USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=11 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc=-0.00712 K(o=-0.0071,f=-0.69) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 153:sc= 0.0017 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.497 K(o=-0.5,f=-5.4!) 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= -17.7! C(o=-18!,f=-22!) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= -0.206 (180deg=-0.316) USER MOD Single : A 37 SER OG : rot 170:sc= 0.156 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 49 GLN : amide:sc= -3.95 K(o=-4,f=-7.4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.4!) USER MOD Single : A 61 THR OG1 : rot 83:sc= 1.07 USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00488) USER MOD Single : A 68 ASN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.333 -6.356 1.507 1.00 0.00 N ATOM 121 CA LEU A 9 -8.797 -5.211 2.227 1.00 0.00 C ATOM 122 C LEU A 9 -8.440 -4.105 1.252 1.00 0.00 C ATOM 123 O LEU A 9 -7.953 -4.369 0.153 1.00 0.00 O ATOM 124 CB LEU A 9 -7.564 -5.615 3.038 1.00 0.00 C ATOM 125 CG LEU A 9 -7.767 -6.816 3.967 1.00 0.00 C ATOM 126 CD1 LEU A 9 -7.186 -8.077 3.346 1.00 0.00 C ATOM 127 CD2 LEU A 9 -7.136 -6.549 5.327 1.00 0.00 C ATOM 0 HA LEU A 9 -9.559 -4.846 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.752 -5.842 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.245 -4.761 3.636 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.837 -6.966 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.340 -8.919 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.683 -8.277 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.118 -7.940 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.289 -7.412 5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.067 -6.373 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.599 -5.671 5.777 1.00 0.00 H new ATOM 139 N TYR A 10 -8.671 -2.867 1.658 1.00 0.00 N ATOM 140 CA TYR A 10 -8.359 -1.732 0.814 1.00 0.00 C ATOM 141 C TYR A 10 -7.066 -1.084 1.271 1.00 0.00 C ATOM 142 O TYR A 10 -7.022 -0.410 2.301 1.00 0.00 O ATOM 143 CB TYR A 10 -9.508 -0.727 0.831 1.00 0.00 C ATOM 144 CG TYR A 10 -10.859 -1.363 0.585 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.219 -1.801 -0.681 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.768 -1.532 1.618 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.447 -2.388 -0.913 1.00 0.00 C ATOM 148 CE2 TYR A 10 -13.001 -2.117 1.397 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.335 -2.544 0.130 1.00 0.00 C ATOM 150 OH TYR A 10 -14.560 -3.130 -0.095 1.00 0.00 O ATOM 0 H TYR A 10 -9.072 -2.626 2.564 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.227 -2.078 -0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.523 -0.218 1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.328 0.034 0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.526 -1.681 -1.500 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.508 -1.201 2.613 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.710 -2.723 -1.905 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.698 -2.239 2.213 1.00 0.00 H new ATOM 0 HH TYR A 10 -15.065 -3.165 0.744 1.00 0.00 H new ATOM 160 N LYS A 11 -6.013 -1.290 0.495 1.00 0.00 N ATOM 161 CA LYS A 11 -4.707 -0.723 0.814 1.00 0.00 C ATOM 162 C LYS A 11 -4.162 0.069 -0.368 1.00 0.00 C ATOM 163 O LYS A 11 -4.535 -0.183 -1.514 1.00 0.00 O ATOM 164 CB LYS A 11 -3.729 -1.833 1.199 1.00 0.00 C ATOM 165 CG LYS A 11 -4.308 -2.838 2.182 1.00 0.00 C ATOM 166 CD LYS A 11 -3.371 -4.014 2.397 1.00 0.00 C ATOM 167 CE LYS A 11 -4.140 -5.303 2.642 1.00 0.00 C ATOM 168 NZ LYS A 11 -3.251 -6.399 3.114 1.00 0.00 N ATOM 0 H LYS A 11 -6.035 -1.845 -0.360 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.824 -0.045 1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.415 -2.358 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.836 -1.385 1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.500 -2.346 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.267 -3.199 1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.729 -4.133 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.720 -3.811 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.921 -5.125 3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.637 -5.610 1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.814 -7.260 3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.521 -6.587 2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.796 -6.117 4.006 1.00 0.00 H new ATOM 182 N VAL A 12 -3.279 1.028 -0.095 1.00 0.00 N ATOM 183 CA VAL A 12 -2.700 1.838 -1.161 1.00 0.00 C ATOM 184 C VAL A 12 -1.236 1.465 -1.377 1.00 0.00 C ATOM 185 O VAL A 12 -0.504 1.250 -0.421 1.00 0.00 O ATOM 186 CB VAL A 12 -2.808 3.362 -0.880 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.214 4.110 -2.133 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.797 3.677 0.235 1.00 0.00 C ATOM 0 H VAL A 12 -2.953 1.260 0.843 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.276 1.626 -2.062 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.819 3.689 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.284 5.176 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.468 3.948 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.182 3.746 -2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.836 4.755 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.787 3.315 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.477 3.187 1.154 1.00 0.00 H new ATOM 198 N GLN A 13 -0.818 1.372 -2.637 1.00 0.00 N ATOM 199 CA GLN A 13 0.561 1.007 -2.962 1.00 0.00 C ATOM 200 C GLN A 13 1.166 1.990 -3.959 1.00 0.00 C ATOM 201 O GLN A 13 0.516 2.377 -4.929 1.00 0.00 O ATOM 202 CB GLN A 13 0.618 -0.411 -3.530 1.00 0.00 C ATOM 203 CG GLN A 13 2.018 -1.003 -3.552 1.00 0.00 C ATOM 204 CD GLN A 13 2.022 -2.478 -3.902 1.00 0.00 C ATOM 205 OE1 GLN A 13 1.143 -3.231 -3.484 1.00 0.00 O ATOM 206 NE2 GLN A 13 3.016 -2.899 -4.676 1.00 0.00 N ATOM 0 H GLN A 13 -1.412 1.544 -3.449 1.00 0.00 H new ATOM 0 HA GLN A 13 1.144 1.046 -2.042 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.031 -1.057 -2.938 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.220 -0.403 -4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.627 -0.460 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.483 -0.864 -2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.724 -2.240 -5.000 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.071 -3.881 -4.946 1.00 0.00 H new ATOM 215 N ILE A 14 2.407 2.403 -3.708 1.00 0.00 N ATOM 216 CA ILE A 14 3.070 3.359 -4.591 1.00 0.00 C ATOM 217 C ILE A 14 4.200 2.733 -5.410 1.00 0.00 C ATOM 218 O ILE A 14 4.751 3.391 -6.293 1.00 0.00 O ATOM 219 CB ILE A 14 3.626 4.563 -3.808 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.590 4.090 -2.714 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.486 5.392 -3.236 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.095 4.313 -1.302 1.00 0.00 C ATOM 0 H ILE A 14 2.967 2.096 -2.912 1.00 0.00 H new ATOM 0 HA ILE A 14 2.297 3.696 -5.282 1.00 0.00 H new ATOM 0 HB ILE A 14 4.190 5.201 -4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.784 