USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 672 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 67 THR OG1 : rot -115:sc= 0.455 USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0.426 USER MOD Single : A 16 SER OG : rot 78:sc= 0.0418 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 26 LYS NZ :NH3+ 166:sc= 0.458 (180deg=0.359) USER MOD Single : A 27 THR OG1 : rot -160:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.24) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= 0.656 (180deg=0.26) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0.686 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -176:sc= -0.809 (180deg=-0.873) USER MOD Single : A 59 THR OG1 : rot 105:sc= -0.61 USER MOD Single : A 66 SER OG : rot 180:sc= -0.551 USER MOD Single : A 70 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.4) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 88:sc= 0.51 USER MOD Single : A 79 LYS NZ :NH3+ -126:sc= -1.83! (180deg=-5.5!) USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= 0.876 (180deg=0.764) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0356 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.685 K(o=-0.68,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 9 10.318 6.395 3.892 1.00 0.00 N ATOM 129 CA ALA A 9 10.910 6.745 2.565 1.00 0.00 C ATOM 130 C ALA A 9 10.984 5.498 1.683 1.00 0.00 C ATOM 131 O ALA A 9 10.648 5.538 0.513 1.00 0.00 O ATOM 132 CB ALA A 9 12.316 7.272 2.869 1.00 0.00 C ATOM 0 HA ALA A 9 10.313 7.484 2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.810 7.549 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.245 8.147 3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.895 6.496 3.370 1.00 0.00 H new ATOM 138 N VAL A 10 11.399 4.385 2.237 1.00 0.00 N ATOM 139 CA VAL A 10 11.467 3.133 1.427 1.00 0.00 C ATOM 140 C VAL A 10 10.043 2.689 1.099 1.00 0.00 C ATOM 141 O VAL A 10 9.753 2.252 0.001 1.00 0.00 O ATOM 142 CB VAL A 10 12.187 2.099 2.306 1.00 0.00 C ATOM 143 CG1 VAL A 10 12.179 0.736 1.610 1.00 0.00 C ATOM 144 CG2 VAL A 10 13.639 2.535 2.531 1.00 0.00 C ATOM 0 H VAL A 10 11.692 4.291 3.210 1.00 0.00 H new ATOM 0 HA VAL A 10 12.000 3.264 0.485 1.00 0.00 H new ATOM 0 HB VAL A 10 11.672 2.026 3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.690 0.005 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.150 0.417 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.691 0.814 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.147 1.800 3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.149 2.611 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.655 3.505 3.028 1.00 0.00 H new ATOM 154 N ALA A 11 9.147 2.838 2.040 1.00 0.00 N ATOM 155 CA ALA A 11 7.733 2.468 1.787 1.00 0.00 C ATOM 156 C ALA A 11 7.180 3.373 0.686 1.00 0.00 C ATOM 157 O ALA A 11 6.559 2.909 -0.249 1.00 0.00 O ATOM 158 CB ALA A 11 7.008 2.713 3.112 1.00 0.00 C ATOM 0 H ALA A 11 9.339 3.201 2.973 1.00 0.00 H new ATOM 0 HA ALA A 11 7.612 1.435 1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.953 2.461 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.451 2.091 3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.103 3.763 3.390 1.00 0.00 H new ATOM 164 N ALA A 12 7.427 4.664 0.782 1.00 0.00 N ATOM 165 CA ALA A 12 6.936 5.614 -0.265 1.00 0.00 C ATOM 166 C ALA A 12 7.364 5.130 -1.651 1.00 0.00 C ATOM 167 O ALA A 12 6.573 5.106 -2.574 1.00 0.00 O ATOM 168 CB ALA A 12 7.592 6.958 0.067 1.00 0.00 C ATOM 0 H ALA A 12 7.949 5.097 1.544 1.00 0.00 H new ATOM 0 HA ALA A 12 5.849 5.692 -0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.277 7.706 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.290 7.274 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.676 6.852 0.033 1.00 0.00 H new ATOM 174 N ALA A 13 8.603 4.721 -1.797 1.00 0.00 N ATOM 175 CA ALA A 13 9.070 4.212 -3.123 1.00 0.00 C ATOM 176 C ALA A 13 8.238 2.990 -3.520 1.00 0.00 C ATOM 177 O ALA A 13 7.854 2.838 -4.665 1.00 0.00 O ATOM 178 CB ALA A 13 10.540 3.834 -2.923 1.00 0.00 C ATOM 0 H ALA A 13 9.306 4.718 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 13 8.961 4.950 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.948 3.452 -3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.103 4.715 -2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.617 3.066 -2.153 1.00 0.00 H new ATOM 184 N VAL A 14 7.937 2.131 -2.574 1.00 0.00 N ATOM 185 CA VAL A 14 7.103 0.930 -2.887 1.00 0.00 C ATOM 186 C VAL A 14 5.728 1.385 -3.396 1.00 0.00 C ATOM 187 O VAL A 14 5.221 0.868 -4.373 1.00 0.00 O ATOM 188 CB VAL A 14 6.966 0.156 -1.565 1.00 0.00 C ATOM 189 CG1 VAL A 14 6.062 -1.064 -1.772 1.00 0.00 C ATOM 190 CG2 VAL A 14 8.347 -0.313 -1.094 1.00 0.00 C ATOM 0 H VAL A 14 8.233 2.211 -1.601 1.00 0.00 H new ATOM 0 HA VAL A 14 7.551 0.305 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 14 6.528 0.812 -0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.967 -1.610 -0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.077 -0.735 -2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.498 -1.716 -2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.245 -0.861 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.787 -0.964 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.992 0.552 -0.940 1.00 0.00 H new ATOM 200 N ALA A 15 5.132 2.362 -2.745 1.00 0.00 N ATOM 201 CA ALA A 15 3.797 2.869 -3.199 1.00 0.00 C ATOM 202 C ALA A 15 3.889 3.364 -4.643 1.00 0.00 C ATOM 203 O ALA A 15 3.023 3.092 -5.454 1.00 0.00 O ATOM 204 CB ALA A 15 3.458 4.036 -2.273 1.00 0.00 C ATOM 0 H ALA A 15 5.513 2.827 -1.921 1.00 0.00 H new ATOM 0 HA ALA A 15 3.037 2.088 -3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.490 4.453 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.417 3.683 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.224 4.806 -2.362 1.00 0.00 H new ATOM 210 N SER A 16 4.938 4.084 -4.970 1.00 0.00 N ATOM 211 CA SER A 16 5.096 4.589 -6.366 1.00 0.00 C ATOM 212 C SER A 16 5.128 3.405 -7.337 1.00 0.00 C ATOM 213 O SER A 16 4.520 3.435 -8.390 1.00 0.00 O ATOM 214 CB SER A 16 6.431 5.335 -6.383 1.00 0.00 C ATOM 215 OG SER A 16 6.348 6.466 -5.524 1.00 0.00 O ATOM 0 H SER A 16 5.688 4.341 -4.329 1.00 0.00 H new ATOM 0 HA SER A 16 4.275 5.239 -6.668 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.234 4.674 -6.057 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.671 5.652 -7.398 1.00 0.00 H new ATOM 0 HG SER A 16 6.436 6.176 -4.592 1.00 0.00 H new ATOM 221 N LYS A 17 5.823 2.354 -6.974 1.00 0.00 N ATOM 222 CA LYS A 17 5.884 1.154 -7.856 1.00 0.00 C ATOM 223 C LYS A 17 4.517 0.449 -7.883 1.00 0.00 C ATOM 224 O LYS A 17 4.128 -0.116 -8.887 1.00 0.00 O ATOM 225 CB LYS A 17 6.962 0.257 -7.238 1.00 0.00 C ATOM 226 CG LYS A 17 7.538 -0.669 -8.314 1.00 0.00 C ATOM 227 CD LYS A 17 8.908 -0.147 -8.761 1.00 0.00 C ATOM 228 CE LYS A 17 8.736 0.817 -9.943 1.00 0.00 C ATOM 229 NZ LYS A 17 9.251 2.131 -9.457 1.00 0.00 N ATOM 0 H LYS A 17 6.350 2.279 -6.104 1.00 0.00 H new ATOM 0 HA LYS A 17 6.123 1.406 -8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.755 0.868 -6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.537 -0.333 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.633 -1.682 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.860 -0.718 -9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.401 0.362 -7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.549 -0.980 -9.050 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.293 0.474 -10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.690 0.890 -10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.165 2.839 -10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.697 2.437 -8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.251 2.034 -9.187 1.00 0.00 H new ATOM 243 N ILE A 18 3.782 0.494 -6.794 1.00 0.00 N ATOM 244 CA ILE A 18 2.438 -0.157 -6.767 1.00 0.00 C ATOM 245 C ILE A 18 1.449 0.657 -7.611 1.00 0.00 C ATOM 246 O ILE A 18 0.716 0.112 -8.407 1.00 0.00 O ATOM 247 CB ILE A 18 1.998 -0.164 -5.292 1.00 0.00 C ATOM 248 CG1 ILE A 18 2.717 -1.297 -4.543 1.00 0.00 C ATOM 249 CG2 ILE A 18 0.480 -0.383 -5.212 1.00 0.00 C ATOM 250 CD1 ILE A 18 2.070 -1.506 -3.168 1.00 0.00 C ATOM 0 H ILE A 18 4.058 0.954 -5.926 1.00 0.00 H new ATOM 0 HA ILE A 18 2.470 -1.167 -7.176 1.00 0.00 H new ATOM 0 HB ILE A 18 2.254 0.792 -4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.665 -2.218 -5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.773 -1.054 -4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.168 -0.388 -4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.032 0.421 -5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.225 -1.338 -5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.584 -2.310 -2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.145 -0.587 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.020 -1.769 -3.296 1.00 0.00 H new ATOM 262 N VAL A 19 1.424 1.957 -7.438 1.00 0.00 N ATOM 263 CA VAL A 19 0.471 2.800 -8.229 1.00 0.00 C ATOM 264 C VAL A 19 0.874 2.801 -9.709 1.00 0.00 C ATOM 265 O VAL A 19 0.033 2.753 -10.586 1.00 0.00 O ATOM 266 CB VAL A 19 0.566 4.212 -7.632 1.00 0.00 C ATOM 267 CG1 VAL A 19 -0.237 5.190 -8.494 1.00 0.00 C ATOM 268 CG2 VAL A 19 -0.011 4.213 -6.209 1.00 0.00 C ATOM 0 H VAL A 19 2.019 2.469 -6.787 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.550 2.420 -8.178 1.00 0.00 H new ATOM 0 HB VAL A 19 1.612 4.516 -7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.168 6.191 -8.069 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.166 5.198 -9.507 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.281 4.878 -8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.058 5.216 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.056 3.904 -6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.554 3.519 -5.587 1.00 0.00 H new ATOM 278 N GLY A 20 2.153 2.847 -9.991 1.00 0.00 N ATOM 279 CA GLY A 20 2.612 2.844 -11.413 1.00 0.00 C ATOM 280 C GLY A 20 2.391 1.459 -12.048 1.00 0.00 C ATOM 281 O GLY A 20 2.424 1.319 -13.256 1.00 0.00 O ATOM 0 H GLY A 20 2.899 2.887 -9.296 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.068 