H ALA A 21 17.267 -1.790 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 21 16.880 0.373 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.752 1.390 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.048 -0.332 0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.560 0.185 -1.259 1.00 0.00 H new ATOM 341 N ASN A 22 15.689 0.809 -1.754 1.00 0.00 N ATOM 342 CA ASN A 22 14.822 1.643 -2.564 1.00 0.00 C ATOM 343 C ASN A 22 13.411 1.599 -1.999 1.00 0.00 C ATOM 344 O ASN A 22 12.676 2.587 -2.048 1.00 0.00 O ATOM 345 CB ASN A 22 14.825 1.170 -4.019 1.00 0.00 C ATOM 346 CG ASN A 22 16.169 1.372 -4.690 1.00 0.00 C ATOM 347 OD1 ASN A 22 17.118 1.858 -4.074 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.259 0.998 -5.960 1.00 0.00 N ATOM 0 H ASN A 22 15.945 -0.079 -2.186 1.00 0.00 H new ATOM 0 HA ASN A 22 15.191 2.669 -2.541 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.559 0.114 -4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.059 1.711 -4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.139 1.109 -6.463 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.448 0.600 -6.433 1.00 0.00 H new ATOM 355 N ALA A 23 13.043 0.446 -1.439 1.00 0.00 N ATOM 356 CA ALA A 23 11.723 0.283 -0.844 1.00 0.00 C ATOM 357 C ALA A 23 11.609 1.088 0.448 1.00 0.00 C ATOM 358 O ALA A 23 10.515 1.484 0.853 1.00 0.00 O ATOM 359 CB ALA A 23 11.439 -1.189 -0.580 1.00 0.00 C ATOM 0 H ALA A 23 13.638 -0.381 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 23 10.981 0.660 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.449 -1.295 -0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.476 -1.741 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.188 -1.587 0.104 1.00 0.00 H new ATOM 365 N ASP A 24 12.749 1.332 1.089 1.00 0.00 N ATOM 366 CA ASP A 24 12.786 2.095 2.333 1.00 0.00 C ATOM 367 C ASP A 24 12.666 3.586 2.049 1.00 0.00 C ATOM 368 O ASP A 24 12.021 4.321 2.797 1.00 0.00 O ATOM 369 CB ASP A 24 14.084 1.807 3.092 1.00 0.00 C ATOM 370 CG ASP A 24 13.868 1.713 4.589 1.00 0.00 C ATOM 371 OD1 ASP A 24 13.400 2.705 5.187 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.163 0.644 5.165 1.00 0.00 O ATOM 0 H ASP A 24 13.662 1.011 0.766 1.00 0.00 H new ATOM 0 HA ASP A 24 11.941 1.790 2.950 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.514 0.873 2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.808 2.594 2.881 1.00 0.00 H new ATOM 377 N SER A 25 13.274 4.023 0.952 1.00 0.00 N ATOM 378 CA SER A 25 13.215 5.426 0.561 1.00 0.00 C ATOM 379 C SER A 25 11.785 5.792 0.185 1.00 0.00 C ATOM 380 O SER A 25 11.323 6.903 0.445 1.00 0.00 O ATOM 381 CB SER A 25 14.154 5.695 -0.615 1.00 0.00 C ATOM 382 OG SER A 25 13.832 6.916 -1.259 1.00 0.00 O ATOM 0 H SER A 25 13.811 3.429 0.320 1.00 0.00 H new ATOM 0 HA SER A 25 13.535 6.041 1.402 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.184 5.728 -0.261 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.089 4.875 -1.330 1.00 0.00 H new ATOM 0 HG SER A 25 14.449 7.064 -2.006 1.00 0.00 H new ATOM 388 N LEU A 26 11.091 4.836 -0.423 1.00 0.00 N ATOM 389 CA LEU A 26 9.708 5.025 -0.834 1.00 0.00 C ATOM 390 C LEU A 26 8.797 5.118 0.387 1.00 0.00 C ATOM 391 O LEU A 26 8.032 6.071 0.537 1.00 0.00 O ATOM 392 CB LEU A 26 9.280 3.864 -1.736 1.00 0.00 C ATOM 393 CG LEU A 26 7.923 4.018 -2.431 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.827 5.348 -3.163 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.691 2.863 -3.392 1.00 0.00 C ATOM 0 H LEU A 26 11.470 3.915 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 26 9.624 5.958 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.044 3.724 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.258 2.954 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 26 7.147 4.002 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.853 5.428 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.947 6.165 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.612 5.406 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.724 2.984 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.478 2.853 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.704 1.923 -2.841 1.00 0.00 H new ATOM 407 N ALA A 27 8.894 4.134 1.274 1.00 0.00 N ATOM 408 CA ALA A 27 8.088 4.128 2.489 1.00 0.00 C ATOM 409 C ALA A 27 8.307 5.412 3.287 1.00 0.00 C ATOM 410 O ALA A 27 7.438 5.847 4.044 1.00 0.00 O ATOM 411 CB ALA A 27 8.420 2.910 3.338 1.00 0.00 C ATOM 0 H ALA A 27 9.519 3.334 1.176 1.00 0.00 H new ATOM 0 HA ALA A 27 7.037 4.077 2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.810 2.919 4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.213 2.003 2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.475 2.934 3.612 1.00 0.00 H new ATOM 417 N SER A 28 9.478 6.015 3.102 1.00 0.00 N ATOM 418 CA SER A 28 9.826 7.251 3.794 1.00 0.00 C ATOM 419 C SER A 28 9.082 8.440 3.193 1.00 0.00 C ATOM 420 O SER A 28 8.614 9.321 3.916 1.00 0.00 O ATOM 421 CB SER A 28 11.335 7.491 3.723 1.00 0.00 C ATOM 422 OG SER A 28 11.778 8.274 4.816 1.00 0.00 O ATOM 0 H SER A 28 10.204 5.666 2.476 1.00 0.00 H new ATOM 0 HA SER A 28 9.529 7.150 4.838 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.859 6.535 3.720 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.583 7.993 2.788 1.00 0.00 H new ATOM 0 HG SER A 28 12.746 8.412 4.749 1.00 0.00 H new ATOM 428 N ASN A 29 8.974 8.462 1.867 1.00 0.00 N ATOM 429 CA ASN A 29 8.287 9.549 1.181 1.00 0.00 C ATOM 430 C