USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 537 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 14 GLN : amide:sc= 0.00775 X(o=0.0078,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 20 ASN : amide:sc= -1.69! C(o=-1.7!,f=-10!) USER MOD Single : A 21 ASN : amide:sc= -0.0733 X(o=-0.073,f=-0.37) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0829! C(o=-0.083!,f=-11!) USER MOD Single : A 41 THR OG1 : rot -93:sc= 1.14 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 40:sc= 0.744 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 108:sc= 0.335 USER MOD Single : A 56 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.4) USER MOD Single : A 64 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.8) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -126:sc= -0.551 (180deg=-3.84!) USER MOD Single : A 87 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.071) USER MOD Single : A 89 MET CE :methyl -171:sc= -0.315 (180deg=-0.343) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N VAL A 9 -6.419 13.241 0.940 1.00 0.00 N ATOM 127 CA VAL A 9 -5.592 12.061 1.152 1.00 0.00 C ATOM 128 C VAL A 9 -5.396 11.795 2.639 1.00 0.00 C ATOM 129 O VAL A 9 -5.355 12.721 3.449 1.00 0.00 O ATOM 130 CB VAL A 9 -4.211 12.196 0.480 1.00 0.00 C ATOM 131 CG1 VAL A 9 -3.406 10.915 0.660 1.00 0.00 C ATOM 132 CG2 VAL A 9 -4.364 12.541 -0.993 1.00 0.00 C ATOM 0 HA VAL A 9 -6.120 11.224 0.695 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.668 13.010 0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.434 11.026 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.266 10.720 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.942 10.082 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.378 12.632 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.925 11.753 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.898 13.486 -1.092 1.00 0.00 H new ATOM 142 N GLY A 10 -5.296 10.520 2.989 1.00 0.00 N ATOM 143 CA GLY A 10 -5.101 10.143 4.372 1.00 0.00 C ATOM 144 C GLY A 10 -3.640 9.901 4.690 1.00 0.00 C ATOM 145 O GLY A 10 -3.196 10.117 5.818 1.00 0.00 O ATOM 0 H GLY A 10 -5.347 9.738 2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.489 10.929 5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.674 9.241 4.587 1.00 0.00 H new ATOM 149 N TRP A 11 -2.888 9.469 3.681 1.00 0.00 N ATOM 150 CA TRP A 11 -1.463 9.210 3.838 1.00 0.00 C ATOM 151 C TRP A 11 -0.658 10.490 3.622 1.00 0.00 C ATOM 152 O TRP A 11 -0.781 11.149 2.589 1.00 0.00 O ATOM 153 CB TRP A 11 -1.016 8.108 2.861 1.00 0.00 C ATOM 154 CG TRP A 11 0.468 8.030 2.650 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.345 7.206 3.294 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.245 8.801 1.727 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.621 7.419 2.830 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.585 8.394 1.867 1.00 0.00 C ATOM 159 CE3 TRP A 11 0.937 9.797 0.795 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.615 8.949 1.112 1.00 0.00 C ATOM 161 CZ3 TRP A 11 1.960 10.347 0.046 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.284 9.922 0.208 1.00 0.00 C ATOM 0 H TRP A 11 -3.246 9.291 2.743 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.278 8.865 4.855 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.369 7.146 3.232 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.499 8.275 1.898 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.076 6.491 4.057 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.458 6.931 3.150 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.082 10.130 0.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.637 8.624 1.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.734 11.118 -0.676 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.061 10.371 -0.393 1.00 0.00 H new ATOM 173 N ASP A 12 0.166 10.833 4.606 1.00 0.00 N ATOM 174 CA ASP A 12 0.990 12.033 4.532 1.00 0.00 C ATOM 175 C ASP A 12 2.461 11.673 4.318 1.00 0.00 C ATOM 176 O ASP A 12 3.006 10.834 5.036 1.00 0.00 O ATOM 177 CB ASP A 12 0.840 12.854 5.815 1.00 0.00 C ATOM 178 CG ASP A 12 0.009 14.104 5.607 1.00 0.00 C ATOM 179 OD1 ASP A 12 -1.179 13.973 5.242 1.00 0.00 O ATOM 180 OD2 ASP A 12 0.546 15.214 5.807 1.00 0.00 O ATOM 0 H ASP A 12 0.281 10.296 5.465 1.00 0.00 H new ATOM 0 HA ASP A 12 0.651 12.626 3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.377 12.237 6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.828 13.134 6.181 1.00 0.00 H new ATOM 185 N PRO A 13 3.130 12.308 3.336 1.00 0.00 N ATOM 186 CA PRO A 13 4.547 12.045 3.042 1.00 0.00 C ATOM 187 C PRO A 13 5.457 12.364 4.225 1.00 0.00 C ATOM 188 O PRO A 13 6.192 13.351 4.203 1.00 0.00 O ATOM 189 CB PRO A 13 4.861 12.984 1.871 1.00 0.00 C ATOM 190 CG PRO A 13 3.538 13.334 1.285 1.00 0.00 C ATOM 191 CD PRO A 13 2.561 13.316 2.425 1.00 0.00 C ATOM 0 HA PRO A 13 4.718 10.992 2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.389 13.875 2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.501 12.496 1.136 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.568 14.316 0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.251 12.618 0.514 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.481 14.292 2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.560 13.041 2.094 1.00 0.00 H new ATOM 199 N GLN A 14 5.412 11.520 5.251 1.00 0.00 N ATOM 200 CA GLN A 14 6.237 11.715 6.439 1.00 0.00 C ATOM 201 C GLN A 14 5.853 10.726 7.536 1.00 0.00 C ATOM 202 O GLN A 14 6.649 9.868 7.919 1.00 0.00 O ATOM 203 CB GLN A 14 6.095 13.148 6.959 1.00 0.00 C ATOM 204 CG GLN A 14 7.351 13.986 6.783 1.00 0.00 C ATOM 205 CD GLN A 14 7.087 15.472 6.932 1.00 0.00 C ATOM 206 OE1 GLN A 14 7.494 16.092 7.914 1.00 0.00 O ATOM 207 NE2 GLN A 14 6.398 16.051 5.955 1.00 0.00 N ATOM 0 H GLN A 14 4.813 10.695 5.284 1.00 0.00 H new ATOM 0 HA GLN A 14 7.276 11.539 6.160 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.268 13.634 6.440 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.834 13.118 8.017 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.095 13.678 7.518 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.777 13.793 5.798 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.080 15.499 5.159 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.187 17.048 6.001 1.00 0.00 H new ATOM 216 N ASN A 15 4.629 10.853 8.037 1.00 0.00 N ATOM 217 CA ASN A 15 4.137 9.971 9.089 1.00 0.00 C ATOM 218 C ASN A 15 4.100 8.523 8.614 1.00 0.00 C ATOM 219 O ASN A 15 4.518 7.614 9.331 1.00 0.00 O ATOM 220 CB ASN A 15 2.742 10.410 9.538 1.00 0.00 C ATOM 221 CG ASN A 15 2.749 11.037 10.918 1.00 0.00 C ATOM 222 OD1 ASN A 15 3.075 10.380 11.908 1.00 0.00 O ATOM 223 ND2 ASN A 15 2.389 12.312 10.991 1.00 0.00 N ATOM 0 H ASN A 15 3.959 11.559 7.731 1.00 0.00 H new ATOM 0 HA ASN A 15 4.822 10.037 9.935 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.340 11.124 8.819 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.075 9.548 9.537 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.375 12.787 11.894 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.127 12.817 10.145 1.00 0.00 H new ATOM 230 N GLY A 16 3.597 8.314 7.400 1.00 0.00 N ATOM 231 CA GLY A 16 3.518 6.972 6.851 1.00 0.00 C ATOM 232 C GLY A 16 2.094 6.461 6.768 1.00 0.00 C ATOM 233 O GLY A 16 1.237 7.089 6.147 1.00 0.00 O ATOM 0 H GLY A 16 3.243 9.049 6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.962 6.964 5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.108 6.295 7.469 1.00 0.00 H new ATOM 237 N PHE A 17 1.841 5.316 7.395 1.00 0.00 N ATOM 238 CA PHE A 17 0.511 4.718 7.389 1.00 0.00 C ATOM 239 C PHE A 17 -0.275 5.124 8.631 1.00 0.00 C ATOM 240 O PHE A 17 0.274 5.716 9.560 1.00 0.00 O ATOM 241 CB PHE A 17 0.615 3.193 7.316 1.00 0.00 C ATOM 242 CG PHE A 17 0.593 2.654 5.916 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.608 2.342 5.299 1.00 0.00 C ATOM 244 CD2 PHE A 17 1.773 2.454 5.218 1.00 0.00 C ATOM 245 CE1 PHE A 17 -0.631 1.844 4.009 1.00 0.00 C ATOM 246 CE2 PHE A 17 1.756 1.958 3.928 1.00 0.00 C ATOM 247 CZ PHE A 17 0.553 1.650 3.323 1.00 0.00 C ATOM 0 H PHE A 17 2.540 4.784 7.914 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.019 5.083 6.509 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.537 