3.601 -11.978 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.668 3.108 -11.461 1.00 0.00 H new ATOM 285 N LEU A 21 2.176 0.433 -11.253 1.00 0.00 N ATOM 286 CA LEU A 21 1.968 -0.932 -11.824 1.00 0.00 C ATOM 287 C LEU A 21 0.675 -1.576 -11.288 1.00 0.00 C ATOM 288 O LEU A 21 0.545 -2.786 -11.277 1.00 0.00 O ATOM 289 CB LEU A 21 3.193 -1.729 -11.369 1.00 0.00 C ATOM 290 CG LEU A 21 3.505 -2.825 -12.392 1.00 0.00 C ATOM 291 CD1 LEU A 21 4.683 -2.388 -13.264 1.00 0.00 C ATOM 292 CD2 LEU A 21 3.870 -4.120 -11.659 1.00 0.00 C ATOM 0 H LEU A 21 2.136 0.486 -10.235 1.00 0.00 H new ATOM 0 HA LEU A 21 1.862 -0.905 -12.909 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.051 -1.065 -11.260 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.007 -2.173 -10.391 1.00 0.00 H new ATOM 0 HG LEU A 21 2.630 -2.995 -13.019 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.906 -3.168 -13.992 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.427 -1.466 -13.786 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.557 -2.218 -12.636 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.092 -4.900 -12.387 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.745 -3.949 -11.032 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.033 -4.433 -11.035 1.00 0.00 H new ATOM 304 N TRP A 22 -0.283 -0.791 -10.851 1.00 0.00 N ATOM 305 CA TRP A 22 -1.551 -1.387 -10.328 1.00 0.00 C ATOM 306 C TRP A 22 -2.587 -1.508 -11.453 1.00 0.00 C ATOM 307 O TRP A 22 -2.785 -0.593 -12.231 1.00 0.00 O ATOM 308 CB TRP A 22 -2.048 -0.425 -9.238 1.00 0.00 C ATOM 309 CG TRP A 22 -3.407 -0.852 -8.767 1.00 0.00 C ATOM 310 CD1 TRP A 22 -3.769 -2.128 -8.486 1.00 0.00 C ATOM 311 CD2 TRP A 22 -4.585 -0.032 -8.517 1.00 0.00 C ATOM 312 NE1 TRP A 22 -5.094 -2.141 -8.094 1.00 0.00 N ATOM 313 CE2 TRP A 22 -5.640 -0.874 -8.093 1.00 0.00 C ATOM 314 CE3 TRP A 22 -4.838 1.347 -8.619 1.00 0.00 C ATOM 315 CZ2 TRP A 22 -6.902 -0.364 -7.780 1.00 0.00 C ATOM 316 CZ3 TRP A 22 -6.107 1.863 -8.305 1.00 0.00 C ATOM 317 CH2 TRP A 22 -7.136 1.008 -7.887 1.00 0.00 C ATOM 0 H TRP A 22 -0.241 0.228 -10.834 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.391 -2.390 -9.932 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -1.349 -0.416 -8.402 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.091 0.592 -9.629 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.127 -2.993 -8.557 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.606 -2.985 -7.837 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.052 2.014 -8.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.691 -1.027 -7.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.290 2.924 -8.386 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.109 1.410 -7.648 1.00 0.00 H new ATOM 328 N ARG A 23 -3.256 -2.629 -11.531 1.00 0.00 N ATOM 329 CA ARG A 23 -4.293 -2.825 -12.585 1.00 0.00 C ATOM 330 C ARG A 23 -5.683 -2.560 -11.990 1.00 0.00 C ATOM 331 O ARG A 23 -5.804 -2.020 -10.907 1.00 0.00 O ATOM 332 CB ARG A 23 -4.138 -4.291 -13.014 1.00 0.00 C ATOM 333 CG ARG A 23 -4.541 -4.446 -14.484 1.00 0.00 C ATOM 334 CD ARG A 23 -3.531 -5.346 -15.206 1.00 0.00 C ATOM 335 NE ARG A 23 -3.048 -4.538 -16.363 1.00 0.00 N ATOM 336 CZ ARG A 23 -1.766 -4.337 -16.533 1.00 0.00 C ATOM 337 NH1 ARG A 23 -1.145 -3.434 -15.818 1.00 0.00 N ATOM 338 NH2 ARG A 23 -1.109 -5.040 -17.417 1.00 0.00 N ATOM 0 H ARG A 23 -3.126 -3.423 -10.904 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.179 -2.148 -13.432 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.106 -4.613 -12.874 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.760 -4.931 -12.387 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.540 -4.876 -14.554 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.580 -3.469 -14.965 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.708 -5.622 -14.547 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.997 -6.273 -15.540 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.718 -4.142 -17.022 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.660 -2.887 -15.128 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.146 -3.277 -15.950 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.595 -5.744 -17.973 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.110 -4.885 -17.551 1.00 0.00 H new ATOM 352 N ASN A 24 -6.732 -2.928 -12.688 1.00 0.00 N ATOM 353 CA ASN A 24 -8.117 -2.695 -12.159 1.00 0.00 C ATOM 354 C ASN A 24 -8.238 -3.207 -10.718 1.00 0.00 C ATOM 355 O ASN A 24 -8.832 -2.566 -9.870 1.00 0.00 O ATOM 356 CB ASN A 24 -9.039 -3.500 -13.078 1.00 0.00 C ATOM 357 CG ASN A 24 -9.595 -2.593 -14.179 1.00 0.00 C ATOM 358 OD1 ASN A 24 -10.190 -1.572 -13.899 1.00 0.00 O ATOM 359 ND2 ASN A 24 -9.426 -2.926 -15.429 1.00 0.00 N ATOM 0 H ASN A 24 -6.690 -3.380 -13.602 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.369 -1.635 -12.145 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.490 -4.331 -13.521 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.857 -3.930 -12.501 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.793 -2.329 -16.170 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.926 -3.783 -15.665 1.00 0.00 H new ATOM 366 N GLU A 25 -7.673 -4.356 -10.439 1.00 0.00 N ATOM 367 CA GLU A 25 -7.744 -4.922 -9.056 1.00 0.00 C ATOM 368 C GLU A 25 -6.613 -5.939 -8.833 1.00 0.00 C ATOM 369 O GLU A 25 -6.797 -6.955 -8.188 1.00 0.00 O ATOM 370 CB GLU A 25 -9.119 -5.603 -8.971 1.00 0.00 C ATOM 371 CG GLU A 25 -9.246 -6.683 -10.058 1.00 0.00 C ATOM 372 CD GLU A 25 -10.569 -6.509 -10.812 1.00 0.00 C ATOM 373 OE1 GLU A 25 -11.606 -6.748 -10.216 1.00 0.00 O ATOM 374 OE2 GLU A 25 -10.522 -6.146 -11.976 1.00 0.00 O ATOM 0 H GLU A 25 -7.164 -4.928 -11.112 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.626 -4.155 -8.291 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.251 -6.051 -7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.908 -4.861 -9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.409 -6.613 -10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.202 -7.674 -9.606 1.00 0.00 H new ATOM 381 N LYS A 26 -5.445 -5.673 -9.368 1.00 0.00 N ATOM 382 CA LYS A 26 -4.305 -6.624 -9.193 1.00 0.00 C ATOM 383 C LYS A 26 -2.973 -5.867 -9.121 1.00 0.00 C ATOM 384 O LYS A 26 -2.798 -4.841 -9.747 1.00 0.00 O ATOM 385 CB LYS A 26 -4.348 -7.513 -10.438 1.00 0.00 C ATOM 386 CG LYS A 26 -3.536 -8.789 -10.190 1.00 0.00 C ATOM 387 CD LYS A 26 -3.110 -9.398 -11.530 1.00 0.00 C ATOM 388 CE LYS A 26 -1.588 -9.286 -11.687 1.00 0.00 C ATOM 389 NZ LYS A 26 -1.170 -10.551 -12.356 1.00 0.00 N ATOM 0 H LYS A 26 -5.234 -4.840 -9.917 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.386 -7.198 -8.270 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.380 -7.768 -10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.944 -6.974 -11.295 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.657 -8.561 -9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.132 -9.507 -9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.415 -10.443 -11.579 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.609 -8.882 -12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.317 -8.416 -12.285 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.100 -9.172 -10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.197 -10.452 -12.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.213 -11.335 -11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.808 -10.750 -13.153 1.00 0.00 H new ATOM 403 N THR A 27 -2.031 -6.377 -8.367 1.00 0.00 N ATOM 404 CA THR A 27 -0.700 -5.707 -8.247 1.00 0.00 C ATOM 405 C THR A 27 0.358 -6.734 -7.825 1.00 0.00 C ATOM 406 O THR A 27 0.044 -7.743 -7.226 1.00 0.00 O ATOM 407 CB THR A 27 -0.884 -4.626 -7.168 1.00 0.00 C ATOM 408 OG1 THR A 27 0.344 -3.931 -6.970 1.00 0.00 O ATOM 409 CG2 THR A 27 -1.329 -5.268 -5.849 1.00 0.00 C ATOM 0 H THR A 27 -2.128 -7.236 -7.825 1.00 0.00 H new ATOM 0 HA THR A 27 -0.364 -5.271 -9.188 1.00 0.00 H new ATOM 0 HB THR A 27 -1.650 -3.924 -7.498 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.329 -3.482 -6.099 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.456 -4.494 -5.092 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.275 -5.788 -5.999 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.572 -5.979 -5.517 1.00 0.00 H new ATOM 417 N GLU A 28 1.604 -6.489 -8.130 1.00 0.00 N ATOM 418 CA GLU A 28 2.672 -7.456 -7.739 1.00 0.00 C ATOM 419 C GLU A 28 3.572 -6.842 -6.665 1.00 0.00 C ATOM 420 O GLU A 28 3.764 -5.643 -6.618 1.00 0.00 O ATOM 421 CB GLU A 28 3.467 -7.720 -9.022 1.00 0.00 C ATOM 422 CG GLU A 28 2.862 -8.917 -9.763 1.00 0.00 C ATOM 423 CD GLU A 28 3.973 -9.712 -10.454 1.00 0.00 C ATOM 424 OE1 GLU A 28 4.642 -10.473 -9.771 1.00 0.00 O ATOM 425 OE2 GLU A 28 4.135 -9.548 -11.654 1.00 0.00 O ATOM 0 H GLU A 28 1.929 -5.663 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 28 2.261 -8.376 -7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.450 -6.837 -9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.511 -7.918 -8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.325 -9.557 -9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.136 -8.572 -10.500 1.00 0.00 H new ATOM 432 N LEU A 29 4.128 -7.655 -5.804 1.00 0.00 N ATOM 433 CA LEU A 29 5.023 -7.122 -4.733 1.00 0.00 C ATOM 434 C LEU A 29 6.180 -8.096 -4.483 1.00 0.00 C ATOM 435 O LEU A 29 5.970 -9.260 -4.197 1.00 0.00 O ATOM 436 CB LEU A 29 4.141 -6.995 -3.488 1.00 0.00 C ATOM 437 CG LEU A 29 3.506 -5.600 -3.451 1.00 0.00 C ATOM 438 CD1 LEU A 29 2.243 -5.632 -2.590 1.00 0.00 C ATOM 439 CD2 LEU A 29 4.505 -4.603 -2.855 1.00 0.00 C ATOM 0 H LEU A 29 4.001 -8.667 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 29 5.466 -6.164 -5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.364 -7.760 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.736 -7.159 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 29 3.244 -5.294 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.794 -4.639 -2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.532 -6.341 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.501 -5.938 