USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 578 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 30 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.347 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0732 K(o=-0.073,f=-1.9!) USER MOD Single : A 18 LYS NZ :NH3+ -159:sc= 0.0495 (180deg=0.00119) USER MOD Single : A 31 ASN : amide:sc= -4.65! C(o=-4.6!,f=-6.7!) USER MOD Single : A 38 ASN : amide:sc=-0.00434 X(o=-0.0043,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.839 X(o=-0.84,f=-0.59) USER MOD Single : A 56 SER OG : rot -85:sc= 0.575 USER MOD Single : A 57 HIS : no HD1:sc= -0.695 X(o=-0.7,f=-0.33) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.091 USER MOD Single : A 63 HIS : no HE2:sc= -3.34! C(o=-3.3!,f=-3.4!) USER MOD Single : A 64 GLN : amide:sc= -0.19 K(o=-0.19,f=-2.3!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 45:sc= 0.096 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0106) USER MOD ----------------------------------------------------------------- ATOM 124 N TYR A 11 11.717 4.485 -4.553 1.00 0.00 N ATOM 125 CA TYR A 11 11.401 4.534 -3.136 1.00 0.00 C ATOM 126 C TYR A 11 10.554 5.764 -2.805 1.00 0.00 C ATOM 127 O TYR A 11 10.443 6.682 -3.616 1.00 0.00 O ATOM 128 CB TYR A 11 12.743 4.643 -2.408 1.00 0.00 C ATOM 129 CG TYR A 11 13.531 3.333 -2.358 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.896 2.158 -2.008 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.877 3.325 -2.662 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.638 0.925 -1.960 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.619 2.092 -2.615 1.00 0.00 C ATOM 134 CZ TYR A 11 14.963 0.953 -2.266 1.00 0.00 C ATOM 135 OH TYR A 11 15.664 -0.212 -2.221 1.00 0.00 O ATOM 0 HA TYR A 11 10.834 3.652 -2.839 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.351 5.402 -2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.565 4.987 -1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.843 2.164 -1.770 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.374 4.244 -2.935 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.154 -0.001 -1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.673 2.072 -2.852 1.00 0.00 H new ATOM 0 HH TYR A 11 16.598 -0.041 -2.464 1.00 0.00 H new ATOM 145 N LYS A 12 9.978 5.744 -1.612 1.00 0.00 N ATOM 146 CA LYS A 12 9.144 6.846 -1.164 1.00 0.00 C ATOM 147 C LYS A 12 8.264 7.318 -2.323 1.00 0.00 C ATOM 148 O LYS A 12 8.389 8.452 -2.781 1.00 0.00 O ATOM 149 CB LYS A 12 10.004 7.955 -0.555 1.00 0.00 C ATOM 150 CG LYS A 12 10.485 7.569 0.846 1.00 0.00 C ATOM 151 CD LYS A 12 10.162 8.669 1.859 1.00 0.00 C ATOM 152 CE LYS A 12 10.957 9.941 1.558 1.00 0.00 C ATOM 153 NZ LYS A 12 11.841 10.281 2.695 1.00 0.00 N ATOM 0 H LYS A 12 10.073 4.981 -0.941 1.00 0.00 H new ATOM 0 HA LYS A 12 8.475 6.518 -0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.863 8.149 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.429 8.880 -0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.011 6.637 1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.560 7.390 0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.095 8.889 1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.393 8.321 2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.553 9.800 0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.273 10.767 1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.373 11.147 2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.266 10.436 3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.506 9.499 2.864 1.00 0.00 H new ATOM 167 N GLN A 13 7.392 6.422 -2.765 1.00 0.00 N ATOM 168 CA GLN A 13 6.491 6.733 -3.861 1.00 0.00 C ATOM 169 C GLN A 13 5.129 6.074 -3.632 1.00 0.00 C ATOM 170 O GLN A 13 5.051 4.871 -3.388 1.00 0.00 O ATOM 171 CB GLN A 13 7.090 6.302 -5.202 1.00 0.00 C ATOM 172 CG GLN A 13 6.048 6.382 -6.319 1.00 0.00 C ATOM 173 CD GLN A 13 6.720 6.465 -7.691 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.905 6.727 -7.815 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.900 6.227 -8.711 1.00 0.00 N ATOM 0 H GLN A 13 7.291 5.481 -2.384 1.00 0.00 H new ATOM 0 HA GLN A 13 6.349 7.813 -3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.940 6.939 -5.446 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.468 5.283 -5.125 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.400 5.506 -6.280 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.414 7.255 -6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.918 6.014 -8.537 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.253 6.258 -9.667 1.00 0.00 H new ATOM 184 N ILE A 14 4.090 6.891 -3.718 1.00 0.00 N ATOM 185 CA ILE A 14 2.736 6.403 -3.523 1.00 0.00 C ATOM 186 C ILE A 14 2.275 5.671 -4.785 1.00 0.00 C ATOM 187 O ILE A 14 2.416 6.187 -5.893 1.00 0.00 O ATOM 188 CB ILE A 14 1.809 7.546 -3.103 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.418 8.351 -1.953 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.413 7.023 -2.760 1.00 0.00 C ATOM 191 CD1 ILE A 14 1.940 7.822 -0.600 1.00 0.00 C ATOM 0 H ILE A 14 4.159 7.888 -3.920 1.00 0.00 H new ATOM 0 HA ILE A 14 2.706 5.682 -2.706 1.00 0.00 H new ATOM 0 HB ILE A 14 1.699 8.225 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.506 8.299 -2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.144 9.401 -2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.225 7.856 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.015 6.529 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.483 6.311 -1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.388 8.412 0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.854 7.898 -0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.237 6.779 -0.492 1.00 0.00 H new ATOM 203 N VAL A 15 1.735 4.480 -4.576 1.00 0.00 N ATOM 204 CA VAL A 15 1.253 3.671 -5.683 1.00 0.00 C ATOM 205 C VAL A 15 0.056 2.839 -5.218 1.00 0.00 C ATOM 206 O VAL A 15 -0.248 2.794 -4.027 1.00 0.00 O ATOM 207 CB VAL A 15 2.393 2.817 -6.242 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.271 3.631 -7.195 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.227 2.209 -5.113 1.00 0.00 C ATOM 0 H VAL A 15 1.620 4.055 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 15 0.910 4.307 -6.499 1.00 0.00 H new ATOM 0 HB VAL A 15 1.951 1.998 -6.810 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.074 3.001 -7.578 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.666 3.994 -8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.699 4.479 -6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.030 1.607 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.654 3.007 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.592 1.579 -4.490 1.00 0.00 H new ATOM 219 N TRP A 16 -0.591 2.202 -6.183 1.00 0.00 N ATOM 220 CA TRP A 16 -1.749 1.375 -5.887 1.00 0.00 C ATOM 221 C TRP A 16 -1.301 -0.088 -5.904 1.00 0.00 C ATOM 222 O TRP A 16 -0.928 -0.615 -6.952 1.00 0.00 O ATOM 223 CB TRP A 16 -2.891 1.662 -6.864 1.00 0.00 C ATOM 224 CG TRP A 16 -3.634 2.970 -6.586 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.449 4.163 -7.166 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.694 3.170 -5.627 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.309 5.114 -6.655 1.00 0.00 N ATOM 228 CE2 TRP A 16 -5.090 4.490 -5.689 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.299 2.264 -4.738 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.106 5.024 -4.887 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.312 2.814 -3.943 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.722 4.141 -3.993 1.00 0.00 C ATOM 0 H TRP A 16 -0.336 2.242 -7.170 1.00 0.00 H new ATOM 0 HA TRP A 16 -2.146 1.606 -4.899 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.490 1.692 -7.877 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.603 0.837 -6.828 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.718 4.357 -7.937 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.362 6.094 -6.934 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.006 1.227 -4.