3.027 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.542 4.607 -2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.893 6.240 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.857 5.756 -4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.889 4.775 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.839 3.949 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.929 5.378 -1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.160 3.773 -1.155 1.00 0.00 H new ATOM 234 N GLY A 15 4.541 1.468 -5.151 1.00 0.00 N ATOM 235 CA GLY A 15 5.596 0.846 -5.936 1.00 0.00 C ATOM 236 C GLY A 15 6.252 -0.356 -5.281 1.00 0.00 C ATOM 237 O GLY A 15 5.995 -0.669 -4.119 1.00 0.00 O ATOM 0 H GLY A 15 4.119 0.879 -4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.182 0.538 -6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.363 1.592 -6.144 1.00 0.00 H new ATOM 241 N ALA A 16 7.136 -1.001 -6.043 1.00 0.00 N ATOM 242 CA ALA A 16 7.896 -2.156 -5.579 1.00 0.00 C ATOM 243 C ALA A 16 9.225 -2.216 -6.329 1.00 0.00 C ATOM 244 O ALA A 16 9.283 -1.889 -7.514 1.00 0.00 O ATOM 245 CB ALA A 16 7.107 -3.445 -5.771 1.00 0.00 C ATOM 0 H ALA A 16 7.344 -0.733 -7.005 1.00 0.00 H new ATOM 0 HA ALA A 16 8.089 -2.049 -4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.698 -4.290 -5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.177 -3.390 -5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.881 -3.579 -6.829 1.00 0.00 H new ATOM 251 N PHE A 17 10.293 -2.623 -5.651 1.00 0.00 N ATOM 252 CA PHE A 17 11.603 -2.703 -6.293 1.00 0.00 C ATOM 253 C PHE A 17 12.418 -3.864 -5.744 1.00 0.00 C ATOM 254 O PHE A 17 12.290 -4.228 -4.577 1.00 0.00 O ATOM 255 CB PHE A 17 12.380 -1.398 -6.099 1.00 0.00 C ATOM 256 CG PHE A 17 11.532 -0.165 -6.206 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.852 0.320 -5.101 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.419 0.512 -7.410 1.00 0.00 C ATOM 259 CE1 PHE A 17 10.076 1.458 -5.195 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.643 1.650 -7.511 1.00 0.00 C ATOM 261 CZ PHE A 17 9.969 2.124 -6.402 1.00 0.00 C ATOM 0 H PHE A 17 10.280 -2.900 -4.669 1.00 0.00 H new ATOM 0 HA PHE A 17 11.435 -2.868 -7.357 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.859 -1.414 -5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.175 -1.346 -6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.930 -0.197 -4.156 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.944 0.145 -8.280 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.553 1.828 -4.326 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.563 2.168 -8.455 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.360 3.013 -6.478 1.00 0.00 H new ATOM 271 N LYS A 18 13.268 -4.431 -6.590 1.00 0.00 N ATOM 272 CA LYS A 18 14.116 -5.547 -6.191 1.00 0.00 C ATOM 273 C LYS A 18 15.066 -5.148 -5.062 1.00 0.00 C ATOM 274 O LYS A 18 15.685 -6.007 -4.432 1.00 0.00 O ATOM 275 CB LYS A 18 14.918 -6.054 -7.389 1.00 0.00 C ATOM 276 CG LYS A 18 15.884 -5.027 -7.955 1.00 0.00 C ATOM 277 CD LYS A 18 17.093 -5.693 -8.594 1.00 0.00 C ATOM 278 CE LYS A 18 16.689 -6.567 -9.770 1.00 0.00 C ATOM 279 NZ LYS A 18 16.340 -5.759 -10.972 1.00 0.00 N ATOM 0 H LYS A 18 13.389 -4.136 -7.559 1.00 0.00 H new ATOM 0 HA LYS A 18 13.469 -6.344 -5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.477 -6.941 -7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.227 -6.361 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.371 -4.413 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.213 -4.358 -7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.795 -4.930 -8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.612 -6.298 -7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.506 -7.246 -10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.836 -7.183 -9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.070 -6.394 -11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.544 -5.129 -10.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.162 -5.190 -11.258 1.00 0.00 H new ATOM 293 N VAL A 19 15.188 -3.845 -4.813 1.00 0.00 N ATOM 294 CA VAL A 19 16.076 -3.352 -3.769 1.00 0.00 C ATOM 295 C VAL A 19 15.302 -2.837 -2.558 1.00 0.00 C ATOM 296 O VAL A 19 14.422 -1.986 -2.682 1.00 0.00 O ATOM 297 CB VAL A 19 16.980 -2.223 -4.293 1.00 0.00 C ATOM 298 CG1 VAL A 19 18.038 -1.859 -3.262 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.626 -2.621 -5.611 1.00 0.00 C ATOM 0 H VAL A 19 14.684 -3.117 -5.319 1.00 0.00 H new ATOM 0 HA VAL A 19 16.688 -4.200 -3.463 1.00 0.00 H new ATOM 0 HB VAL A 19 16.361 -1.343 -4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.667 -1.059 -3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.553 -1.525 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.654 -2.733 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.261 -1.809 -5.965 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.230 -3.517 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.851 -2.823 -6.350 1.00 0.00 H new ATOM 309 N LYS A 20 15.650 -3.359 -1.387 1.00 0.00 N ATOM 310 CA LYS A 20 15.015 -2.963 -0.140 1.00 0.00 C ATOM 311 C LYS A 20 15.327 -1.511 0.181 1.00 0.00 C ATOM 312 O LYS A 20 14.453 -0.761 0.602 1.00 0.00 O ATOM 313 CB LYS A 20 15.486 -3.862 1.005 1.00 0.00 C ATOM 314 CG LYS A 20 14.717 -3.655 2.299 1.00 0.00 C ATOM 315 CD LYS A 20 15.494 -2.793 3.279 1.00 0.00 C ATOM 316 CE LYS A 20 14.565 -2.027 4.207 1.00 0.00 C ATOM 317 NZ LYS A 20 15.298 -1.421 5.352 1.00 0.00 N ATOM 0 H LYS A 20 16.377 -4.066 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 20 13.937 -3.072 -0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.392 -4.904 0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.545 -3.678 1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.758 -3.185 2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.503 -4.622 2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 20 16.161 -3.422 3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.121 -2.091 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.057 -1.243 3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.794 -2.699 4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.787 -0.579 5.