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.056 -3.610 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.766 -4.911 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.404 -4.577 -3.470 1.00 0.00 H new ATOM 451 N LEU A 30 7.401 -7.623 -4.598 1.00 0.00 N ATOM 452 CA LEU A 30 8.600 -8.499 -4.381 1.00 0.00 C ATOM 453 C LEU A 30 8.528 -9.767 -5.250 1.00 0.00 C ATOM 454 O LEU A 30 8.962 -10.831 -4.846 1.00 0.00 O ATOM 455 CB LEU A 30 8.578 -8.859 -2.893 1.00 0.00 C ATOM 456 CG LEU A 30 10.005 -8.821 -2.343 1.00 0.00 C ATOM 457 CD1 LEU A 30 10.411 -7.371 -2.068 1.00 0.00 C ATOM 458 CD2 LEU A 30 10.071 -9.626 -1.044 1.00 0.00 C ATOM 0 H LEU A 30 7.620 -6.656 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 30 9.522 -7.990 -4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.947 -8.158 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.148 -9.851 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 30 10.687 -9.254 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.428 -7.346 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.365 -6.798 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.730 -6.935 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.087 -9.600 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.388 -9.194 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.785 -10.659 -1.241 1.00 0.00 H new ATOM 470 N GLY A 31 7.989 -9.657 -6.438 1.00 0.00 N ATOM 471 CA GLY A 31 7.888 -10.849 -7.336 1.00 0.00 C ATOM 472 C GLY A 31 6.746 -11.764 -6.876 1.00 0.00 C ATOM 473 O GLY A 31 6.772 -12.959 -7.111 1.00 0.00 O ATOM 0 H GLY A 31 7.614 -8.792 -6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.714 -10.526 -8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.829 -11.399 -7.330 1.00 0.00 H new ATOM 477 N HIS A 32 5.744 -11.220 -6.224 1.00 0.00 N ATOM 478 CA HIS A 32 4.603 -12.059 -5.754 1.00 0.00 C ATOM 479 C HIS A 32 3.280 -11.480 -6.268 1.00 0.00 C ATOM 480 O HIS A 32 3.211 -10.337 -6.684 1.00 0.00 O ATOM 481 CB HIS A 32 4.651 -11.987 -4.227 1.00 0.00 C ATOM 482 CG HIS A 32 5.927 -12.601 -3.718 1.00 0.00 C ATOM 483 ND1 HIS A 32 6.368 -13.852 -4.126 1.00 0.00 N ATOM 484 CD2 HIS A 32 6.871 -12.143 -2.834 1.00 0.00 C ATOM 485 CE1 HIS A 32 7.529 -14.098 -3.492 1.00 0.00 C ATOM 486 NE2 HIS A 32 7.881 -13.089 -2.692 1.00 0.00 N ATOM 0 H HIS A 32 5.671 -10.228 -5.998 1.00 0.00 H new ATOM 0 HA HIS A 32 4.673 -13.085 -6.116 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.584 -10.949 -3.902 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.793 -12.510 -3.804 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.835 -11.191 -2.325 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.106 -15.002 -3.615 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.712 -13.025 -2.103 1.00 0.00 H new ATOM 494 N GLU A 33 2.229 -12.258 -6.232 1.00 0.00 N ATOM 495 CA GLU A 33 0.909 -11.755 -6.710 1.00 0.00 C ATOM 496 C GLU A 33 0.134 -11.131 -5.542 1.00 0.00 C ATOM 497 O GLU A 33 -0.002 -11.724 -4.487 1.00 0.00 O ATOM 498 CB GLU A 33 0.187 -12.994 -7.254 1.00 0.00 C ATOM 499 CG GLU A 33 -1.261 -12.647 -7.619 1.00 0.00 C ATOM 500 CD GLU A 33 -1.442 -12.728 -9.137 1.00 0.00 C ATOM 501 OE1 GLU A 33 -1.316 -13.816 -9.676 1.00 0.00 O ATOM 502 OE2 GLU A 33 -1.702 -11.698 -9.736 1.00 0.00 O ATOM 0 H GLU A 33 2.229 -13.220 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 33 1.004 -10.981 -7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.710 -13.372 -8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.201 -13.789 -6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.946 -13.335 -7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.505 -11.645 -7.267 1.00 0.00 H new ATOM 509 N CYS A 34 -0.376 -9.941 -5.728 1.00 0.00 N ATOM 510 CA CYS A 34 -1.147 -9.271 -4.640 1.00 0.00 C ATOM 511 C CYS A 34 -2.438 -8.672 -5.203 1.00 0.00 C ATOM 512 O CYS A 34 -2.619 -8.572 -6.405 1.00 0.00 O ATOM 513 CB CYS A 34 -0.231 -8.169 -4.104 1.00 0.00 C ATOM 514 SG CYS A 34 1.123 -8.912 -3.157 1.00 0.00 S ATOM 0 H CYS A 34 -0.291 -9.403 -6.590 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.433 -9.969 -3.853 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.169 -7.581 -4.930 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.798 -7.486 -3.472 1.00 0.00 H new ATOM 519 N LYS A 35 -3.341 -8.278 -4.347 1.00 0.00 N ATOM 520 CA LYS A 35 -4.625 -7.693 -4.827 1.00 0.00 C ATOM 521 C LYS A 35 -4.876 -6.324 -4.185 1.00 0.00 C ATOM 522 O LYS A 35 -5.160 -6.218 -3.006 1.00 0.00 O ATOM 523 CB LYS A 35 -5.691 -8.697 -4.399 1.00 0.00 C ATOM 524 CG LYS A 35 -6.939 -8.527 -5.269 1.00 0.00 C ATOM 525 CD LYS A 35 -7.565 -9.899 -5.540 1.00 0.00 C ATOM 526 CE LYS A 35 -6.941 -10.515 -6.800 1.00 0.00 C ATOM 527 NZ LYS A 35 -7.480 -9.718 -7.943 1.00 0.00 N ATOM 0 H LYS A 35 -3.244 -8.336 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.624 -7.527 -5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.306 -9.713 -4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.944 -8.548 -3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.659 -7.880 -4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.676 -8.043 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.406 -10.557 -4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.643 -9.798 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.853 -10.464 -6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.207 -11.568 -6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.368 -10.257 -8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.488 -9.520 -7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.959 -8.821 -8.017 1.00 0.00 H new ATOM 541 N PHE A 36 -4.787 -5.281 -4.965 1.00 0.00 N ATOM 542 CA PHE A 36 -5.031 -3.904 -4.438 1.00 0.00 C ATOM 543 C PHE A 36 -6.334 -3.364 -5.043 1.00 0.00 C ATOM 544 O PHE A 36 -6.582 -3.527 -6.222 1.00 0.00 O ATOM 545 CB PHE A 36 -3.819 -3.088 -4.912 1.00 0.00 C ATOM 546 CG PHE A 36 -3.871 -1.684 -4.348 1.00 0.00 C ATOM 547 CD1 PHE A 36 -4.769 -0.749 -4.878 1.00 0.00 C ATOM 548 CD2 PHE A 36 -3.015 -1.315 -3.303 1.00 0.00 C ATOM 549 CE1 PHE A 36 -4.813 0.549 -4.363 1.00 0.00 C ATOM 550 CE2 PHE A 36 -3.061 -0.015 -2.788 1.00 0.00 C ATOM 551 CZ PHE A 36 -3.960 0.916 -3.318 1.00 0.00 C ATOM 0 H PHE A 36 -4.553 -5.323 -5.957 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.137 -3.865 -3.354 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.898 -3.578 -4.598 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.803 -3.048 -6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.428 -1.032 -5.686 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.320 -2.034 -2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.506 1.269 -4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.402 0.270 -1.981 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.995 1.919 -2.920 1.00 0.00 H new ATOM 561 N THR A 37 -7.177 -2.743 -4.254 1.00 0.00 N ATOM 562 CA THR A 37 -8.467 -2.226 -4.817 1.00 0.00 C ATOM 563 C THR A 37 -8.964 -0.982 -4.066 1.00 0.00 C ATOM 564 O THR A 37 -8.617 -0.745 -2.922 1.00 0.00 O ATOM 565 CB THR A 37 -9.476 -3.374 -4.654 1.00 0.00 C ATOM 566 OG1 THR A 37 -9.182 -4.123 -3.480 1.00 0.00 O ATOM 567 CG2 THR A 37 -9.411 -4.294 -5.874 1.00 0.00 C ATOM 0 H THR A 37 -7.033 -2.573 -3.259 1.00 0.00 H new ATOM 0 HA THR A 37 -8.339 -1.924 -5.857 1.00 0.00 H new ATOM 0 HB THR A 37 -10.477 -2.953 -4.567 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.832 -4.851 -3.385 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.127 -5.107 -5.755 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.653 -3.725 -6.772 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.406 -4.707 -5.966 1.00 0.00 H new ATOM 575 N VAL A 38 -9.795 -0.202 -4.716 1.00 0.00 N ATOM 576 CA VAL A 38 -10.365 1.028 -4.083 1.00 0.00 C ATOM 577 C VAL A 38 -11.883 1.069 -4.328 1.00 0.00 C ATOM 578 O VAL A 38 -12.359 0.645 -5.364 1.00 0.00 O ATOM 579 CB VAL A 38 -9.669 2.204 -4.780 1.00 0.00 C ATOM 580 CG1 VAL A 38 -10.292 3.523 -4.314 1.00 0.00 C ATOM 581 CG2 VAL A 38 -8.177 2.199 -4.430 1.00 0.00 C ATOM 0 H VAL A 38 -10.106 -0.369 -5.673 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.207 1.058 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.792 2.104 -5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.795 4.356 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.353 3.532 -4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.172 3.621 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.684 3.035 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.056 2.295 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.728 1.263 -4.764 1.00 0.00 H new ATOM 591 N LYS A 39 -12.644 1.567 -3.384 1.00 0.00 N ATOM 592 CA LYS A 39 -14.128 1.621 -3.565 1.00 0.00 C ATOM 593 C LYS A 39 -14.726 2.840 -2.841 1.00 0.00 C ATOM 594 O LYS A 39 -14.366 3.128 -1.715 1.00 0.00 O ATOM 595 CB LYS A 39 -14.646 0.322 -2.935 1.00 0.00 C ATOM 596 CG LYS A 39 -15.710 -0.309 -3.839 1.00 0.00 C ATOM 597 CD LYS A 39 -15.038 -1.011 -5.025 1.00 0.00 C ATOM 598 CE LYS A 39 -14.249 -2.227 -4.526 1.00 0.00 C ATOM 599 NZ LYS A 39 -13.810 -2.942 -5.761 1.00 0.00 N ATOM 0 H LYS A 39 -12.302 1.938 -2.497 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.406 1.716 -4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.821 -0.375 -2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.068 0.528 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.304 -1.025 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.395 0.459 -4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.791 -1.325 -5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.371 -0.319 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.394 -1.921 -3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.868 -2.868 -3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.263 -3.787 -5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.645 -3.228 -6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.216 -2.310 -6.335 1.00 0.00 H new ATOM 613 N PRO A 40 -15.635 3.511 -3.515 1.00 0.00 N ATOM 614 CA PRO A 40 -16.303 4.700 -2.924 1.00 0.00 C ATOM 615 C PRO A 40 -17.392 4.265 -1.934 1.00 0.00 