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.398 6.061 -4.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.810 2.161 -3.241 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.513 4.489 -3.345 1.00 0.00 H new ATOM 243 N VAL A 17 -1.352 -0.703 -4.732 1.00 0.00 N ATOM 244 CA VAL A 17 -0.956 -2.095 -4.599 1.00 0.00 C ATOM 245 C VAL A 17 -2.062 -2.991 -5.159 1.00 0.00 C ATOM 246 O VAL A 17 -3.239 -2.787 -4.866 1.00 0.00 O ATOM 247 CB VAL A 17 -0.616 -2.405 -3.140 1.00 0.00 C ATOM 248 CG1 VAL A 17 -1.504 -3.527 -2.597 1.00 0.00 C ATOM 249 CG2 VAL A 17 0.865 -2.754 -2.984 1.00 0.00 C ATOM 0 H VAL A 17 -1.662 -0.263 -3.865 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.054 -2.293 -5.178 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.812 -1.508 -2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.242 -3.728 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.549 -3.224 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.354 -4.429 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.080 -2.970 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.098 -3.629 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.474 -1.912 -3.313 1.00 0.00 H new ATOM 259 N LYS A 18 -1.645 -3.965 -5.955 1.00 0.00 N ATOM 260 CA LYS A 18 -2.586 -4.893 -6.558 1.00 0.00 C ATOM 261 C LYS A 18 -2.754 -6.108 -5.645 1.00 0.00 C ATOM 262 O LYS A 18 -1.774 -6.760 -5.286 1.00 0.00 O ATOM 263 CB LYS A 18 -2.150 -5.248 -7.981 1.00 0.00 C ATOM 264 CG LYS A 18 -2.998 -6.390 -8.546 1.00 0.00 C ATOM 265 CD LYS A 18 -3.805 -5.925 -9.759 1.00 0.00 C ATOM 266 CE LYS A 18 -4.679 -7.057 -10.303 1.00 0.00 C ATOM 267 NZ LYS A 18 -5.207 -6.708 -11.641 1.00 0.00 N ATOM 0 H LYS A 18 -0.668 -4.131 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.568 -4.430 -6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.241 -4.371 -8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.099 -5.536 -7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.352 -7.221 -8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.674 -6.761 -7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.432 -5.078 -9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.128 -5.577 -10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.097 -7.976 -10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.505 -7.248 -9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.049 -7.284 -11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.464 -5.700 -11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.480 -6.894 -12.361 1.00 0.00 H new ATOM 366 N TRP A 24 -8.489 -2.665 -5.106 1.00 0.00 N ATOM 367 CA TRP A 24 -7.095 -2.253 -5.090 1.00 0.00 C ATOM 368 C TRP A 24 -6.814 -1.590 -3.740 1.00 0.00 C ATOM 369 O TRP A 24 -7.677 -0.911 -3.186 1.00 0.00 O ATOM 370 CB TRP A 24 -6.779 -1.345 -6.280 1.00 0.00 C ATOM 371 CG TRP A 24 -6.823 -2.055 -7.634 1.00 0.00 C ATOM 372 CD1 TRP A 24 -7.876 -2.632 -8.229 1.00 0.00 C ATOM 373 CD2 TRP A 24 -5.719 -2.241 -8.544 1.00 0.00 C ATOM 374 NE1 TRP A 24 -7.533 -3.174 -9.451 1.00 0.00 N ATOM 375 CE2 TRP A 24 -6.179 -2.929 -9.648 1.00 0.00 C ATOM 376 CE3 TRP A 24 -4.375 -1.841 -8.438 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -5.361 -3.277 -10.730 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -3.571 -2.197 -9.527 1.00 0.00 C ATOM 379 CH2 TRP A 24 -4.019 -2.889 -10.646 1.00 0.00 C ATOM 0 HA TRP A 24 -6.436 -3.114 -5.198 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -7.489 -0.518 -6.292 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.788 -0.912 -6.140 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.869 -2.668 -7.805 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -8.158 -3.664 -10.091 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.993 -1.302 -7.