ASN A 29 6.832 9.625 1.620 1.00 0.00 C ATOM 431 O ASN A 29 6.334 10.695 1.971 1.00 0.00 O ATOM 432 CB ASN A 29 8.396 9.382 -0.341 1.00 0.00 C ATOM 433 CG ASN A 29 7.456 8.340 -0.924 1.00 0.00 C ATOM 434 OD1 ASN A 29 7.895 7.287 -1.374 1.00 0.00 O ATOM 435 ND2 ASN A 29 6.164 8.635 -0.945 1.00 0.00 N ATOM 0 H ASN A 29 9.352 7.743 1.250 1.00 0.00 H new ATOM 0 HA ASN A 29 8.770 10.488 1.452 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.195 10.342 -0.816 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.421 9.111 -0.593 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.497 7.976 -1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.837 9.521 -0.561 1.00 0.00 H new ATOM 442 N ALA A 30 6.158 8.484 1.606 1.00 0.00 N ATOM 443 CA ALA A 30 4.763 8.426 2.013 1.00 0.00 C ATOM 444 C ALA A 30 4.622 8.859 3.464 1.00 0.00 C ATOM 445 O ALA A 30 3.679 9.564 3.826 1.00 0.00 O ATOM 446 CB ALA A 30 4.210 7.023 1.821 1.00 0.00 C ATOM 0 H ALA A 30 6.554 7.589 1.318 1.00 0.00 H new ATOM 0 HA ALA A 30 4.189 9.109 1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.165 6.998 2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.284 6.744 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.784 6.320 2.425 1.00 0.00 H new ATOM 452 N GLU A 31 5.574 8.437 4.291 1.00 0.00 N ATOM 453 CA GLU A 31 5.564 8.788 5.708 1.00 0.00 C ATOM 454 C GLU A 31 5.486 10.301 5.877 1.00 0.00 C ATOM 455 O GLU A 31 4.836 10.805 6.792 1.00 0.00 O ATOM 456 CB GLU A 31 6.816 8.246 6.400 1.00 0.00 C ATOM 457 CG GLU A 31 6.693 8.184 7.916 1.00 0.00 C ATOM 458 CD GLU A 31 8.039 8.234 8.612 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.954 7.491 8.191 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.179 9.013 9.577 1.00 0.00 O ATOM 0 H GLU A 31 6.360 7.853 4.006 1.00 0.00 H new ATOM 0 HA GLU A 31 4.686 8.337 6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.028 7.247 6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.667 8.874 6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.078 9.015 8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.176 7.267 8.198 1.00 0.00 H new ATOM 467 N ALA A 32 6.150 11.015 4.975 1.00 0.00 N ATOM 468 CA ALA A 32 6.160 12.474 4.998 1.00 0.00 C ATOM 469 C ALA A 32 4.738 13.016 5.019 1.00 0.00 C ATOM 470 O ALA A 32 4.385 13.825 5.876 1.00 0.00 O ATOM 471 CB ALA A 32 6.922 13.017 3.799 1.00 0.00 C ATOM 0 H ALA A 32 6.692 10.605 4.214 1.00 0.00 H new ATOM 0 HA ALA A 32 6.666 12.803 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.921 14.107 3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.950 12.654 3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.443 12.680 2.880 1.00 0.00 H new ATOM 477 N LYS A 33 3.917 12.547 4.083 1.00 0.00 N ATOM 478 CA LYS A 33 2.527 12.976 4.026 1.00 0.00 C ATOM 479 C LYS A 33 1.819 12.548 5.302 1.00 0.00 C ATOM 480 O LYS A 33 0.875 13.195 5.758 1.00 0.00 O ATOM 481 CB LYS A 33 1.823 12.377 2.810 1.00 0.00 C ATOM 482 CG LYS A 33 2.273 12.979 1.492 1.00 0.00 C ATOM 483 CD LYS A 33 1.952 14.465 1.417 1.00 0.00 C ATOM 484 CE LYS A 33 3.189 15.316 1.665 1.00 0.00 C ATOM 485 NZ LYS A 33 2.946 16.361 2.699 1.00 0.00 N ATOM 0 H LYS A 33 4.188 11.878 3.363 1.00 0.00 H new ATOM 0 HA LYS A 33 2.495 14.062 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.002 11.302 2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.748 12.519 2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.346 12.831 1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.785 12.459 0.668 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.538 14.700 0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.187 14.711 2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.012 14.676 1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.495 15.791 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.439 17.237 2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.925 16.546 2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.304 16.030 3.618 1.00 0.00 H new ATOM 499 N GLY A 34 2.304 11.454 5.884 1.00 0.00 N ATOM 500 CA GLY A 34 1.742 10.947 7.114 1.00 0.00 C ATOM 501 C GLY A 34 0.972 9.658 6.916 1.00 0.00 C ATOM 502 O GLY A 34 -0.029 9.414 7.590 1.00 0.00 O ATOM 0 H GLY A 34 3.084 10.909 5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.544 10.780 7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.080 11.699 7.543 1.00 0.00 H new ATOM 506 N PHE A 35 1.447 8.827 5.996 1.00 0.00 N ATOM 507 CA PHE A 35 0.806 7.554 5.722 1.00 0.00 C ATOM 508 C PHE A 35 1.569 6.414 6.381 1.00 0.00 C ATOM 509 O PHE A 35 2.751 6.544 6.697 1.00 0.00 O ATOM 510 CB PHE A 35 0.717 7.330 4.217 1.00 0.00 C ATOM 511 CG PHE A 35 0.218 8.531 3.468 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.705 9.393 4.041 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.680 8.801 2.195 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.157 10.501 3.353 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.234 9.910 1.500 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.687 10.759 2.080 1.00 0.00 C ATOM 0 H PHE A 35 2.274 9.015 5.429 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.201 7.576 6.138 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.702 7.057 3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.055 6.487 4.020 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.074 9.195 5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.399 8.138 1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.877 