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 Set 1.1: A 11 LYS NZ :NH3+ 175:sc= -0.219 (180deg=-0.0644) USER MOD Set 1.2: A 49 GLN : amide:sc= -4.19! C(o=-4.4!,f=-6.8!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.488 K(o=-0.49,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= -0.846 (180deg=-0.899) USER MOD Single : A 22 ASN : amide:sc= -1.31 K(o=-1.3,f=-2!) 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= -21! C(o=-21!,f=-21!) USER MOD Single : A 33 LYS NZ :NH3+ -113:sc= -1.01 (180deg=-4.51!) USER MOD Single : A 37 SER OG : rot -162:sc= -0.194 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0962 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0.0106 (180deg=0.00786) USER MOD Single : A 58 ASN : amide:sc= -1.05 K(o=-1.1,f=-2.3!) USER MOD Single : A 61 THR OG1 : rot -84:sc= 1.06 USER MOD Single : A 67 LYS NZ :NH3+ -126:sc= 0.0305 (180deg=-0.0438) USER MOD Single : A 68 ASN : amide:sc= 0.081 X(o=0.081,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.123 -6.384 1.659 1.00 0.00 N ATOM 121 CA LEU A 9 -8.576 -5.233 2.355 1.00 0.00 C ATOM 122 C LEU A 9 -8.238 -4.137 1.364 1.00 0.00 C ATOM 123 O LEU A 9 -7.730 -4.407 0.277 1.00 0.00 O ATOM 124 CB LEU A 9 -7.328 -5.629 3.147 1.00 0.00 C ATOM 125 CG LEU A 9 -7.581 -6.568 4.328 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.268 -7.084 4.893 1.00 0.00 C ATOM 127 CD2 LEU A 9 -8.388 -5.860 5.407 1.00 0.00 C ATOM 0 HA LEU A 9 -9.326 -4.861 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.622 -6.106 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.850 -4.723 3.519 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.157 -7.422 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.470 -7.750 5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.728 -7.629 4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.663 -6.244 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.559 -6.542 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.838 -4.988 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.346 -5.542 4.995 1.00 0.00 H new ATOM 139 N TYR A 10 -8.512 -2.899 1.743 1.00 0.00 N ATOM 140 CA TYR A 10 -8.224 -1.773 0.880 1.00 0.00 C ATOM 141 C TYR A 10 -6.943 -1.093 1.322 1.00 0.00 C ATOM 142 O TYR A 10 -6.909 -0.402 2.341 1.00 0.00 O ATOM 143 CB TYR A 10 -9.389 -0.785 0.888 1.00 0.00 C ATOM 144 CG TYR A 10 -10.731 -1.443 0.644 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.077 -1.905 -0.617 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.646 -1.605 1.674 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.298 -2.512 -0.846 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.869 -2.210 1.455 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.190 -2.660 0.192 1.00 0.00 C ATOM 150 OH TYR A 10 -14.408 -3.261 -0.031 1.00 0.00 O ATOM 0 H TYR A 10 -8.932 -2.653 2.639 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.091 -2.135 -0.139 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.413 -0.270 1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.219 -0.027 0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.381 -1.789 -1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.398 -1.252 2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.551 -2.868 -1.834 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.569 -2.330 2.268 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.918 -3.288 0.806 1.00 0.00 H new ATOM 160 N LYS A 11 -5.887 -1.291 0.546 1.00 0.00 N ATOM 161 CA LYS A 11 -4.593 -0.691 0.855 1.00 0.00 C ATOM 162 C LYS A 11 -4.070 0.095 -0.340 1.00 0.00 C ATOM 163 O LYS A 11 -4.456 -0.164 -1.479 1.00 0.00 O ATOM 164 CB LYS A 11 -3.586 -1.771 1.251 1.00 0.00 C ATOM 165 CG LYS A 11 -4.137 -2.794 2.232 1.00 0.00 C ATOM 166 CD LYS A 11 -3.657 -4.199 1.901 1.00 0.00 C ATOM 167 CE LYS A 11 -3.744 -5.116 3.110 1.00 0.00 C ATOM 168 NZ LYS A 11 -2.666 -4.837 4.100 1.00 0.00 N ATOM 0 H LYS A 11 -5.898 -1.860 -0.300 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.724 -0.007 1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.249 -2.288 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.710 -1.294 1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.828 -2.532 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.227 -2.767 2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.258 -4.608 1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.627 -4.159 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.716 -4.994 3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.677 -6.154 2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.811 -5.425 4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.742 -5.059 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.692 -3.832 4.368 1.00 0.00 H new ATOM 182 N VAL A 12 -3.186 1.058 -0.082 1.00 0.00 N ATOM 183 CA VAL A 12 -2.622 1.864 -1.161 1.00 0.00 C ATOM 184 C VAL A 12 -1.162 1.483 -1.394 1.00 0.00 C ATOM 185 O VAL A 12 -0.424 1.246 -0.448 1.00 0.00 O ATOM 186 CB VAL A 12 -2.724 3.388 -0.879 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.115 4.138 -2.136 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.724 3.704 0.224 1.00 0.00 C ATOM 0 H VAL A 12 -2.849 1.296 0.851 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.209 1.655 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.738 3.711 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.181 5.204 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.363 3.972 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.082 3.779 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.760 4.781 0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.712 3.347 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.417 3.210 1.146 1.00 0.00 H new ATOM 198 N GLN A 13 -0.755 1.404 -2.658 1.00 0.00 N ATOM 199 CA GLN A 13 0.618 1.031 -2.999 1.00 0.00 C ATOM 200 C GLN A 13 1.217 2.002 -4.010 1.00 0.00 C ATOM 201 O GLN A 13 0.572 2.361 -4.996 1.00 0.00 O ATOM 202 CB GLN A 13 0.656 -0.393 -3.560 1.00 0.00 C ATOM 203 CG GLN A 13 2.061 -0.901 -3.837 1.00 0.00 C ATOM 204 CD GLN A 13 2.085 -2.364 -4.230 1.00 0.00 C ATOM 205 OE1 GLN A 13 1.065 -3.051 -4.176 1.00 0.00 O ATOM 206 NE2 GLN A 13 3.255 -2.852 -4.625 1.00 0.00 N ATOM 0 H GLN A 13 -1.353 1.592 -3.462 1.00 0.00 H new ATOM 0 HA GLN A 13 1.214 1.075 -2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.168 -1.066 -2.854 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.078 -0.426 -4.484 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.507 -0.307 -4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.677 -0.757 -2.949 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.076 -2.247 -4.655 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.333 -3.832 -4.899 1.00 0.00 H new ATOM 215 N ILE A 14 2.447 2.441 -3.753 1.00 0.00 N ATOM 216 CA ILE A 14 3.109 3.390 -4.640 1.00 0.00 C ATOM 217 C ILE A 14 4.218 2.751 -5.478 1.00 0.00 C ATOM 218 O ILE A 14 4.777 3.409 -6.356 1.00 0.00 O ATOM 219 CB ILE A 14 3.699 4.577 -3.860 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.620 4.068 -2.744 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.581 5.452 -3.313 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.153 4.394 -1.344 1.00 0.00 C ATOM 