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.745 -3.816 -11.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.529 -1.914 -9.496 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.335 -3.126 -11.447 1.00 0.00 H new ATOM 390 N TRP A 25 -5.603 -1.810 -3.250 1.00 0.00 N ATOM 391 CA TRP A 25 -5.196 -1.243 -1.976 1.00 0.00 C ATOM 392 C TRP A 25 -4.016 -0.303 -2.232 1.00 0.00 C ATOM 393 O TRP A 25 -3.066 -0.668 -2.922 1.00 0.00 O ATOM 394 CB TRP A 25 -4.876 -2.343 -0.963 1.00 0.00 C ATOM 395 CG TRP A 25 -4.990 -1.898 0.497 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.051 -1.322 1.259 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.152 -2.017 1.343 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.521 -1.062 2.531 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.840 -1.498 2.583 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.426 -2.546 1.071 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.747 -1.457 3.648 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.322 -2.497 2.145 1.00 0.00 C ATOM 403 CH2 TRP A 25 -8.023 -1.978 3.400 1.00 0.00 C ATOM 0 H TRP A 25 -4.890 -2.374 -3.713 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.009 -0.668 -1.533 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.550 -3.183 -1.130 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -3.864 -2.706 -1.144 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.052 -1.090 0.921 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.997 -0.630 3.292 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.692 -2.958 0.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.477 -1.046 4.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.316 -2.890 1.988 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.771 -1.977 4.179 1.00 0.00 H new ATOM 414 N PRO A 26 -4.118 0.920 -1.646 1.00 0.00 N ATOM 415 CA PRO A 26 -3.071 1.915 -1.803 1.00 0.00 C ATOM 416 C PRO A 26 -1.851 1.567 -0.946 1.00 0.00 C ATOM 417 O PRO A 26 -1.985 0.950 0.109 1.00 0.00 O ATOM 418 CB PRO A 26 -3.717 3.233 -1.409 1.00 0.00 C ATOM 419 CG PRO A 26 -4.954 2.866 -0.606 1.00 0.00 C ATOM 420 CD PRO A 26 -5.229 1.387 -0.821 1.00 0.00 C ATOM 0 HA PRO A 26 -2.688 1.964 -2.822 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.033 3.842 -0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.982 3.817 -2.290 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.798 3.075 0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.808 3.463 -0.926 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.272 0.850 0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.186 1.230 -1.319 1.00 0.00 H new ATOM 428 N ALA A 27 -0.690 1.979 -1.433 1.00 0.00 N ATOM 429 CA ALA A 27 0.552 1.719 -0.725 1.00 0.00 C ATOM 430 C ALA A 27 1.650 2.631 -1.277 1.00 0.00 C ATOM 431 O ALA A 27 1.497 3.212 -2.351 1.00 0.00 O ATOM 432 CB ALA A 27 0.910 0.236 -0.848 1.00 0.00 C ATOM 0 H ALA A 27 -0.583 2.491 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 27 0.442 1.941 0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.842 0.041 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.113 -0.368 -0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.031 -0.023 -1.900 1.00 0.00 H new ATOM 438 N GLU A 28 2.731 2.729 -0.518 1.00 0.00 N ATOM 439 CA GLU A 28 3.853 3.561 -0.918 1.00 0.00 C ATOM 440 C GLU A 28 5.165 2.788 -0.772 1.00 0.00 C ATOM 441 O GLU A 28 5.438 2.214 0.282 1.00 0.00 O ATOM 442 CB GLU A 28 3.889 4.859 -0.109 1.00 0.00 C ATOM 443 CG GLU A 28 5.257 5.535 -0.216 1.00 0.00 C ATOM 444 CD GLU A 28 6.007 5.470 1.116 1.00 0.00 C ATOM 445 OE1 GLU A 28 5.318 5.523 2.158 