11.165 3.809 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.605 10.111 0.506 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.040 11.624 1.539 1.00 0.00 H new ATOM 526 N ASP A 36 0.889 5.295 6.577 1.00 0.00 N ATOM 527 CA ASP A 36 1.506 4.128 7.185 1.00 0.00 C ATOM 528 C ASP A 36 2.197 3.288 6.122 1.00 0.00 C ATOM 529 O ASP A 36 1.561 2.464 5.462 1.00 0.00 O ATOM 530 CB ASP A 36 0.457 3.292 7.923 1.00 0.00 C ATOM 531 CG ASP A 36 0.607 3.373 9.429 1.00 0.00 C ATOM 532 OD1 ASP A 36 1.420 2.607 9.988 1.00 0.00 O ATOM 533 OD2 ASP A 36 -0.088 4.203 10.052 1.00 0.00 O ATOM 0 H ASP A 36 -0.091 5.171 6.323 1.00 0.00 H new ATOM 0 HA ASP A 36 2.251 4.464 7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.539 3.633 7.641 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.539 2.252 7.608 1.00 0.00 H new ATOM 538 N SER A 37 3.494 3.513 5.934 1.00 0.00 N ATOM 539 CA SER A 37 4.247 2.786 4.923 1.00 0.00 C ATOM 540 C SER A 37 4.644 1.407 5.427 1.00 0.00 C ATOM 541 O SER A 37 4.701 1.160 6.631 1.00 0.00 O ATOM 542 CB SER A 37 5.495 3.575 4.523 1.00 0.00 C ATOM 543 OG SER A 37 6.436 3.618 5.584 1.00 0.00 O ATOM 0 H SER A 37 4.041 4.190 6.466 1.00 0.00 H new ATOM 0 HA SER A 37 3.608 2.662 4.049 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.952 3.117 3.646 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.213 4.590 4.242 1.00 0.00 H new ATOM 0 HG SER A 37 7.028 4.390 5.465 1.00 0.00 H new ATOM 549 N ILE A 38 4.891 0.507 4.486 1.00 0.00 N ATOM 550 CA ILE A 38 5.255 -0.864 4.810 1.00 0.00 C ATOM 551 C ILE A 38 6.029 -1.498 3.659 1.00 0.00 C ATOM 552 O ILE A 38 5.679 -1.319 2.493 1.00 0.00 O ATOM 553 CB ILE A 38 3.987 -1.693 5.111 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.275 -3.198 5.033 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.874 -1.306 4.145 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.545 -4.009 6.081 1.00 0.00 C ATOM 0 H ILE A 38 4.845 0.704 3.486 1.00 0.00 H new ATOM 0 HA ILE A 38 5.892 -0.852 5.694 1.00 0.00 H new ATOM 0 HB ILE A 38 3.665 -1.473 6.129 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.996 -3.562 4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.347 -3.360 5.142 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.983 -1.894 4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.646 -0.246 4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.196 -1.500 3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.796 -5.063 5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.842 -3.672 7.074 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.470 -3.877 5.960 1.00 0.00 H new ATOM 568 N VAL A 39 7.083 -2.238 3.988 1.00 0.00 N ATOM 569 CA VAL A 39 7.900 -2.888 2.974 1.00 0.00 C ATOM 570 C VAL A 39 7.839 -4.407 3.094 1.00 0.00 C ATOM 571 O VAL A 39 8.304 -4.980 4.080 1.00 0.00 O ATOM 572 CB VAL A 39 9.371 -2.439 3.063 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.161 -2.953 1.869 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.463 -0.925 3.162 1.00 0.00 C ATOM 0 H VAL A 39 7.390 -2.401 4.947 1.00 0.00 H new ATOM 0 HA VAL A 39 7.491 -2.589 2.009 1.00 0.00 H new ATOM 0 HB VAL A 39 9.807 -2.865 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.197 -2.625 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.125 -4.042 1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.727 -2.560 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.510 -0.627 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.009 -0.474 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.936 -0.586 4.054 1.00 0.00 H new ATOM 584 N LEU A 40 7.269 -5.059 2.081 1.00 0.00 N ATOM 585 CA LEU A 40 7.158 -6.514 2.077 1.00 0.00 C ATOM 586 C LEU A 40 8.136 -7.123 1.080 1.00 0.00 C ATOM 587 O LEU A 40 8.099 -6.810 -0.110 1.00 0.00 O ATOM 588 CB LEU A 40 5.725 -6.949 1.735 1.00 0.00 C ATOM 589 CG LEU A 40 5.600 -8.237 0.907 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.390 -9.374 1.547 1.00 0.00 C ATOM 591 CD2 LEU A 40 4.137 -8.625 0.747 1.00 0.00 C ATOM 0 H LEU A 40 6.879 -4.603 1.256 1.00 0.00 H new ATOM 0 HA LEU A 40 7.404 -6.873 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.173 -7.082 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.240 -6.140 1.190 1.00 0.00 H new ATOM 0 HG LEU A 40 6.019 -8.049 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.286 -10.275 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.443 -9.097 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.007 -9.564 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.065 -9.539 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.695 -8.791 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.601 -7.823 0.239 1.00 0.00 H new ATOM 682 N TYR A 46 10.793 -5.881 -3.661 1.00 0.00 N ATOM 683 CA TYR A 46 10.327 -5.249 -2.434 1.00 0.00 C ATOM 684 C TYR A 46 9.211 -4.267 -2.760 1.00 0.00 C ATOM 685 O TYR A 46 9.366 -3.414 -3.626 1.00 0.00 O ATOM 686 CB TYR A 46 11.476 -4.531 -1.731 1.00 0.00 C ATOM 687 CG TYR A 46 12.337 -5.459 -0.913 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.171 -6.382 -1.530 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.303 -5.429 0.476 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.947 -7.245 -0.787 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.080 -6.288 1.226 1.00 0.00 C ATOM 692 CZ TYR A 46 13.900 -7.196 0.590 1.00 0.00 C ATOM 693 OH TYR A 46 14.675 -8.057 1.333 1.00 0.00 O ATOM 0 HA TYR A 46 9.945 -6.018 -1.762 