0 H ILE A 14 3.000 2.157 -2.945 1.00 0.00 H new ATOM 0 HA ILE A 14 2.330 3.743 -5.316 1.00 0.00 H new ATOM 0 HB ILE A 14 4.300 5.190 -4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.718 2.986 -2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.614 4.492 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.010 6.289 -2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.979 5.831 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.952 4.863 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.865 3.996 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.083 5.475 -1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.174 3.946 -1.174 1.00 0.00 H new ATOM 234 N GLY A 15 4.532 1.476 -5.236 1.00 0.00 N ATOM 235 CA GLY A 15 5.569 0.840 -6.034 1.00 0.00 C ATOM 236 C GLY A 15 6.206 -0.376 -5.387 1.00 0.00 C ATOM 237 O GLY A 15 5.936 -0.699 -4.231 1.00 0.00 O ATOM 0 H GLY A 15 4.101 0.888 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.142 0.544 -6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.348 1.573 -6.245 1.00 0.00 H new ATOM 241 N ALA A 16 7.085 -1.024 -6.150 1.00 0.00 N ATOM 242 CA ALA A 16 7.825 -2.195 -5.694 1.00 0.00 C ATOM 243 C ALA A 16 9.162 -2.269 -6.429 1.00 0.00 C ATOM 244 O ALA A 16 9.236 -1.946 -7.615 1.00 0.00 O ATOM 245 CB ALA A 16 7.017 -3.468 -5.911 1.00 0.00 C ATOM 0 H ALA A 16 7.304 -0.748 -7.107 1.00 0.00 H new ATOM 0 HA ALA A 16 8.011 -2.102 -4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.591 -4.327 -5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.083 -3.405 -5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.799 -3.584 -6.973 1.00 0.00 H new ATOM 251 N PHE A 17 10.219 -2.686 -5.739 1.00 0.00 N ATOM 252 CA PHE A 17 11.537 -2.783 -6.365 1.00 0.00 C ATOM 253 C PHE A 17 12.347 -3.926 -5.775 1.00 0.00 C ATOM 254 O PHE A 17 12.192 -4.271 -4.606 1.00 0.00 O ATOM 255 CB PHE A 17 12.308 -1.472 -6.201 1.00 0.00 C ATOM 256 CG PHE A 17 11.455 -0.244 -6.342 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.770 0.265 -5.252 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.343 0.401 -7.563 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.986 1.395 -5.378 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.560 1.532 -7.694 1.00 0.00 C ATOM 261 CZ PHE A 17 9.882 2.030 -6.600 1.00 0.00 C ATOM 0 H PHE A 17 10.192 -2.960 -4.757 1.00 0.00 H new ATOM 0 HA PHE A 17 11.381 -2.980 -7.426 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.784 -1.462 -5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.106 -1.436 -6.943 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.849 -0.226 -4.294 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.873 0.016 -8.421 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.454 1.782 -4.521 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.479 2.026 -8.651 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.271 2.915 -6.699 1.00 0.00 H new ATOM 271 N LYS A 18 13.222 -4.504 -6.589 1.00 0.00 N ATOM 272 CA LYS A 18 14.067 -5.607 -6.148 1.00 0.00 C ATOM 273 C LYS A 18 14.988 -5.184 -5.004 1.00 0.00 C ATOM 274 O LYS A 18 15.597 -6.029 -4.347 1.00 0.00 O ATOM 275 CB LYS A 18 14.901 -6.132 -7.318 1.00 0.00 C ATOM 276 CG LYS A 18 15.650 -5.041 -8.068 1.00 0.00 C ATOM 277 CD LYS A 18 16.890 -5.590 -8.756 1.00 0.00 C ATOM 278 CE LYS A 18 17.750 -4.473 -9.328 1.00 0.00 C ATOM 279 NZ LYS A 18 18.904 -5.006 -10.104 1.00 0.00 N ATOM 0 H LYS A 18 13.365 -4.226 -7.560 1.00 0.00 H new ATOM 0 HA LYS A 18 13.415 -6.400 -5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.618 -6.862 -6.943 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.246 -6.656 -8.014 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.991 -4.589 -8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.937 -4.252 -7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.475 -6.173 -8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.593 -6.268 -9.556 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.141 -3.839 -9.972 1.00 0.00 H new ATOM 0 HE3 LYS A 18 18.117 -3.845 -8.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 19.466 -4.215 -10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 19.499 -5.591 -9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.554 -5.585 -10.894 1.00 0.00 H new ATOM 293 N VAL A 19 15.102 -3.878 -4.773 1.00 0.00 N ATOM 294 CA VAL A 19 15.963 -3.367 -3.716 1.00 0.00 C ATOM 295 C VAL A 19 15.160 -2.838 -2.532 1.00 0.00 C ATOM 296 O VAL A 19 14.271 -2.002 -2.688 1.00 0.00 O ATOM 297 CB VAL A 19 16.879 -2.244 -4.235 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.910 -1.863 -3.185 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.555 -2.663 -5.530 1.00 0.00 C ATOM 0 H VAL A 19 14.610 -3.159 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 19 16.570 -4.209 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 19 16.265 -1.367 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.547 -1.068 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.402 -1.515 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.521 -2.732 -2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.199 -1.857 -5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.155 -3.556 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.797 -2.877 -6.283 1.00 0.00 H new ATOM 309 N LYS A 20 15.492 -3.334 -1.344 1.00 0.00 N ATOM 310 CA LYS A 20 14.828 -2.927 -0.116 1.00 0.00 C ATOM 311 C LYS A 20 15.157 -1.480 0.215 1.00 0.00 C ATOM 312 O LYS A 20 14.282 -0.714 0.610 1.00 0.00 O ATOM 313 CB LYS A 20 15.249 -3.833 1.041 1.00 0.00 C ATOM 314 CG LYS A 20 14.479 -3.577 2.328 1.00 0.00 C ATOM 315 CD LYS A 20 15.380 -3.018 3.418 1.00 0.00 C ATOM 316 CE LYS A 20 15.295 -1.503 3.489 1.00 0.00 C ATOM 317 NZ LYS A 20 15.671 -0.988 4.834 1.00 0.00 N ATOM 0 H LYS A 20 16.227 -4.028 -1.208 1.00 0.00 H new ATOM 0 HA LYS A 20 13.752 -3.017 -0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.111 -4.873 0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.313 -3.695 1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.666 -2.878 2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.025 -4.506 2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.096 -3.445 4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.411 -3.317 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.952 -1.067 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.280 -1.185 3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.699 0.051 4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.969 -1.301 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.609 -1.354 5.096 1.00 0.00 H new ATOM 331 N ALA A 21 16.422 -1.101 0.043 1.00 0.00 N ATOM 332 CA ALA A 21 16.844 0.266 0.313 1.00 0.00 C ATOM 333 C ALA A 21 16.010 1.240 -0.506 1.00 0.00 C ATOM 334 O ALA A 21 15.727 2.359 -0.072 1.00 0.00 O ATOM 335 CB ALA A 21 18.324 0.437 0.003 1.00 0.00 C ATOM 0 H ALA A 21 17.166 -1.719 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 21 16.690 0.479 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.623 1.465 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.907 -0.243 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.504 0.212 -1.048 1.00 0.00 H new ATOM 341 N ASN A 22 15.595 0.790 -1.686 1.00 0.00 N ATOM 342 CA ASN A 22 14.766 1.600 -2.561 1.00 0.00 C ATOM 343 C ASN A 22 13.329 1.575 -2.065 1.00 0.00 C ATOM 344 O ASN A 22 12.611 2.571 -2.152 1.00 0.00 O ATOM 345 CB ASN A 22 14.839 1.084 -3.999 1.00 0.00 C ATOM 346 CG ASN A 22 16.174 1.382 -4.652 1.00 0.00 C ATOM 347 OD1 ASN A 22 16.893 2.291 -4.236 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.513 0.616 -5.682 1.00 0.00 N ATOM 0 H ASN A 22 15.822 -0.133 -2.056 1.00 0.00 H new ATOM 0 HA ASN A 22 15.134 2.626 -2.548 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.667 0.008 -4.005 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.041 1.538 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.400 0.770 -6.162 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.887 -0.126 -5.993 1.00 0.00 H new ATOM 355 N ALA A 23 12.918 0.429 -1.524 1.00 0.00 N ATOM 356 CA ALA A 23 11.566 0.285 -0.997 1.00 0.00 C ATOM 357 C ALA A 23 11.412 1.042 0.324 1.00 0.00 C ATOM 358 O ALA A 23 10.299 1.351 0.748 1.00 0.00 O ATOM 359 CB ALA A 23 11.219 -1.185 -0.813 1.00 0.00 C ATOM 0 H ALA A 23 13.498 -0.406 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 23 10.873 0.717 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.207 -1.273 -0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.280 -1.696 -1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.921 -1.640 -0.114 1.00 0.00 H new ATOM 365 N ASP A 24 12.542 1.343 0.963 1.00 0.00 N ATOM 366 CA ASP A 24 12.541 2.066 2.229 1.00 0.00 C ATOM 367 C ASP A 24 12.485 3.569 1.985 1.00 0.00 C ATOM 368 O ASP A 24 11.811 4.300 2.710 1.00 0.00 O ATOM 369 CB ASP A 24 13.786 1.709 3.045 1.00 0.00 C ATOM 370 CG ASP A 24 13.451 0.920 4.294 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.623 -0.013 4.203 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.015 1.231 5.363 1.00 0.00 O ATOM 0 H ASP A 24 13.471 1.096 0.622 1.00 0.00 H new ATOM 0 HA ASP A 24 11.656 1.773 2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.470 1.129 2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.308 2.624 3.326 1.00 0.00 H new ATOM 377 N SER A 25 13.179 4.020 0.946 1.00 0.00 N ATOM 378 CA SER A 25 13.183 5.434 0.597 1.00 0.00 C ATOM 379 C SER A 25 11.783 5.851 0.166 1.00 0.00 C ATOM 380 O SER A 25 11.314 6.946 0.482 1.00 0.00 O ATOM 381 CB SER A 25 14.186 5.707 -0.526 1.00 0.00 C ATOM 382 OG SER A 25 14.979 6.847 -0.237 1.00 0.00 O ATOM 0 H SER A 25 13.743 3.430 0.334 1.00 0.00 H new ATOM 0 HA SER A 25 13.482 6.016 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.829 4.838 -0.662 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.653 5.859 -1.465 1.00 0.00 H new ATOM 0 HG SER A 25 15.613 6.999 -0.969 1.00 0.00 H new ATOM 388 N LEU A 26 11.117 4.947 -0.543 1.00 0.00 N ATOM 389 CA LEU A 26 9.762 5.180 -1.013 1.00 0.00 C ATOM 390 C LEU A 26 8.803 5.266 0.171 1.00 0.00 C ATOM 391 O LEU A 26 8.040 6.226 0.307 1.00 0.00 O ATOM 392 CB LEU A 26 9.347 4.050 -1.957 1.00 0.00 C ATOM 393 CG LEU A 26 7.956 4.186 -2.579 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.868 5.432 -3.445 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.623 2.949 -3.395 1.00 0.00 C ATOM 0 H LEU A 26 11.500 4.039 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 26 9.725 6.126 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.080 3.985 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.390 3.109 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 26 7.229 4.282 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.869 5.506 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.066 6.314 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.605 5.371 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.631 3.058 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.359 2.829 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.640 2.071 -2.749 1.00 0.00 H new ATOM 407 N ALA A 27 8.862 4.261 1.041 1.00 0.00 N ATOM 408 CA ALA A 27 8.017 4.231 2.227 1.00 0.00 C ATOM 409 C ALA A 27 8.247 5.476 3.080 1.00 0.00 C ATOM 410 O ALA A 27 7.381 5.884 3.854 1.00 0.00 O ATOM 411 CB ALA A 27 8.288 2.972 3.038 1.00 0.00 C ATOM 0 H ALA A 27 9.485 3.459 0.946 1.00 0.00 H new ATOM 0 HA ALA A 27 6.975 4.221 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.649 2.964 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.076 2.094 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.333 2.956 3.346 1.00 0.00 H new ATOM 417 N SER A 28 9.424 6.076 2.924 1.00 0.00 N ATOM 418 CA SER A 28 9.777 7.278 3.665 1.00 0.00 C ATOM 419 C SER A 28 9.012 8.485 3.128 1.00 0.00 C ATOM 420 O SER A 28 8.530 9.317 3.896 1.00 0.00 O ATOM 421 CB SER A 28 11.284 7.535 3.582 1.00 0.00 C ATOM 422 OG SER A 28 11.956 6.995 4.705 1.00 0.00 O ATOM 0 H SER A 28 10.150 5.746 2.288 1.00 0.00 H new ATOM 0 HA SER A 28 9.502 7.127 4.709 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.682 7.092 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.470 8.607 3.524 1.00 0.00 H new ATOM 0 HG SER A 28 12.917 7.171 4.627 1.00 0.00 H new ATOM 428 N ASN A 29 8.897 8.566 1.806 1.00 0.00 N ATOM 429 CA ASN A 29 8.182 9.668 1.173 1.00 0.00 C ATOM 430 C ASN A 29 6.736 9.713 1.651 1.00 0.00 C ATOM 431 O ASN A 29 6.221 10.772 2.009 1.00 0.00 O ATOM 432 CB ASN A 29 8.246 9.544 -0.358 1.00 0.00 C ATOM 433 CG ASN A 29 7.110 8.731 -0.956 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.936 9.056 -0.786 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.457 7.676 -1.672 1.00 0.00 N ATOM 0 H ASN A 29 9.288 7.885 1.155 1.00 0.00 H new ATOM 0 HA ASN A 29 8.665 10.602 1.460 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.235 10.543 -0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.195 9.085 -0.637 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.739 7.097 -2.108 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.443 7.441 -1.789 1.00 0.00 H new ATOM 442 N ALA A 30 6.087 8.554 1.652 1.00 0.00 N ATOM 443 CA ALA A 30 4.702 8.464 2.084 1.00 0.00 C ATOM 444 C ALA A 30 4.568 8.873 3.542 1.00 0.00 C ATOM 445 O ALA A 30 3.620 9.561 3.922 1.00 0.00 O ATOM 446 CB ALA A 30 4.174 7.056 1.876 1.00 0.00 C ATOM 0 H ALA A 30 6.498 7.668 1.359 1.00 0.00 H new ATOM 0 HA ALA A 30 4.108 9.150 1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.136 7.005 2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.234 6.798 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.773 6.353 2.456 1.00 0.00 H new ATOM 452 N GLU A 31 5.526 8.449 4.358 1.00 0.00 N ATOM 453 CA GLU A 31 5.517 8.775 5.778 1.00 0.00 C ATOM 454 C GLU A 31 5.440 10.286 5.973 1.00 0.00 C ATOM 455 O GLU A 31 4.775 10.775 6.888 1.00 0.00 O ATOM 456 CB GLU A 31 6.768 8.215 6.458 1.00 0.00 C ATOM 457 CG GLU A 31 6.874 8.572 7.932 1.00 0.00 C ATOM 458 CD GLU A 31 7.471 7.452 8.762 1.00 0.00 C ATOM 459 OE1 GLU A 31 6.732 6.504 9.098 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.677 7.523 9.076 1.00 0.00 O ATOM 0 H GLU A 31 6.318 7.879 4.060 1.00 0.00 H new ATOM 0 HA GLU A 31 4.638 8.320 6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.772 7.130 6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.651 8.588 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.486 9.467 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.883 