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.252 5.370 1.062 1.00 0.00 O ATOM 0 H GLU A 28 2.854 2.246 0.372 1.00 0.00 H new ATOM 0 HA GLU A 28 3.726 3.829 -1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.115 5.537 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.665 4.646 0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.847 5.049 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.130 6.575 -0.515 1.00 0.00 H new ATOM 453 N ILE A 29 5.943 2.798 -1.844 1.00 0.00 N ATOM 454 CA ILE A 29 7.220 2.105 -1.849 1.00 0.00 C ATOM 455 C ILE A 29 8.108 2.673 -0.739 1.00 0.00 C ATOM 456 O ILE A 29 8.195 3.888 -0.570 1.00 0.00 O ATOM 457 CB ILE A 29 7.858 2.166 -3.238 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.977 1.470 -4.277 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.278 1.595 -3.215 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.311 1.951 -5.690 1.00 0.00 C ATOM 0 H ILE A 29 5.714 3.275 -2.716 1.00 0.00 H new ATOM 0 HA ILE A 29 7.079 1.046 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 29 7.937 3.213 -3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 29 7.117 0.391 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.927 1.668 -4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.709 1.650 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.891 2.173 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.247 0.555 -2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.670 1.440 -6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.146 3.026 -5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.355 1.729 -5.913 1.00 0.00 H new ATOM 472 N CYS A 30 8.744 1.766 -0.012 1.00 0.00 N ATOM 473 CA CYS A 30 9.622 2.161 1.077 1.00 0.00 C ATOM 474 C CYS A 30 11.020 1.610 0.790 1.00 0.00 C ATOM 475 O CYS A 30 11.198 0.801 -0.119 1.00 0.00 O ATOM 476 CB CYS A 30 9.089 1.691 2.432 1.00 0.00 C ATOM 477 SG CYS A 30 9.089 3.082 3.621 1.00 0.00 S ATOM 0 H CYS A 30 8.669 0.759 -0.156 1.00 0.00 H new ATOM 0 HA CYS A 30 9.667 3.248 1.136 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.078 1.299 2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.706 0.877 2.812 1.00 0.00 H new ATOM 0 HG CYS A 30 8.633 2.673 4.767 1.00 0.00 H new ATOM 483 N ASN A 31 11.976 2.071 1.584 1.00 0.00 N ATOM 484 CA ASN A 31 13.353 1.634 1.427 1.00 0.00 C ATOM 485 C ASN A 31 13.618 0.451 2.361 1.00 0.00 C ATOM 486 O ASN A 31 12.919 0.274 3.357 1.00 0.00 O ATOM 487 CB ASN A 31 14.331 2.753 1.793 1.00 0.00 C ATOM 488 CG ASN A 31 14.020 4.030 1.009 1.00 0.00 C ATOM 489 OD1 ASN A 31 14.470 4.229 -0.107 1.00 0.00 O ATOM 490 ND2 ASN A 31 13.228 4.881 1.655 1.00 0.00 N ATOM 0 H ASN A 31 11.824 2.742 2.337 1.00 0.00 H new ATOM 0 HA ASN A 31 13.500 1.352 0.384 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.274 2.955 2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.351 2.432 1.583 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.962 5.763 1.217 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.886 4.652 2.588 1.00 0.00 H new ATOM 497 N PRO A 32 14.656 -0.348 1.996 1.00 0.00 N ATOM 498 CA PRO A 32 15.022 -1.509 2.789 1.00 0.00 C ATOM 499 C PRO A 32 15.748 -1.091 4.070 1.00 0.00 C ATOM 500 O PRO A 32 15.846 -1.872 5.015 1.00 0.00 O ATOM 501 CB PRO A 32 15.882 -2.359 1.869 1.00 0.00 C ATOM 502 CG PRO A 32 16.350 -1.431 0.760 1.00 0.00 C ATOM 503 CD PRO A 32 15.506 -0.168 0.823 1.00 0.00 C ATOM 0 HA PRO A 32 14.155 -2.073 3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.730 -2.782 2.408 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.312 -3.195 1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.406 -1.191 0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.244 -1.913 -0.212 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.130 0.721 0.919 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.911 -0.044 -0.082 1.00 0.00 H