C ATOM 616 O PRO A 40 -17.940 3.183 -2.041 1.00 0.00 O ATOM 617 CB PRO A 40 -16.924 5.398 -4.128 1.00 0.00 C ATOM 618 CG PRO A 40 -17.118 4.324 -5.155 1.00 0.00 C ATOM 619 CD PRO A 40 -16.114 3.233 -4.875 1.00 0.00 C ATOM 0 HA PRO A 40 -15.619 5.341 -2.368 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -17.873 5.866 -3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -16.273 6.187 -4.503 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -18.133 3.930 -5.109 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.977 4.725 -6.159 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.572 2.246 -4.940 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.296 3.253 -5.595 1.00 0.00 H new ATOM 766 N TYR A 48 -17.484 9.230 1.175 1.00 0.00 N ATOM 767 CA TYR A 48 -16.083 8.950 1.606 1.00 0.00 C ATOM 768 C TYR A 48 -15.480 7.826 0.762 1.00 0.00 C ATOM 769 O TYR A 48 -16.115 6.820 0.502 1.00 0.00 O ATOM 770 CB TYR A 48 -16.193 8.528 3.074 1.00 0.00 C ATOM 771 CG TYR A 48 -16.292 9.759 3.945 1.00 0.00 C ATOM 772 CD1 TYR A 48 -15.149 10.524 4.208 1.00 0.00 C ATOM 773 CD2 TYR A 48 -17.526 10.136 4.488 1.00 0.00 C ATOM 774 CE1 TYR A 48 -15.242 11.665 5.014 1.00 0.00 C ATOM 775 CE2 TYR A 48 -17.618 11.275 5.294 1.00 0.00 C ATOM 776 CZ TYR A 48 -16.475 12.041 5.558 1.00 0.00 C ATOM 777 OH TYR A 48 -16.565 13.166 6.351 1.00 0.00 O ATOM 0 HA TYR A 48 -15.434 9.817 1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -17.070 7.896 3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.323 7.936 3.360 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.197 10.234 3.789 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -18.408 9.547 4.284 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -14.361 12.256 5.216 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -18.570 11.564 5.713 1.00 0.00 H new ATOM 0 HH TYR A 48 -17.492 13.285 6.646 1.00 0.00 H new ATOM 787 N TYR A 49 -14.255 7.992 0.335 1.00 0.00 N ATOM 788 CA TYR A 49 -13.595 6.940 -0.493 1.00 0.00 C ATOM 789 C TYR A 49 -12.727 6.040 0.390 1.00 0.00 C ATOM 790 O TYR A 49 -11.986 6.510 1.235 1.00 0.00 O ATOM 791 CB TYR A 49 -12.727 7.708 -1.494 1.00 0.00 C ATOM 792 CG TYR A 49 -13.222 7.457 -2.898 1.00 0.00 C ATOM 793 CD1 TYR A 49 -14.245 8.250 -3.432 1.00 0.00 C ATOM 794 CD2 TYR A 49 -12.657 6.433 -3.666 1.00 0.00 C ATOM 795 CE1 TYR A 49 -14.702 8.018 -4.734 1.00 0.00 C ATOM 796 CE2 TYR A 49 -13.114 6.201 -4.967 1.00 0.00 C ATOM 797 CZ TYR A 49 -14.137 6.993 -5.502 1.00 0.00 C ATOM 798 OH TYR A 49 -14.587 6.762 -6.786 1.00 0.00 O ATOM 0 H TYR A 49 -13.682 8.814 0.525 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.317 6.294 -0.992 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.758 8.775 -1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.687 7.394 -1.404 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -14.681 9.040 -2.839 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.868 5.822 -3.254 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -15.491 8.630 -5.146 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -12.678 5.410 -5.559 1.00 0.00 H new ATOM 0 HH TYR A 49 -14.087 6.016 -7.178 1.00 0.00 H new ATOM 808 N LYS A 50 -12.806 4.749 0.197 1.00 0.00 N ATOM 809 CA LYS A 50 -11.980 3.811 1.016 1.00 0.00 C ATOM 810 C LYS A 50 -11.237 2.840 0.101 1.00 0.00 C ATOM 811 O LYS A 50 -11.641 2.596 -1.018 1.00 0.00 O ATOM 812 CB LYS A 50 -12.973 3.058 1.904 1.00 0.00 C ATOM 813 CG LYS A 50 -12.419 2.956 3.330 1.00 0.00 C ATOM 814 CD LYS A 50 -11.710 1.610 3.518 1.00 0.00 C ATOM 815 CE LYS A 50 -12.726 0.543 3.944 1.00 0.00 C ATOM 816 NZ LYS A 50 -12.267 0.070 5.283 1.00 0.00 N ATOM 0 H LYS A 50 -13.408 4.302 -0.494 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.231 4.335 1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.932 3.575 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.152 2.061 1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.723 3.773 3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.229 3.054 4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.224 1.312 2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.928 1.702 4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.732 0.958 3.998 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.758 -0.278 3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.917 -0.662 5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.310 -0.328 5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.254 0.870 5.948 1.00 0.00 H new ATOM 830 N GLY A 51 -10.155 2.283 0.567 1.00 0.00 N ATOM 831 CA GLY A 51 -9.386 1.326 -0.277 1.00 0.00 C ATOM 832 C GLY A 51 -8.724 0.270 0.606 1.00 0.00 C ATOM 833 O GLY A 51 -8.384 0.526 1.744 1.00 0.00 O ATOM 0 H GLY A 51 -9.769 2.449 1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.050 0.847 -0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.628 1.860 -0.850 1.00 0.00 H new ATOM 837 N ARG A 52 -8.531 -0.915 0.085 1.00 0.00 N ATOM 838 CA ARG A 52 -7.880 -1.994 0.885 1.00 0.00 C ATOM 839 C ARG A 52 -7.103 -2.935 -0.045 1.00 0.00 C ATOM 840 O ARG A 52 -7.586 -3.319 -1.094 1.00 0.00 O ATOM 841 CB ARG A 52 -9.026 -2.745 1.566 1.00 0.00 C ATOM 842 CG ARG A 52 -8.464 -3.595 2.712 1.00 0.00 C ATOM 843 CD ARG A 52 -7.956 -4.934 2.165 1.00 0.00 C ATOM 844 NE ARG A 52 -9.094 -5.883 2.323 1.00 0.00 N ATOM 845 CZ ARG A 52 -9.527 -6.195 3.517 1.00 0.00 C ATOM 846 NH1 ARG A 52 -8.695 -6.664 4.411 1.00 0.00 N ATOM 847 NH2 ARG A 52 -10.788 -6.028 3.815 1.00 0.00 N ATOM 0 H ARG A 52 -8.797 -1.182 -0.863 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.172 -1.596 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.762 -2.038 1.949 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.539 -3.380 0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.652 -3.063 3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.236 -3.767 3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.661 -4.845 1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.080 -5.276 2.715 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.536 -6.290 1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.710 -6.786 4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.031 -6.908 5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.432 -5.655 3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.129 -6.270 4.745 1.00 0.00 H new ATOM 861 N MET A 53 -5.907 -3.310 0.334 1.00 0.00 N ATOM 862 CA MET A 53 -5.103 -4.228 -0.528 1.00 0.00 C ATOM 863 C MET A 53 -4.454 -5.337 0.312 1.00 0.00 C ATOM 864 O MET A 53 -4.175 -5.164 1.485 1.00 0.00 O ATOM 865 CB MET A 53 -4.037 -3.340 -1.184 1.00 0.00 C ATOM 866 CG MET A 53 -3.010 -2.867 -0.146 1.00 0.00 C ATOM 867 SD MET A 53 -1.341 -3.069 -0.817 1.00 0.00 S ATOM 868 CE MET A 53 -1.302 -4.878 -0.801 1.00 0.00 C ATOM 0 H MET A 53 -5.454 -3.021 1.201 1.00 0.00 H new ATOM 0 HA MET A 53 -5.721 -4.730 -1.272 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.532 -3.894 -1.976 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.512 -2.478 -1.651 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.188 -1.822 0.108 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.116 -3.441 0.774 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.317 -5.223 -1.116 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.508 -5.237 0.207 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.058 -5.264 -1.485 1.00 0.00 H new ATOM 878 N TRP A 54 -4.206 -6.471 -0.291 1.00 0.00 N ATOM 879 CA TRP A 54 -3.563 -7.603 0.447 1.00 0.00 C ATOM 880 C TRP A 54 -2.717 -8.444 -0.515 1.00 0.00 C ATOM 881 O TRP A 54 -2.592 -8.122 -1.680 1.00 0.00 O ATOM 882 CB TRP A 54 -4.715 -8.427 1.047 1.00 0.00 C ATOM 883 CG TRP A 54 -5.572 -9.010 -0.035 1.00 0.00 C ATOM 884 CD1 TRP A 54 -5.367 -10.205 -0.634 1.00 0.00 C ATOM 885 CD2 TRP A 54 -6.770 -8.447 -0.646 1.00 0.00 C ATOM 886 NE1 TRP A 54 -6.362 -10.412 -1.573 1.00 0.00 N ATOM 887 CE2 TRP A 54 -7.251 -9.356 -1.616 1.00 0.00 C ATOM 888 CE3 TRP A 54 -7.477 -7.248 -0.452 1.00 0.00 C ATOM 889 CZ2 TRP A 54 -8.395 -9.085 -2.368 1.00 0.00 C ATOM 890 CZ3 TRP A 54 -8.627 -6.970 -1.207 1.00 0.00 C ATOM 891 CH2 TRP A 54 -9.085 -7.888 -2.163 1.00 0.00 C ATOM 0 H TRP A 54 -4.422 -6.664 -1.269 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.891 -7.251 1.230 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.311 -9.227 1.668 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.321 -7.795 1.696 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.558 -10.887 -0.415 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.430 -11.243 -2.161 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.133 -6.536 0.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -8.744 -9.795 -3.