2.877 7.803 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.209 2.754 7.878 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.536 2.489 5.831 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.717 2.688 5.687 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.574 1.607 3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.683 1.811 3.393 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.538 1.259 2.317 1.00 0.00 H new ATOM 257 N ASP A 18 -1.562 4.796 8.642 1.00 0.00 N ATOM 258 CA ASP A 18 -2.425 5.121 9.772 1.00 0.00 C ATOM 259 C ASP A 18 -3.182 3.884 10.246 1.00 0.00 C ATOM 260 O ASP A 18 -4.409 3.820 10.161 1.00 0.00 O ATOM 261 CB ASP A 18 -3.411 6.226 9.389 1.00 0.00 C ATOM 262 CG ASP A 18 -3.046 7.564 10.000 1.00 0.00 C ATOM 263 OD1 ASP A 18 -2.029 8.153 9.575 1.00 0.00 O ATOM 264 OD2 ASP A 18 -3.775 8.023 10.905 1.00 0.00 O ATOM 0 H ASP A 18 -2.031 4.305 7.881 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.797 5.477 10.589 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.442 6.322 8.304 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.413 5.943 9.712 1.00 0.00 H new ATOM 269 N VAL A 19 -2.440 2.898 10.740 1.00 0.00 N ATOM 270 CA VAL A 19 -3.036 1.661 11.225 1.00 0.00 C ATOM 271 C VAL A 19 -3.879 1.910 12.471 1.00 0.00 C ATOM 272 O VAL A 19 -4.902 1.257 12.680 1.00 0.00 O ATOM 273 CB VAL A 19 -1.960 0.608 11.547 1.00 0.00 C ATOM 274 CG1 VAL A 19 -1.141 0.286 10.306 1.00 0.00 C ATOM 275 CG2 VAL A 19 -1.064 1.089 12.677 1.00 0.00 C ATOM 0 H VAL A 19 -1.423 2.933 10.814 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.675 1.283 10.427 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.457 -0.306 11.873 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.385 -0.460 10.552 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.797 -0.105 9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.653 1.192 9.947 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.310 0.332 12.891 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.574 2.017 12.383 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.666 1.264 13.569 1.00 0.00 H new ATOM 285 N ASN A 20 -3.448 2.862 13.291 1.00 0.00 N ATOM 286 CA ASN A 20 -4.167 3.200 14.513 1.00 0.00 C ATOM 287 C ASN A 20 -5.620 3.540 14.206 1.00 0.00 C ATOM 288 O ASN A 20 -6.509 3.314 15.029 1.00 0.00 O ATOM 289 CB ASN A 20 -3.491 4.379 15.216 1.00 0.00 C ATOM 290 CG ASN A 20 -3.235 5.542 14.278 1.00 0.00 C ATOM 291 OD1 ASN A 20 -4.038 5.824 13.388 1.00 0.00 O ATOM 292 ND2 ASN A 20 -2.111 6.222 14.470 1.00 0.00 N ATOM 0 H ASN A 20 -2.605 3.413 13.132 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.146 2.333 15.173 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.118 4.714 16.042 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.546 4.048 15.647 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.884 7.013 13.867 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.474 5.953 15.220 1.00 0.00 H new ATOM 299 N ASN A 21 -5.855 4.080 13.016 1.00 0.00 N ATOM 300 CA ASN A 21 -7.201 4.445 12.592 1.00 0.00 C ATOM 301 C ASN A 21 -7.429 4.063 11.133 1.00 0.00 C ATOM 302 O ASN A 21 -8.093 4.784 10.388 1.00 0.00 O ATOM 303 CB ASN A 21 -7.429 5.945 12.784 1.00 0.00 C ATOM 304 CG ASN A 21 -8.459 6.238 13.856 1.00 0.00 C ATOM 305 OD1 ASN A 21 -9.503 5.588 13.925 1.00 0.00 O ATOM 306 ND2 ASN A 21 -8.172 7.221 14.701 1.00 0.00 N ATOM 0 H ASN A 21 -5.129 4.275 12.326 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.914 3.897 13.208 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.486 6.422 13.049 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.754 6.384 11.841 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.828 7.463 15.443 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.295 7.734 14.608 1.00 0.00 H new ATOM 313 N LEU A 22 -6.872 2.925 10.733 1.00 0.00 N ATOM 314 CA LEU A 22 -7.009 2.446 9.361 1.00 0.00 C ATOM 315 C LEU A 22 -8.445 2.018 9.075 1.00 0.00 C ATOM 316 O LEU A 22 -9.119 1.451 9.936 1.00 0.00 O ATOM 317 CB LEU A 22 -6.053 1.275 9.110 1.00 0.00 C ATOM 318 CG LEU A 22 -4.968 1.536 8.064 1.00 0.00 C ATOM 319 CD1 LEU A 22 -4.145 0.279 7.825 1.00 0.00 C ATOM 320 CD2 LEU A 22 -5.586 2.025 6.762 1.00 0.00 C ATOM 0 H LEU A 22 -6.321 2.317 11.339 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.753 3.265 8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.572 1.011 10.052 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.637 0.410 8.797 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.306 2.315 8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.378 0.483 7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.671 -0.028 8.757 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.796 -0.519 7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.798 2.205 6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.272 1.269 6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.131 2.951 6.943 1.00 0.00 H new ATOM 332 N ASP A 23 -8.910 2.297 7.861 1.00 0.00 N ATOM 333 CA ASP A 23 -10.267 1.942 7.461 1.00 0.00 C ATOM 334 C ASP A 23 -10.504 0.442 7.619 1.00 0.00 C ATOM 335 O ASP A 23 -9.634 -0.367 7.296 1.00 0.00 O ATOM 336 CB ASP A 23 -10.521 2.360 6.012 1.00 0.00 C ATOM 337 CG ASP A 23 -11.436 3.564 5.909 1.00 0.00 C ATOM 338 OD1 ASP A 23 -11.503 4.345 6.881 1.00 0.00 O ATOM 339 OD2 ASP A 23 -12.088 3.725 4.855 1.00 0.00 O ATOM 0 H ASP A 23 -8.367 2.768 7.137 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.962 2.473 8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.570 2.588 5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.962 1.525 5.468 1.00 0.00 H new ATOM 344 N PRO A 24 -11.689 0.049 8.119 1.00 0.00 N ATOM 345 CA PRO A 24 -12.029 -1.364 8.324 1.00 0.00 C ATOM 346 C PRO A 24 -11.837 -2.200 7.063 1.00 0.00 C ATOM 347 O PRO A 24 -11.311 -3.311 7.118 1.00 0.00 O ATOM 348 CB PRO A 24 -13.507 -1.322 8.717 1.00 0.00 C ATOM 349 CG PRO A 24 -13.710 0.038 9.290 1.00 0.00 C ATOM 350 CD PRO A 24 -12.782 0.947 8.534 1.00 0.00 C ATOM 0 HA PRO A 24 -11.388 -1.830 9.072 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.151 -1.487 7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.745 -2.098 9.445 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.746 0.358 9.179 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.485 0.050 10.357 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.276 1.402 7.676 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.418 1.761 9.161 1.00 0.00 H new ATOM 358 N ASP A 25 -12.271 -1.661 5.928 1.00 0.00 N ATOM 359 CA ASP A 25 -12.155 -2.363 4.655 1.00 0.00 C ATOM 360 C ASP A 25 -10.701 -2.441 4.201 1.00 0.00 C ATOM 361 O ASP A 25 -10.148 -3.528 4.037 1.00 0.00 O ATOM 362 CB ASP A 25 -12.997 -1.665 3.586 1.00 0.00 C ATOM 363 CG ASP A 25 -13.718 -2.649 2.685 1.00 0.00 C ATOM 364 OD1 ASP A 25 -14.157 -3.703 3.190 1.00 0.00 O ATOM 365 OD2 ASP A 25 -13.844 -2.364 1.476 1.00 0.00 O ATOM 0 H ASP A 25 -12.706 -0.741 5.864 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.525 -3.378 4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.728 -1.016 4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.354 -1.026 2.981 1.00 0.00 H new ATOM 370 N LEU A 26 -10.087 -1.280 3.995 1.00 0.00 N ATOM 371 CA LEU A 26 -8.698 -1.216 3.553 1.00 0.00 C ATOM 372 C LEU A 26 -7.807 -2.108 4.412 1.00 0.00 C ATOM 373 O LEU A 26 -6.889 -2.754 3.906 1.00 0.00 O ATOM 374 CB LEU A 26 -8.195 0.228 3.597 1.00 0.00 C ATOM 375 CG LEU A 26 -6.900 0.485 2.823 1.00 0.00 C ATOM 376 CD1 LEU A 26 -5.714 -0.114 3.560 1.00 0.00 C ATOM 377 CD2 LEU A 26 -7.000 -0.084 1.416 1.00 0.00 C ATOM 0 H LEU A 26 -10.529 -0.371 4.127 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.653 -1.578 2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.973 0.880 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.041 0.512 4.638 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.749 1.562 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.801 0.078 2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.633 0.340 4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.857 -1.189 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.071 0.107 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.173 -1.159 1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.828 