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.095 -4.032 -2.476 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.070 -3.755 -1.082 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.212 -6.424 -2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.658 -4.722 0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.590 -7.958 -1.282 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.046 -6.249 2.305 1.00 0.00 H new ATOM 0 HH TYR A 46 14.525 -7.891 2.287 1.00 0.00 H new ATOM 703 N LYS A 47 8.087 -4.393 -2.069 1.00 0.00 N ATOM 704 CA LYS A 47 6.951 -3.507 -2.311 1.00 0.00 C ATOM 705 C LYS A 47 6.765 -2.521 -1.178 1.00 0.00 C ATOM 706 O LYS A 47 7.112 -2.796 -0.032 1.00 0.00 O ATOM 707 CB LYS A 47 5.663 -4.306 -2.511 1.00 0.00 C ATOM 708 CG LYS A 47 5.881 -5.648 -3.180 1.00 0.00 C ATOM 709 CD LYS A 47 5.980 -6.765 -2.155 1.00 0.00 C ATOM 710 CE LYS A 47 5.154 -7.966 -2.571 1.00 0.00 C ATOM 711 NZ LYS A 47 3.707 -7.637 -2.675 1.00 0.00 N ATOM 0 H LYS A 47 7.935 -5.092 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 47 7.169 -2.951 -3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.189 -4.465 -1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.970 -3.718 -3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.059 -5.853 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.793 -5.616 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.022 -7.061 -2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.638 -6.404 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.512 -8.337 -3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.292 -8.769 -1.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.142 -8.482 -2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.474 -6.880 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.492 -7.318 -3.641 1.00 0.00 H new ATOM 725 N VAL A 48 6.208 -1.368 -1.517 1.00 0.00 N ATOM 726 CA VAL A 48 5.966 -0.325 -0.541 1.00 0.00 C ATOM 727 C VAL A 48 4.504 0.103 -0.548 1.00 0.00 C ATOM 728 O VAL A 48 4.049 0.795 -1.459 1.00 0.00 O ATOM 729 CB VAL A 48 6.875 0.887 -0.799 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.663 1.960 0.260 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.329 0.444 -0.833 1.00 0.00 C ATOM 0 H VAL A 48 5.915 -1.134 -2.466 1.00 0.00 H new ATOM 0 HA VAL A 48 6.200 -0.732 0.443 1.00 0.00 H new ATOM 0 HB VAL A 48 6.616 1.318 -1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.318 2.807 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.625 2.291 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.895 1.551 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.968 1.308 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.594 -0.007 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.468 -0.286 -1.630 1.00 0.00 H new ATOM 741 N GLN A 49 3.777 -0.324 0.478 1.00 0.00 N ATOM 742 CA GLN A 49 2.363 0.001 0.605 1.00 0.00 C ATOM 743 C GLN A 49 2.149 1.081 1.659 1.00 0.00 C ATOM 744 O GLN A 49 2.808 1.089 2.698 1.00 0.00 O ATOM 745 CB GLN A 49 1.570 -1.260 0.966 1.00 0.00 C ATOM 746 CG GLN A 49 0.089 -1.013 1.202 1.00 0.00 C ATOM 747 CD GLN A 49 -0.546 -2.080 2.069 1.00 0.00 C ATOM 748 OE1 GLN A 49 -1.024 -1.801 3.169 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.557 -3.314 1.576 1.00 0.00 N ATOM 0 H GLN A 49 4.146 -0.898 1.236 1.00 0.00 H new ATOM 0 HA GLN A 49 2.007 0.385 -0.351 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.683 -1.990 0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.001 -1.703 1.863 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.043 -0.040 1.674 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.427 -0.974 0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.150 -3.501 0.660 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.973 -4.074 2.114 1.00 0.00 H new ATOM 758 N ILE A 50 1.220 1.990 1.384 1.00 0.00 N ATOM 759 CA ILE A 50 0.914 3.069 2.306 1.00 0.00 C ATOM 760 C ILE A 50 -0.593 3.252 2.477 1.00 0.00 C ATOM 761 O ILE A 50 -1.326 3.465 1.515 1.00 0.00 O ATOM 762 CB ILE A 50 1.571 4.387 1.864 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.282 4.688 0.388 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.069 4.299 2.107 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.252 5.771 0.186 1.00 0.00 C ATOM 0 H ILE A 50 0.667 1.998 0.527 1.00 0.00 H new ATOM 0 HA ILE A 50 1.330 2.790 3.274 1.00 0.00 H new ATOM 0 HB ILE A 50 1.151 5.205 2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.209 4.983 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.939 3.776 -0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.543 5.230 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.256 4.133 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.483 3.471 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.097 5.932 -0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.688 5.470 0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.602 6.696 0.645 1.00 0.00 H new ATOM 777 N GLY A 51 -1.026 3.169 3.728 1.00 0.00 N ATOM 778 CA GLY A 51 -2.428 3.326 4.062 1.00 0.00 C ATOM 779 C GLY A 51 -3.248 2.080 3.797 1.00 0.00 C ATOM 780 O GLY A 51 -3.524 1.743 2.645 1.00 0.00 O ATOM 0 H GLY A 51 -0.420 2.993 4.529 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.516 3.594 5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.841 4.154 3.487 1.00 0.00 H new ATOM 784 N ALA A 52 -3.648 1.399 4.865 1.00 0.00 N ATOM 785 CA ALA A 52 -4.452 0.187 4.752 1.00 0.00 C ATOM 786 C ALA A 52 -5.640 0.253 