8.815 8.315 1.00 0.00 H new ATOM 467 N ALA A 32 6.120 11.018 5.097 1.00 0.00 N ATOM 468 CA ALA A 32 6.131 12.474 5.149 1.00 0.00 C ATOM 469 C ALA A 32 4.709 13.015 5.144 1.00 0.00 C ATOM 470 O ALA A 32 4.333 13.815 5.999 1.00 0.00 O ATOM 471 CB ALA A 32 6.925 13.041 3.981 1.00 0.00 C ATOM 0 H ALA A 32 6.674 10.622 4.338 1.00 0.00 H new ATOM 0 HA ALA A 32 6.614 12.785 6.075 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.924 14.130 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.951 12.677 4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.470 12.723 3.043 1.00 0.00 H new ATOM 477 N LYS A 33 3.910 12.550 4.186 1.00 0.00 N ATOM 478 CA LYS A 33 2.521 12.973 4.099 1.00 0.00 C ATOM 479 C LYS A 33 1.787 12.538 5.359 1.00 0.00 C ATOM 480 O LYS A 33 0.827 13.176 5.791 1.00 0.00 O ATOM 481 CB LYS A 33 1.848 12.371 2.866 1.00 0.00 C ATOM 482 CG LYS A 33 2.402 12.901 1.553 1.00 0.00 C ATOM 483 CD LYS A 33 2.142 14.392 1.398 1.00 0.00 C ATOM 484 CE LYS A 33 3.407 15.145 1.017 1.00 0.00 C ATOM 485 NZ LYS A 33 3.169 16.119 -0.083 1.00 0.00 N ATOM 0 H LYS A 33 4.200 11.887 3.467 1.00 0.00 H new ATOM 0 HA LYS A 33 2.485 14.059 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.966 11.288 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.778 12.576 2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.474 12.711 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.947 12.363 0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.380 14.551 0.636 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.747 14.792 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.792 15.672 1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.174 14.433 0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.679 15.811 -0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.151 16.169 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.511 17.058 0.205 1.00 0.00 H new ATOM 499 N GLY A 34 2.271 11.450 5.953 1.00 0.00 N ATOM 500 CA GLY A 34 1.688 10.939 7.170 1.00 0.00 C ATOM 501 C GLY A 34 0.938 9.641 6.954 1.00 0.00 C ATOM 502 O GLY A 34 -0.050 9.365 7.634 1.00 0.00 O ATOM 0 H GLY A 34 3.065 10.913 5.604 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.475 10.782 7.908 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.008 11.683 7.584 1.00 0.00 H new ATOM 506 N PHE A 35 1.416 8.841 6.009 1.00 0.00 N ATOM 507 CA PHE A 35 0.791 7.564 5.710 1.00 0.00 C ATOM 508 C PHE A 35 1.558 6.421 6.357 1.00 0.00 C ATOM 509 O PHE A 35 2.753 6.533 6.625 1.00 0.00 O ATOM 510 CB PHE A 35 0.726 7.361 4.200 1.00 0.00 C ATOM 511 CG PHE A 35 0.223 8.567 3.462 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.701 9.422 4.043 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.682 8.846 2.190 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.155 10.534 3.366 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.233 9.962 1.506 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.687 10.805 2.095 1.00 0.00 C ATOM 0 H PHE A 35 2.234 9.056 5.438 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.220 7.570 6.117 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.719 7.106 3.831 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.077 6.513 3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.069 9.215 5.037 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.399 8.186 1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.875 11.192 3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.602 10.173 0.513 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.041 11.676 1.563 1.00 0.00 H new ATOM 526 N ASP A 36 0.862 5.318 6.587 1.00 0.00 N ATOM 527 CA ASP A 36 1.480 4.147 7.184 1.00 0.00 C ATOM 528 C ASP A 36 2.157 3.317 6.103 1.00 0.00 C ATOM 529 O ASP A 36 1.520 2.476 5.468 1.00 0.00 O ATOM 530 CB ASP A 36 0.435 3.305 7.917 1.00 0.00 C ATOM 531 CG ASP A 36 -0.164 4.032 9.104 1.00 0.00 C ATOM 532 OD1 ASP A 36 0.438 3.983 10.197 1.00 0.00 O ATOM 533 OD2 ASP A 36 -1.236 4.651 8.941 1.00 0.00 O ATOM 0 H ASP A 36 -0.129 5.211 6.369 1.00 0.00 H new ATOM 0 HA ASP A 36 2.228 4.473 7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.360 3.032 7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.894 2.377 8.257 1.00 0.00 H new ATOM 538 N SER A 37 3.442 3.571 5.874 1.00 0.00 N ATOM 539 CA SER A 37 4.176 2.854 4.844 1.00 0.00 C ATOM 540 C SER A 37 4.608 1.486 5.340 1.00 0.00 C ATOM 541 O SER A 37 4.692 1.242 6.543 1.00 0.00 O ATOM 542 CB SER A 37 5.398 3.661 4.400 1.00 0.00 C ATOM 543 OG SER A 37 6.319 3.821 5.466 1.00 0.00 O ATOM 0 H SER A 37 3.990 4.263 6.385 1.00 0.00 H new ATOM 0 HA SER A 37 3.513 2.717 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.887 3.158 3.566 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.080 4.639 4.040 1.00 0.00 H new ATOM 0 HG SER A 37 6.933 4.556 5.260 1.00 0.00 H new ATOM 549 N ILE A 38 4.854 0.588 4.399 1.00 0.00 N ATOM 550 CA ILE A 38 5.244 -0.775 4.724 1.00 0.00 C ATOM 551 C ILE A 38 5.954 -1.430 3.543 1.00 0.00 C ATOM 552 O ILE A 38 5.588 -1.212 2.388 1.00 0.00 O ATOM 553 CB ILE A 38 3.999 -1.603 5.108 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.289 -3.108 5.041 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.834 -1.236 4.197 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.547 -3.913 6.085 1.00 0.00 C ATOM 0 H ILE A 38 4.790 0.780 3.399 1.00 0.00 H new ATOM 0 HA ILE A 38 5.932 -0.743 5.569 1.00 0.00 H new ATOM 0 HB ILE A 38 3.732 -1.367 6.138 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.022 -3.478 4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.360 -3.269 5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.958 -1.823 4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.608 -0.175 4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.101 -1.447 3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.800 -4.968 5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.832 -3.570 7.080 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.473 -3.782 5.950 1.00 0.00 H new ATOM 568 N VAL A 39 6.971 -2.232 3.839 1.00 0.00 N ATOM 569 CA VAL A 39 7.726 -2.916 2.797 1.00 0.00 C ATOM 570 C VAL A 39 7.689 -4.427 2.989 1.00 0.00 C ATOM 571 O VAL A 39 8.096 -4.935 4.035 1.00 0.00 O ATOM 572 CB VAL A 39 9.192 -2.448 2.765 1.00 0.00 C ATOM 573 CG1 VAL A 39 9.929 -3.073 1.591 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.269 -0.929 2.704 1.00 0.00 C ATOM 0 H VAL A 39 7.290 -2.424 4.789 1.00 0.00 H new ATOM 0 HA VAL A 39 7.252 -2.664 1.849 1.00 0.00 H new ATOM 0 HB VAL A 39 9.677 -2.777 3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 39 10.963 -2.729 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.908 -4.159 1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.445 -2.779 0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.314 -0.618 2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.766 -0.575 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.782 -0.504 3.582 1.00 0.00 H new ATOM 584 N LEU A 40 7.207 -5.148 1.978 1.00 0.00 N ATOM 585 CA LEU A 40 7.131 -6.603 2.054 1.00 0.00 C ATOM 586 C LEU A 40 8.059 -7.238 1.027 1.00 0.00 C ATOM 587 O LEU A 40 7.980 -6.942 -0.166 1.00 0.00 O ATOM 588 CB LEU A 40 5.687 -7.079 1.841 1.00 0.00 C ATOM 589 CG