0.391 0.889 1.00 0.00 H new ATOM 389 N ARG A 27 -8.086 -2.145 5.711 1.00 0.00 N ATOM 390 CA ARG A 27 -7.311 -2.967 6.634 1.00 0.00 C ATOM 391 C ARG A 27 -7.247 -4.411 6.148 1.00 0.00 C ATOM 392 O ARG A 27 -6.274 -5.120 6.401 1.00 0.00 O ATOM 393 CB ARG A 27 -7.922 -2.918 8.035 1.00 0.00 C ATOM 394 CG ARG A 27 -6.934 -2.507 9.114 1.00 0.00 C ATOM 395 CD ARG A 27 -7.140 -3.304 10.391 1.00 0.00 C ATOM 396 NE ARG A 27 -8.489 -3.143 10.924 1.00 0.00 N ATOM 397 CZ ARG A 27 -8.927 -2.028 11.499 1.00 0.00 C ATOM 398 NH1 ARG A 27 -8.122 -0.981 11.615 1.00 0.00 N ATOM 399 NH2 ARG A 27 -10.168 -1.959 11.958 1.00 0.00 N ATOM 0 H ARG A 27 -8.841 -1.617 6.148 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.298 -2.566 6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.758 -2.219 8.034 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.328 -3.899 8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.916 -2.654 8.752 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.046 -1.444 9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.952 -4.359 10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.414 -2.985 11.139 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.132 -3.931 10.851 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.166 -1.031 11.263 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.459 -0.125 12.056 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.790 -2.763 11.870 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.502 -1.102 12.399 1.00 0.00 H new ATOM 413 N SER A 28 -8.294 -4.839 5.452 1.00 0.00 N ATOM 414 CA SER A 28 -8.354 -6.195 4.920 1.00 0.00 C ATOM 415 C SER A 28 -7.637 -6.273 3.577 1.00 0.00 C ATOM 416 O SER A 28 -7.029 -7.290 3.244 1.00 0.00 O ATOM 417 CB SER A 28 -9.809 -6.642 4.764 1.00 0.00 C ATOM 418 OG SER A 28 -10.336 -7.102 5.996 1.00 0.00 O ATOM 0 H SER A 28 -9.112 -4.267 5.243 1.00 0.00 H new ATOM 0 HA SER A 28 -7.854 -6.862 5.623 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.410 -5.811 4.395 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.871 -7.436 4.019 1.00 0.00 H new ATOM 0 HG SER A 28 -11.267 -7.380 5.870 1.00 0.00 H new ATOM 424 N LEU A 29 -7.712 -5.189 2.812 1.00 0.00 N ATOM 425 CA LEU A 29 -7.060 -5.122 1.512 1.00 0.00 C ATOM 426 C LEU A 29 -5.567 -5.414 1.640 1.00 0.00 C ATOM 427 O LEU A 29 -4.923 -5.843 0.683 1.00 0.00 O ATOM 428 CB LEU A 29 -7.268 -3.740 0.887 1.00 0.00 C ATOM 429 CG LEU A 29 -7.115 -3.685 -0.634 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.646 -2.366 -1.174 1.00 0.00 C ATOM 431 CD2 LEU A 29 -5.659 -3.879 -1.029 1.00 0.00 C ATOM 0 H LEU A 29 -8.220 -4.343 3.072 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.508 -5.878 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.265 -3.386 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.556 -3.046 1.333 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.700 -4.495 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.530 -2.343 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.701 -2.267 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.088 -1.541 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.568 -3.837 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.053 -3.090 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.311 -4.849 -0.673 1.00 0.00 H new ATOM 443 N PHE A 30 -5.023 -5.183 2.833 1.00 0.00 N ATOM 444 CA PHE A 30 -3.608 -5.421 3.089 1.00 0.00 C ATOM 445 C PHE A 30 -3.379 -6.836 3.609 1.00 0.00 C ATOM 446 O PHE A 30 -2.699 -7.640 2.972 1.00 0.00 O ATOM 447 CB PHE A 30 -3.076 -4.406 4.103 1.00 0.00 C ATOM 448 CG PHE A 30 -2.535 -3.154 3.475 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.446 -3.206 2.622 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.112 -1.923 3.746 1.00 0.00 C ATOM 451 CE1 PHE A 30 -0.943 -2.055 2.047 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.614 -0.768 3.173 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.527 -0.834 2.323 1.00 0.00 C ATOM 0 H PHE A 30 -5.543 -4.831 3.637 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.070 -5.306 2.148 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.877 -4.140 4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.290 -4.874 4.695 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.984 -4.158 2.403 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.960 -1.866 4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.094 -2.110 1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.074 0.185 3.389 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.135 0.067 1.875 1.00 0.00 H new ATOM 463 N SER A 31 -3.951 -7.133 4.773 1.00 0.00 N ATOM 464 CA SER A 31 -3.808 -8.450 5.384 1.00 0.00 C ATOM 465 C SER A 31 -4.120 -9.555 4.380 1.00 0.00 C ATOM 466 O SER A 31 -3.625 -10.676 4.504 1.00 0.00 O ATOM 467 CB SER A 31 -4.730 -8.575 6.597 1.00 0.00 C ATOM 468 OG SER A 31 -4.644 -9.866 7.174 1.00 0.00 O ATOM 0 H SER A 31 -4.518 -6.478 5.312 1.00 0.00 H new ATOM 0 HA SER A 31 -2.773 -8.560 5.708 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.463 -7.823 7.340 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.759 -8.375 6.297 1.00 0.00 H new ATOM 0 HG SER A 31 -5.242 -9.919 7.948 1.00 0.00 H new ATOM 474 N ARG A 32 -4.942 -9.232 3.388 1.00 0.00 N ATOM 475 CA ARG A 32 -5.318 -10.197 2.362 1.00 0.00 C ATOM 476 C ARG A 32 -4.249 -10.282 1.279 1.00 0.00 C ATOM 477 O ARG A 32 -4.082 -11.318 0.635 1.00 0.00 O ATOM 478 CB ARG A 32 -6.662 -9.816 1.742 1.00 0.00 C ATOM 479 CG ARG A 32 -7.859 -10.217 2.591 1.00 0.00 C ATOM 480 CD ARG A 32 -9.088 -9.391 2.252 1.00 0.00 C ATOM 481 NE ARG A 32 -10.275 -9.863 2.958 1.00 0.00 N ATOM 482 CZ ARG A 32 -10.941 -10.964 2.625 1.00 0.00 C ATOM 483 NH1 ARG A 32 -10.536 -11.702 1.599 1.00 0.00 N ATOM 484 NH2 ARG A 32 -12.013 -11.329 3.315 1.00 0.00 N ATOM 0 H ARG A 32 -5.361 -8.309 3.273 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.409 -11.175 2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.686 -8.738 1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.748 -10.287 0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.077 -11.274 2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.616 -10.092 3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.905 -8.347 2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.266 -9.430 1.177 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.612 -9.318 3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.713 -11.425 1.065 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.048 -12.547 1.345 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.329 -10.764 4.104 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.522 -12.174 3.057 1.00 0.00 H new ATOM 498 N ALA A 33 -3.523 -9.185 1.084 1.00 0.00 N ATOM 499 CA ALA A 33 -2.464 -9.137 0.083 1.00 0.00 C ATOM 500 C ALA A 33 -1.154 -9.698 0.634 1.00 0.00 C ATOM 501 O ALA A 33 -0.258 -10.066 -0.126 1.00 0.00 O ATOM 502 CB ALA A 33 -2.267 -7.712 -0.410 1.00 0.00 C ATOM 0 H ALA A 33 -3.649 -8.318 1.606 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.767 -9.761 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.473 -7.692 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.194 -7.350 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.993 -7.072 0.428 1.00 0.00 H new ATOM 508 N GLY A 34 -1.045 -9.760 1.960 1.00 0.00 N ATOM 509 CA GLY A 34 0.161 -10.278 2.579 1.00 0.00 C ATOM 510 C GLY A 34 1.057 -9.178 3.114 1.00 0.00 C ATOM 511 O GLY A 34 2.280 -9.259 3.009 1.00 0.00 O ATOM 0 H GLY A 34 -1.769 -9.461 2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.112 -10.949 3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.714 -10.871 1.850 1.00 0.00 H new ATOM 515 N ILE A 35 0.444 -8.150 3.692 1.00 0.00 N ATOM 516 CA ILE A 35 1.191 -7.027 4.245 1.00 0.00 C ATOM 517 C ILE A 35 0.802 -6.771 5.697 1.00 0.00 C ATOM 518 O ILE A 35 -0.369 -6.556 6.007 1.00 0.00 O ATOM 519 CB ILE A 35 0.957 -5.743 3.429 1.00 0.00 C ATOM 520 CG1 ILE A 35 1.288 -5.984 1.955 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.792 -4.601 3.987 1.00 0.00 C ATOM 522 CD1 ILE A 35 1.127 -4.754 1.089 1.00 0.00 C ATOM 0 H ILE A 35 -0.568 -8.072 3.789 1.00 0.00 H new ATOM 0 HA ILE A 35 2.247 -7.293 4.196 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.095 -5.467 3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.314 -6.342 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.644 -6.775 1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.615 -3.700 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.512 -4.418 5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.848 -4.865 3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.379 -5.000 0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.095 -4.407 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.791 -3.967 1.447 1.00 0.00 H new ATOM 534 N SER A 36 1.792 -6.797 6.583 1.00 0.00 N ATOM 535 CA SER A 36 1.553 -6.566 8.001 1.00 0.00 C ATOM 536 C SER A 36 2.006 -5.168 8.409 1.00 0.00 C ATOM 537 O SER A 36 2.554 -4.422 7.598 1.00 0.00 O ATOM 538 CB SER A 36 2.284 -7.617 8.841 1.00 0.00 C ATOM 539 OG SER A 36 1.670 -8.889 8.713 1.00 0.00 O ATOM 0 H SER A 36 2.767 -6.976 6.343 1.00 0.00 H new ATOM 0 HA SER A 36 0.481 -6.648 8.181 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.326 -7.679 8.526 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.285 -7.314 9.888 1.00 0.00 H new ATOM 0 HG SER A 36 2.156 -9.543 9.257 1.00 0.00 H new ATOM 545 N GLU A 37 1.771 -4.818 9.669 1.00 0.00 N ATOM 546 CA GLU A 37 2.150 -3.506 10.181 1.00 0.00 C ATOM 547 C GLU A 37 3.628 -3.226 9.932 1.00 0.00 C ATOM 548 O GLU A 37 4.042 -2.071 9.829 1.00 0.00 O ATOM 549 CB GLU A 37 1.847 -3.414 11.678 1.00 0.00 C ATOM 550 CG GLU A 37 0.616 -2.582 11.999 1.00 0.00 C ATOM 551 CD GLU A 37 -0.232 -3.196 13.096 1.00 0.00 C ATOM 552 OE1 GLU A 37 0.347 -3.755 14.051 1.00 0.00 O ATOM 553 OE2 GLU A 37 -1.474 -3.118 13.001 1.00 0.00 O ATOM 0 H GLU A 37 1.320 -5.424 10.354 1.00 0.00 H new ATOM 0 HA GLU A 37 1.565 -2.755 9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.709 -4.420 12.075 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.709 -2.985 12.189 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.927 -1.582 12.301 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.013 -2.470 11.098 1.00 0.00 H new ATOM 560 N ALA A 38 4.419 -4.288 9.836 1.00 0.00 N ATOM 561 CA ALA A 38 5.854 -4.157 9.608 1.00 0.00 C ATOM 562 C ALA A 38 6.146 -3.280 8.393 1.00 0.00 C ATOM 563 O ALA A 38 6.908 -2.317 8.479 1.00 0.00 O ATOM 564 CB ALA A 38 6.487 -5.529 9.430 1.00 0.00 C ATOM 0 H ALA A 38 4.091 -5.251 9.913 1.00 0.00 H new ATOM 0 HA ALA A 38 6.289 -3.675 10.483 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.558 -5.416 9.261 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.322 -6.125 10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.035 -6.030 8.574 1.00 0.00 H new ATOM 570 N GLN A 39 5.546 -3.629 7.261 1.00 0.00 N ATOM 571 CA GLN A 39 5.759 -2.890 6.022 1.00 0.00 C ATOM 572 C GLN A 39 5.035 -1.546 6.043 1.00 0.00 C ATOM 573 O GLN A 39 5.476 -0.585 5.413 1.00 0.00 O ATOM 574 CB GLN A 39 5.283 -3.719 4.829 1.00 0.00 C ATOM 575 CG GLN A 39 5.953 -5.080 4.732 1.00 0.00 C ATOM 576 CD GLN A 39 5.108 -6.190 5.321 1.00 0.00 C ATOM 577 OE1 GLN A 39 4.085 -5.937 5.956 1.00 0.00 O ATOM 578 NE2 GLN A 39 5.532 -7.433 5.114 1.00 0.00 N ATOM 0 H GLN A 39 4.908 -4.420 7.175 1.00 0.00 H new ATOM 0 HA GLN A 39 6.827 -2.696 5.927 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.204 -3.858 4.900 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.473 -3.163 3.911 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.162 -5.304 3.686 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.912 -5.046 5.248 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.386 -7.598 4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.003 -8.221 5.488 1.00 0.00 H new ATOM 587 N LEU A 40 3.922 -1.484 6.765 1.00 0.00 N ATOM 588 CA LEU A 40 3.140 -0.256 6.854 1.00 0.00 C ATOM 589 C LEU A 40 3.797 0.745 7.799 1.00 0.00 C ATOM 590 O LEU A 40 3.621 1.955 7.657 1.00 0.00 O ATOM 591 CB LEU A 40 1.720 -0.566 7.326 1.00 0.00 C ATOM 592 CG LEU A 40 0.981 -1.622 6.501 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.163 -2.222 7.305 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.465 -1.020 5.202 1.00 0.00 C ATOM 0 H LEU A 40 3.541 -2.267 7.296 1.00 0.00 H new ATOM 0 HA LEU A 40 3.097 0.189 5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.763 -0.901 8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.139 0.356 7.312 1.00 0.00 H new ATOM 0 HG LEU A 40 1.682 -2.419 6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.677 -2.971 6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.232 -2.690 8.206 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.865 -1.435 7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.058 -1.786 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.221 -0.203 5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.304 -0.639 4.619 1.00 0.00 H new ATOM 606 N THR A 41 4.552 0.233 8.765 1.00 0.00 N ATOM 607 CA THR A 41 5.233 1.084 9.733 1.00 0.00 C ATOM 608 C THR A 41 6.525 1.647 9.149 1.00 0.00 C ATOM 609 O THR A 41 6.999 2.703 9.568 1.00 0.00 O ATOM 610 CB THR A 41 5.538 0.294 11.009 1.00 0.00 C ATOM 611 OG1 THR A 41 6.130 -0.954 10.694 1.00 0.00 O ATOM 612 CG2 THR A 41 4.313 0.023 11.854 1.00 0.00 C ATOM 0 H THR A 41 4.708 -0.766 8.898 1.00 0.00 H new ATOM 0 HA THR A 41 4.573 1.917 9.977 1.00 0.00 H new ATOM 0 HB THR A 41 6.220 0.922 11.582 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.434 -1.641 10.637 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.601 -0.540 12.742 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.862 0.969 12.154 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.593 -0.555 11.275 1.00 0.00 H new ATOM 620 N ASP A 42 7.089 0.937 8.178 1.00 0.00 N ATOM 621 CA ASP A 42 8.326 1.366 7.534 1.00 0.00 C ATOM 622 C ASP A 42 8.075 2.549 6.605 1.00 0.00 C ATOM 623 O ASP A 42 7.541 2.385 5.508 1.00 0.00 O ATOM 624 CB ASP A 42 8.946 0.209 6.749 1.00 0.00 C ATOM 625 CG ASP A 42 10.129 -0.411 7.466 1.00 0.00 C ATOM 626 OD1 ASP A 42 11.199 0.230 7.510 1.00 0.00 O ATOM 627 OD2 ASP A 42 9.985 -1.539 7.984 1.00 0.00 O ATOM 0 H ASP A 42 6.709 0.061 7.819 1.00 0.00 H new ATOM 0 HA ASP A 42 9.020 1.680 8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.189 -0.556 6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.266 0.568 5.771 1.00 0.00 H new ATOM 632 N ALA A 43 8.464 3.738 7.050 1.00 0.00 N ATOM 633 CA ALA A 43 8.280 4.950 6.258 1.00 0.00 C ATOM 634 C ALA A 43 8.802 4.766 4.837 1.00 0.00 C ATOM 635 O ALA A 43 8.321 5.405 3.901 1.00 0.00 O ATOM 636 CB ALA A 43 8.972 6.128 6.928 1.00 0.00 C ATOM 0 H ALA A 43 8.909 3.890 7.955 1.00 0.00 H new ATOM 0 HA ALA A 43 7.211 5.155 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.827 7.025 6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.547 6.283 7.920 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.038 5.920 7.018 1.00 0.00 H new ATOM 642 N GLU A 44 9.790 3.890 4.680 1.00 0.00 N ATOM 643 CA GLU A 44 10.382 3.631 3.373 1.00 0.00 C ATOM 644 C GLU A 44 9.513 2.679 2.555 1.00 0.00 C ATOM 645 O GLU A 44 9.101 3.002 1.441 1.00 0.00 O ATOM 646 CB GLU A 44 11.786 3.047 3.533 1.00 0.00 C ATOM 647 CG GLU A 44 12.763 3.990 4.217 1.00 0.00 C ATOM 648 CD GLU A 44 14.140 3.380 4.390 1.00 0.00 C ATOM 649 OE1 GLU A 44 14.666 2.815 3.408 1.00 0.00 O ATOM 650 OE2 GLU A 44 14.691 3.467 5.507 1.00 0.00 O ATOM 0 H GLU A 44 10.197 3.348 5.442 1.00 0.00 H new ATOM 0 HA GLU A 44 10.447 4.580 2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.723 2.123 4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.176 2.784 2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.847 4.906 3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.368 4.270 5.194 1.00 0.00 H new ATOM 657 N THR A 45 9.243 1.504 3.113 1.00 0.00 N ATOM 658 CA THR A 45 8.432 0.502 2.430 1.00 0.00 C ATOM 659 C THR A 45 7.008 0.999 2.200 1.00 0.00 C ATOM 660 O THR A 45 6.296 0.488 1.337 1.00 0.00 O ATOM 661 CB THR A 45 8.400 -0.796 3.240 1.00 0.00 C ATOM 662 OG1 THR A 45 9.699 -1.352 3.345 1.00 0.00 O ATOM 663 CG2 THR A 45 7.493 -1.851 2.646 1.00 0.00 C ATOM 0 H THR A 45 9.573 1.222 4.036 1.00 0.00 H new ATOM 0 HA THR A 45 8.889 0.313 1.459 1.00 0.00 H new ATOM 0 HB THR A 45 8.010 -0.517 4.219 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.659 -2.180 3.867 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.517 -2.745 3.270 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.473 -1.469 2.599 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.834 -2.100 1.641 1.00 0.00 H new ATOM 671 N SER A 46 6.591 1.992 2.980 1.00 0.00 N ATOM 672 CA SER A 46 5.245 2.540 2.865 1.00 0.00 C ATOM 673 C SER A 46 5.083 3.354 1.583 1.00 0.00 C ATOM 674 O SER A 46 4.066 3.252 0.897 1.00 0.00 O ATOM 675 CB SER A 46 4.926 3.417 4.078 1.00 0.00 C ATOM 676 OG SER A 46 5.143 2.711 5.287 1.00 0.00 O ATOM 0 H SER A 46 7.166 2.433 3.698 1.00 0.00 H new ATOM 0 HA SER A 46 4.547 1.703 2.828 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.549 4.311 4.058 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.889 3.749 4.028 1.00 0.00 H new ATOM 0 HG SER A 46 5.956 2.170 5.209 1.00 0.00 H new ATOM 682 N LYS A 47 6.087 4.168 1.272 1.00 0.00 N ATOM 683 CA LYS A 47 6.049 5.012 0.082 1.00 0.00 C ATOM 684 C LYS A 47 5.725 4.201 -1.168 1.00 0.00 C ATOM 685 O LYS A 47 4.759 4.491 -1.873 1.00 0.00 O ATOM 686 CB LYS A 47 7.392 5.726 -0.098 1.00 0.00 C ATOM 687 CG LYS A 47 7.331 6.914 -1.046 1.00 0.00 C ATOM 688 CD LYS A 47 8.494 6.901 -2.026 1.00 0.00 C ATOM 689 CE LYS A 47 9.784 7.360 -1.367 1.00 0.00 C ATOM 690 NZ LYS A 47 10.902 7.468 -2.346 1.00 0.00 N ATOM 0 H LYS A 47 6.937 4.261 1.828 1.00 0.00 H new ATOM 0 HA LYS A 47 5.258 5.749 0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.745 6.067 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.126 5.012 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.390 6.895 -1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.347 7.841 -0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.625 5.894 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.266 7.550 -2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.624 8.327 -0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.058 6.659 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.763 7.784 -1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.073 6.539 -2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.652 8.156 -3.084 1.00 0.00 H new ATOM 704 N LEU A 48 6.539 3.187 -1.441 1.00 0.00 N ATOM 705 CA LEU A 48 6.341 2.344 -2.615 1.00 0.00 C ATOM 706 C LEU A 48 4.943 1.732 -2.625 1.00 0.00 C ATOM 707 O LEU A 48 4.420 1.375 -3.681 1.00 0.00 O ATOM 708 CB LEU A 48 7.395 1.236 -2.657 1.00 0.00 C ATOM 709 CG LEU A 48 7.215 0.133 -1.612 1.00 0.00 C ATOM 710 CD1 LEU A 48 6.562 -1.091 -2.236 1.00 0.00 C ATOM 711 CD2 LEU A 48 8.552 -0.231 -0.987 1.00 0.00 C ATOM 0 H LEU A 48 7.341 2.929 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 48 6.446 2.972 -3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.384 0.782 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.379 1.686 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 48 6.560 0.506 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.442 -1.865 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.585 -0.819 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.191 -1.467 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.405 -1.017 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.232 -0.585 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.979 0.648 -0.504 1.00 0.00 H new ATOM 723 N ILE A 49 4.344 1.609 -1.446 1.00 0.00 N ATOM 724 CA ILE A 49 3.010 1.029 -1.325 1.00 0.00 C ATOM 725 C ILE A 49 1.925 2.078 -1.535 1.00 0.00 C ATOM 726 O ILE A 49 0.817 1.751 -1.959 1.00 0.00 O ATOM 727 CB ILE A 49 2.811 0.353 0.049 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.834 -0.767 0.239 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.397 -0.197 0.182 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.868 -1.323 1.645 1.00 0.00 C ATOM 0 H ILE A 49 4.759 1.902 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 49 2.925 0.273 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 49 2.960 1.104 0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.609 -1.575 -0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.824 -0.391 -0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.280 -0.669 1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.679 0.617 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.218 -0.934 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.616 -2.113 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.123 -0.527 2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.889 -1.730 1.899 1.00 0.00 H new ATOM 742 N TYR A 50 2.235 3.339 -1.244 1.00 0.00 N ATOM 743 CA TYR A 50 1.244 4.393 -1.408 1.00 0.00 C ATOM 744 C TYR A 50 0.900 4.580 -2.883 1.00 0.00 C ATOM 745 O TYR A 50 -0.190 5.043 -3.219 1.00 0.00 O ATOM 746 CB TYR A 50 1.698 5.709 -0.716 1.00 0.00 C ATOM 747 CG TYR A 50 1.809 6.926 -1.621 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.858 7.053 -2.521 1.00 0.00 C ATOM 749 CD2 TYR A 50 0.854 7.938 -1.577 1.00 0.00 C ATOM 750 CE1 TYR A 50 2.959 8.155 -3.348 1.00 0.00 C ATOM 751 CE2 TYR A 50 0.949 9.042 -2.401 1.00 0.00 C ATOM 752 CZ TYR A 50 2.003 9.147 -3.284 1.00 0.00 C ATOM 753 OH TYR A 50 2.100 10.247 -4.106 1.00 0.00 O ATOM 0 H TYR A 50 3.144 3.649 -0.901 1.00 0.00 H new ATOM 0 HA TYR A 50 0.325 4.092 -0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.995 5.938 0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.668 5.537 -0.249 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.608 6.277 -2.576 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.026 7.858 -0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.783 8.239 -4.041 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.201 9.820 -2.354 1.00 0.00 H new ATOM 0 HH TYR A 50 1.410 10.199 -4.800 1.00 0.00 H new ATOM 763 N ASP A 51 1.804 4.165 -3.760 1.00 0.00 N ATOM 764 CA ASP A 51 1.533 4.210 -5.186 1.00 0.00 C ATOM 765 C ASP A 51 0.306 3.355 -5.511 1.00 0.00 C ATOM 766 O ASP A 51 -0.312 3.515 -6.563 1.00 0.00 O ATOM 767 CB ASP A 51 2.745 3.714 -5.978 1.00 0.00 C ATOM 768 CG ASP A 51 2.782 4.268 -7.388 1.00 0.00 C ATOM 769 OD1 ASP A 51 2.115 5.294 -7.642 1.00 0.00 O ATOM 770 OD2 ASP A 51 3.478 3.677 -8.241 1.00 0.00 O ATOM 0 H ASP A 51 2.722 3.797 -3.510 1.00 0.00 H new ATOM 0 HA ASP A 51 1.333 5.243 -5.471 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.658 3.998 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.727 2.625 -6.019 1.00 0.00 H new ATOM 775 N PHE A 52 -0.055 2.462 -4.583 1.00 0.00 N ATOM 776 CA PHE A 52 -1.197 1.575 -4.767 1.00 0.00 C ATOM 777 C PHE A 52 -2.496 2.217 -4.272 1.00 0.00 C ATOM 778 O PHE A 52 -3.430 2.410 -5.051 1.00 0.00 O ATOM 779 CB PHE A 52 -0.947 0.253 -4.037 1.00 0.00 C ATOM 780 CG PHE A 52 -2.101 -0.706 -4.115 1.00 0.00 C ATOM 781 CD1 PHE A 52 -3.182 -0.582 -3.258 1.00 0.00 C ATOM 782 CD2 PHE A 52 -2.103 -1.731 -5.048 1.00 0.00 C ATOM 783 CE1 PHE A 52 -4.245 -1.464 -3.329 1.00 0.00 C ATOM 784 CE2 PHE A 52 -3.163 -2.614 -5.126 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.235 -2.482 -4.264 1.00 0.00 C ATOM 0 H PHE A 52 0.433 2.338 -3.696 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.310 1.386 -5.834 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.061 -0.223 -4.458 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.729 0.462 -2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.195 0.212 -2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.266 -1.841 -5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.082 -1.357 -2.655 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.154 -3.406 -5.860 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.063 -3.173 -4.321 1.00 0.00 H new ATOM 795 N ILE A 53 -2.563 2.539 -2.977 1.00 0.00 N ATOM 796 CA ILE A 53 -3.769 3.163 -2.417 1.00 0.00 C ATOM 797 C ILE A 53 -3.997 4.549 -3.022 1.00 0.00 C ATOM 798 O ILE A 53 -5.106 5.080 -2.974 1.00 0.00 O ATOM 799 CB ILE A 53 -3.794 3.220 -0.858 1.00 0.00 C ATOM 800 CG1 ILE A 53 -2.904 2.131 -0.255 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.225 3.065 -0.364 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.006 2.041 1.249 1.00 0.00 C ATOM 0 H ILE A 53 -1.812 2.382 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.596 2.510 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.404 4.187 -0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.175 1.168 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.867 2.324 -0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.240 3.105 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.838 3.872 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.623 2.107 -0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.350 1.250 1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.707 2.991 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.035 1.817 1.531 1.00 0.00 H new ATOM 814 N GLU A 54 -2.950 5.120 -3.618 1.00 0.00 N ATOM 815 CA GLU A 54 -3.053 6.429 -4.253 1.00 0.00 C ATOM 816 C GLU A 54 -3.600 6.311 -5.675 1.00 0.00 C ATOM 817 O GLU A 54 -4.365 7.161 -6.130 1.00 0.00 O ATOM 818 CB GLU A 54 -1.684 7.115 -4.287 1.00 0.00 C ATOM 819 CG GLU A 54 -1.717 8.505 -4.900 1.00 0.00 C ATOM 820 CD GLU A 54 -0.636 8.708 -5.943 1.00 0.00 C ATOM 821 OE1 GLU A 54 -0.251 7.717 -6.600 1.00 0.00 O ATOM 822 OE2 GLU A 54 -0.174 9.858 -6.104 1.00 0.00 O ATOM 0 H GLU A 54 -2.024 4.696 -3.673 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.745 7.030 -3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.296 7.184 -3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.989 6.494 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.693 8.674 -5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.600 9.249 -4.112 1.00 0.00 H new ATOM 829 N ASP A 55 -3.189 5.259 -6.377 1.00 0.00 N ATOM 830 CA ASP A 55 -3.605 5.047 -7.761 1.00 0.00 C ATOM 831 C ASP A 55 -4.995 4.423 -7.849 1.00 0.00 C ATOM 832 O ASP A 55 -5.788 4.774 -8.723 1.00 0.00 O ATOM 833 CB ASP A 55 -2.593 4.154 -8.482 1.00 0.00 C ATOM 834 CG ASP A 55 -1.505 4.953 -9.172 1.00 0.00 C ATOM 835 OD1 ASP A 55 -1.693 5.314 -10.353 1.00 0.00 O ATOM 836 OD2 ASP A 55 -0.466 5.219 -8.531 1.00 0.00 O ATOM 0 H ASP A 55 -2.567 4.539 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.646 6.024 -8.244 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.139 3.471 -7.764 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.113 3.542 -9.219 1.00 0.00 H new ATOM 841 N GLN A 56 -5.285 3.490 -6.948 1.00 0.00 N ATOM 842 CA GLN A 56 -6.575 2.809 -6.944 1.00 0.00 C ATOM 843 C GLN A 56 -7.731 3.805 -6.867 1.00 0.00 C ATOM 844 O GLN A 56 -8.864 3.483 -7.225 1.00 0.00 O ATOM 845 CB GLN A 56 -6.653 1.834 -5.766 1.00 0.00 C ATOM 846 CG GLN A 56 -5.876 0.546 -5.987 1.00 0.00 C ATOM 847 CD GLN A 56 -6.356 -0.228 -7.200 1.00 0.00 C ATOM 848 OE1 GLN A 56 -7.539 -0.202 -7.539 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.437 -0.926 -7.859 1.00 0.00 N ATOM 0 H GLN A 56 -4.646 3.189 -6.213 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.663 2.257 -7.880 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.274 2.328 -4.871 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.698 1.590 -5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.818 0.781 -6.106 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.965 -0.083 -5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.467 -0.919 -7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.701 -1.469 -8.681 1.00 0.00 H new ATOM 858 N GLY A 57 -7.436 5.017 -6.406 1.00 0.00 N ATOM 859 CA GLY A 57 -8.465 6.033 -6.279 1.00 0.00 C ATOM 860 C GLY A 57 -8.556 6.571 -4.867 1.00 0.00 C ATOM 861 O GLY A 57 -9.002 7.697 -4.648 1.00 0.00 O ATOM 0 H GLY A 57 -6.503 5.313 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.253 6.852 -6.967 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.428 5.613 -6.570 1.00 0.00 H new ATOM 865 N GLY A 58 -8.127 5.759 -3.908 1.00 0.00 N ATOM 866 CA GLY A 58 -8.159 6.167 -2.519 1.00 0.00 C ATOM 867 C GLY A 58 -8.511 5.028 -1.589 1.00 0.00 C ATOM 868 O GLY A 58 -9.265 4.129 -1.950 1.00 0.00 O ATOM 0 H GLY A 58 -7.757 4.823 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.186 6.572 -2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.886 6.970 -2.396 1.00 0.00 H new ATOM 872 N LEU A 59 -7.954 5.070 -0.389 1.00 0.00 N ATOM 873 CA LEU A 59 -8.184 4.037 0.612 1.00 0.00 C ATOM 874 C LEU A 59 -9.669 3.909 0.945 1.00 0.00 C ATOM 875 O LEU A 59 -10.254 2.833 0.815 1.00 0.00 O ATOM 876 CB LEU A 59 -7.398 4.419 1.859 1.00 0.00 C ATOM 877 CG LEU A 59 -7.865 3.802 3.175 1.00 0.00 C ATOM 878 CD1 LEU A 59 -6.686 3.604 4.115 1.00 0.00 C ATOM 879 CD2 LEU A 59 -8.922 4.689 3.813 1.00 0.00 C ATOM 0 H LEU A 59 -7.332 5.817 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.855 3.072 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.355 4.142 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.427 5.504 1.962 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.305 2.825 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.035 3.163 5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.958 2.939 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.219 4.567 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.252 4.244 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.500 5.675 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.773 4.784 3.138 1.00 0.00 H new ATOM 891 N GLU A 60 -10.281 5.020 1.341 1.00 0.00 N ATOM 892 CA GLU A 60 -11.708 5.039 1.629 1.00 0.00 C ATOM 893 C GLU A 60 -12.466 5.017 0.316 1.00 0.00 C ATOM 894 O GLU A 60 -13.521 4.396 0.190 1.00 0.00 O ATOM 895 CB GLU A 60 -12.083 6.282 2.439 1.00 0.00 C ATOM 896 CG GLU A 60 -11.803 7.587 1.714 1.00 0.00 C ATOM 897 CD GLU A 60 -12.216 8.802 2.522 1.00 0.00 C ATOM 898 OE1 GLU A 60 -13.423 9.124 2.535 1.00 0.00 O ATOM 899 OE2 GLU A 60 -11.334 9.432 3.142 1.00 0.00 O ATOM 0 H GLU A 60 -9.811 5.916 1.469 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.970 4.165 2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.143 6.236 2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.532 6.273 3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.739 7.651 1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.334 7.591 0.762 1.00 0.00 H new ATOM 906 N ALA A 61 -11.873 5.668 -0.674 1.00 0.00 N ATOM 907 CA ALA A 61 -12.405 5.695 -2.018 1.00 0.00 C ATOM 908 C ALA A 61 -12.529 4.272 -2.559 1.00 0.00 C ATOM 909 O ALA A 61 -13.399 3.978 -3.377 1.00 0.00 O ATOM 910 CB ALA A 61 -11.494 6.546 -2.887 1.00 0.00 C ATOM 0 H ALA A 61 -11.006 6.193 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.403 6.134 -2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.884 6.575 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.451 7.559 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.493 6.116 -2.895 1.00 0.00 H new ATOM 916 N VAL A 62 -11.666 3.387 -2.057 1.00 0.00 N ATOM 917 CA VAL A 62 -11.698 1.977 -2.429 1.00 0.00 C ATOM 918 C VAL A 62 -12.838 1.279 -1.688 1.00 0.00 C ATOM 919 O VAL A 62 -13.560 0.465 -2.262 1.00 0.00 O ATOM 920 CB VAL A 62 -10.343 1.283 -2.119 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.462 -0.240 -2.125 1.00 0.00 C ATOM 922 CG2 VAL A 62 -9.282 1.732 -3.112 1.00 0.00 C ATOM 0 H VAL A 62 -10.934 3.627 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.867 1.905 -3.503 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.047 1.582 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.490 -0.682 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.183 -0.552 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.798 -0.575 -3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.338 1.238 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.594 1.468 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.153 2.812 -3.043 1.00 0.00 H new ATOM 932 N ARG A 63 -13.000 1.621 -0.412 1.00 0.00 N ATOM 933 CA ARG A 63 -14.065 1.053 0.400 1.00 0.00 C ATOM 934 C ARG A 63 -15.405 1.207 -0.306 1.00 0.00 C ATOM 935 O ARG A 63 -16.251 0.314 -0.259 1.00 0.00 O ATOM 936 CB ARG A 63 -14.112 1.736 1.768 1.00 0.00 C ATOM 937 CG ARG A 63 -15.290 1.302 2.622 1.00 0.00 C ATOM 938 CD ARG A 63 -15.031 1.546 4.099 1.00 0.00 C ATOM 939 NE ARG A 63 -16.268 1.597 4.872 1.00 0.00 N ATOM 940 CZ ARG A 63 -17.137 2.600 4.805 1.00 0.00 C ATOM 941 NH1 ARG A 63 -16.903 3.631 4.005 1.00 0.00 N ATOM 942 NH2 ARG A 63 -18.241 2.575 5.540 1.00 0.00 N ATOM 0 H ARG A 63 -12.406 2.289 0.079 1.00 0.00 H new ATOM 0 HA ARG A 63 -13.863 -0.008 0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.187 1.523 2.304 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -14.156 2.816 1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -16.183 1.846 2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -15.489 