5.705 1.00 0.00 C ATOM 787 O ALA A 52 -5.467 0.438 6.910 1.00 0.00 O ATOM 788 CB ALA A 52 -3.603 -1.042 5.040 1.00 0.00 C ATOM 0 H ALA A 52 -3.427 1.667 5.824 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.829 0.111 3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.218 -1.938 4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.782 -1.093 4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.200 -0.977 6.051 1.00 0.00 H new ATOM 794 N PHE A 53 -6.846 0.116 5.163 1.00 0.00 N ATOM 795 CA PHE A 53 -8.053 0.180 5.982 1.00 0.00 C ATOM 796 C PHE A 53 -9.106 -0.815 5.510 1.00 0.00 C ATOM 797 O PHE A 53 -8.936 -1.489 4.493 1.00 0.00 O ATOM 798 CB PHE A 53 -8.636 1.597 5.958 1.00 0.00 C ATOM 799 CG PHE A 53 -7.597 2.679 5.883 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.889 2.897 4.712 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.329 3.479 6.982 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.932 3.889 4.637 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.372 4.474 6.914 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.673 4.681 5.741 1.00 0.00 C ATOM 0 H PHE A 53 -7.014 -0.039 4.169 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.771 -0.082 7.002 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.306 1.690 5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.239 1.747 6.853 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.089 2.283 3.846 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.874 3.323 7.902 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.387 4.046 3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.171 5.090 7.778 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.926 5.459 5.686 1.00 0.00 H new ATOM 814 N SER A 54 -10.201 -0.895 6.262 1.00 0.00 N ATOM 815 CA SER A 54 -11.297 -1.799 5.932 1.00 0.00 C ATOM 816 C SER A 54 -12.232 -1.172 4.903 1.00 0.00 C ATOM 817 O SER A 54 -13.002 -1.875 4.246 1.00 0.00 O ATOM 818 CB SER A 54 -12.080 -2.160 7.196 1.00 0.00 C ATOM 819 OG SER A 54 -12.928 -1.099 7.594 1.00 0.00 O ATOM 0 H SER A 54 -10.352 -0.343 7.106 1.00 0.00 H new ATOM 0 HA SER A 54 -10.871 -2.705 5.501 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.674 -3.056 7.015 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.385 -2.396 8.002 1.00 0.00 H new ATOM 0 HG SER A 54 -13.417 -1.357 8.403 1.00 0.00 H new ATOM 825 N SER A 55 -12.167 0.152 4.762 1.00 0.00 N ATOM 826 CA SER A 55 -13.012 0.862 3.807 1.00 0.00 C ATOM 827 C SER A 55 -12.182 1.437 2.660 1.00 0.00 C ATOM 828 O SER A 55 -11.178 2.112 2.882 1.00 0.00 O ATOM 829 CB SER A 55 -13.778 1.984 4.514 1.00 0.00 C ATOM 830 OG SER A 55 -15.174 1.854 4.310 1.00 0.00 O ATOM 0 H SER A 55 -11.539 0.752 5.297 1.00 0.00 H new ATOM 0 HA SER A 55 -13.724 0.150 3.389 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.559 1.961 5.582 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.441 2.951 4.140 1.00 0.00 H new ATOM 0 HG SER A 55 -15.524 2.677 3.909 1.00 0.00 H new ATOM 836 N LYS A 56 -12.611 1.159 1.430 1.00 0.00 N ATOM 837 CA LYS A 56 -11.911 1.643 0.243 1.00 0.00 C ATOM 838 C LYS A 56 -11.757 3.160 0.272 1.00 0.00 C ATOM 839 O LYS A 56 -10.744 3.696 -0.177 1.00 0.00 O ATOM 840 CB LYS A 56 -12.656 1.218 -1.021 1.00 0.00 C ATOM 841 CG LYS A 56 -11.775 1.200 -2.259 1.00 0.00 C ATOM 842 CD LYS A 56 -11.995 2.434 -3.117 1.00 0.00 C ATOM 843 CE LYS A 56 -11.142 2.394 -4.376 1.00 0.00 C ATOM 844 NZ LYS A 56 -11.320 1.120 -5.126 1.00 0.00 N ATOM 0 H LYS A 56 -13.441 0.601 1.230 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.915 1.200 0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.078 0.225 -0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.492 1.897 -1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.728 1.145 -1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.987 0.306 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.048 2.506 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.754 3.327 -2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.404 3.234 -5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.092 2.514 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.965 1.236 -6.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.790 0.361 -4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.330 0.872 -5.154 1.00 0.00 H new ATOM 858 N ASP A 57 -12.765 3.848 0.799 1.00 0.00 N ATOM 859 CA ASP A 57 -12.737 5.304 0.881 1.00 0.00 C ATOM 860 C ASP A 57 -11.432 5.793 1.505 1.00 0.00 C ATOM 861 O ASP A 57 -10.927 6.859 1.158 1.00 0.00 O ATOM 862 CB ASP A 57 -13.927 5.816 1.694 1.00 0.00 C ATOM 863 CG ASP A 57 -14.008 5.177 3.065 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.123 5.456 3.902 1.00 0.00 O ATOM 865 OD2 ASP A 57 -14.955 4.399 3.304 1.00 0.00 O ATOM 0 H ASP A 57 -13.611 3.421 1.176 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.803 5.698 -0.133 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.850 6.898 1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.849 5.616 1.148 1.00 0.00 H new ATOM 870 N ASN A 58 -10.894 5.000 2.424 1.00 0.00 N ATOM 871 CA ASN A 58 -9.648 5.348 3.096 1.00 0.00 C ATOM 872 C ASN A 58 -8.472 5.233 2.133 1.00 0.00 C ATOM 873 O ASN A 58 -7.663 6.153 2.009 1.00 0.00 O ATOM 874 CB ASN A 58 -9.425 4.442 4.307 1.00 0.00 C ATOM 875 CG ASN A 58 -10.593 4.469 5.272 1.00 0.00 C ATOM 876 OD1 ASN A 58 -11.615 3.820 5.047 1.00 0.00 O ATOM 877 ND2 ASN A 58 -10.448 5.222 6.356 1.00 0.00 N ATOM 0 H ASN A 58 -11.300 4.113 