LEU A 40 5.527 -8.414 1.098 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.392 -9.497 1.726 1.00 0.00 C ATOM 591 CD2 LEU A 40 4.065 -8.836 1.078 1.00 0.00 C ATOM 0 H LEU A 40 6.866 -4.750 1.103 1.00 0.00 H new ATOM 0 HA LEU A 40 7.452 -6.914 3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.206 -7.167 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.149 -6.310 1.288 1.00 0.00 H new ATOM 0 HG LEU A 40 5.862 -8.274 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.259 -10.431 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.439 -9.197 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.098 -9.640 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.967 -9.784 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.706 -8.953 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.473 -8.074 0.571 1.00 0.00 H new ATOM 682 N TYR A 46 10.663 -6.142 -3.598 1.00 0.00 N ATOM 683 CA TYR A 46 10.197 -5.479 -2.385 1.00 0.00 C ATOM 684 C TYR A 46 9.050 -4.535 -2.732 1.00 0.00 C ATOM 685 O TYR A 46 9.159 -3.732 -3.658 1.00 0.00 O ATOM 686 CB TYR A 46 11.330 -4.695 -1.718 1.00 0.00 C ATOM 687 CG TYR A 46 12.277 -5.560 -0.920 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.150 -6.431 -1.556 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.295 -5.510 0.468 1.00 0.00 C ATOM 690 CE1 TYR A 46 14.013 -7.228 -0.831 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.158 -6.302 1.199 1.00 0.00 C ATOM 692 CZ TYR A 46 14.014 -7.159 0.546 1.00 0.00 C ATOM 693 OH TYR A 46 14.874 -7.953 1.270 1.00 0.00 O ATOM 0 HA TYR A 46 9.851 -6.239 -1.685 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.895 -4.165 -2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.900 -3.940 -1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.154 -6.486 -2.635 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.623 -4.840 0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.685 -7.903 -1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.161 -6.249 2.278 1.00 0.00 H new ATOM 0 HH TYR A 46 14.749 -7.782 2.227 1.00 0.00 H new ATOM 703 N LYS A 47 7.949 -4.641 -2.001 1.00 0.00 N ATOM 704 CA LYS A 47 6.788 -3.800 -2.257 1.00 0.00 C ATOM 705 C LYS A 47 6.662 -2.686 -1.235 1.00 0.00 C ATOM 706 O LYS A 47 7.016 -2.854 -0.073 1.00 0.00 O ATOM 707 CB LYS A 47 5.516 -4.644 -2.264 1.00 0.00 C ATOM 708 CG LYS A 47 5.222 -5.259 -3.615 1.00 0.00 C ATOM 709 CD LYS A 47 6.283 -6.272 -3.998 1.00 0.00 C ATOM 710 CE LYS A 47 6.068 -7.599 -3.297 1.00 0.00 C ATOM 711 NZ LYS A 47 5.309 -8.560 -4.143 1.00 0.00 N ATOM 0 H LYS A 47 7.835 -5.298 -1.229 1.00 0.00 H new ATOM 0 HA LYS A 47 6.926 -3.341 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.609 -5.437 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.673 -4.023 -1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.245 -5.742 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.173 -4.476 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.269 -6.424 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.268 -5.881 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.034 -8.031 -3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.529 -7.433 -2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.184 -9.454 -3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.377 -8.160 -4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.835 -8.739 -5.022 1.00 0.00 H new ATOM 725 N VAL A 48 6.150 -1.551 -1.686 1.00 0.00 N ATOM 726 CA VAL A 48 5.964 -0.394 -0.826 1.00 0.00 C ATOM 727 C VAL A 48 4.495 0.020 -0.787 1.00 0.00 C ATOM 728 O VAL A 48 3.972 0.591 -1.745 1.00 0.00 O ATOM 729 CB VAL A 48 6.833 0.781 -1.302 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.579 2.027 -0.461 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.304 0.392 -1.266 1.00 0.00 C ATOM 0 H VAL A 48 5.854 -1.407 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 48 6.273 -0.670 0.182 1.00 0.00 H new ATOM 0 HB VAL A 48 6.560 1.017 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.207 2.842 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.531 2.314 -0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.818 1.817 0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.911 1.232 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.586 0.129 -0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.470 -0.464 -1.921 1.00 0.00 H new ATOM 741 N GLN A 49 3.836 -0.287 0.326 1.00 0.00 N ATOM 742 CA GLN A 49 2.424 0.035 0.499 1.00 0.00 C ATOM 743 C GLN A 49 2.224 1.108 1.564 1.00 0.00 C ATOM 744 O GLN A 49 2.909 1.119 2.587 1.00 0.00 O ATOM 745 CB GLN A 49 1.652 -1.232 0.879 1.00 0.00 C ATOM 746 CG GLN A 49 0.148 -1.116 0.695 1.00 0.00 C ATOM 747 CD GLN A 49 -0.587 -2.365 1.136 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.974 -3.197 0.314 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.783 -2.507 2.442 1.00 0.00 N ATOM 0 H GLN A 49 4.259 -0.760 1.124 1.00 0.00 H new ATOM 0 HA GLN A 49 2.045 0.428 -0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.019 -2.063 0.277 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.863 -1.475 1.920 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.220 -0.262 1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.073 -0.920 -0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.446 -1.794 3.089 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.270 -3.329 2.798 1.00 0.00 H new ATOM 758 N ILE A 50 1.271 2.006 1.320 1.00 0.00 N ATOM 759 CA ILE A 50 0.969 3.078 2.257 1.00 0.00 C ATOM 760 C ILE A 50 -0.535 3.246 2.451 1.00 0.00 C ATOM 761 O ILE A 50 -1.287 3.454 1.502 1.00 0.00 O ATOM 762 CB ILE A 50 1.605 4.406 1.822 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.274 4.734 0.363 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.107 4.324 2.030 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.211 5.794 0.208 1.00 0.00 C ATOM 0 H ILE A 50 0.695 2.009 0.478 1.00 0.00 H new ATOM 0 HA ILE A 50 1.405 2.793 3.214 1.00 0.00 H new ATOM 0 HB ILE A 50 1.195 5.212 2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.182 5.065 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.944 3.825 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.569 5.263 1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.319 4.142 3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.513 3.508 1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.029 5.974 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.711 5.457 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.546 6.717 0.681 1.00 0.00 H new ATOM 777 N GLY A 51 -0.949 3.154 3.708 1.00 0.00 N ATOM 778 CA GLY A 51 -2.349 3.298 4.061 1.00 0.00 C ATOM 779 C GLY A 51 -3.147 2.028 3.837 1.00 0.00 C ATOM 780 O GLY A 51 -3.447 1.669 2.698 1.00 0.00 O ATOM 0 H GLY A 51 -0.330 2.980 4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.426 3.590 5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.786 4.104 3.472 1.00 0.00 H new ATOM 784 N ALA A 52 -3.499 1.353 4.925 1.00 0.00 N ATOM 785 CA ALA A 52 -4.276 0.121 4.848 1.00 0.00 C ATOM 786 C ALA A 52 -5.481 0.191 5.779 1.00 0.00 C ATOM 787 O ALA A 52 -5.329 0.314 6.995 1.00 0.00 O ATOM 788 CB ALA A 52 -3.405 -1.075 5.195 1.00 0.00 C ATOM 0 H ALA A 52 -3.258 1.639 