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.162 -6.045 -1.051 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -9.971 -7.670 -2.741 1.00 0.00 H new ATOM 902 N CYS A 55 -2.128 -9.513 -0.042 1.00 0.00 N ATOM 903 CA CYS A 55 -1.290 -10.358 -0.942 1.00 0.00 C ATOM 904 C CYS A 55 -1.620 -11.844 -0.753 1.00 0.00 C ATOM 905 O CYS A 55 -1.064 -12.496 0.109 1.00 0.00 O ATOM 906 CB CYS A 55 0.156 -10.066 -0.535 1.00 0.00 C ATOM 907 SG CYS A 55 0.676 -8.480 -1.236 1.00 0.00 S ATOM 0 H CYS A 55 -2.191 -9.835 0.924 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.468 -10.134 -1.994 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.240 -10.040 0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.811 -10.863 -0.887 1.00 0.00 H new ATOM 912 N PRO A 56 -2.516 -12.334 -1.581 1.00 0.00 N ATOM 913 CA PRO A 56 -2.917 -13.760 -1.513 1.00 0.00 C ATOM 914 C PRO A 56 -1.824 -14.646 -2.130 1.00 0.00 C ATOM 915 O PRO A 56 -1.832 -14.927 -3.315 1.00 0.00 O ATOM 916 CB PRO A 56 -4.202 -13.811 -2.337 1.00 0.00 C ATOM 917 CG PRO A 56 -4.111 -12.656 -3.285 1.00 0.00 C ATOM 918 CD PRO A 56 -3.232 -11.611 -2.642 1.00 0.00 C ATOM 0 HA PRO A 56 -3.062 -14.123 -0.495 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.287 -14.755 -2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.082 -13.727 -1.699 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.692 -12.975 -4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.101 -12.250 -3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.540 -11.177 -3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.823 -10.791 -2.234 1.00 0.00 H new ATOM 926 N GLY A 57 -0.881 -15.079 -1.330 1.00 0.00 N ATOM 927 CA GLY A 57 0.221 -15.938 -1.853 1.00 0.00 C ATOM 928 C GLY A 57 1.538 -15.566 -1.165 1.00 0.00 C ATOM 929 O GLY A 57 2.281 -16.424 -0.724 1.00 0.00 O ATOM 0 H GLY A 57 -0.829 -14.872 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.009 -16.989 -1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.314 -15.810 -2.931 1.00 0.00 H new ATOM 933 N TRP A 58 1.832 -14.291 -1.071 1.00 0.00 N ATOM 934 CA TRP A 58 3.101 -13.853 -0.412 1.00 0.00 C ATOM 935 C TRP A 58 3.012 -14.072 1.103 1.00 0.00 C ATOM 936 O TRP A 58 3.821 -14.770 1.684 1.00 0.00 O ATOM 937 CB TRP A 58 3.230 -12.358 -0.738 1.00 0.00 C ATOM 938 CG TRP A 58 4.570 -11.839 -0.303 1.00 0.00 C ATOM 939 CD1 TRP A 58 5.629 -12.601 0.066 1.00 0.00 C ATOM 940 CD2 TRP A 58 5.008 -10.453 -0.187 1.00 0.00 C ATOM 941 NE1 TRP A 58 6.683 -11.770 0.400 1.00 0.00 N ATOM 942 CE2 TRP A 58 6.349 -10.438 0.262 1.00 0.00 C ATOM 943 CE3 TRP A 58 4.376 -9.218 -0.425 1.00 0.00 C ATOM 944 CZ2 TRP A 58 7.039 -9.244 0.469 1.00 0.00 C ATOM 945 CZ3 TRP A 58 5.068 -8.013 -0.218 1.00 0.00 C ATOM 946 CH2 TRP A 58 6.397 -8.027 0.228 1.00 0.00 C ATOM 0 H TRP A 58 1.246 -13.534 -1.423 1.00 0.00 H new ATOM 0 HA TRP A 58 3.964 -14.418 -0.764 1.00 0.00 H new ATOM 0 HB2 TRP A 58 3.103 -12.201 -1.809 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.438 -11.801 -0.238 1.00 0.00 H new ATOM 0 HD1 TRP A 58 5.647 -13.680 0.094 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.596 -12.101 0.711 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.352 -9.197 -0.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.063 -9.260 0.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 4.574 -7.071 -0.403 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.924 -7.098 0.385 1.00 0.00 H new ATOM 957 N THR A 59 2.035 -13.479 1.741 1.00 0.00 N ATOM 958 CA THR A 59 1.883 -13.645 3.217 1.00 0.00 C ATOM 959 C THR A 59 0.412 -13.442 3.618 1.00 0.00 C ATOM 960 O THR A 59 -0.482 -13.540 2.798 1.00 0.00 O ATOM 961 CB THR A 59 2.796 -12.570 3.835 1.00 0.00 C ATOM 962 OG1 THR A 59 2.714 -12.634 5.255 1.00 0.00 O ATOM 963 CG2 THR A 59 2.370 -11.176 3.359 1.00 0.00 C ATOM 0 H THR A 59 1.333 -12.884 1.300 1.00 0.00 H new ATOM 0 HA THR A 59 2.160 -14.641 3.563 1.00 0.00 H new ATOM 0 HB THR A 59 3.823 -12.754 3.519 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.526 -13.051 5.611 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.023 -10.425 3.803 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.443 -11.124 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.340 -10.987 3.663 1.00 0.00 H new ATOM 971 N ALA A 60 0.157 -13.163 4.869 1.00 0.00 N ATOM 972 CA ALA A 60 -1.250 -12.956 5.327 1.00 0.00 C ATOM 973 C ALA A 60 -1.408 -11.572 5.975 1.00 0.00 C ATOM 974 O ALA A 60 -2.025 -11.429 7.016 1.00 0.00 O ATOM 975 CB ALA A 60 -1.497 -14.072 6.349 1.00 0.00 C ATOM 0 H ALA A 60 0.865 -13.069 5.597 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.964 -12.992 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.513 -13.992 6.737 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.367 -15.041 5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.787 -13.977 7.170 1.00 0.00 H new ATOM 981 N ILE A 61 -0.865 -10.549 5.360 1.00 0.00 N ATOM 982 CA ILE A 61 -0.990 -9.172 5.926 1.00 0.00 C ATOM 983 C ILE A 61 -1.590 -8.232 4.872 1.00 0.00 C ATOM 984 O ILE A 61 -1.474 -8.466 3.681 1.00 0.00 O ATOM 985 CB ILE A 61 0.447 -8.760 6.312 1.00 0.00 C ATOM 986 CG1 ILE A 61 0.428 -8.100 7.696 1.00 0.00 C ATOM 987 CG2 ILE A 61 1.027 -7.774 5.287 1.00 0.00 C ATOM 988 CD1 ILE A 61 1.864 -7.845 8.165 1.00 0.00 C ATOM 0 H ILE A 61 -0.339 -10.610 4.488 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.651 -9.127 6.791 1.00 0.00 H new ATOM 0 HB ILE A 61 1.073 -9.652 6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.124 -7.161 7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.089 -8.742 8.409 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.040 -7.498 5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.049 -8.243 4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.404 -6.880 5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.848 -7.376 9.149 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.401 -8.792 8.223 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.366 -7.186 7.457 1.00 0.00 H new ATOM 1000 N ARG A 62 -2.235 -7.174 5.295 1.00 0.00 N ATOM 1001 CA ARG A 62 -2.840 -6.226 4.313 1.00 0.00 C ATOM 1002 C ARG A 62 -2.954 -4.821 4.900 1.00 0.00 C ATOM 1003 O ARG A 62 -2.765 -4.609 6.083 1.00 0.00 O ATOM 1004 CB ARG A 62 -4.232 -6.778 3.977 1.00 0.00 C ATOM 1005 CG ARG A 62 -4.927 -7.321 5.233 1.00 0.00 C ATOM 1006 CD ARG A 62 -5.261 -8.800 5.026 1.00 0.00 C ATOM 1007 NE ARG A 62 -5.741 -9.277 6.352 1.00 0.00 N ATOM 1008 CZ ARG A 62 -4.970 -10.020 7.094 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -4.920 -11.310 6.894 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -4.243 -9.469 8.030 1.00 0.00 N ATOM 0 H ARG A 62 -2.368 -6.927 6.276 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.216 -6.145 3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.841 -5.991 3.531 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.143 -7.571 3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.280 -7.201 6.102 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.837 -6.755 5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.026 -8.928 4.260 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.385 -9.360 4.699 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.673 -9.022 6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.484 -11.734 6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.317 -11.893 7.474 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.281 -8.460 8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.638 -10.048 8.613 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.264 -3.865 4.066 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.399 -2.460 4.542 1.00 0.00 C ATOM 1026 C GLY A 63 -4.655 -1.827 3.938 1.00 0.00 C ATOM 1027 O GLY A 63 -5.104 -2.207 2.873 1.00 0.00 O ATOM 0 H GLY A 63 -3.430 -3.999 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.457 -2.439 5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.518 -1.884 4.259 1.00 0.00 H new ATOM 1031 N GLU A 64 -5.220 -0.863 4.615 1.00 0.00 N ATOM 1032 CA GLU A 64 -6.444 -0.189 4.094 1.00 0.00 C ATOM 1033 C GLU A 64 -6.436 1.295 4.478 1.00 0.00 C ATOM 1034 O GLU A 64 -5.802 1.696 5.438 1.00 0.00 O ATOM 1035 CB GLU A 64 -7.632 -0.917 4.740 1.00 0.00 C ATOM 1036 CG GLU A 64 -7.393 -1.126 6.239 1.00 0.00 C ATOM 1037 CD GLU A 64 -7.003 -2.583 6.507 1.00 0.00 C ATOM 1038 OE1 GLU A 64 -7.881 -3.427 6.467 1.00 0.00 O ATOM 1039 OE2 GLU A 64 -5.832 -2.826 6.753 1.00 0.00 O ATOM 0 H GLU A 64 -4.884 -0.512 5.512 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.500 -0.234 3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.544 -0.339 4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.782 -1.881 4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.604 -0.459 6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.294 -0.873 6.798 1.00 0.00 H new ATOM 1046 N ALA A 65 -7.127 2.112 3.725 1.00 0.00 N ATOM 1047 CA ALA A 65 -7.157 3.576 4.027 1.00 0.00 C ATOM 1048 C ALA A 65 -8.541 4.165 3.738 1.00 0.00 C ATOM 1049 O ALA A 65 -9.341 3.578 3.031 1.00 0.00 O ATOM 1050 CB ALA A 65 -6.114 4.189 3.090 1.00 0.00 C ATOM 0 H ALA A 65 -7.673 1.828 2.912 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.946 3.779 5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.072 5.267 3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.137 3.753 3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.389 3.984 2.055 1.00 0.00 H new ATOM 1056 N SER A 66 -8.823 5.329 4.275 1.00 0.00 N ATOM 1057 CA SER A 66 -10.151 5.975 4.031 1.00 0.00 C ATOM 1058 C SER A 66 -10.007 7.502 4.004 1.00 0.00 C ATOM 1059 O SER A 66 -9.331 8.088 4.830 1.00 0.00 O ATOM 1060 CB SER A 66 -11.049 5.561 5.202 1.00 0.00 C ATOM 1061 OG SER A 66 -10.739 4.233 5.613 1.00 0.00 O ATOM 0 H SER A 66 -8.189 5.860 4.873 1.00 0.00 H new ATOM 0 HA SER A 66 -10.568 5.665 3.072 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.912 6.249 6.036 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.096 5.623 4.906 1.00 0.00 H new ATOM 0 HG SER A 66 -11.317 3.979 6.362 1.00 0.00 H new ATOM 1067 N THR A 67 -10.656 8.143 3.068 1.00 0.00 N ATOM 1068 CA THR A 67 -10.596 9.638 2.965 1.00 0.00 C ATOM 1069 C THR A 67 -11.535 10.126 1.852 1.00 0.00 C ATOM 1070 O THR A 67 -11.985 9.351 1.028 1.00 0.00 O ATOM 1071 CB THR A 67 -9.133 9.985 2.638 1.00 0.00 C ATOM 1072 OG1 THR A 67 -8.993 11.398 2.568 1.00 0.00 O ATOM 1073 CG2 THR A 67 -8.722 9.364 1.299 1.00 0.00 C ATOM 0 H THR A 67 -11.234 7.691 2.359 1.00 0.00 H new ATOM 0 HA THR A 67 -10.914 10.121 3.889 1.00 0.00 H new ATOM 0 HB THR A 67 -8.489 9.585 3.421 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.751 11.658 1.655 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.685 9.619 1.083 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.825 8.280 1.354 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.363 9.750 0.507 1.00 0.00 H new ATOM 1081 N ARG A 68 -11.832 11.400 1.817 1.00 0.00 N ATOM 1082 CA ARG A 68 -12.743 11.929 0.749 1.00 0.00 C ATOM 1083 C ARG A 68 -12.060 11.860 -0.628 1.00 0.00 C ATOM 1084 O ARG A 68 -12.716 11.741 -1.646 1.00 0.00 O ATOM 1085 CB ARG A 68 -13.033 13.383 1.140 1.00 0.00 C ATOM 1086 CG ARG A 68 -14.526 13.542 1.448 1.00 0.00 C ATOM 1087 CD ARG A 68 -14.784 14.920 2.073 1.00 0.00 C ATOM 1088 NE ARG A 68 -14.388 14.790 3.508 1.00 0.00 N ATOM 1089 CZ ARG A 68 -14.640 15.760 4.346 1.00 0.00 C ATOM 1090 NH1 ARG A 68 -13.990 16.891 4.249 1.00 0.00 N ATOM 1091 NH2 ARG A 68 -15.538 15.598 5.282 1.00 0.00 N ATOM 0 H ARG A 68 -11.486 12.097 2.477 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.659 11.344 