new ATOM 511 N ARG A 33 16.239 0.140 4.059 1.00 0.00 N ATOM 512 CA ARG A 33 16.953 0.670 5.207 1.00 0.00 C ATOM 513 C ARG A 33 15.967 1.235 6.232 1.00 0.00 C ATOM 514 O ARG A 33 16.270 1.296 7.422 1.00 0.00 O ATOM 515 CB ARG A 33 17.929 1.772 4.788 1.00 0.00 C ATOM 516 CG ARG A 33 19.059 1.205 3.926 1.00 0.00 C ATOM 517 CD ARG A 33 20.160 0.596 4.797 1.00 0.00 C ATOM 518 NE ARG A 33 21.302 0.182 3.952 1.00 0.00 N ATOM 519 CZ ARG A 33 22.497 -0.188 4.433 1.00 0.00 C ATOM 520 NH1 ARG A 33 22.714 -0.197 5.755 1.00 0.00 N ATOM 521 NH2 ARG A 33 23.476 -0.548 3.591 1.00 0.00 N ATOM 0 H ARG A 33 16.156 0.785 3.273 1.00 0.00 H new ATOM 0 HA ARG A 33 17.517 -0.149 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.395 2.544 4.233 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.347 2.249 5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.662 0.446 3.252 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.478 1.996 3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.491 1.322 5.540 1.00 0.00 H new ATOM 0 HD3 ARG A 33 19.770 -0.263 5.343 1.00 0.00 H new ATOM 0 HE ARG A 33 21.172 0.178 2.940 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.970 0.078 6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.624 -0.479 6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.311 -0.540 2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.386 -0.830 3.957 1.00 0.00 H new ATOM 535 N SER A 34 14.807 1.634 5.731 1.00 0.00 N ATOM 536 CA SER A 34 13.774 2.192 6.587 1.00 0.00 C ATOM 537 C SER A 34 13.015 1.066 7.292 1.00 0.00 C ATOM 538 O SER A 34 13.093 0.928 8.512 1.00 0.00 O ATOM 539 CB SER A 34 12.806 3.065 5.786 1.00 0.00 C ATOM 540 OG SER A 34 11.619 3.357 6.519 1.00 0.00 O ATOM 0 H SER A 34 14.560 1.582 4.743 1.00 0.00 H new ATOM 0 HA SER A 34 14.254 2.823 7.335 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.301 3.997 5.511 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.543 2.558 4.858 1.00 0.00 H new ATOM 0 HG SER A 34 11.028 3.918 5.974 1.00 0.00 H new ATOM 546 N VAL A 35 12.297 0.289 6.494 1.00 0.00 N ATOM 547 CA VAL A 35 11.524 -0.820 7.025 1.00 0.00 C ATOM 548 C VAL A 35 12.345 -1.541 8.096 1.00 0.00 C ATOM 549 O VAL A 35 13.571 -1.442 8.115 1.00 0.00 O ATOM 550 CB VAL A 35 11.082 -1.743 5.888 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.355 -0.957 4.795 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.273 -2.511 5.312 1.00 0.00 C ATOM 0 H VAL A 35 12.235 0.406 5.483 1.00 0.00 H new ATOM 0 HA VAL A 35 10.614 -0.457 7.502 1.00 0.00 H new ATOM 0 HB VAL A 35 10.382 -2.470 6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.052 -1.637 3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.473 -0.477 5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.022 -0.197 4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.932 -3.160 4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.008 -1.805 4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.729 -3.116 6.096 1.00 0.00 H new ATOM 562 N PRO A 36 11.617 -2.270 8.985 1.00 0.00 N ATOM 563 CA PRO A 36 12.265 -3.008 10.056 1.00 0.00 C ATOM 564 C PRO A 36 12.941 -4.271 9.520 1.00 0.00 C ATOM 565 O PRO A 36 12.455 -4.885 8.572 1.00 0.00 O ATOM 566 CB PRO A 36 11.159 -3.304 11.055 1.00 0.00 C ATOM 567 CG PRO A 36 9.854 -3.131 10.295 1.00 0.00 C ATOM 568 CD PRO A 36 10.164 -2.410 8.993 1.00 0.00 C ATOM 0 HA PRO A 36 13.069 -2.444 10.529 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.250 -4.316 11.450 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.209 -2.624 11.906 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.397 -4.100 10.095 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.140 -2.559 10.888 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.816 -2.980 8.132 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.672 -1.438 8.951 1.00 0.00 H new ATOM 576 N LEU