2.721 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.719 6.380 3.438 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.262 3.419 3.967 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.520 4.753 4.828 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.201 5.279 7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.584 5.743 6.503 1.00 0.00 H new ATOM 884 N ALA A 59 -8.383 4.097 1.449 1.00 0.00 N ATOM 885 CA ALA A 59 -7.311 3.856 0.492 1.00 0.00 C ATOM 886 C ALA A 59 -7.322 4.897 -0.620 1.00 0.00 C ATOM 887 O ALA A 59 -6.277 5.419 -0.996 1.00 0.00 O ATOM 888 CB ALA A 59 -7.434 2.458 -0.089 1.00 0.00 C ATOM 0 H ALA A 59 -9.044 3.326 1.541 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.360 3.939 1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.628 2.288 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.368 1.723 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.394 2.358 -0.595 1.00 0.00 H new ATOM 894 N ASP A 60 -8.505 5.193 -1.150 1.00 0.00 N ATOM 895 CA ASP A 60 -8.636 6.174 -2.224 1.00 0.00 C ATOM 896 C ASP A 60 -8.076 7.527 -1.796 1.00 0.00 C ATOM 897 O ASP A 60 -7.236 8.106 -2.485 1.00 0.00 O ATOM 898 CB ASP A 60 -10.103 6.323 -2.632 1.00 0.00 C ATOM 899 CG ASP A 60 -10.522 5.301 -3.670 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.630 4.683 -4.289 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.742 5.118 -3.864 1.00 0.00 O ATOM 0 H ASP A 60 -9.385 4.769 -0.855 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.063 5.817 -3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.735 6.220 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.267 7.326 -3.027 1.00 0.00 H new ATOM 906 N THR A 61 -8.545 8.023 -0.656 1.00 0.00 N ATOM 907 CA THR A 61 -8.087 9.307 -0.137 1.00 0.00 C ATOM 908 C THR A 61 -6.569 9.323 0.014 1.00 0.00 C ATOM 909 O THR A 61 -5.916 10.326 -0.272 1.00 0.00 O ATOM 910 CB THR A 61 -8.749 9.599 1.211 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.154 9.447 1.125 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.468 10.995 1.727 1.00 0.00 C ATOM 0 H THR A 61 -9.241 7.556 -0.074 1.00 0.00 H new ATOM 0 HA THR A 61 -8.370 10.082 -0.849 1.00 0.00 H new ATOM 0 HB THR A 61 -8.317 8.879 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.387 8.500 1.219 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.967 11.136 2.686 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.393 11.126 1.854 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.841 11.729 1.013 1.00 0.00 H new ATOM 920 N LEU A 62 -6.017 8.198 0.454 1.00 0.00 N ATOM 921 CA LEU A 62 -4.576 8.061 0.639 1.00 0.00 C ATOM 922 C LEU A 62 -3.868 8.109 -0.688 1.00 0.00 C ATOM 923 O LEU A 62 -2.888 8.832 -0.875 1.00 0.00 O ATOM 924 CB LEU A 62 -4.256 6.705 1.256 1.00 0.00 C ATOM 925 CG LEU A 62 -3.017 6.675 2.145 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.860 7.386 1.465 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.315 7.305 3.498 1.00 0.00 C ATOM 0 H LEU A 62 -6.550 7.361 0.691 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.248 8.877 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.114 6.379 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.126 5.979 0.453 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.733 5.635 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.983 7.356 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.632 6.890 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.133 8.423 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.419 7.275 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.624 8.341 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.116 6.751 3.989 1.00 0.00 H new ATOM 939 N ALA A 63 -4.356 7.280 -1.595 1.00 0.00 N ATOM 940 CA ALA A 63 -3.766 7.161 -2.898 1.00 0.00 C ATOM 941 C ALA A 63 -3.640 8.522 -3.575 1.00 0.00 C ATOM 942 O ALA A 63 -2.538 8.978 -3.881 1.00 0.00 O ATOM 943 CB ALA A 63 -4.567 6.202 -3.763 1.00 0.00 C ATOM 0 H ALA A 63 -5.166 6.679 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.761 6.757 -2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.104 6.126 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.587 5.218 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.586 6.573 -3.870 1.00 0.00 H new ATOM 949 N ALA A 64 -4.784 9.170 -3.799 1.00 0.00 N ATOM 950 CA ALA A 64 -4.810 10.484 -4.433 1.00 0.00 C ATOM 951 C ALA A 64 -3.861 11.441 -3.722 1.00 0.00 C ATOM 952 O ALA A 64 -3.198 12.262 -4.356 1.00 0.00 O ATOM 953 CB ALA A 64 -6.225 11.042 -4.434 1.00 0.00 C ATOM 0 H ALA A 64 -5.703 8.805 -3.550 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.478 10.376 -5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.229 12.023 -4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.881 10.368 -4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.580 11.135 -3.408 1.00 0.00 H new ATOM 959 N ARG A 65 -3.789 11.313 -2.402 1.00 0.00 N ATOM 960 CA ARG A 65 -2.909 12.150 -1.602 1.00 0.00 C ATOM 961 C ARG A 65 -1.459 11.884 -1.979 1.00 0.00 C ATOM 962 O ARG A 65 -0.649 12.806 -2.073 1.00 0.00 O ATOM 963 CB ARG A 65 -3.128 11.869 -0.116 1.00 0.00 C ATOM 964 CG ARG A 65 -2.891 13.075 0.777 1.00 0.00 C ATOM 965 CD ARG A 65 -3.422 12.833 2.181 1.00 0.00 C ATOM 966 NE ARG A 65 -4.268 13.931 2.643 1.00 0.00 N ATOM 967 CZ ARG A 65 -4.960 13.906 3.780 1.00 0.00 C ATOM 968 NH1 ARG A 65 -4.907 12.844 4.573 1.00 0.00 N ATOM 969 NH2 ARG A 65 -5.709 14.945 4.124 1.00 0.00 N ATOM 0 H ARG A 