0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -12.440 13.662 2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -12.745 14.053 0.330 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -15.109 13.432 0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -14.852 12.756 2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.200 15.693 1.573 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -15.833 15.203 1.980 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.921 13.944 3.833 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.288 17.015 3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.186 17.649 4.903 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.042 14.714 5.358 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.735 16.355 5.936 1.00 0.00 H new ATOM 1105 N SER A 69 -10.750 11.932 -0.668 1.00 0.00 N ATOM 1106 CA SER A 69 -10.030 11.867 -1.981 1.00 0.00 C ATOM 1107 C SER A 69 -10.195 10.480 -2.615 1.00 0.00 C ATOM 1108 O SER A 69 -10.324 9.481 -1.931 1.00 0.00 O ATOM 1109 CB SER A 69 -8.551 12.141 -1.674 1.00 0.00 C ATOM 1110 OG SER A 69 -8.269 11.840 -0.311 1.00 0.00 O ATOM 0 H SER A 69 -10.149 12.033 0.150 1.00 0.00 H new ATOM 0 HA SER A 69 -10.430 12.594 -2.687 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.919 11.538 -2.326 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.317 13.185 -1.880 1.00 0.00 H new ATOM 0 HG SER A 69 -7.323 12.017 -0.126 1.00 0.00 H new ATOM 1116 N GLN A 70 -10.193 10.422 -3.924 1.00 0.00 N ATOM 1117 CA GLN A 70 -10.352 9.112 -4.632 1.00 0.00 C ATOM 1118 C GLN A 70 -8.996 8.398 -4.731 1.00 0.00 C ATOM 1119 O GLN A 70 -8.795 7.351 -4.146 1.00 0.00 O ATOM 1120 CB GLN A 70 -10.889 9.467 -6.025 1.00 0.00 C ATOM 1121 CG GLN A 70 -12.315 10.023 -5.909 1.00 0.00 C ATOM 1122 CD GLN A 70 -12.278 11.556 -5.911 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -11.846 12.165 -6.870 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -12.713 12.210 -4.867 1.00 0.00 N ATOM 0 H GLN A 70 -10.087 11.230 -4.537 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.026 8.436 -4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.239 10.204 -6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.885 8.583 -6.662 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.924 9.664 -6.739 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.782 9.663 -4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.076 11.701 -4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.690 13.230 -4.858 1.00 0.00 H new ATOM 1133 N SER A 71 -8.060 8.964 -5.454 1.00 0.00 N ATOM 1134 CA SER A 71 -6.713 8.323 -5.571 1.00 0.00 C ATOM 1135 C SER A 71 -5.935 8.492 -4.259 1.00 0.00 C ATOM 1136 O SER A 71 -5.031 7.732 -3.967 1.00 0.00 O ATOM 1137 CB SER A 71 -6.004 9.055 -6.712 1.00 0.00 C ATOM 1138 OG SER A 71 -4.933 8.250 -7.190 1.00 0.00 O ATOM 0 H SER A 71 -8.170 9.839 -5.966 1.00 0.00 H new ATOM 0 HA SER A 71 -6.787 7.253 -5.768 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.707 9.263 -7.519 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.625 10.016 -6.364 1.00 0.00 H new ATOM 0 HG SER A 71 -4.476 8.714 -7.922 1.00 0.00 H new ATOM 1144 N GLY A 72 -6.284 9.481 -3.464 1.00 0.00 N ATOM 1145 CA GLY A 72 -5.576 9.698 -2.168 1.00 0.00 C ATOM 1146 C GLY A 72 -5.704 8.444 -1.300 1.00 0.00 C ATOM 1147 O GLY A 72 -4.735 7.985 -0.725 1.00 0.00 O ATOM 0 H GLY A 72 -7.031 10.146 -3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.525 9.922 -2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.001 10.557 -1.649 1.00 0.00 H new ATOM 1151 N VAL A 73 -6.887 7.879 -1.210 1.00 0.00 N ATOM 1152 CA VAL A 73 -7.067 6.642 -0.387 1.00 0.00 C ATOM 1153 C VAL A 73 -6.190 5.509 -0.940 1.00 0.00 C ATOM 1154 O VAL A 73 -5.635 4.728 -0.193 1.00 0.00 O ATOM 1155 CB VAL A 73 -8.566 6.294 -0.474 1.00 0.00 C ATOM 1156 CG1 VAL A 73 -8.851 5.387 -1.675 1.00 0.00 C ATOM 1157 CG2 VAL A 73 -8.985 5.574 0.806 1.00 0.00 C ATOM 0 H VAL A 73 -7.731 8.221 -1.669 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.765 6.789 0.650 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.131 7.218 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.916 5.157 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.557 5.896 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.283 4.462 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -10.045 5.324 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.402 4.660 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.808 6.223 1.663 1.00 0.00 H new ATOM 1167 N ALA A 74 -6.054 5.427 -2.243 1.00 0.00 N ATOM 1168 CA ALA A 74 -5.204 4.357 -2.849 1.00 0.00 C ATOM 1169 C ALA A 74 -3.750 4.523 -2.397 1.00 0.00 C ATOM 1170 O ALA A 74 -3.098 3.568 -2.021 1.00 0.00 O ATOM 1171 CB ALA A 74 -5.325 4.551 -4.362 1.00 0.00 C ATOM 0 H ALA A 74 -6.497 6.057 -2.912 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.521 3.359 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.725 3.799 -4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.368 4.448 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.967 5.545 -4.631 1.00 0.00 H new ATOM 1177 N GLY A 75 -3.241 5.730 -2.425 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.832 5.963 -1.993 1.00 0.00 C ATOM 1179 C GLY A 75 -1.657 5.549 -0.528 1.00 0.00 C ATOM 1180 O GLY A 75 -0.633 5.013 -0.149 1.00 0.00 O ATOM 0 H GLY A 75 -3.743 6.564 -2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.151 5.393 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.575 7.015 -2.115 1.00 0.00 H new ATOM 1184 N LYS A 76 -2.647 5.789 0.296 1.00 0.00 N ATOM 1185 CA LYS A 76 -2.535 5.399 1.731 1.00 0.00 C ATOM 1186 C LYS A 76 -2.699 3.881 1.883 1.00 0.00 C ATOM 1187 O LYS A 76 -2.027 3.264 2.683 1.00 0.00 O ATOM 1188 CB LYS A 76 -3.661 6.148 2.450 1.00 0.00 C ATOM 1189 CG LYS A 76 -3.110 7.440 3.063 1.00 0.00 C ATOM 1190 CD LYS A 76 -3.230 8.584 2.052 1.00 0.00 C ATOM 1191 CE LYS A 76 -1.951 8.666 1.207 1.00 0.00 C ATOM 1192 NZ LYS A 76 -1.063 9.625 1.929 1.00 0.00 N ATOM 0 H LYS A 76 -3.525 6.237 0.035 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.561 5.653 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.463 6.379 1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.091 5.518 3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.660 7.686 3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.067 7.302 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.094 8.423 1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.394 9.527 2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.479 7.688 1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.168 9.015 0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.169 9.730 1.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.534 10.550 1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.866 9.264 2.884 1.00 0.00 H new ATOM 1206 N THR A 77 -3.574 3.271 1.115 1.00 0.00 N ATOM 1207 CA THR A 77 -3.760 1.789 1.217 1.00 0.00 C ATOM 1208 C THR A 77 -2.435 1.078 0.900 1.00 0.00 C ATOM 1209 O THR A 77 -2.089 0.088 1.518 1.00 0.00 O ATOM 1210 CB THR A 77 -4.837 1.437 0.177 1.00 0.00 C ATOM 1211 OG1 THR A 77 -6.092 1.959 0.596 1.00 0.00 O ATOM 1212 CG2 THR A 77 -4.947 -0.083 0.027 1.00 0.00 C ATOM 0 H THR A 77 -4.165 3.735 0.425 1.00 0.00 H new ATOM 0 HA THR A 77 -4.061 1.475 2.217 1.00 0.00 H new ATOM 0 HB THR A 77 -4.558 1.873 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.192 2.876 0.265 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.712 -0.321 -0.712 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.989 -0.487 -0.300 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.218 -0.525 0.986 1.00 0.00 H new ATOM 1220 N ALA A 78 -1.689 1.585 -0.053 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.384 0.951 -0.400 1.00 0.00 C ATOM 1222 C ALA A 78 0.693 1.371 0.608 1.00 0.00 C ATOM 1223 O ALA A 78 1.639 0.644 0.854 1.00 0.00 O ATOM 1224 CB ALA A 78 -0.043 1.464 -1.803 1.00 0.00 C ATOM 0 H ALA A 78 -1.930 2.410 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.437 -0.137 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.907 1.038 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.828 1.168 -2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.034 2.551 -1.784 1.00 0.00 H new ATOM 1230 N LYS A 79 0.557 2.534 1.198 1.00 0.00 N ATOM 1231 CA LYS A 79 1.565 2.992 2.192 1.00 0.00 C ATOM 1232 C LYS A 79 1.290 2.343 3.544 1.00 0.00 C ATOM 1233 O LYS A 79 2.201 1.977 4.261 1.00 0.00 O ATOM 1234 CB LYS A 79 1.390 4.516 2.278 1.00 0.00 C ATOM 1235 CG LYS A 79 2.713 5.271 2.021 1.00 0.00 C ATOM 1236 CD LYS A 79 3.914 4.316 1.979 1.00 0.00 C ATOM 1237 CE LYS A 79 4.020 3.712 0.576 1.00 0.00 C ATOM 1238 NZ LYS A 79 4.271 2.250 0.772 1.00 0.00 N ATOM 0 H LYS A 79 -0.211 3.183 1.031 1.00 0.00 H new ATOM 0 HA LYS A 79 2.581 2.722 1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.644 4.836 1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.008 4.781 3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.645 5.812 1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.866 6.014 2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.830 4.851 2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.794 3.527 2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.103 3.878 0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.830 4.175 0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.125 1.971 0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.407 2.054 1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.456 1.708 0.421 1.00 0.00 H new ATOM 1252 N ASP A 80 0.039 2.191 3.889 1.00 0.00 N ATOM 1253 CA ASP A 80 -0.314 1.561 5.190 1.00 0.00 C ATOM 1254 C ASP A 80 -0.014 0.061 5.135 1.00 0.00 C ATOM 1255 O ASP A 80 0.342 -0.541 6.127 1.00 0.00 O ATOM 1256 CB ASP A 80 -1.816 1.816 5.372 1.00 0.00 C ATOM 1257 CG ASP A 80 -2.073 3.282 5.766 1.00 0.00 C ATOM 1258 OD1 ASP A 80 -1.318 4.147 5.341 1.00 0.00 O ATOM 1259 OD2 ASP A 80 -3.028 3.513 6.483 1.00 0.00 O ATOM 0 H ASP A 80 -0.757 2.479 3.320 1.00 0.00 H new ATOM 0 HA ASP A 80 0.259 1.971 6.022 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.344 1.584 