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.366 -2.113 6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.254 -1.148 5.047 1.00 0.00 H new ATOM 331 N ALA A 21 16.581 -1.113 -0.028 1.00 0.00 N ATOM 332 CA ALA A 21 16.989 0.262 0.231 1.00 0.00 C ATOM 333 C ALA A 21 16.119 1.220 -0.570 1.00 0.00 C ATOM 334 O ALA A 21 15.806 2.325 -0.121 1.00 0.00 O ATOM 335 CB ALA A 21 18.457 0.457 -0.116 1.00 0.00 C ATOM 0 H ALA A 21 17.325 -1.719 -0.373 1.00 0.00 H new ATOM 0 HA ALA A 21 16.860 0.474 1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.744 1.489 0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.066 -0.213 0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.614 0.234 -1.171 1.00 0.00 H new ATOM 341 N ASN A 22 15.708 0.772 -1.751 1.00 0.00 N ATOM 342 CA ASN A 22 14.850 1.566 -2.610 1.00 0.00 C ATOM 343 C ASN A 22 13.422 1.514 -2.087 1.00 0.00 C ATOM 344 O ASN A 22 12.693 2.506 -2.138 1.00 0.00 O ATOM 345 CB ASN A 22 14.905 1.049 -4.049 1.00 0.00 C ATOM 346 CG ASN A 22 16.169 1.477 -4.769 1.00 0.00 C ATOM 347 OD1 ASN A 22 17.208 0.826 -4.664 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.086 2.579 -5.506 1.00 0.00 N ATOM 0 H ASN A 22 15.958 -0.140 -2.133 1.00 0.00 H new ATOM 0 HA ASN A 22 15.199 2.598 -2.605 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.844 -0.039 -4.044 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.036 1.414 -4.597 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.904 2.916 -6.013 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.204 3.088 -5.565 1.00 0.00 H new ATOM 355 N ALA A 23 13.034 0.353 -1.563 1.00 0.00 N ATOM 356 CA ALA A 23 11.696 0.184 -1.011 1.00 0.00 C ATOM 357 C ALA A 23 11.547 0.969 0.293 1.00 0.00 C ATOM 358 O ALA A 23 10.437 1.301 0.708 1.00 0.00 O ATOM 359 CB ALA A 23 11.393 -1.288 -0.786 1.00 0.00 C ATOM 0 H ALA A 23 13.624 -0.478 -1.510 1.00 0.00 H new ATOM 0 HA ALA A 23 10.977 0.577 -1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.390 -1.394 -0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.453 -1.821 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.118 -1.706 -0.088 1.00 0.00 H new ATOM 365 N ASP A 24 12.679 1.267 0.929 1.00 0.00 N ATOM 366 CA ASP A 24 12.686 2.016 2.178 1.00 0.00 C ATOM 367 C ASP A 24 12.594 3.510 1.903 1.00 0.00 C ATOM 368 O ASP A 24 11.947 4.250 2.645 1.00 0.00 O ATOM 369 CB ASP A 24 13.954 1.706 2.977 1.00 0.00 C ATOM 370 CG ASP A 24 13.684 1.559 4.461 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.932 0.635 4.839 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.223 2.366 5.247 1.00 0.00 O ATOM 0 H ASP A 24 13.605 0.999 0.596 1.00 0.00 H new ATOM 0 HA ASP A 24 11.818 1.715 2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.401 0.786 2.600 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.682 2.502 2.821 1.00 0.00 H new ATOM 377 N SER A 25 13.227 3.945 0.819 1.00 0.00 N ATOM 378 CA SER A 25 13.193 5.351 0.435 1.00 0.00 C ATOM 379 C SER A 25 11.768 5.746 0.075 1.00 0.00 C ATOM 380 O SER A 25 11.319 6.855 0.369 1.00 0.00 O ATOM 381 CB SER A 25 14.128 5.606 -0.748 1.00 0.00 C ATOM 382 OG SER A 25 13.925 6.899 -1.290 1.00 0.00 O ATOM 0 H SER A 25 13.767 3.347 0.193 1.00 0.00 H new ATOM 0 HA SER A 25 13.532 5.957 1.275 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.164 5.502 -0.425 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.957 4.854 -1.519 1.00 0.00 H new ATOM 0 HG SER A 25 14.536 7.037 -2.044 1.00 0.00 H new ATOM 388 N LEU A 26 11.059 4.813 -0.555 1.00 0.00 N ATOM 389 CA LEU A 26 9.678 5.030 -0.954 1.00 0.00 C ATOM 390 C LEU A 26 8.776 5.116 0.276 1.00 0.00 C ATOM 391 O LEU A 26 8.006 6.060 0.431 1.00 0.00 O ATOM 392 CB LEU A 26 9.223 3.892 -1.872 1.00 0.00 C ATOM 393 CG LEU A 26 7.863 4.082 -2.549 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.807 5.403 -3.303 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.577 2.922 -3.492 1.00 0.00 C ATOM 0 H LEU A 26 11.425 3.893 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 26 9.608 5.973 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.977 3.753 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.192 2.971 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 26 7.098 4.103 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.830 5.512 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.968 6.226 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.583 5.418 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.607 3.070 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.352 2.875 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.567 1.989 -2.929 1.00 0.00 H new ATOM 407 N ALA A 27 8.890 4.131 1.159 1.00 0.00 N ATOM 408 CA ALA A 27 8.093 4.117 2.381 1.00 0.00 C ATOM 409 C ALA A 27 8.324 5.394 3.188 1.00 0.00 C ATOM 410 O ALA A 27 7.467 5.820 3.962 1.00 0.00 O ATOM 411 CB ALA A 27 8.429 2.892 3.217 1.00 0.00 C ATOM 0 H ALA A 27 9.521 3.337 1.054 1.00 0.00 H new ATOM 0 HA ALA A 27 7.039 4.072 2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.827 2.895 4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.216 1.990 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.486 2.911 3.482 1.00 0.00 H new ATOM 417 N SER A 28 9.490 6.003 2.988 1.00 0.00 N ATOM 418 CA SER A 28 9.845 7.234 3.685 1.00 0.00 C ATOM 419 C SER A 28 9.088 8.423 3.102 1.00 0.00 C ATOM 420 O SER A 28 8.609 9.289 3.839 1.00 0.00 O ATOM 421 CB SER A 28 11.354 7.476 3.597 1.00 0.00 C ATOM 422 OG SER A 28 11.912 7.684 4.884 1.00 0.00 O ATOM 0 H SER A 28 10.206 5.662 2.347 1.00 0.00 H new ATOM 0 HA SER A 28 9.564 7.127 4.733 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.836 6.621 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.551 8.344 2.967 1.00 0.00 H new ATOM 0 HG SER A 28 12.877 7.835 4.802 1.00 0.00 H new ATOM 428 N ASN A 29 8.978 8.464 1.777 1.00 0.00 N ATOM 429 CA ASN A 29 8.275 9.549 1.105 1.00 0.00 C ATOM 430 C ASN A 29 6.823 9.602 1.559 1.00 0.00 C ATOM 431 O ASN A 29 6.314 10.662 1.924 1.00 0.00 O ATOM 432 CB ASN A 29 8.374 9.394 -0.419 1.00 0.00 C ATOM 433 CG ASN A 29 7.421 8.365 -1.003 1.00 0.00 C ATOM 434 OD1 ASN A 29 7.848 7.308 -1.457 1.00 0.00 O ATOM 435 ND2 ASN A 29 6.132 8.678 -1.021 1.00 0.00 N ATOM 0 H ASN A 29 9.366 7.759 1.150 1.00 0.00 H new ATOM 0 HA ASN A 29 8.748 10.493 1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.178 10.360 -0.885 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.395 9.116 -0.679 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.455 8.029 -1.423 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.818 9.567 -0.633 1.00 0.00 H new ATOM 442 N ALA A 30 6.171 8.450 1.547 1.00 0.00 N ATOM 443 CA ALA A 30 4.783 8.360 1.970 1.00 0.00 C ATOM 444 C ALA A 30 4.641 8.814 3.413 1.00 0.00 C ATOM 445 O ALA A 30 3.687 9.507 3.769 1.00 0.00 O ATOM 446 CB ALA A 30 4.274 6.937 1.815 1.00 0.00 C ATOM 0 H ALA A 30 6.581 7.565 1.249 1.00 0.00 H new ATOM 0 HA ALA A 30 4.185 9.015 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.234 6.886 2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.347 6.636 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.876 6.266 2.428 1.00 0.00 H new ATOM 452 N GLU A 31 5.605 8.421 4.241 1.00 0.00 N ATOM 453 CA GLU A 31 5.594 8.791 5.652 1.00 0.00 C ATOM 454 C GLU A 31 5.508 10.305 5.804 1.00 0.00 C ATOM 455 O GLU A 31 4.849 10.814 6.711 1.00 0.00 O ATOM 456 CB GLU A 31 6.849 8.263 6.351 1.00 0.00 C ATOM 457 CG GLU A 31 6.793 8.371 7.866 1.00 0.00 C ATOM 458 CD GLU A 31 8.166 8.534 8.490 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.860 7.512 8.669 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.544 9.683 8.800 1.00 0.00 O ATOM 0 H GLU A 31 6.401 7.848 3.960 1.00 0.00 H new ATOM 0 HA GLU A 31 4.717 8.342 6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.996 7.219 6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.716 8.814 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.169 9.220 8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.317 7.479 8.273 1.00 0.00 H new ATOM 467 N ALA A 32 6.171 11.017 4.901 1.00 0.00 N ATOM 468 CA ALA A 32 6.171 12.476 4.911 1.00 0.00 C ATOM 469 C ALA A 32 4.745 13.005 4.964 1.00 0.00 C ATOM 470 O ALA