A 37 14.052 -4.623 10.151 1.00 0.00 N ATOM 577 CA LEU A 37 14.800 -5.802 9.750 1.00 0.00 C ATOM 578 C LEU A 37 13.847 -6.995 9.651 1.00 0.00 C ATOM 579 O LEU A 37 14.127 -7.961 8.943 1.00 0.00 O ATOM 580 CB LEU A 37 15.981 -6.035 10.694 1.00 0.00 C ATOM 581 CG LEU A 37 17.327 -5.468 10.238 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.831 -4.402 11.212 1.00 0.00 C ATOM 583 CD2 LEU A 37 18.350 -6.586 10.031 1.00 0.00 C ATOM 0 H LEU A 37 14.452 -4.112 10.938 1.00 0.00 H new ATOM 0 HA LEU A 37 15.236 -5.658 8.762 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.736 -5.601 11.664 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.094 -7.109 10.844 1.00 0.00 H new ATOM 0 HG LEU A 37 17.184 -4.980 9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.789 -4.015 10.865 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.109 -3.587 11.265 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.955 -4.842 12.201 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.298 -6.156 9.707 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.496 -7.123 10.968 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.986 -7.276 9.270 1.00 0.00 H new ATOM 595 N ASN A 38 12.740 -6.889 10.372 1.00 0.00 N ATOM 596 CA ASN A 38 11.745 -7.948 10.374 1.00 0.00 C ATOM 597 C ASN A 38 11.192 -8.126 8.958 1.00 0.00 C ATOM 598 O ASN A 38 10.551 -9.132 8.660 1.00 0.00 O ATOM 599 CB ASN A 38 10.575 -7.601 11.297 1.00 0.00 C ATOM 600 CG ASN A 38 10.436 -8.634 12.418 1.00 0.00 C ATOM 601 OD1 ASN A 38 11.216 -8.680 13.355 1.00 0.00 O ATOM 602 ND2 ASN A 38 9.404 -9.459 12.269 1.00 0.00 N ATOM 0 H ASN A 38 12.510 -6.087 10.958 1.00 0.00 H new ATOM 0 HA ASN A 38 12.225 -8.861 10.726 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.727 -6.611 11.727 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.651 -7.559 10.720 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.227 -10.185 12.963 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.789 -9.366 11.460 1.00 0.00 H new ATOM 609 N ILE A 39 11.462 -7.133 8.123 1.00 0.00 N ATOM 610 CA ILE A 39 11.000 -7.167 6.746 1.00 0.00 C ATOM 611 C ILE A 39 12.145 -7.625 5.840 1.00 0.00 C ATOM 612 O ILE A 39 11.918 -8.320 4.850 1.00 0.00 O ATOM 613 CB ILE A 39 10.404 -5.816 6.347 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.368 -5.350 7.372 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.826 -5.868 4.931 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.437 -6.497 7.772 1.00 0.00 C ATOM 0 H ILE A 39 11.995 -6.300 8.374 1.00 0.00 H new ATOM 0 HA ILE A 39 10.193 -7.891 6.633 1.00 0.00 H new ATOM 0 HB ILE A 39 11.206 -5.078 6.340 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.875 -4.963 8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.783 -4.530 6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.409 -4.895 4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.616 -6.123 4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.041 -6.623 4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.711 -6.139 8.501 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.914 -6.866 6.890 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.023 -7.305 8.210 1.00 0.00 H new ATOM 628 N GLN A 40 13.350 -7.218 6.211 1.00 0.00 N ATOM 629 CA GLN A 40 14.530 -7.578 5.444 1.00 0.00 C ATOM 630 C GLN A 40 14.670 -9.100 5.368 1.00 0.00 C ATOM 631 O GLN A 40 14.831 -9.659 4.284 1.00 0.00 O ATOM 632 CB GLN A 40 15.787 -6.942 6.041 1.00 0.00 C ATOM 633 CG GLN A 40 15.677 -5.416 6.049 1.00 0.00 C ATOM 634 CD GLN A 40 17.048 -4.768 6.256 1.00 0.00 C ATOM 635 OE1 GLN A 40 18.033 -5.126 5.631 1.00 0.00 O ATOM 636 NE2 GLN A 40 17.057 -3.798 7.166 1.00 0.00 N ATOM 0 H GLN A 40 13.534 -6.642 7.033 1.00 0.00 H new ATOM 0 HA GLN A 40 14.413 -7.192 4.431 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.935 -7.305 7.058 