0.243 2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -14.392 0.754 4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -14.488 2.483 4.222 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.477 0.820 5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -16.055 3.655 3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -17.571 4.400 3.955 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -18.424 1.785 6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -18.907 3.346 5.487 1.00 0.00 H new ATOM 956 N GLN A 64 -15.581 2.339 -0.980 1.00 0.00 N ATOM 957 CA GLN A 64 -16.803 2.597 -1.728 1.00 0.00 C ATOM 958 C GLN A 64 -16.903 1.652 -2.919 1.00 0.00 C ATOM 959 O GLN A 64 -17.999 1.313 -3.370 1.00 0.00 O ATOM 960 CB GLN A 64 -16.837 4.050 -2.208 1.00 0.00 C ATOM 961 CG GLN A 64 -17.547 4.994 -1.251 1.00 0.00 C ATOM 962 CD GLN A 64 -16.836 5.115 0.082 1.00 0.00 C ATOM 963 OE1 GLN A 64 -17.224 4.485 1.066 1.00 0.00 O ATOM 964 NE2 GLN A 64 -15.789 5.931 0.121 1.00 0.00 N ATOM 0 H GLN A 64 -14.893 3.091 -1.023 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.654 2.425 -1.069 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.815 4.398 -2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.332 4.091 -3.178 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -17.623 5.980 -1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -18.565 4.640 -1.085 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.502 6.433 -0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.271 6.055 0.991 1.00 0.00 H new ATOM 973 N GLU A 65 -15.748 1.221 -3.418 1.00 0.00 N ATOM 974 CA GLU A 65 -15.691 0.303 -4.549 1.00 0.00 C ATOM 975 C GLU A 65 -15.825 -1.141 -4.079 1.00 0.00 C ATOM 976 O GLU A 65 -16.671 -1.889 -4.571 1.00 0.00 O ATOM 977 CB GLU A 65 -14.374 0.487 -5.311 1.00 0.00 C ATOM 978 CG GLU A 65 -14.124 -0.571 -6.375 1.00 0.00 C ATOM 979 CD GLU A 65 -13.995 0.020 -7.765 1.00 0.00 C ATOM 980 OE1 GLU A 65 -13.354 1.083 -7.901 1.00 0.00 O ATOM 981 OE2 GLU A 65 -14.536 -0.580 -8.718 1.00 0.00 O ATOM 0 H GLU A 65 -14.835 1.495 -3.054 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.523 0.527 -5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -14.373 1.470 -5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.549 0.474 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.214 -1.119 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.942 -1.292 -6.365 1.00 0.00 H new ATOM 988 N MET A 66 -14.987 -1.526 -3.123 1.00 0.00 N ATOM 989 CA MET A 66 -15.015 -2.880 -2.584 1.00 0.00 C ATOM 990 C MET A 66 -16.430 -3.273 -2.172 1.00 0.00 C ATOM 991 O MET A 66 -16.778 -4.454 -2.159 1.00 0.00 O ATOM 992 CB MET A 66 -14.075 -2.989 -1.381 1.00 0.00 C ATOM 993 CG MET A 66 -13.015 -4.068 -1.533 1.00 0.00 C ATOM 994 SD MET A 66 -12.807 -5.052 -0.038 1.00 0.00 S ATOM 995 CE MET A 66 -11.041 -5.344 -0.067 1.00 0.00 C ATOM 0 H MET A 66 -14.281 -0.920 -2.706 1.00 0.00 H new ATOM 0 HA MET A 66 -14.680 -3.563 -3.365 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.584 -2.028 -1.226 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.664 -3.194 -0.487 1.00 0.00 H new ATOM 0 HG2 MET A 66 -13.286 -4.724 -2.360 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.064 -3.603 -1.793 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.757 -5.942 0.799 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.775 -5.877 -0.980 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.514 -4.390 -0.037 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.578 -6.601 -6.836 1.00 0.00 N ATOM 1182 CA LEU A 81 -8.036 -5.367 -6.273 1.00 0.00 C ATOM 1183 C LEU A 81 -6.919 -5.657 -5.274 1.00 0.00 C ATOM 1184 O LEU A 81 -5.832 -5.084 -5.362 1.00 0.00 O ATOM 1185 CB LEU A 81 -9.153 -4.565 -5.598 1.00 0.00 C ATOM 1186 CG LEU A 81 -8.685 -3.396 -4.731 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -7.637 -2.572 -5.463 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -9.867 -2.523 -4.332 1.00 0.00 C ATOM 0 HA LEU A 81 -7.613 -4.780 -7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.819 -4.180 -6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.741 -5.242 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.232 -3.800 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.317 -1.745 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.779 -3.201 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.063 -2.178 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.516 -1.696 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.348 -2.130 -5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.584 -3.118 -3.767 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.193 -6.539 -4.320 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.184 -6.916 -3.326 1.00 0.00 C ATOM 1202 C VAL A 82 -5.177 -7.877 -3.960 1.00 0.00 C ATOM 1203 O VAL A 82 -3.985 -7.839 -3.654 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.788 -7.481 -2.001 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -8.219 -7.904 -2.188 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -5.954 -8.606 -1.396 1.00 0.00 C ATOM 0 H VAL A 82 -8.094 -7.005 -4.210 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.666 -6.006 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.765 -6.662 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.609 -8.292 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.814 -7.046 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.272 -8.680 -2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.426 -8.956 -0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.886 -9.430 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.953 -8.237 -1.172 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.667 -8.714 -4.862 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.798 -9.643 -5.559 1.00 0.00 C ATOM 1218 C GLY A 83 -3.771 -8.920 -6.409 1.00 0.00 C ATOM 1219 O GLY A 83 -2.709 -9.463 -6.710 1.00 0.00 O ATOM 0 H GLY A 83 -6.651 -8.768 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.289 -10.278 -4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.398 -10.298 -6.191 1.00 0.00 H new ATOM 1223 N ALA A 84 -4.091 -7.686 -6.788 1.00 0.00 N ATOM 1224 CA ALA A 84 -3.189 -6.870 -7.590 1.00 0.00 C ATOM 1225 C ALA A 84 -2.063 -6.311 -6.727 1.00 0.00 C ATOM 1226 O ALA A 84 -0.931 -6.159 -7.183 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.957 -5.742 -8.263 1.00 0.00 C ATOM 0 H ALA A 84 -4.972 -7.229 -6.551 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.747 -7.498 -8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.271 -5.140 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.727 -6.162 -8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.423 -5.115 -7.503 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.385 -6.017 -5.472 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.403 -5.494 -4.531 1.00 0.00 C ATOM 1235 C LEU A 85 -0.300 -6.520 -4.283 1.00 0.00 C ATOM 1236 O LEU A 85 0.869 -6.168 -4.145 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.088 -5.121 -3.210 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.157 -4.926 -2.005 1.00 0.00 C ATOM 1239 CD1 LEU A 85 0.121 -4.214 -2.417 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -1.866 -4.156 -0.900 1.00 0.00 C ATOM 0 H LEU A 85 -3.321 -6.133 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.951 -4.600 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.651 -4.200 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.810 -5.900 -2.965 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.888 -5.910 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.764 -4.088 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.641 -4.807 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.125 -3.236 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.190 -4.028 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.168 -3.178 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.748 -4.710 -0.579 1.00 0.00 H new ATOM 1252 N MET A 86 -0.681 -7.791 -4.241 1.00 0.00 N ATOM 1253 CA MET A 86 0.278 -8.866 -4.025 1.00 0.00 C ATOM 1254 C MET A 86 1.424 -8.784 -5.029 1.00 0.00 C ATOM 1255 O MET A 86 2.516 -9.298 -4.783 1.00 0.00 O ATOM 1256 CB MET A 86 -0.419 -10.224 -4.139 1.00 0.00 