65 -4.331 10.636 -1.865 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.138 13.197 -1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.148 11.515 0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.463 11.063 0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.824 13.294 0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.378 13.950 0.347 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.992 11.904 2.198 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.585 12.706 2.868 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.332 14.766 2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.334 12.041 4.313 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.439 12.830 5.443 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.755 15.764 3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.239 14.925 4.995 1.00 0.00 H new ATOM 983 N ALA A 66 -1.146 10.612 -2.215 1.00 0.00 N ATOM 984 CA ALA A 66 0.197 10.223 -2.604 1.00 0.00 C ATOM 985 C ALA A 66 0.521 10.797 -3.971 1.00 0.00 C ATOM 986 O ALA A 66 1.613 11.312 -4.196 1.00 0.00 O ATOM 987 CB ALA A 66 0.346 8.711 -2.595 1.00 0.00 C ATOM 0 H ALA A 66 -1.807 9.838 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 66 0.906 10.626 -1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.361 8.444 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.148 8.332 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.363 8.271 -3.296 1.00 0.00 H new ATOM 993 N LYS A 67 -0.451 10.735 -4.877 1.00 0.00 N ATOM 994 CA LYS A 67 -0.271 11.278 -6.212 1.00 0.00 C ATOM 995 C LYS A 67 -0.002 12.771 -6.120 1.00 0.00 C ATOM 996 O LYS A 67 0.946 13.285 -6.717 1.00 0.00 O ATOM 997 CB LYS A 67 -1.506 11.012 -7.072 1.00 0.00 C ATOM 998 CG LYS A 67 -1.631 9.567 -7.528 1.00 0.00 C ATOM 999 CD LYS A 67 -3.081 9.105 -7.527 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.232 7.744 -8.186 1.00 0.00 C ATOM 1001 NZ LYS A 67 -3.453 7.857 -9.654 1.00 0.00 N ATOM 0 H LYS A 67 -1.365 10.316 -4.709 1.00 0.00 H new ATOM 0 HA LYS A 67 0.581 10.788 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.397 11.284 -6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.474 11.659 -7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.216 9.464 -8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.043 8.925 -6.872 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.448 9.057 -6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.697 9.835 -8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.338 7.149 -7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.069 7.213 -7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.551 6.906 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.320 8.403 -9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.643 8.341 -10.091 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.831 13.457 -5.345 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.677 14.889 -5.137 1.00 0.00 C ATOM 1017 C ASN A 68 0.590 15.161 -4.333 1.00 0.00 C ATOM 1018 O ASN A 68 1.184 16.236 -4.425 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.895 15.448 -4.400 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.131 16.915 -4.699 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -1.991 17.769 -3.824 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -2.491 17.216 -5.942 1.00 0.00 N ATOM 0 H ASN A 68 -1.620 13.042 -4.849 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.597 15.382 -6.106 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.780 14.876 -4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.758 15.317 -3.327 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.663 18.187 -6.202 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.595 16.476 -6.636 1.00 0.00 H new ATOM 1029 N ALA A 69 0.993 14.168 -3.542 1.00 0.00 N ATOM 1030 CA ALA A 69 2.185 14.271 -2.711 1.00 0.00 C ATOM 1031 C ALA A 69 3.457 14.075 -3.531 1.00 0.00 C ATOM 1032 O ALA A 69 4.542 14.485 -3.116 1.00 0.00 O ATOM 1033 CB ALA A 69 2.121 13.244 -1.592 1.00 0.00 C ATOM 0 H ALA A 69 0.504 13.276 -3.461 1.00 0.00 H new ATOM 0 HA ALA A 69 2.216 15.274 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.014 13.324 -0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.238 13.427 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.065 12.243 -2.020 1.00 0.00 H new ATOM 1039 N GLY A 70 3.322 13.438 -4.690 1.00 0.00 N ATOM 1040 CA GLY A 70 4.471 13.191 -5.540 1.00 0.00 C ATOM 1041 C GLY A 70 4.825 11.721 -5.581 1.00 0.00 C ATOM 1042 O GLY A 70 5.971 11.353 -5.841 1.00 0.00 O ATOM 0 H GLY A 70 2.436 13.088 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.260 13.544 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.325 13.762 -5.174 1.00 0.00 H new ATOM 1046 N PHE A 71 3.834 10.878 -5.306 1.00 0.00 N ATOM 1047 CA PHE A 71 4.026 9.440 -5.289 1.00 0.00 C ATOM 1048 C PHE A 71 2.931 8.761 -6.104 1.00 0.00 C ATOM 1049 O PHE A 71 1.815 9.264 -6.188 1.00 0.00 O ATOM 1050 CB PHE A 71 3.983 8.931 -3.847 1.00 0.00 C ATOM 1051 CG PHE A 71 4.477 9.932 -2.840 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.709 10.548 -2.998 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.702 10.263 -1.739 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.159 11.475 -2.077 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.147 11.190 -0.815 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.377 11.799 -0.984 1.00 0.00 C ATOM 0 H PHE A 71 2.882 11.175 -5.090 1.00 0.00 H new ATOM 