4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.213 1.152 6.140 1.00 0.00 H new ATOM 1264 N PHE A 81 -0.138 -0.545 3.975 1.00 0.00 N ATOM 1265 CA PHE A 81 0.162 -2.003 3.858 1.00 0.00 C ATOM 1266 C PHE A 81 1.671 -2.233 4.000 1.00 0.00 C ATOM 1267 O PHE A 81 2.101 -3.153 4.670 1.00 0.00 O ATOM 1268 CB PHE A 81 -0.322 -2.413 2.461 1.00 0.00 C ATOM 1269 CG PHE A 81 0.265 -3.757 2.093 1.00 0.00 C ATOM 1270 CD1 PHE A 81 -0.169 -4.914 2.751 1.00 0.00 C ATOM 1271 CD2 PHE A 81 1.247 -3.845 1.099 1.00 0.00 C ATOM 1272 CE1 PHE A 81 0.378 -6.157 2.414 1.00 0.00 C ATOM 1273 CE2 PHE A 81 1.795 -5.089 0.764 1.00 0.00 C ATOM 1274 CZ PHE A 81 1.360 -6.245 1.421 1.00 0.00 C ATOM 0 H PHE A 81 -0.433 -0.092 3.110 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.329 -2.590 4.634 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.411 -2.463 2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.026 -1.663 1.728 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.926 -4.847 3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.582 -2.953 0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.042 -7.049 2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.554 -5.156 -0.002 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.782 -7.205 1.162 1.00 0.00 H new ATOM 1284 N VAL A 82 2.476 -1.400 3.386 1.00 0.00 N ATOM 1285 CA VAL A 82 3.952 -1.575 3.505 1.00 0.00 C ATOM 1286 C VAL A 82 4.399 -1.198 4.924 1.00 0.00 C ATOM 1287 O VAL A 82 5.338 -1.761 5.454 1.00 0.00 O ATOM 1288 CB VAL A 82 4.571 -0.646 2.448 1.00 0.00 C ATOM 1289 CG1 VAL A 82 6.089 -0.581 2.639 1.00 0.00 C ATOM 1290 CG2 VAL A 82 4.263 -1.192 1.050 1.00 0.00 C ATOM 0 H VAL A 82 2.175 -0.612 2.812 1.00 0.00 H new ATOM 0 HA VAL A 82 4.267 -2.605 3.338 1.00 0.00 H new ATOM 0 HB VAL A 82 4.149 0.353 2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.522 0.079 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.314 -0.196 3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.512 -1.580 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.701 -0.535 0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.685 -2.192 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.183 -1.238 0.907 1.00 0.00 H new ATOM 1300 N ARG A 83 3.712 -0.273 5.552 1.00 0.00 N ATOM 1301 CA ARG A 83 4.080 0.116 6.946 1.00 0.00 C ATOM 1302 C ARG A 83 3.648 -0.984 7.922 1.00 0.00 C ATOM 1303 O ARG A 83 4.351 -1.293 8.865 1.00 0.00 O ATOM 1304 CB ARG A 83 3.313 1.412 7.224 1.00 0.00 C ATOM 1305 CG ARG A 83 4.295 2.503 7.657 1.00 0.00 C ATOM 1306 CD ARG A 83 4.568 3.447 6.480 1.00 0.00 C ATOM 1307 NE ARG A 83 3.801 4.686 6.796 1.00 0.00 N ATOM 1308 CZ ARG A 83 2.861 5.100 5.990 1.00 0.00 C ATOM 1309 NH1 ARG A 83 1.693 4.510 5.989 1.00 0.00 N ATOM 1310 NH2 ARG A 83 3.092 6.105 5.189 1.00 0.00 N ATOM 0 H ARG A 83 2.915 0.227 5.159 1.00 0.00 H new ATOM 0 HA ARG A 83 5.155 0.254 7.066 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.774 1.727 6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.569 1.247 8.004 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.885 3.063 8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.227 2.053 7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.633 3.656 6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.240 3.009 5.538 1.00 0.00 H new ATOM 0 HE ARG A 83 4.011 5.212 7.644 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.517 3.727 6.618 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.959 4.834 5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.003 6.563 5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.361 6.432 4.557 1.00 0.00 H new ATOM 1324 N LYS A 84 2.502 -1.589 7.696 1.00 0.00 N ATOM 1325 CA LYS A 84 2.036 -2.678 8.609 1.00 0.00 C ATOM 1326 C LYS A 84 2.957 -3.893 8.478 1.00 0.00 C ATOM 1327 O LYS A 84 3.253 -4.559 9.451 1.00 0.00 O ATOM 1328 CB LYS A 84 0.611 -3.025 8.163 1.00 0.00 C ATOM 1329 CG LYS A 84 -0.378 -2.660 9.277 1.00 0.00 C ATOM 1330 CD LYS A 84 -1.401 -1.646 8.753 1.00 0.00 C ATOM 1331 CE LYS A 84 -2.464 -2.375 7.922 1.00 0.00 C ATOM 1332 NZ LYS A 84 -3.649 -1.465 7.903 1.00 0.00 N ATOM 0 H LYS A 84 1.874 -1.374 6.921 1.00 0.00 H new ATOM 0 HA LYS A 84 2.053 -2.369 9.654 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.363 -2.484 7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.539 -4.088 7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.889 -3.556 9.630 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.158 -2.242 10.129 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.871 -1.124 9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.902 -0.892 8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.105 -2.573 6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.716 -3.338 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.461 -1.962 7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.882 -1.178 8.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.430 -0.621 7.336 1.00 0.00 H new ATOM 1346 N ALA A 85 3.429 -4.174 7.285 1.00 0.00 N ATOM 1347 CA ALA A 85 4.353 -5.333 7.100 1.00 0.00 C ATOM 1348 C ALA A 85 5.720 -5.002 7.713 1.00 0.00 C ATOM 1349 O ALA A 85 6.393 -5.860 8.254 1.00 0.00 O ATOM 1350 CB ALA A 85 4.470 -5.523 5.586 1.00 0.00 C ATOM 0 H ALA A 85 3.214 -3.651 6.436 1.00 0.00 H new ATOM 0 HA ALA A 85 3.989 -6.238 7.586 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.136 -6.360 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.485 -5.728 5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.873 -4.616 5.136 1.00 0.00 H new ATOM 1356 N PHE A 86 6.124 -3.752 7.642 1.00 0.00 N ATOM 1357 CA PHE A 86 7.435 -3.344 8.233 1.00 0.00 C ATOM 1358 C PHE A 86 7.372 -3.470 9.759 1.00 0.00 C ATOM 1359 O PHE A 86 8.321 -3.893 10.392 1.00 0.00 O ATOM 1360 CB PHE A 86 7.632 -1.878 7.823 1.00 0.00 C ATOM 1361 CG PHE A 86 9.021 -1.687 7.257 1.00 0.00 C ATOM 1362 CD1 PHE A 86 10.143 -1.928 8.059 1.00 0.00 C ATOM 1363 CD2 PHE A 86 9.185 -1.268 5.931 1.00 0.00 C ATOM 1364 CE1 PHE A 86 11.429 -1.751 7.536 1.00 0.00 C ATOM 1365 CE2 PHE A 86 10.473 -1.091 5.407 1.00 0.00 C ATOM 1366 CZ PHE A 86 11.594 -1.332 6.211 1.00 0.00 C ATOM 0 H PHE A 86 5.599 -2.999 7.199 1.00 0.00 H new ATOM 0 HA PHE A 86 8.258 -3.969 7.886 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.885 -1.595 7.081 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.488 -1.227 8.685 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.016 -2.251 9.082 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.320 -1.081 5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.294 -1.938 8.155 1.00 0.00 H new ATOM 0 HE2 PHE A 86 10.601 -0.769 4.384 1.00 0.00 H new ATOM 0 HZ PHE A 86 12.587 -1.194 5.808 1.00 0.00 H new ATOM 1376 N GLN A 87 6.254 -3.110 10.348 1.00 0.00 N ATOM 1377 CA GLN A 87 6.112 -3.214 11.833 1.00 0.00 C ATOM 1378 C GLN A 87 6.186 -4.685 12.263 1.00 0.00 C ATOM 1379 O GLN A 87 6.798 -5.020 13.259 1.00 0.00 O ATOM 1380 CB GLN A 87 4.730 -2.629 12.147 1.00 0.00 C ATOM 1381 CG GLN A 87 4.723 -1.123 11.862 1.00 0.00 C ATOM 1382 CD GLN A 87 5.337 -0.369 13.043 1.00 0.00 C ATOM 1383 OE1 GLN A 87 6.488 0.016 12.999 1.00 0.00 O ATOM 1384 NE2 GLN A 87 4.614 -0.143 14.104 1.00 0.00 N ATOM 0 H GLN A 87 5.434 -2.748 9.861 1.00 0.00 H new ATOM 0 HA GLN A 87 6.903 -2.684 12.363 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.970 -3.125 11.544 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.477 -2.811 13.191 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.286 -0.913 10.953 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.702 -0.781 11.691 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.647 -0.466 14.141 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.015 0.357 14.897 1.00 0.00 H new ATOM 1393 N LYS A 88 5.571 -5.566 11.509 1.00 0.00 N ATOM 1394 CA LYS A 88 5.608 -7.018 11.861 1.00 0.00 C ATOM 1395 C LYS A 88 6.996 -7.592 11.551 1.00 0.00 C ATOM 1396 O LYS A 88 7.666 -8.123 12.416 1.00 0.00 O ATOM 1397 CB LYS A 88 4.540 -7.676 10.977 1.00 0.00 C ATOM 1398 CG LYS A 88 3.148 -7.373 11.541 1.00 0.00 C ATOM 1399 CD LYS A 88 2.661 -8.558 12.382 1.00 0.00 C ATOM 1400 CE LYS A 88 2.000 -9.600 11.471 1.00 0.00 C ATOM 1401 NZ LYS A 88 1.946 -10.849 12.284 1.00 0.00 N ATOM 0 H LYS A 88 5.045 -5.340 10.665 1.00 0.00 H new ATOM 0 HA LYS A 88 5.416 -7.194 12.919 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.619 -7.303 9.956 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.700 -8.753 10.936 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.181 -6.471 12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.449 -7.181 10.727 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.499 -9.006 12.916 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.951 -8.215 13.134 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.002 -9.283 11.169 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.577 -9.748 10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.505 -11.608 11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.911 -11.131 12.