C ATOM 1257 CG MET A 86 -1.511 -10.433 -3.103 1.00 0.00 C ATOM 1258 SD MET A 86 -2.105 -12.134 -3.052 1.00 0.00 S ATOM 1259 CE MET A 86 -3.848 -11.872 -2.728 1.00 0.00 C ATOM 0 H MET A 86 -1.646 -8.102 -4.354 1.00 0.00 H new ATOM 0 HA MET A 86 0.691 -8.757 -3.022 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.851 -10.319 -5.135 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.324 -11.015 -4.037 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.131 -10.155 -2.120 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.346 -9.767 -3.322 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.144 -12.443 -1.848 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.030 -10.812 -2.551 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.431 -12.201 -3.588 1.00 0.00 H new ATOM 1269 N HIS A 87 1.172 -8.130 -6.159 1.00 0.00 N ATOM 1270 CA HIS A 87 2.177 -7.992 -7.205 1.00 0.00 C ATOM 1271 C HIS A 87 3.168 -6.875 -6.882 1.00 0.00 C ATOM 1272 O HIS A 87 4.378 -7.049 -7.031 1.00 0.00 O ATOM 1273 CB HIS A 87 1.503 -7.713 -8.550 1.00 0.00 C ATOM 1274 CG HIS A 87 1.206 -8.950 -9.338 1.00 0.00 C ATOM 1275 ND1 HIS A 87 0.683 -8.922 -10.614 1.00 0.00 N ATOM 1276 CD2 HIS A 87 1.361 -10.258 -9.026 1.00 0.00 C ATOM 1277 CE1 HIS A 87 0.529 -10.158 -11.052 1.00 0.00 C ATOM 1278 NE2 HIS A 87 0.933 -10.987 -10.107 1.00 0.00 N ATOM 0 H HIS A 87 0.278 -7.687 -6.373 1.00 0.00 H new ATOM 0 HA HIS A 87 2.729 -8.930 -7.263 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.573 -7.171 -8.376 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.146 -7.061 -9.141 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.749 -10.654 -8.099 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.139 -10.442 -12.018 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.928 -12.005 -10.170 1.00 0.00 H new ATOM 1287 N VAL A 88 2.651 -5.726 -6.454 1.00 0.00 N ATOM 1288 CA VAL A 88 3.503 -4.583 -6.137 1.00 0.00 C ATOM 1289 C VAL A 88 4.616 -4.980 -5.163 1.00 0.00 C ATOM 1290 O VAL A 88 5.687 -4.374 -5.146 1.00 0.00 O ATOM 1291 CB VAL A 88 2.678 -3.392 -5.574 1.00 0.00 C ATOM 1292 CG1 VAL A 88 2.460 -3.495 -4.067 1.00 0.00 C ATOM 1293 CG2 VAL A 88 3.350 -2.072 -5.926 1.00 0.00 C ATOM 0 H VAL A 88 1.653 -5.562 -6.319 1.00 0.00 H new ATOM 0 HA VAL A 88 3.965 -4.254 -7.068 1.00 0.00 H new ATOM 0 HB VAL A 88 1.694 -3.432 -6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.879 -2.639 -3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.921 -4.415 -3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.425 -3.505 -3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.762 -1.246 -5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.351 -2.047 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.419 -1.976 -7.010 1.00 0.00 H new ATOM 1303 N MET A 89 4.348 -6.000 -4.353 1.00 0.00 N ATOM 1304 CA MET A 89 5.319 -6.479 -3.377 1.00 0.00 C ATOM 1305 C MET A 89 6.427 -7.277 -4.056 1.00 0.00 C ATOM 1306 O MET A 89 7.555 -7.335 -3.566 1.00 0.00 O ATOM 1307 CB MET A 89 4.627 -7.343 -2.321 1.00 0.00 C ATOM 1308 CG MET A 89 4.133 -6.555 -1.118 1.00 0.00 C ATOM 1309 SD MET A 89 5.470 -6.052 -0.018 1.00 0.00 S ATOM 1310 CE MET A 89 5.067 -4.324 0.238 1.00 0.00 C ATOM 0 H MET A 89 3.465 -6.511 -4.354 1.00 0.00 H new ATOM 0 HA MET A 89 5.767 -5.612 -2.892 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.782 -7.856 -2.780 1.00 0.00 H new ATOM 0 HB3 MET A 89 5.321 -8.112 -1.981 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.600 -5.669 -1.463 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.418 -7.161 -0.561 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.885 -3.834 0.765 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.915 -3.839 -0.726 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.156 -4.247 0.831 1.00 0.00 H new ATOM 1320 N GLN A 90 6.097 -7.897 -5.185 1.00 0.00 N ATOM 1321 CA GLN A 90 7.066 -8.690 -5.933 1.00 0.00 C ATOM 1322 C GLN A 90 8.271 -7.844 -6.324 1.00 0.00 C ATOM 1323 O GLN A 90 9.400 -8.335 -6.371 1.00 0.00 O ATOM 1324 CB GLN A 90 6.416 -9.280 -7.185 1.00 0.00 C ATOM 1325 CG GLN A 90 5.109 -10.005 -6.909 1.00 0.00 C ATOM 1326 CD GLN A 90 5.284 -11.509 -6.823 1.00 0.00 C ATOM 1327 OE1 GLN A 90 5.187 -12.216 -7.826 1.00 0.00 O ATOM 1328 NE2 GLN A 90 5.543 -12.006 -5.619 1.00 0.00 N ATOM 0 H GLN A 90 5.166 -7.865 -5.602 1.00 0.00 H new ATOM 0 HA GLN A 90 7.406 -9.503 -5.292 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.233 -8.479 -7.901 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.114 -9.973 -7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.685 -9.638 -5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.394 -9.770 -7.698 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.615 -11.383 -4.815 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.670 -13.011 -5.499 1.00 0.00 H new ATOM 1337 N LYS A 91 8.024 -6.569 -6.603 1.00 0.00 N ATOM 1338 CA LYS A 91 9.088 -5.650 -6.989 1.00 0.00 C ATOM 1339 C LYS A 91 10.056 -5.423 -5.833 1.00 0.00 C ATOM 1340 O LYS A 91 11.272 -5.409 -6.022 1.00 0.00 O ATOM 1341 CB LYS A 91 8.494 -4.315 -7.443 1.00 0.00 C ATOM 1342 CG LYS A 91 8.841 -3.953 -8.878 1.00 0.00 C ATOM 1343 CD LYS A 91 8.255 -4.952 -9.863 1.00 0.00 C ATOM 1344 CE LYS A 91 6.875 -4.526 -10.335 1.00 0.00 C ATOM 1345 NZ LYS A 91 6.793 -4.450 -11.820 1.00 0.00 N ATOM 0 H LYS A 91 7.095 -6.148 -6.569 1.00 0.00 H new ATOM 0 HA LYS A 91 9.639 -6.096 -7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.410 -4.355 -7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.849 -3.525 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.465 -2.955 -9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.924 -3.919 -8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.920 -5.051 -10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.193 -5.934 -9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.131 -5.233 -9.966 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.630 -3.554 -9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.836 -4.156 -12.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.485 -3.757 -12.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.002 -5.384 -12.227 1.00 0.00 H new ATOM 1359 N ARG A 92 9.508 -5.248 -4.635 1.00 0.00 N ATOM 1360 CA ARG A 92 10.321 -5.019 -3.447 1.00 0.00 C ATOM 1361 C ARG A 92 11.072 -6.285 -3.045 1.00 0.00 C ATOM 1362 O ARG A 92 12.295 -6.273 -2.901 1.00 0.00 O ATOM 1363 CB ARG A 92 9.441 -4.548 -2.287 1.00 0.00 C ATOM 1364 CG ARG A 92 10.053 -3.414 -1.481 1.00 0.00 C ATOM 1365 CD ARG A 92 11.208 -3.902 -0.621 1.00 0.00 C ATOM 1366 NE ARG A 92 10.812 -4.103 0.770 1.00 0.00 N ATOM 1367 CZ ARG A 92 11.676 -4.283 1.763 1.00 0.00 C ATOM 1368 NH1 ARG A 92 12.979 -4.285 1.517 1.00 0.00 N ATOM 1369 NH2 ARG A 92 11.239 -4.460 3.003 1.00 0.00 N ATOM 0 H ARG A 92 8.503 -5.261 -4.461 1.00 0.00 H new ATOM 0 HA ARG A 92 11.051 -4.245 -3.682 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.478 -4.224 -2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.247 -5.391 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.405 -2.635 -2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.290 -2.964 -0.846 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.591 -4.838 -1.027 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.022 -3.179 -0.665 1.00 0.00 H new ATOM 0 HE ARG A 92 9.816 -4.105 0.992 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.318 -4.148 0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.642 -4.423 2.280 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.237 -4.458 3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.905 -4.598 3.763 1.00 0.00 H new ATOM 1383 N SER A 93 10.333 -7.372 -2.860 1.00 0.00 N ATOM 1384 CA SER A 93 10.927 -8.645 -2.467 1.00 0.00 C ATOM 1385 C SER A 93 12.111 -8.997 -3.362 1.00 0.00 C ATOM 1386 O SER A 93 13.222 -9.221 -2.880 1.00 0.00 O ATOM 1387 CB SER A 93 9.881 -9.760 -2.529 1.00 0.00 C ATOM 1388 OG SER A 93 9.243 -9.932 -1.275 1.00 0.00 O ATOM 0 H SER A 93 9.320 -7.398 -2.976 1.00 0.00 H new ATOM 0 HA SER A 93 11.286 -8.546 -1.443 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.137 -9.523 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.357 -10.693 -2.829 1.00 0.00 H new ATOM 0 HG SER A 93 8.578 -10.649 -1.342 1.00 0.00 H new