0 HA PHE A 71 4.996 9.205 -5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.958 8.654 -3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.585 8.025 -3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.324 10.301 -3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.740 9.791 -1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.121 11.946 -2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.534 11.439 0.039 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.725 12.525 -0.265 1.00 0.00 H new ATOM 1066 N ASP A 72 3.246 7.623 -6.701 1.00 0.00 N ATOM 1067 CA ASP A 72 2.266 6.901 -7.503 1.00 0.00 C ATOM 1068 C ASP A 72 1.532 5.861 -6.662 1.00 0.00 C ATOM 1069 O ASP A 72 1.772 4.664 -6.801 1.00 0.00 O ATOM 1070 CB ASP A 72 2.950 6.222 -8.692 1.00 0.00 C ATOM 1071 CG ASP A 72 1.956 5.643 -9.679 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.837 5.284 -9.255 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.296 5.546 -10.878 1.00 0.00 O ATOM 0 H ASP A 72 4.164 7.181 -6.648 1.00 0.00 H new ATOM 0 HA ASP A 72 1.537 7.621 -7.874 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.586 6.945 -9.203 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.601 5.427 -8.328 1.00 0.00 H new ATOM 1078 N ALA A 73 0.631 6.322 -5.794 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.132 5.418 -4.940 1.00 0.00 C ATOM 1080 C ALA A 73 -1.380 4.897 -5.642 1.00 0.00 C ATOM 1081 O ALA A 73 -2.081 5.642 -6.328 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.521 6.113 -3.645 1.00 0.00 C ATOM 0 H ALA A 73 0.414 7.310 -5.666 1.00 0.00 H new ATOM 0 HA ALA A 73 0.508 4.565 -4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.090 5.425 -3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.379 6.426 -3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.132 6.987 -3.870 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.659 3.613 -5.446 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.828 2.976 -6.034 1.00 0.00 C ATOM 1090 C ILE A 74 -3.564 2.156 -4.982 1.00 0.00 C ATOM 1091 O ILE A 74 -2.950 1.639 -4.055 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.444 2.060 -7.212 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.443 0.998 -6.757 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.868 2.883 -8.357 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.693 -0.368 -7.360 1.00 0.00 C ATOM 0 H ILE A 74 -1.085 2.989 -4.879 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.476 3.768 -6.410 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.342 1.556 -7.568 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.436 1.323 -7.020 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.479 0.918 -5.670 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.601 2.222 -9.182 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.611 3.605 -8.696 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.979 3.412 -8.014 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.945 -1.070 -6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.687 -0.715 -7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.628 -0.304 -8.446 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.877 2.034 -5.126 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.671 1.266 -4.174 1.00 0.00 C ATOM 1109 C VAL A 75 -6.020 -0.105 -4.735 1.00 0.00 C ATOM 1110 O VAL A 75 -6.381 -0.237 -5.905 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.967 2.009 -3.785 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.826 1.154 -2.861 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.634 3.340 -3.128 1.00 0.00 C ATOM 0 H VAL A 75 -5.412 2.453 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.061 1.141 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.538 2.202 -4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.734 1.699 -2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.092 0.226 -3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.267 0.925 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.557 3.854 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.041 3.164 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.065 3.957 -3.824 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.908 -1.127 -3.891 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.209 -2.489 -4.306 1.00 0.00 C ATOM 1125 C ILE A 76 -6.981 -3.238 -3.225 1.00 0.00 C ATOM 1126 O ILE A 76 -6.686 -3.116 -2.033 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.924 -3.271 -4.636 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.911 -3.138 -3.499 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.325 -2.780 -5.947 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.672 -3.986 -3.691 1.00 0.00 C ATOM 0 H ILE A 76 -5.612 -1.036 -2.919 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.824 -2.416 -5.203 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.179 -4.325 -4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.615 -2.093 -3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.391 -3.417 -2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.418 -3.343 -6.166 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.045 -2.925 -6.753 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.083 -1.721 -5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.998 -3.842 -2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.956 -5.037 -3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.169 -3.691 -4.612 1.00 0.00 H new