5.874 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.637 0.002 3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.998 -1.987 5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.573 -1.135 4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.018 -0.962 6.208 1.00 0.00 H new ATOM 794 N PHE A 53 -6.677 0.128 5.204 1.00 0.00 N ATOM 795 CA PHE A 53 -7.902 0.200 5.995 1.00 0.00 C ATOM 796 C PHE A 53 -8.930 -0.823 5.524 1.00 0.00 C ATOM 797 O PHE A 53 -8.770 -1.451 4.476 1.00 0.00 O ATOM 798 CB PHE A 53 -8.503 1.607 5.919 1.00 0.00 C ATOM 799 CG PHE A 53 -7.476 2.702 5.847 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.750 2.910 4.685 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.237 3.522 6.937 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.804 3.915 4.613 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.293 4.529 6.871 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.576 4.726 5.708 1.00 0.00 C ATOM 0 H PHE A 53 -6.825 0.028 4.200 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.641 -0.028 7.029 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.149 1.669 5.043 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.134 1.770 6.793 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.925 2.280 3.826 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.795 3.373 7.850 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.244 4.066 3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.116 5.161 7.729 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.838 5.513 5.654 1.00 0.00 H new ATOM 814 N SER A 54 -9.994 -0.974 6.309 1.00 0.00 N ATOM 815 CA SER A 54 -11.062 -1.909 5.982 1.00 0.00 C ATOM 816 C SER A 54 -12.012 -1.312 4.945 1.00 0.00 C ATOM 817 O SER A 54 -12.780 -2.034 4.310 1.00 0.00 O ATOM 818 CB SER A 54 -11.840 -2.285 7.245 1.00 0.00 C ATOM 819 OG SER A 54 -11.789 -1.245 8.205 1.00 0.00 O ATOM 0 H SER A 54 -10.138 -0.459 7.177 1.00 0.00 H new ATOM 0 HA SER A 54 -10.610 -2.806 5.559 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.878 -2.495 6.987 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.426 -3.199 7.672 1.00 0.00 H new ATOM 0 HG SER A 54 -12.295 -1.510 9.001 1.00 0.00 H new ATOM 825 N SER A 55 -11.954 0.008 4.777 1.00 0.00 N ATOM 826 CA SER A 55 -12.811 0.695 3.815 1.00 0.00 C ATOM 827 C SER A 55 -11.983 1.312 2.689 1.00 0.00 C ATOM 828 O SER A 55 -10.984 1.988 2.935 1.00 0.00 O ATOM 829 CB SER A 55 -13.632 1.780 4.515 1.00 0.00 C ATOM 830 OG SER A 55 -14.960 1.811 4.022 1.00 0.00 O ATOM 0 H SER A 55 -11.324 0.621 5.294 1.00 0.00 H new ATOM 0 HA SER A 55 -13.489 -0.040 3.381 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.644 1.596 5.589 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.161 2.751 4.363 1.00 0.00 H new ATOM 0 HG SER A 55 -15.465 2.511 4.486 1.00 0.00 H new ATOM 836 N LYS A 56 -12.407 1.072 1.452 1.00 0.00 N ATOM 837 CA LYS A 56 -11.713 1.601 0.284 1.00 0.00 C ATOM 838 C LYS A 56 -11.619 3.120 0.335 1.00 0.00 C ATOM 839 O LYS A 56 -10.607 3.700 -0.060 1.00 0.00 O ATOM 840 CB LYS A 56 -12.414 1.175 -0.999 1.00 0.00 C ATOM 841 CG LYS A 56 -11.663 1.595 -2.248 1.00 0.00 C ATOM 842 CD LYS A 56 -11.747 0.531 -3.326 1.00 0.00 C ATOM 843 CE LYS A 56 -13.171 0.346 -3.822 1.00 0.00 C ATOM 844 NZ LYS A 56 -13.506 -1.089 -4.034 1.00 0.00 N ATOM 0 H LYS A 56 -13.231 0.512 1.233 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.703 1.191 0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.533 0.092 -1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.415 1.606 -1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.075 2.531 -2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.618 1.783 -2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.104 0.807 -4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.372 -0.415 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.865 0.778 -3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.303 0.891 -4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.501 -1.174 -4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.894 -1.482 -4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.357 -1.615 -3.149 1.00 0.00 H new ATOM 858 N ASP A 57 -12.680 3.763 0.820 1.00 0.00 N ATOM 859 CA ASP A 57 -12.715 5.221 0.916 1.00 0.00 C ATOM 860 C ASP A 57 -11.418 5.757 1.512 1.00 0.00 C ATOM 861 O ASP A 57 -10.959 6.843 1.160 1.00 0.00 O ATOM 862 CB ASP A 57 -13.904 5.666 1.767 1.00 0.00 C ATOM 863 CG ASP A 57 -14.517 6.962 1.269 1.00 0.00 C ATOM 864 OD1 ASP A 57 -14.644 7.125 0.037 1.00 0.00 O ATOM 865 OD2 ASP A 57 -14.871 7.814 2.112 1.00 0.00 O ATOM 0 H ASP A 57 -13.525 3.298 1.152 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.825 5.626 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.663 4.883 1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.581 5.793 2.800 1.00 0.00 H new ATOM 870 N ASN A 58 -10.832 4.977 2.414 1.00 0.00 N ATOM 871 CA ASN A 58 -9.584 5.362 3.060 1.00 0.00 C ATOM 872 C ASN A 58 -8.423 5.265 2.075 1.00 0.00 C ATOM 873 O ASN A 58 -7.633 6.199 1.938 1.00 0.00 O ATOM 874 CB ASN A 58 -9.317 4.471 4.276 1.00 0.00 C ATOM 875 CG ASN A 58 -10.424 4.555 5.307 1.00 0.00 C ATOM 876 OD1 ASN A 58 -11.436 3.861 5.205 1.00 0.00 O ATOM 877 ND2 ASN A 58 -10.239 5.407 6.309 1.00 0.00 N ATOM 0 H ASN A 58 -11.202 4.075 2.714 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.674 6.395 3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.207 3.437 3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.373 4.762 4.736 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.951 5.505 7.033 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.385 5.963 6.355 1.00 0.00 H new ATOM 884 N ALA A 59 -8.334 4.132 1.389 1.00 0.00 N ATOM 885 CA ALA A 59 -7.281 3.905 0.409 1.00 0.00 C ATOM 886 C ALA A 59 -7.307 4.969 -0.679 1.00 0.00 C ATOM 887 O ALA A 59 -6.265 5.492 -1.067 1.00 0.00 O ATOM 888 CB ALA A 59 -7.429 2.523 -0.203 1.00 0.00 C ATOM 0 H ALA A 59 -8.983 3.352 1.495 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.320 3.968 0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.637 2.362 -0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.358 1.769 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.399 2.445 -0.695 1.00 0.00 H new ATOM 894 N ASP A 60 -8.498 5.282 -1.176 1.00 0.00 N ATOM 895 CA ASP A 60 -8.649 6.282 -2.226 1.00 0.00 C ATOM 896 C ASP A 60 -8.090 7.632 -1.787 1.00 0.00 C ATOM 897 O ASP A 60 -7.276 8.234 -2.487 1.00 0.00 O ATOM 898 CB ASP A 60 -10.122 6.428 -2.610 1.00 0.00 C ATOM 899 CG ASP A 60 -10.637 5.237 -3.393 1.00 0.00 C ATOM 900 OD1 ASP A 60 -10.129 4.117 -3.172 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.547 5.423 -4.228 1.00 0.00 O ATOM 0 H ASP A 60 -9.373 4.858 -0.869 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.083 5.944 -3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.719 6.551 -1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.252 7.333 -3.204 1.00 0.00 H new ATOM 906 N THR A 61 -8.533 8.106 -0.626 1.00 0.00 N ATOM 907 CA THR A 61 -8.073 9.386 -0.101 1.00 0.00 C ATOM 908 C THR A 61 -6.561 9.390 0.088 1.00 0.00 C ATOM 909 O THR A 61 -5.905 10.411 -0.112 1.00 0.00 O ATOM 910 CB THR A 61 -8.767 9.701 1.227 1.00 0.00 C