A 32 4.404 13.814 5.825 1.00 0.00 O ATOM 471 CB ALA A 32 6.897 13.018 3.690 1.00 0.00 C ATOM 0 H ALA A 32 6.720 10.604 4.147 1.00 0.00 H new ATOM 0 HA ALA A 32 6.699 12.816 5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.887 14.108 3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.928 12.665 3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.397 12.671 2.786 1.00 0.00 H new ATOM 477 N LYS A 33 3.907 12.522 4.052 1.00 0.00 N ATOM 478 CA LYS A 33 2.512 12.932 4.025 1.00 0.00 C ATOM 479 C LYS A 33 1.836 12.500 5.316 1.00 0.00 C ATOM 480 O LYS A 33 0.890 13.132 5.785 1.00 0.00 O ATOM 481 CB LYS A 33 1.791 12.315 2.828 1.00 0.00 C ATOM 482 CG LYS A 33 2.124 12.980 1.506 1.00 0.00 C ATOM 483 CD LYS A 33 1.674 14.433 1.483 1.00 0.00 C ATOM 484 CE LYS A 33 2.846 15.382 1.684 1.00 0.00 C ATOM 485 NZ LYS A 33 3.721 15.445 0.479 1.00 0.00 N ATOM 0 H LYS A 33 4.169 11.852 3.329 1.00 0.00 H new ATOM 0 HA LYS A 33 2.464 14.017 3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.047 11.257 2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.715 12.374 2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.199 12.928 1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.643 12.436 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.188 14.650 0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.932 14.598 2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.471 16.379 1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.433 15.057 2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.427 16.199 0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.206 14.533 0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.142 15.647 -0.361 1.00 0.00 H new ATOM 499 N GLY A 34 2.351 11.416 5.893 1.00 0.00 N ATOM 500 CA GLY A 34 1.819 10.902 7.132 1.00 0.00 C ATOM 501 C GLY A 34 1.041 9.620 6.940 1.00 0.00 C ATOM 502 O GLY A 34 0.059 9.367 7.639 1.00 0.00 O ATOM 0 H GLY A 34 3.135 10.884 5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.638 10.725 7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.171 11.652 7.584 1.00 0.00 H new ATOM 506 N PHE A 35 1.485 8.803 5.992 1.00 0.00 N ATOM 507 CA PHE A 35 0.832 7.538 5.711 1.00 0.00 C ATOM 508 C PHE A 35 1.590 6.384 6.344 1.00 0.00 C ATOM 509 O PHE A 35 2.791 6.472 6.591 1.00 0.00 O ATOM 510 CB PHE A 35 0.737 7.329 4.205 1.00 0.00 C ATOM 511 CG PHE A 35 0.190 8.515 3.474 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.738 9.354 4.071 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.616 8.798 2.193 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.234 10.451 3.397 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.127 9.898 1.511 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.800 10.724 2.114 1.00 0.00 C ATOM 0 H PHE A 35 2.297 8.998 5.406 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.170 7.566 6.138 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.728 7.096 3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.104 6.464 4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.077 9.147 5.075 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.340 8.153 1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.960 11.095 3.871 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.470 10.110 0.509 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.185 11.582 1.584 1.00 0.00 H new ATOM 526 N ASP A 36 0.880 5.292 6.586 1.00 0.00 N ATOM 527 CA ASP A 36 1.489 4.110 7.169 1.00 0.00 C ATOM 528 C ASP A 36 2.153 3.288 6.075 1.00 0.00 C ATOM 529 O ASP A 36 1.519 2.427 5.466 1.00 0.00 O ATOM 530 CB ASP A 36 0.440 3.268 7.899 1.00 0.00 C ATOM 531 CG ASP A 36 -0.247 4.039 9.010 1.00 0.00 C ATOM 532 OD1 ASP A 36 -1.218 4.766 8.717 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.186 3.910 10.174 1.00 0.00 O ATOM 0 H ASP A 36 -0.116 5.202 6.387 1.00 0.00 H new ATOM 0 HA ASP A 36 2.241 4.421 7.894 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.307 2.923 7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.916 2.381 8.316 1.00 0.00 H new ATOM 538 N SER A 37 3.425 3.571 5.810 1.00 0.00 N ATOM 539 CA SER A 37 4.148 2.864 4.766 1.00 0.00 C ATOM 540 C SER A 37 4.627 1.512 5.271 1.00 0.00 C ATOM 541 O SER A 37 4.721 1.284 6.478 1.00 0.00 O ATOM 542 CB SER A 37 5.333 3.699 4.276 1.00 0.00 C ATOM 543 OG SER A 37 5.031 5.082 4.308 1.00 0.00 O ATOM 0 H SER A 37 3.970 4.280 6.301 1.00 0.00 H new ATOM 0 HA SER A 37 3.469 2.700 3.929 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.205 3.500 4.899 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.594 3.404 3.260 1.00 0.00 H new ATOM 0 HG SER A 37 5.847 5.599 4.143 1.00 0.00 H new ATOM 549 N ILE A 38 4.898 0.609 4.341 1.00 0.00 N ATOM 550 CA ILE A 38 5.331 -0.735 4.689 1.00 0.00 C ATOM 551 C ILE A 38 6.103 -1.380 3.541 1.00 0.00 C ATOM 552 O ILE A 38 5.758 -1.206 2.372 1.00 0.00 O ATOM 553 CB ILE A 38 4.107 -1.609 5.046 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.452 -3.102 4.988 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.949 -1.285 4.112 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.712 -3.933 6.012 1.00 0.00 C ATOM 0 H ILE A 38 4.826 0.783 3.339 1.00 0.00 H new ATOM 0 HA ILE A 38 5.993 -0.663 5.552 1.00 0.00 H new ATOM 0 HB ILE A 38 3.810 -1.382 6.070 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.225 -3.481 3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.525 -3.225 5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.090 -1.905 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.682 -0.233 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.245 -1.485 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.005 -4.978 5.913 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.958 -3.580 7.014 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.638 -3.840 5.849 1.00 0.00 H new ATOM 568 N VAL A 39 7.146 -2.127 3.886 1.00 0.00 N ATOM 569 CA VAL A 39 7.965 -2.799 2.887 1.00 0.00 C ATOM 570 C VAL A 39 7.908 -4.314 3.062 1.00 0.00 C ATOM 571 O VAL A 39 8.343 -4.842 4.086 1.00 0.00 O ATOM 572 CB VAL A 39 9.434 -2.337 2.964 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.269 -3.013 1.889 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.524 -0.824 2.846 1.00 0.00 C ATOM 0 H VAL A 39 7.443 -2.282 4.849 1.00 0.00 H new ATOM 0 HA VAL A 39 7.560 -2.533 1.911 1.00 0.00 H new ATOM 0 HB VAL A 39 9.834 -2.629 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.302 -2.672 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.233 -4.094 2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.872 -2.759 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.568 -0.516 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.104 -0.508 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.965 -0.362 3.660 1.00 0.00 H new ATOM 584 N LEU A 40 7.376 -5.015 2.061 1.00 0.00 N ATOM 585 CA LEU A 40 7.277 -6.467 2.124 1.00 0.00 C ATOM 586 C LEU A 40 8.178 -7.113 1.079 1.00 0.00 C ATOM 587 O LEU A 40 8.079 -6.813 -0.112 1.00 0.00 O ATOM 588 CB LEU A 40 5.824 -6.921 1.926 1.00 0.00 C ATOM 589 CG LEU A 40 5.634 -8.249 1.178 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.486 -9.350 1.799 1.00 0.00 C ATOM 591 CD2 LEU A 40 4.167 -8.648 