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.384 -10.680 13.143 1.00 0.00 H new ATOM 1415 N GLY A 89 7.434 -7.477 10.321 1.00 0.00 N ATOM 1416 CA GLY A 89 8.776 -7.998 9.941 1.00 0.00 C ATOM 1417 C GLY A 89 8.694 -8.708 8.585 1.00 0.00 C ATOM 1418 O GLY A 89 9.089 -9.851 8.453 1.00 0.00 O ATOM 0 H GLY A 89 6.912 -7.040 9.561 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.493 -7.179 9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.136 -8.690 10.702 1.00 0.00 H new ATOM 1422 N LEU A 90 8.185 -8.042 7.576 1.00 0.00 N ATOM 1423 CA LEU A 90 8.079 -8.684 6.231 1.00 0.00 C ATOM 1424 C LEU A 90 8.809 -7.848 5.174 1.00 0.00 C ATOM 1425 O LEU A 90 9.700 -8.332 4.504 1.00 0.00 O ATOM 1426 CB LEU A 90 6.577 -8.747 5.925 1.00 0.00 C ATOM 1427 CG LEU A 90 5.998 -10.086 6.404 1.00 0.00 C ATOM 1428 CD1 LEU A 90 4.539 -10.201 5.954 1.00 0.00 C ATOM 1429 CD2 LEU A 90 6.802 -11.247 5.804 1.00 0.00 C ATOM 0 H LEU A 90 7.840 -7.084 7.627 1.00 0.00 H new ATOM 0 HA LEU A 90 8.536 -9.673 6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.062 -7.922 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.411 -8.632 4.854 1.00 0.00 H new ATOM 0 HG LEU A 90 6.055 -10.130 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.127 -11.151 6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.961 -9.382 6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.489 -10.152 4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.386 -12.194 6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.750 -11.202 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.842 -11.171 6.121 1.00 0.00 H new ATOM 1441 N ILE A 91 8.437 -6.600 5.018 1.00 0.00 N ATOM 1442 CA ILE A 91 9.108 -5.741 4.000 1.00 0.00 C ATOM 1443 C ILE A 91 10.271 -4.973 4.640 1.00 0.00 C ATOM 1444 O ILE A 91 10.079 -4.150 5.514 1.00 0.00 O ATOM 1445 CB ILE A 91 8.016 -4.784 3.495 1.00 0.00 C ATOM 1446 CG1 ILE A 91 7.095 -5.536 2.525 1.00 0.00 C ATOM 1447 CG2 ILE A 91 8.652 -3.595 2.766 1.00 0.00 C ATOM 1448 CD1 ILE A 91 5.688 -4.937 2.577 1.00 0.00 C ATOM 0 H ILE A 91 7.698 -6.142 5.552 1.00 0.00 H new ATOM 0 HA ILE A 91 9.534 -6.322 3.182 1.00 0.00 H new ATOM 0 HB ILE A 91 7.443 -4.416 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.490 -5.473 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.060 -6.593 2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.869 -2.924 2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.309 -3.058 3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.231 -3.957 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.038 -5.474 1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.293 -5.024 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.729 -3.886 2.292 1.00 0.00 H new ATOM 1460 N SER A 92 11.475 -5.245 4.205 1.00 0.00 N ATOM 1461 CA SER A 92 12.669 -4.543 4.773 1.00 0.00 C ATOM 1462 C SER A 92 13.115 -3.399 3.849 1.00 0.00 C ATOM 1463 O SER A 92 12.482 -3.110 2.849 1.00 0.00 O ATOM 1464 CB SER A 92 13.757 -5.615 4.859 1.00 0.00 C ATOM 1465 OG SER A 92 14.871 -5.103 5.581 1.00 0.00 O ATOM 0 H SER A 92 11.685 -5.927 3.476 1.00 0.00 H new ATOM 0 HA SER A 92 12.455 -4.096 5.744 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.367 -6.505 5.353 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.066 -5.916 3.858 1.00 0.00 H new ATOM 0 HG SER A 92 15.568 -5.790 5.638 1.00 0.00 H new ATOM 1471 N GLN A 93 14.202 -2.748 4.181 1.00 0.00 N ATOM 1472 CA GLN A 93 14.702 -1.623 3.332 1.00 0.00 C ATOM 1473 C GLN A 93 15.354 -2.170 2.055 1.00 0.00 C ATOM 1474 O GLN A 93 15.019 -1.768 0.957 1.00 0.00 O ATOM 1475 CB GLN A 93 15.740 -0.891 4.192 1.00 0.00 C ATOM 1476 CG GLN A 93 15.044 0.168 5.053 1.00 0.00 C ATOM 1477 CD GLN A 93 15.643 0.160 6.462 1.00 0.00 C ATOM 1478 OE1 GLN A 93 16.447 1.006 6.796 1.00 0.00 O ATOM 1479 NE2 GLN A 93 15.282 -0.766 7.307 1.00 0.00 N ATOM 0 H GLN A 93 14.767 -2.948 5.007 1.00 0.00 H new ATOM 0 HA GLN A 93 13.895 -0.959 3.021 1.00 0.00 H new ATOM 0 HB2 GLN A 93 16.266 -1.603 4.828 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.488 -0.420 3.554 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.163 1.153 4.602 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.974 -0.034 5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.606 -1.477 7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 93 15.675 -0.779 8.248 1.00 0.00 H new ATOM 1488 N GLN A 94 16.278 -3.089 2.197 1.00 0.00 N ATOM 1489 CA GLN A 94 16.955 -3.673 0.997 1.00 0.00 C ATOM 1490 C GLN A 94 15.941 -4.435 0.136 1.00 0.00 C ATOM 1491 O GLN A 94 15.961 -4.347 -1.076 1.00 0.00 O ATOM 1492 CB GLN A 94 18.015 -4.628 1.557 1.00 0.00 C ATOM 1493 CG GLN A 94 19.132 -3.825 2.231 1.00 0.00 C ATOM 1494 CD GLN A 94 20.146 -3.371 1.177 1.00 0.00 C ATOM 1495 OE1 GLN A 94 19.949 -2.367 0.523 1.00 0.00 O ATOM 1496 NE2 GLN A 94 21.228 -4.071 0.983 1.00 0.00 N ATOM 0 H GLN A 94 16.593 -3.460 3.093 1.00 0.00 H new ATOM 0 HA GLN A 94 17.398 -2.907 0.361 1.00 0.00 H new ATOM 0 HB2 GLN A 94 17.560 -5.310 2.276 1.00 0.00 H new ATOM 0 HB3 GLN A 94 18.427 -5.239 0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 94 18.713 -2.959 2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 94 19.627 -4.435 2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 94 21.395 -4.915 1.532 1.00 0.00 H new ATOM 0 HE22 GLN A 94 21.908 -3.775 0.283 1.00 0.00 H new ATOM 1505 N GLU A 95 15.049 -5.171 0.759 1.00 0.00 N ATOM 1506 CA GLU A 95 14.016 -5.936 -0.013 1.00 0.00 C ATOM 1507 C GLU A 95 13.225 -4.984 -0.915 1.00 0.00 C ATOM 1508 O GLU A 95 13.012 -5.256 -2.083 1.00 0.00 O ATOM 1509 CB GLU A 95 13.098 -6.547 1.052 1.00 0.00 C ATOM 1510 CG GLU A 95 12.838 -8.025 0.746 1.00 0.00 C ATOM 1511 CD GLU A 95 11.776 -8.561 1.714 1.00 0.00 C ATOM 1512 OE1 GLU A 95 10.633 -8.146 1.598 1.00 0.00 O ATOM 1513 OE2 GLU A 95 12.126 -9.371 2.559 1.00 0.00 O ATOM 0 H GLU A 95 14.992 -5.275 1.772 1.00 0.00 H new ATOM 0 HA GLU A 95 14.458 -6.696 -0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.555 -6.448 2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.154 -6.004 1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.501 -8.142 -0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.760 -8.597 0.846 1.00 0.00 H new ATOM 1520 N ALA A 96 12.805 -3.862 -0.383 1.00 0.00 N ATOM 1521 CA ALA A 96 12.042 -2.877 -1.208 1.00 0.00 C ATOM 1522 C ALA A 96 12.946 -2.332 -2.315 1.00 0.00 C ATOM 1523 O ALA A 96 12.525 -2.151 -3.442 1.00 0.00 O ATOM 1524 CB ALA A 96 11.639 -1.764 -0.238 1.00 0.00 C ATOM 0 H ALA A 96 12.958 -3.587 0.587 1.00 0.00 H new ATOM 0 HA ALA A 96 11.169 -3.319 -1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 96 11.073 -1.002 -0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.022 -2.181 0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.534 -1.316 0.193 1.00 0.00 H new ATOM 1530 N ASN A 97 14.196 -2.089 -2.000 1.00 0.00 N ATOM 1531 CA ASN A 97 15.152 -1.575 -3.026 1.00 0.00 C ATOM 1532 C ASN A 97 15.341 -2.622 -4.126 1.00 0.00 C ATOM 1533 O ASN A 97 15.437 -2.295 -5.293 1.00 0.00 O ATOM 1534 CB ASN A 97 16.462 -1.338 -2.272 1.00 0.00 C ATOM 1535 CG ASN A 97 17.344 -0.387 -3.078 1.00 0.00 C ATOM 1536 OD1 ASN A 97 17.165 0.813 -3.025 1.00 0.00 O ATOM 1537 ND2 ASN A 97 18.295 -0.872 -3.828 1.00 0.00 N ATOM 0 H ASN A 97 14.595 -2.226 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 97 14.797 -0.663 -3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.257 -0.916 -1.288 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.979 -2.284 -2.112 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.888 -0.243 -4.370 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.445 -1.880 -3.873 1.00 0.00 H new ATOM 1544 N GLN A 98 15.375 -3.882 -3.760 1.00 0.00 N ATOM 1545 CA GLN A 98 15.532 -4.953 -4.785 1.00 0.00 C ATOM 1546 C GLN A 98 14.301 -4.959 -5.694 1.00 0.00 C ATOM 1547 O GLN A 98 14.415 -5.068 -6.900 1.00 0.00 O ATOM 1548 CB GLN A 98 15.647 -6.262 -3.998 1.00 0.00 C ATOM 1549 CG GLN A 98 17.076 -6.416 -3.467 1.00 0.00 C ATOM 1550 CD GLN A 98 17.054 -7.159 -2.127 1.00 0.00 C ATOM 1551 OE1 GLN A 98 16.396 -8.170 -1.990 1.00 0.00 O ATOM 1552 NE2 GLN A 98 17.752 -6.699 -1.125 1.00 0.00 N ATOM 0 H GLN A 98 15.301 -4.210 -2.797 1.00 0.00 H new ATOM 0 HA GLN A 98 16.405 -4.806 -5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.938 -6.264 -3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 98 15.393 -7.107 -4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 98 17.684 -6.963 -4.187 1.00 0.00 H new ATOM 0 HG3 GLN A 98 17.535 -5.435 -3.342 1.00 0.00 H new ATOM 0 HE21 GLN A 98 18.306 -5.850 -1.237 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.744 -7.189 -0.230 1.00 0.00 H new ATOM 1561 N TRP A 99 13.126 -4.813 -5.124 1.00 0.00 N ATOM 1562 CA TRP A 99 11.891 -4.777 -5.962 1.00 0.00 C ATOM 1563 C TRP A 99 11.931 -3.540 -6.863 1.00 0.00 C ATOM 1564 O TRP A 99 11.616 -3.608 -8.036 1.00 0.00 O ATOM 1565 CB TRP A 99 10.722 -4.682 -4.980 1.00 0.00 C ATOM 1566 CG TRP A 99 9.440 -4.849 -5.733 1.00 0.00 C ATOM 1567 CD1 TRP A 99 9.180 -5.851 -6.605 1.00 0.00 C ATOM 1568 CD2 TRP A 99 8.248 -4.009 -5.709 1.00 0.00 C ATOM 1569 NE1 TRP A 99 7.907 -5.680 -7.116 1.00 0.00 N ATOM 1570 CE2 TRP A 99 7.293 -4.560 -6.594 1.00 0.00 C ATOM 1571 CE3 TRP A 99 7.906 -2.836 -5.013 1.00 0.00 C ATOM 1572 CZ2 TRP A 99 6.044 -3.971 -6.781 1.00 0.00 C ATOM 1573 CZ3 TRP A 99 6.648 -2.241 -5.199 1.00 0.00 C ATOM 1574 CH2 TRP A 99 5.720 -2.808 -6.082 1.00 0.00 C ATOM 0 H TRP A 99 12.973 -4.718 -4.120 1.00 0.00 H new ATOM 0 HA TRP A 99 11.798 -5.656 -6.600 1.00 0.00 H new ATOM 0 HB2 TRP A 99 10.811 -5.451 -4.213 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.736 -3.719 -4.469 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.857 -6.653 -6.860 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.474 -6.305 -7.796 1.00 0.00 H new ATOM 0 HE3 TRP A 99 8.615 -2.390 -4.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.332 -4.412 -7.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.394 -1.341 -4.658 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.754 -2.345 -6.222 1.00 0.00 H new ATOM 1585 N LEU A 100 12.331 -2.411 -6.317 1.00 0.00 N ATOM 1586 CA LEU A 100 12.417 -1.160 -7.138 1.00 0.00 C ATOM 1587 C LEU A 100 13.274 -1.421 -8.384 1.00 0.00 C ATOM 1588 O LEU A 100 12.976 -0.944 -9.463 1.00 0.00 O ATOM 1589 CB LEU A 100 13.089 -0.110 -6.240 1.00 0.00 C ATOM 1590 CG LEU A 100 12.035 0.579 -5.367 1.00 0.00 C ATOM 1591 CD1 LEU A 100 12.714 1.234 -4.162 1.00 0.00 C ATOM 1592 CD2 LEU A 100 11.315 1.654 -6.190 1.00 0.00 C ATOM 0 H LEU A 100 12.601 -2.304 -5.339 1.00 0.00 H new ATOM 0 HA LEU A 100 11.436 -0.824 -7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 100 13.842 -0.585 -5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 100 13.606 0.629 -6.853 1.00 0.00 H new ATOM 0 HG LEU A 100 11.314 -0.161 -5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 100 11.962 1.723 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 100 13.228 0.472 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 100 13.436 1.973 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 100 10.565 2.145 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 100 12.038 2.392 -6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.829 1.190 -7.049 1.00 0.00 H new