ATOM 911 OG1 THR A 61 -9.281 8.519 1.818 1.00 0.00 O ATOM 912 CG2 THR A 61 -9.912 10.680 1.085 1.00 0.00 C ATOM 0 H THR A 61 -9.208 7.624 -0.033 1.00 0.00 H new ATOM 0 HA THR A 61 -8.330 10.157 -0.828 1.00 0.00 H new ATOM 0 HB THR A 61 -7.999 10.153 1.855 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.161 8.318 1.436 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.360 10.860 2.062 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.539 11.620 0.678 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.663 10.266 0.412 1.00 0.00 H new ATOM 920 N LEU A 62 -6.010 8.240 0.460 1.00 0.00 N ATOM 921 CA LEU A 62 -4.574 8.102 0.664 1.00 0.00 C ATOM 922 C LEU A 62 -3.855 8.169 -0.655 1.00 0.00 C ATOM 923 O LEU A 62 -2.891 8.913 -0.829 1.00 0.00 O ATOM 924 CB LEU A 62 -4.257 6.738 1.265 1.00 0.00 C ATOM 925 CG LEU A 62 -3.031 6.701 2.175 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.866 7.418 1.518 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.352 7.323 3.526 1.00 0.00 C ATOM 0 H LEU A 62 -6.541 7.385 0.627 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.255 8.906 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.123 6.398 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.109 6.026 0.453 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.748 5.661 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.999 7.384 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.623 6.929 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.138 8.457 1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.467 7.288 4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.658 8.360 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.161 6.767 3.999 1.00 0.00 H new ATOM 939 N ALA A 63 -4.323 7.340 -1.571 1.00 0.00 N ATOM 940 CA ALA A 63 -3.725 7.248 -2.873 1.00 0.00 C ATOM 941 C ALA A 63 -3.656 8.616 -3.541 1.00 0.00 C ATOM 942 O ALA A 63 -2.577 9.102 -3.875 1.00 0.00 O ATOM 943 CB ALA A 63 -4.483 6.257 -3.744 1.00 0.00 C ATOM 0 H ALA A 63 -5.121 6.721 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.705 6.884 -2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.013 6.202 -4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.463 5.272 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.517 6.585 -3.854 1.00 0.00 H new ATOM 949 N ALA A 64 -4.822 9.238 -3.718 1.00 0.00 N ATOM 950 CA ALA A 64 -4.899 10.558 -4.328 1.00 0.00 C ATOM 951 C ALA A 64 -3.948 11.519 -3.628 1.00 0.00 C ATOM 952 O ALA A 64 -3.313 12.361 -4.266 1.00 0.00 O ATOM 953 CB ALA A 64 -6.324 11.087 -4.276 1.00 0.00 C ATOM 0 H ALA A 64 -5.724 8.846 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.602 10.475 -5.373 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.363 12.074 -4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.984 10.409 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.648 11.158 -3.238 1.00 0.00 H new ATOM 959 N ARG A 65 -3.838 11.369 -2.311 1.00 0.00 N ATOM 960 CA ARG A 65 -2.947 12.202 -1.521 1.00 0.00 C ATOM 961 C ARG A 65 -1.502 11.934 -1.920 1.00 0.00 C ATOM 962 O ARG A 65 -0.686 12.852 -1.999 1.00 0.00 O ATOM 963 CB ARG A 65 -3.142 11.915 -0.034 1.00 0.00 C ATOM 964 CG ARG A 65 -2.909 13.120 0.860 1.00 0.00 C ATOM 965 CD ARG A 65 -3.423 12.867 2.267 1.00 0.00 C ATOM 966 NE ARG A 65 -4.262 13.962 2.750 1.00 0.00 N ATOM 967 CZ ARG A 65 -3.785 15.128 3.179 1.00 0.00 C ATOM 968 NH1 ARG A 65 -2.477 15.356 3.187 1.00 0.00 N ATOM 969 NH2 ARG A 65 -4.617 16.070 3.597 1.00 0.00 N ATOM 0 H ARG A 65 -4.357 10.676 -1.771 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.180 13.250 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.156 11.547 0.125 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.463 11.117 0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.844 13.350 0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.410 13.991 0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.994 11.939 2.283 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.578 12.733 2.943 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.273 13.824 2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.832 14.635 2.863 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.117 16.252 3.517 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.623 15.902 3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.252 16.964 3.926 1.00 0.00 H new ATOM 983 N ALA A 66 -1.202 10.667 -2.190 1.00 0.00 N ATOM 984 CA ALA A 66 0.134 10.275 -2.604 1.00 0.00 C ATOM 985 C ALA A 66 0.454 10.890 -3.953 1.00 0.00 C ATOM 986 O ALA A 66 1.551 11.399 -4.171 1.00 0.00 O ATOM 987 CB ALA A 66 0.262 8.761 -2.648 1.00 0.00 C ATOM 0 H ALA A 66 -1.868 9.897 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 66 0.854 10.645 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.270 8.490 -2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.066 8.350 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.459 8.355 -3.358 1.00 0.00 H new ATOM 993 N LYS A 67 -0.527 10.868 -4.851 1.00 0.00 N ATOM 994 CA LYS A 67 -0.353 11.449 -6.172 1.00 0.00 C ATOM 995 C LYS A 67 -0.086 12.943 -6.043 1.00 0.00 C ATOM 996 O LYS A 67 0.843 13.477 -6.646 1.00 0.00 O ATOM 997 CB LYS A 67 -1.590 11.203 -7.037 1.00 0.00 C ATOM 998 CG LYS A 67 -1.432 10.035 -8.000 1.00 0.00 C ATOM 999 CD LYS A 67 -2.700 9.199 -8.076 1.00 0.00 C ATOM 1000 CE LYS A 67 -2.424 7.820 -8.652 1.00 0.00 C ATOM 1001 NZ LYS A 67 -1.869 7.896 -10.032 1.00 0.00 N ATOM 0 H LYS A 67 -1.445 10.455 -4.686 1.00 0.00 H new ATOM 0 HA LYS A 67 0.500 10.973 -6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.446 11.016 -6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.812 12.106 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.183 10.411 -8.992 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.600 9.408 -7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.131 9.099 -7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.438 9.711 -8.693 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.722 7.291 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.347 7.240 -8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.448 7.315 -10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.879 8.884 -10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.891 7.542 -10.033 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.896 13.603 -5.223 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.738 15.026 -4.975 1.00 0.00 C ATOM 1017 C ASN A 68 0.532 15.272 -4.168 1.00 0.00 C ATOM 1018 O ASN A 68 1.125 16.350 -4.222 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.955 15.569 -4.221 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.174 17.050 -4.461 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -3.180 17.453 -5.046 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -1.231 17.870 -4.011 1.00 0.00 N ATOM 0 H ASN A 68 -1.670 13.171 -4.719 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.659 15.546 -5.930 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.844 15.019 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.825 15.393 -3.153 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.324 18.877 -4.145 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.414 17.493 -3.532 1.00 0.00 H new ATOM 1029 N ALA A 69 0.942 14.250 -3.419 1.00 0.00 N ATOM 1030 CA ALA A 69 2.138 14.321 -2.592 1.00 0.00 C ATOM 1031 C ALA A 69 3.402 14.173 -3.431 1.00 0.00 C ATOM 1032 O ALA A 69 4.482 14.601 -3.025 1.00 0.00 O ATOM 1033 CB ALA A 69 2.091 13.236 -1.528 1.00 0.00 C ATOM 0 H ALA A 69 0.455 13.355 -3.370 1.00 0.00 H new ATOM 0 HA ALA A 69 2.164 15.301 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.988 13.292 -0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.210 13.378 -0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.041 12.258 -2.007 1.00 0.00 H new ATOM 1039 N GLY A 70 3.266 13.549 -4.599 1.00 0.00 N ATOM 1040 CA GLY A 70 4.406 13.344 -5.469 1.00 0.00 C ATOM 1041 C GLY A 70 4.760 11.875 -5.580 1.00 0.00 C ATOM 1042 O GLY A 70 5.899 11.520 -5.885 1.00 0.00 O ATOM 0 H GLY A 70 2.384 13.182 -4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.186 13.743 -6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.263 13.898 -5.085 1.00 0.00 H new ATOM 1046 N PHE A 71 3.775 11.022 -5.317 1.00 0.00 N ATOM 1047 CA PHE A 71 3.964 9.583 -5.368 1.00 0.00 C ATOM 1048 C PHE A 71 2.850 8.940 -6.187 1.00 0.00 C ATOM 1049 O PHE A 71 1.728 9.438 -6.209 1.00 0.00 O ATOM 1050 CB PHE A 71 3.950 9.013 -3.949 1.00 0.00 C ATOM 1051 CG PHE A 71 4.484 9.961 -2.911 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.726 10.551 -3.069 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.735 10.270 -1.784 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.216 11.431 -2.121 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.219 11.149 -0.834 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.461 11.730 -1.002 1.00 0.00 C ATOM 0 H PHE A 71 2.830 11.310 -5.064 1.00 0.00 H new ATOM 0 HA PHE A 71 4.923 9.366 -5.838 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.928 8.740 -3.687 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.540 8.097 -3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.319 10.322 -3.942 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.763 9.819 -1.648 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.187 11.884 -2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.627 11.382 0.039 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.842 12.417 -0.260 1.00 0.00 H new ATOM 1066 N ASP A 72 3.153 7.836 -6.850 1.00 0.00 N ATOM 1067 CA ASP A 72 2.153 7.146 -7.656 1.00 0.00 C ATOM 1068 C ASP A 72 1.462 6.059 -6.841 1.00 0.00 C ATOM 1069 O ASP A 72 1.726 4.871 -7.034 1.00 0.00 O ATOM 1070 CB ASP A 72 2.800 6.538 -8.901 1.00 0.00 C ATOM 1071 CG ASP A 72 1.778 5.948 -9.855 1.00 0.00 C ATOM 1072 OD1 ASP A 72 1.177 6.719 -10.632 1.00 0.00 O ATOM 1073 OD2 ASP A 72 1.578 4.715 -9.822 1.00 0.00 O ATOM 0 H ASP A 72 4.075 7.399 -6.848 1.00 0.00 H new ATOM 0 HA ASP A 72 1.404 7.874 -7.968 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.376 7.305 -9.419 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.502 5.761 -8.599 1.00 0.00 H new ATOM 1078 N ALA A 73 0.574 6.465 -5.933 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.142 5.508 -5.097 1.00 0.00 C ATOM 1080 C ALA A 73 -1.391 4.975 -5.790 1.00 0.00 C ATOM 1081 O ALA A 73 -2.088 5.705 -6.497 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.523 6.146 -3.772 1.00 0.00 C ATOM 0 H ALA A 73 0.336 7.442 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 73 0.528 4.667 -4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.057 5.420 -3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.378 6.468 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.165 7.008 -3.954 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.671 3.698 -5.564 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.840 3.045 -6.141 1.00 0.00 C ATOM 1090 C ILE A 74 -3.547 2.217 -5.077 1.00 0.00 C ATOM 1091 O ILE A 74 -2.916 1.730 -4.144 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.456 2.134 -7.323 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.429 1.090 -6.881 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.915 2.965 -8.476 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.617 -0.259 -7.538 1.00 0.00 C ATOM 0 H ILE A 74 -1.099 3.089 -4.980 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.505 3.824 -6.513 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.349 1.611 -7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.428 1.459 -7.107 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.488 0.970 -5.799 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.648 2.308 -9.304 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.677 3.671 -8.805 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.031 3.512 -8.147 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.854 -0.949 -7.177 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.604 -0.649 -7.292 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.528 -0.153 -8.619 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.856 2.046 -5.219 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.622 1.267 -4.255 1.00 0.00 C ATOM 1109 C VAL A 75 -5.959 -0.111 -4.809 1.00 0.00 C ATOM 1110 O VAL A 75 -6.361 -0.246 -5.964 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.919 1.989 -3.838 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.763 1.109 -2.923 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.592 3.310 -3.157 1.00 0.00 C ATOM 0 H VAL A 75 -5.405 2.433 -5.986 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.994 1.152 -3.372 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.500 2.194 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.672 1.641 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.027 0.189 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.194 0.866 -2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.517 3.809 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.988 3.122 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.036 3.946 -3.846 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.789 -1.130 -3.975 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.073 -2.497 -4.379 1.00 0.00 C ATOM 1125 C ILE A 76 -6.778 -3.268 -3.266 1.00 0.00 C ATOM 1126 O ILE A 76 -6.448 -3.120 -2.085 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.781 -3.243 -4.772 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -5.105 -4.659 -5.250 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -3.813 -3.281 -3.598 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -3.883 -5.463 -5.639 1.00 0.00 C ATOM 0 H ILE A 76 -5.456 -1.033 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.731 -2.442 -5.246 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.306 -2.705 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.640 -5.186 -4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.778 -4.599 -6.106 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.906 -3.811 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.559 -2.263 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.279 -3.797 -2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.190 -6.456 -5.967 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.359 -4.958 -6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.219 -5.554 -4.780 1.00 0.00 H new