1.164 1.00 0.00 C ATOM 0 H LEU A 40 7.010 -4.601 1.203 1.00 0.00 H new ATOM 0 HA LEU A 40 7.608 -6.786 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.354 -7.007 2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.290 -6.141 1.383 1.00 0.00 H new ATOM 0 HG LEU A 40 5.962 -8.109 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.334 -10.280 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.538 -9.068 1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.197 -9.490 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.052 -9.591 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.812 -8.765 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.584 -7.874 0.664 1.00 0.00 H new ATOM 682 N TYR A 46 10.778 -6.098 -3.525 1.00 0.00 N ATOM 683 CA TYR A 46 10.303 -5.439 -2.315 1.00 0.00 C ATOM 684 C TYR A 46 9.151 -4.500 -2.665 1.00 0.00 C ATOM 685 O TYR A 46 9.254 -3.703 -3.596 1.00 0.00 O ATOM 686 CB TYR A 46 11.431 -4.644 -1.649 1.00 0.00 C ATOM 687 CG TYR A 46 12.411 -5.499 -0.880 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.280 -6.360 -1.538 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.466 -5.449 0.509 1.00 0.00 C ATOM 690 CE1 TYR A 46 14.174 -7.145 -0.836 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.357 -6.230 1.217 1.00 0.00 C ATOM 692 CZ TYR A 46 14.210 -7.077 0.540 1.00 0.00 C ATOM 693 OH TYR A 46 15.098 -7.857 1.243 1.00 0.00 O ATOM 0 HA TYR A 46 9.959 -6.201 -1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.972 -4.088 -2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.994 -3.910 -0.971 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.256 -6.417 -2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.800 -4.787 1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.842 -7.810 -1.364 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.386 -6.178 2.295 1.00 0.00 H new ATOM 0 HH TYR A 46 14.994 -7.687 2.203 1.00 0.00 H new ATOM 703 N LYS A 47 8.051 -4.604 -1.931 1.00 0.00 N ATOM 704 CA LYS A 47 6.885 -3.765 -2.190 1.00 0.00 C ATOM 705 C LYS A 47 6.743 -2.668 -1.157 1.00 0.00 C ATOM 706 O LYS A 47 7.100 -2.839 0.004 1.00 0.00 O ATOM 707 CB LYS A 47 5.615 -4.612 -2.215 1.00 0.00 C ATOM 708 CG LYS A 47 5.343 -5.240 -3.565 1.00 0.00 C ATOM 709 CD LYS A 47 6.375 -6.299 -3.894 1.00 0.00 C ATOM 710 CE LYS A 47 6.053 -7.615 -3.217 1.00 0.00 C ATOM 711 NZ LYS A 47 5.102 -8.438 -4.015 1.00 0.00 N ATOM 0 H LYS A 47 7.940 -5.257 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 47 7.031 -3.298 -3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.696 -5.399 -1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.766 -3.990 -1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.348 -5.685 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.350 -4.469 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.418 -6.444 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.361 -5.958 -3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.974 -8.176 -3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.626 -7.421 -2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.910 -9.329 -3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.213 -7.914 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.519 -8.646 -4.945 1.00 0.00 H new ATOM 725 N VAL A 48 6.212 -1.536 -1.596 1.00 0.00 N ATOM 726 CA VAL A 48 6.008 -0.396 -0.724 1.00 0.00 C ATOM 727 C VAL A 48 4.544 0.028 -0.718 1.00 0.00 C ATOM 728 O VAL A 48 4.057 0.649 -1.666 1.00 0.00 O ATOM 729 CB VAL A 48 6.896 0.785 -1.148 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.699 1.968 -0.213 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.354 0.355 -1.182 1.00 0.00 C ATOM 0 H VAL A 48 5.914 -1.385 -2.560 1.00 0.00 H new ATOM 0 HA VAL A 48 6.288 -0.697 0.286 1.00 0.00 H new ATOM 0 HB VAL A 48 6.605 1.100 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.337 2.793 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.656 2.284 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.963 1.676 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.975 1.198 -1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.657 0.017 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.477 -0.459 -1.896 1.00 0.00 H new ATOM 741 N GLN A 49 3.845 -0.327 0.356 1.00 0.00 N ATOM 742 CA GLN A 49 2.430 -0.005 0.496 1.00 0.00 C ATOM 743 C GLN A 49 2.213 1.071 1.557 1.00 0.00 C ATOM 744 O GLN A 49 2.893 1.092 2.582 1.00 0.00 O ATOM 745 CB GLN A 49 1.646 -1.264 0.863 1.00 0.00 C ATOM 746 CG GLN A 49 0.149 -1.145 0.639 1.00 0.00 C ATOM 747 CD GLN A 49 -0.594 -2.416 1.000 1.00 0.00 C ATOM 748 OE1 GLN A 49 -1.297 -2.994 0.173 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.436 -2.858 2.242 1.00 0.00 N ATOM 0 H GLN A 49 4.238 -0.840 1.145 1.00 0.00 H new ATOM 0 HA GLN A 49 2.072 0.382 -0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.026 -2.100 0.276 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.829 -1.501 1.911 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.240 -0.319 1.234 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.041 -0.901 -0.406 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.157 -2.345 2.894 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.908 -3.710 2.544 1.00 0.00 H new ATOM 758 N ILE A 50 1.253 1.955 1.302 1.00 0.00 N ATOM 759 CA ILE A 50 0.932 3.028 2.231 1.00 0.00 C ATOM 760 C ILE A 50 -0.576 3.178 2.416 1.00 0.00 C ATOM 761 O ILE A 50 -1.324 3.375 1.461 1.00 0.00 O ATOM 762 CB ILE A 50 1.554 4.358 1.788 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.189 4.693 0.339 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.063 4.277 1.958 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.128 5.758 0.216 1.00 0.00 C ATOM 0 H ILE A 50 0.683 1.947 0.456 1.00 0.00 H new ATOM 0 HA ILE A 50 1.364 2.756 3.194 1.00 0.00 H new ATOM 0 HB ILE A 50 1.156 5.159 2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.086 5.022 -0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.843 3.787 -0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.515 5.218 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.302 4.090 3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.455 3.465 1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.080 5.944 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.783 5.423 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.479 6.677 0.684 1.00 0.00 H new ATOM 777 N GLY A 51 -0.994 3.090 3.670 1.00 0.00 N ATOM 778 CA GLY A 51 -2.398 3.220 4.018 1.00 0.00 C ATOM 779 C GLY A 51 -3.187 1.951 3.770 1.00 0.00 C ATOM 780 O GLY A 51 -3.503 1.619 2.628 1.00 0.00 O ATOM 0 H GLY A 51 -0.376 2.928 4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.483 3.495 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.837 4.033 3.440 1.00 0.00 H new ATOM 784 N ALA A 52 -3.517 1.242 4.846 1.00 0.00 N ATOM 785 CA ALA A 52 -4.284 0.007 4.748 1.00 0.00 C ATOM 786 C ALA A 52 -5.475 0.046 5.699 1.00 0.00 C ATOM 787 O ALA A 52 -5.306 0.051 6.918 1.00 0.00 O ATOM 788 CB ALA A 52 -3.400 -1.191 5.050 1.00 0.00 C ATOM 0 H ALA A 52 -3.263 1.504 5.799 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.659 -0.090 3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.988 -2.106 4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.578 -1.226 4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.999 -1.102 6.060 1.00 0.00 H new ATOM 794 N PHE A 53 -6.679 0.086 5.137 1.00 0.00 N ATOM 795 CA PHE A 53 -7.893 0.141 5.945 1.00 0.00 C ATOM 796 C PHE A 53 -8.931 -0.864 5.461 1.00 0.00 C ATOM 797 O PHE A 53 -8.778 -1.480 4.404 1.00 0.00 O ATOM 798 CB PHE A 53 -8.489 1.553 5.914 1.00 0.00 C ATOM 799 CG PHE A 53 -7.462 2.645 5.829 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.763 2.866 4.653 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.194 3.450 6.925 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.818 3.870 4.571 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.248 4.454 6.850 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.559 4.666 5.671 1.00 0.00 C ATOM 0 H PHE A 53 -6.840 0.081 4.130 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.620 -0.116 6.968 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.162 1.634 5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.091 1.703 6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.959 2.246 3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.731 3.291 7.848 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.282 4.033 3.648 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.047 5.073 7.712 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.820 5.451 5.609 1.00 0.00 H new ATOM 814 N SER A 54 -9.997 -1.018 6.244 1.00 0.00 N ATOM 815 CA SER A 54 -11.073 -1.938 5.905 1.00 0.00 C ATOM 816 C SER A 54 -12.036 -1.308 4.902 1.00 0.00 C ATOM 817 O SER A 54 -12.826 -2.006 4.265 1.00 0.00 O ATOM 818 CB SER A 54 -11.832 -2.356 7.165 1.00 0.00 C ATOM 819 OG SER A 54 -12.474 -3.605 6.984 1.00 0.00 O ATOM 0 H SER A 54 -10.136 -0.514 7.120 1.00 0.00 H new ATOM 0 HA SER A 54 -10.628 -2.822 5.447 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.141 -2.418 8.006 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.572 -1.596 7.416 1.00 0.00 H new ATOM 0 HG SER A 54 -12.951 -3.850 7.805 1.00 0.00 H new ATOM 825 N SER A 55 -11.967 0.015 4.763 1.00 0.00 N ATOM 826 CA SER A 55 -12.833 0.734 3.835 1.00 0.00 C ATOM 827 C SER A 55 -12.022 1.367 2.705 1.00 0.00 C ATOM 828 O SER A 55 -11.015 2.030 2.946 1.00 0.00 O ATOM 829 CB SER A 55 -13.625 1.813 4.577 1.00 0.00 C ATOM 830 OG SER A 55 -14.926 1.955 4.033 1.00 0.00 O ATOM 0 H SER A 55 -11.320 0.609 5.282 1.00 0.00 H new ATOM 0 HA SER A 55 -13.528 0.017 3.398 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.695 1.555 5.634 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.096 2.764 4.516 1.00 0.00 H new ATOM 0 HG SER A 55 -15.412 2.649 4.525 1.00 0.00 H new ATOM 836 N LYS A 56 -12.475 1.155 1.472 1.00 0.00 N ATOM 837 CA LYS A 56 -11.795 1.701 0.303 1.00 0.00 C ATOM 838 C LYS A 56 -11.694 3.220 0.380 1.00 0.00 C ATOM 839 O LYS A 56 -10.687 3.803 -0.021 1.00 0.00 O ATOM 840 CB LYS A 56 -12.523 1.303 -0.976 1.00 0.00 C ATOM 841 CG LYS A 56 -11.781 1.729 -2.230 1.00 0.00 C ATOM 842 CD LYS A 56 -11.894 0.680 -3.322 1.00 0.00 C ATOM 843 CE LYS A 56 -13.328 0.530 -3.803 1.00 0.00 C ATOM 844 NZ LYS A 56 -13.466 -0.566 -4.803 1.00 0.00 N ATOM 0 H LYS A 56 -13.310 0.609 1.258 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.787 1.286 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.660 0.222 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.517 1.750 -0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.184 2.676 -2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.731 1.899 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.255 0.956 -4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.533 -0.278 -2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.978 0.328 -2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.663 1.469 -4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.458 -0.636 -5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.866 -0.362 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.170 -1.466 -4.374 1.00 0.00 H new ATOM 858 N ASP A 57 -12.743 3.860 0.895 1.00 0.00 N ATOM 859 CA ASP A 57 -12.767 5.315 1.019 1.00 0.00 C ATOM 860 C ASP A 57 -11.460 5.830 1.609 1.00 0.00 C ATOM 861 O ASP A 57 -10.998 6.921 1.275 1.00 0.00 O ATOM 862 CB ASP A 57 -13.942 5.755 1.895 1.00 0.00 C ATOM 863 CG ASP A 57 -14.382 7.176 1.601 1.00 0.00 C ATOM 864 OD1 ASP A 57 -15.240 7.361 0.713 1.00 0.00 O ATOM 865 OD2 ASP A 57 -13.868 8.105 2.261 1.00 0.00 O ATOM 0 H ASP A 57 -13.585 3.394 1.232 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.888 5.738 0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.782 5.078 1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.659 5.675 2.945 1.00 0.00 H new ATOM 870 N ASN A 58 -10.865 5.025 2.481 1.00 0.00 N ATOM 871 CA ASN A 58 -9.604 5.387 3.116 1.00 0.00 C ATOM 872 C ASN A 58 -8.458 5.270 2.119 1.00 0.00 C ATOM 873 O ASN A 58 -7.646 6.185 1.980 1.00 0.00 O ATOM 874 CB ASN A 58 -9.342 4.489 4.327 1.00 0.00 C ATOM 875 CG ASN A 58 -10.403 4.641 5.399 1.00 0.00 C ATOM 876 OD1 ASN A 58 -11.515 4.128 5.265 1.00 0.00 O ATOM 877 ND2 ASN A 58 -10.065 5.349 6.472 1.00 0.00 N ATOM 0 H ASN A 58 -11.235 4.118 2.764 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.670 6.421 3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.303 3.449 4.003 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.366 4.728 4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.738 5.485 7.226 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.132 5.756 6.541 1.00 0.00 H new ATOM 884 N ALA A 59 -8.403 4.139 1.426 1.00 0.00 N ATOM 885 CA ALA A 59 -7.363 3.894 0.434 1.00 0.00 C ATOM 886 C ALA A 59 -7.384 4.955 -0.658 1.00 0.00 C ATOM 887 O ALA A 59 -6.341 5.473 -1.045 1.00 0.00 O ATOM 888 CB ALA A 59 -7.539 2.511 -0.171 1.00 0.00 C ATOM 0 H ALA A 59 -9.069 3.374 1.533 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.395 3.946 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.758 2.336 -0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.470 1.759 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.515 2.445 -0.651 1.00 0.00 H new ATOM 894 N ASP A 60 -8.575 5.269 -1.157 1.00 0.00 N ATOM 895 CA ASP A 60 -8.718 6.269 -2.211 1.00 0.00 C ATOM 896 C ASP A 60 -8.166 7.619 -1.765 1.00 0.00 C ATOM 897 O ASP A 60 -7.360 8.233 -2.464 1.00 0.00 O ATOM 898 CB ASP A 60 -10.190 6.413 -2.607 1.00 0.00 C ATOM 899 CG ASP A 60 -10.716 5.190 -3.330 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.955 4.593 -4.120 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.891 4.828 -3.108 1.00 0.00 O ATOM 0 H ASP A 60 -9.452 4.848 -0.851 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.145 5.933 -3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.788 6.589 -1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.308 7.288 -3.246 1.00 0.00 H new ATOM 906 N THR A 61 -8.605 8.077 -0.596 1.00 0.00 N ATOM 907 CA THR A 61 -8.153 9.356 -0.059 1.00 0.00 C ATOM 908 C THR A 61 -6.639 9.365 0.122 1.00 0.00 C ATOM 909 O THR A 61 -5.984 10.386 -0.090 1.00 0.00 O ATOM 910 CB THR A 61 -8.841 9.642 1.278 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.249 9.622 1.129 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.462 10.981 1.872 1.00 0.00 C ATOM 0 H THR A 61 -9.272 7.582 -0.004 1.00 0.00 H new ATOM 0 HA THR A 61 -8.420 10.137 -0.771 1.00 0.00 H new ATOM 0 HB THR A 61 -8.502 8.855 1.952 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.569 8.697 1.170 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.985 11.120 2.818 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.386 11.011 2.044 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.742 11.777 1.182 1.00 0.00 H new ATOM 920 N LEU A 62 -6.085 8.219 0.500 1.00 0.00 N ATOM 921 CA LEU A 62 -4.646 8.082 0.700 1.00 0.00 C ATOM 922 C LEU A 62 -3.930 8.159 -0.621 1.00 0.00 C ATOM 923 O LEU A 62 -2.967 8.904 -0.794 1.00 0.00 O ATOM 924 CB LEU A 62 -4.327 6.714 1.292 1.00 0.00 C ATOM 925 CG LEU A 62 -3.103 6.671 2.201 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.936 7.383 1.546 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.421 7.294 3.553 1.00 0.00 C ATOM 0 H LEU A 62 -6.614 7.365 0.675 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.326 8.883 1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.193 6.370 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.179 6.008 0.475 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.826 5.629 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.069 7.344 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.695 6.894 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.203 8.423 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.536 7.255 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.722 8.332 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.233 6.742 4.026 1.00 0.00 H new ATOM 939 N ALA A 63 -4.398 7.335 -1.542 1.00 0.00 N ATOM 940 CA ALA A 63 -3.803 7.247 -2.845 1.00 0.00 C ATOM 941 C ALA A 63 -3.736 8.617 -3.509 1.00 0.00 C ATOM 942 O ALA A 63 -2.655 9.107 -3.839 1.00 0.00 O ATOM 943 CB ALA A 63 -4.562 6.260 -3.716 1.00 0.00 C ATOM 0 H ALA A 63 -5.196 6.716 -1.400 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.783 6.883 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.095 6.208 -4.699 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.541 5.274 -3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.596 6.589 -3.822 1.00 0.00 H new ATOM 949 N ALA A 64 -4.901 9.235 -3.693 1.00 0.00 N ATOM 950 CA ALA A 64 -4.979 10.555 -4.306 1.00 0.00 C ATOM 951 C ALA A 64 -4.029 11.520 -3.610 1.00 0.00 C ATOM 952 O ALA A 64 -3.402 12.366 -4.250 1.00 0.00 O ATOM 953 CB ALA A 64 -6.406 11.081 -4.254 1.00 0.00 C ATOM 0 H ALA A 64 -5.803 8.841 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.681 10.470 -5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.447 12.068 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.065 10.400 -4.793 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.730 11.153 -3.216 1.00 0.00 H new ATOM 959 N ARG A 65 -3.914 11.374 -2.294 1.00 0.00 N ATOM 960 CA ARG A 65 -3.026 12.215 -1.508 1.00 0.00 C ATOM 961 C ARG A 65 -1.580 11.952 -1.903 1.00 0.00 C ATOM 962 O ARG A 65 -0.776 12.877 -2.012 1.00 0.00 O ATOM 963 CB ARG A 65 -3.223 11.935 -0.019 1.00 0.00 C ATOM 964 CG ARG A 65 -2.929 13.128 0.872 1.00 0.00 C ATOM 965 CD ARG A 65 -3.336 12.853 2.310 1.00 0.00 C ATOM 966 NE ARG A 65 -4.074 13.971 2.895 1.00 0.00 N ATOM 967 CZ ARG A 65 -3.497 15.077 3.361 1.00 0.00 C ATOM 968 NH1 ARG A 65 -2.178 15.216 3.315 1.00 0.00 N ATOM 969 NH2 ARG A 65 -4.242 16.045 3.876 1.00 0.00 N ATOM 0 H ARG A 65 -4.427 10.679 -1.751 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.262 13.261 -1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.251 11.613 0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.578 11.107 0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.865 13.363 0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.463 14.003 0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.951 11.954 2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.446 12.655 2.907 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.090 13.900 2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.600 14.473 2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.742 16.066 3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.256 15.942 3.915 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.801 16.893 4.233 1.00 0.00 H new ATOM 983 N ALA A 66 -1.262 10.681 -2.133 1.00 0.00 N ATOM 984 CA ALA A 66 0.079 10.296 -2.537 1.00 0.00 C ATOM 985 C ALA A 66 0.397 10.897 -3.894 1.00 0.00 C ATOM 986 O ALA A 66 1.495 11.396 -4.121 1.00 0.00 O ATOM 987 CB ALA A 66 0.222 8.782 -2.561 1.00 0.00 C ATOM 0 H ALA A 66 -1.917 9.904 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 66 0.793 10.681 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.234 8.517 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.027 8.382 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.492 8.360 -3.268 1.00 0.00 H new ATOM 993 N LYS A 67 -0.588 10.870 -4.785 1.00 0.00 N ATOM 994 CA LYS A 67 -0.421 11.436 -6.113 1.00 0.00 C ATOM 995 C LYS A 67 -0.154 12.930 -6.003 1.00 0.00 C ATOM 996 O LYS A 67 0.774 13.457 -6.616 1.00 0.00 O ATOM 997 CB LYS A 67 -1.662 11.181 -6.967 1.00 0.00 C ATOM 998 CG LYS A 67 -1.745 9.766 -7.513 1.00 0.00 C ATOM 999 CD LYS A 67 -3.152 9.429 -7.975 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.187 8.113 -8.737 1.00 0.00 C ATOM 1001 NZ LYS A 67 -2.674 8.262 -10.127 1.00 0.00 N ATOM 0 H LYS A 67 -1.507 10.463 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 67 0.429 10.955 -6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.551 11.384 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.670 11.884 -7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.051 9.655 -8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.435 9.059 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.815 9.369 -7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.529 10.230 -8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.590 7.371 -8.207 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.210 7.737 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.746 7.351 -10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.238 8.976 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.679 8.563 -10.099 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.960 13.600 -5.187 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.803 15.028 -4.959 1.00 0.00 C ATOM 1017 C ASN A 68 0.473 15.287 -4.164 1.00 0.00 C ATOM 1018 O ASN A 68 1.065 16.365 -4.242 1.00 0.00 O ATOM 1019 CB ASN A 68 -2.013 15.576 -4.202 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.215 17.063 -4.429 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -3.198 17.481 -5.039 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -1.279 17.868 -3.939 1.00 0.00 N ATOM 0 H ASN A 68 -1.730 13.174 -4.672 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.733 15.536 -5.921 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.908 15.039 -4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.886 15.388 -3.136 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.359 18.877 -4.062 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.480 17.477 -3.439 1.00 0.00 H new ATOM 1029 N ALA A 69 0.889 14.278 -3.402 1.00 0.00 N ATOM 1030 CA ALA A 69 2.090 14.362 -2.586 1.00 0.00 C ATOM 1031 C ALA A 69 3.349 14.210 -3.433 1.00 0.00 C ATOM 1032 O ALA A 69 4.433 14.635 -3.033 1.00 0.00 O ATOM 1033 CB ALA A 69 2.056 13.287 -1.512 1.00 0.00 C ATOM 0 H ALA A 69 0.403 13.384 -3.335 1.00 0.00 H new ATOM 0 HA ALA A 69 2.116 15.347 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.957 13.353 -0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.179 13.431 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.007 12.305 -1.982 1.00 0.00 H new ATOM 1039 N GLY A 70 3.203 13.589 -4.599 1.00 0.00 N ATOM 1040 CA GLY A 70 4.335 13.377 -5.477 1.00 0.00 C ATOM 1041 C GLY A 70 4.698 11.911 -5.562 1.00 0.00 C ATOM 1042 O GLY A 70 5.840 11.559 -5.861 1.00 0.00 O ATOM 0 H GLY A 70 2.316 13.228 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.101 13.754 -6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.191 13.945 -5.114 1.00 0.00 H new ATOM 1046 N PHE A 71 3.720 11.055 -5.283 1.00 0.00 N ATOM 1047 CA PHE A 71 3.921 9.618 -5.307 1.00 0.00 C ATOM 1048 C PHE A 71 2.818 8.956 -6.123 1.00 0.00 C ATOM 1049 O PHE A 71 1.694 9.444 -6.162 1.00 0.00 O ATOM 1050 CB PHE A 71 3.902 9.069 -3.879 1.00 0.00 C ATOM 1051 CG PHE A 71 4.410 10.044 -2.850 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.632 10.675 -3.014 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.655 10.337 -1.721 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.095 11.577 -2.075 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.112 11.239 -0.781 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.334 11.861 -0.956 1.00 0.00 C ATOM 0 H PHE A 71 2.772 11.340 -5.036 1.00 0.00 H new ATOM 0 HA PHE A 71 4.886 9.401 -5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.882 8.782 -3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.507 8.163 -3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.231 10.459 -3.887 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.700 9.854 -1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.051 12.060 -2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.515 11.459 0.091 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.693 12.566 -0.221 1.00 0.00 H new ATOM 1066 N ASP A 72 3.133 7.844 -6.770 1.00 0.00 N ATOM 1067 CA ASP A 72 2.146 7.139 -7.578 1.00 0.00 C ATOM 1068 C ASP A 72 1.437 6.070 -6.756 1.00 0.00 C ATOM 1069 O ASP A 72 1.694 4.877 -6.925 1.00 0.00 O ATOM 1070 CB ASP A 72 2.814 6.504 -8.799 1.00 0.00 C ATOM 1071 CG ASP A 72 1.806 5.933 -9.778 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.702 6.505 -9.895 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.121 4.914 -10.426 1.00 0.00 O ATOM 0 H ASP A 72 4.057 7.412 -6.753 1.00 0.00 H new ATOM 0 HA ASP A 72 1.404 7.863 -7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.425 7.251 -9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.487 5.712 -8.471 1.00 0.00 H new ATOM 1078 N ALA A 73 0.537 6.493 -5.866 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.201 5.554 -5.028 1.00 0.00 C ATOM 1080 C ALA A 73 -1.446 5.025 -5.730 1.00 0.00 C ATOM 1081 O ALA A 73 -2.154 5.766 -6.414 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.591 6.208 -3.714 1.00 0.00 C ATOM 0 H ALA A 73 0.305 7.474 -5.710 1.00 0.00 H new ATOM 0 HA ALA A 73 0.459 4.709 -4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.141 5.494 -3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.308 6.525 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.220 7.076 -3.912 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.711 3.739 -5.541 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.875 3.091 -6.130 1.00 0.00 C ATOM 1090 C ILE A 74 -3.600 2.261 -5.078 1.00 0.00 C ATOM 1091 O ILE A 74 -2.974 1.740 -4.157 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.484 2.182 -7.311 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.478 1.123 -6.860 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.914 3.011 -8.452 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.753 -0.253 -7.428 1.00 0.00 C ATOM 0 H ILE A 74 -1.129 3.119 -4.978 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.532 3.876 -6.504 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.379 1.674 -7.669 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.477 1.436 -7.156 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.486 1.066 -5.772 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.643 2.354 -9.279 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.662 3.729 -8.789 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.029 3.545 -8.107 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.000 -0.953 -7.066 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.741 -0.587 -7.111 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.716 -0.211 -8.517 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.913 2.129 -5.217 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.695 1.349 -4.265 1.00 0.00 C ATOM 1109 C VAL A 75 -6.053 -0.013 -4.841 1.00 0.00 C ATOM 1110 O VAL A 75 -6.453 -0.125 -5.999 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.984 2.086 -3.847 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.841 1.209 -2.940 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.641 3.400 -3.158 1.00 0.00 C ATOM 0 H VAL A 75 -5.455 2.548 -5.973 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.073 1.212 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.561 2.306 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.744 1.750 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.115 0.296 -3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.277 0.953 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.560 3.910 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.042 3.200 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.075 4.033 -3.842 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.903 -1.049 -4.023 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.208 -2.403 -4.449 1.00 0.00 C ATOM 1125 C ILE A 76 -6.925 -3.183 -3.353 1.00 0.00 C ATOM 1126 O ILE A 76 -6.590 -3.067 -2.169 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.931 -3.168 -4.851 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.872 -3.045 -3.755 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.396 -2.644 -6.176 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -3.082 -4.316 -3.533 1.00 0.00 C ATOM 0 H ILE A 76 -5.572 -0.973 -3.061 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.863 -2.316 -5.316 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.178 -4.222 -4.973 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.184 -2.240 -4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.358 -2.761 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.494 -3.193 -6.447 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.150 -2.779 -6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.160 -1.584 -6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.349 -4.156 -2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.759 -5.119 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.567 -4.590 -4.454 1.00 0.00 H new