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.661 -7.244 5.464 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.248 -5.074 5.107 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.999 -5.101 6.842 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.197 -3.548 7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.924 -3.304 7.377 1.00 0.00 H new ATOM 645 N GLY A 41 14.603 -9.727 6.533 1.00 0.00 N ATOM 646 CA GLY A 41 14.720 -11.174 6.612 1.00 0.00 C ATOM 647 C GLY A 41 13.899 -11.851 5.514 1.00 0.00 C ATOM 648 O GLY A 41 14.235 -12.948 5.069 1.00 0.00 O ATOM 0 H GLY A 41 14.469 -9.260 7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.767 -11.463 6.519 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.380 -11.517 7.589 1.00 0.00 H new ATOM 652 N LEU A 42 12.838 -11.169 5.107 1.00 0.00 N ATOM 653 CA LEU A 42 11.966 -11.692 4.069 1.00 0.00 C ATOM 654 C LEU A 42 12.804 -12.059 2.842 1.00 0.00 C ATOM 655 O LEU A 42 13.048 -13.236 2.583 1.00 0.00 O ATOM 656 CB LEU A 42 10.838 -10.703 3.769 1.00 0.00 C ATOM 657 CG LEU A 42 10.000 -10.258 4.969 1.00 0.00 C ATOM 658 CD1 LEU A 42 9.101 -9.075 4.602 1.00 0.00 C ATOM 659 CD2 LEU A 42 9.200 -11.429 5.544 1.00 0.00 C ATOM 0 H LEU A 42 12.563 -10.259 5.477 1.00 0.00 H new ATOM 0 HA LEU A 42 11.477 -12.606 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.272 -9.817 3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.172 -11.154 3.033 1.00 0.00 H new ATOM 0 HG LEU A 42 10.678 -9.917 5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.516 -8.779 5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.717 -8.237 4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.428 -9.366 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.613 -11.085 6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.532 -11.824 4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.884 -12.213 5.868 1.00 0.00 H new ATOM 748 N ASP A 48 11.821 -6.427 -7.173 1.00 0.00 N ATOM 749 CA ASP A 48 10.880 -6.324 -6.071 1.00 0.00 C ATOM 750 C ASP A 48 11.489 -5.461 -4.965 1.00 0.00 C ATOM 751 O ASP A 48 12.692 -5.523 -4.715 1.00 0.00 O ATOM 752 CB ASP A 48 10.571 -7.702 -5.480 1.00 0.00 C ATOM 753 CG ASP A 48 10.322 -8.806 -6.509 1.00 0.00 C ATOM 754 OD1 ASP A 48 11.314 -9.229 -7.139 1.00 0.00 O ATOM 755 OD2 ASP A 48 9.143 -9.201 -6.642 1.00 0.00 O ATOM 0 HA ASP A 48 9.960 -5.881 -6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.402 -8.002 -4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.693 -7.618 -4.840 1.00 0.00 H new ATOM 760 N PHE A 49 10.631 -4.675 -4.331 1.00 0.00 N ATOM 761 CA PHE A 49 11.070 -3.800 -3.258 1.00 0.00 C ATOM 762 C PHE A 49 10.061 -3.795 -2.107 1.00 0.00 C ATOM 763 O PHE A 49 8.917 -4.212 -2.278 1.00 0.00 O ATOM 764 CB PHE A 49 11.166 -2.389 -3.842 1.00 0.00 C ATOM 765 CG PHE A 49 10.068 -2.058 -4.854 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.783 -1.902 -4.437 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.377 -1.921 -6.172 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.764 -1.595 -5.377 1.00 0.00 C ATOM 769 CE2 PHE A 49 9.358 -1.614 -7.112 1.00 0.00 C ATOM 770 CZ PHE A 49 8.073 -1.457 -6.695 1.00 0.00 C ATOM 0 H PHE A 49 9.634 -4.626 -4.540 1.00 0.00 H new ATOM 0 HA PHE A 49 12.027 -4.144 -2.866 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.125 -1.666 -3.027 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.137 -2.271 -4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.538 -2.012 -3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.397 -2.046 -6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.744 -1.471 -5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.603 -1.505 -8.158 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.298 -1.223 -7.410 1.00 0.00 H new ATOM 780 N PRO A 50 10.534 -3.305 -0.930 1.00 0.00 N ATOM 781 CA PRO A 50 9.687 -3.241 0.248 1.00 0.00 C ATOM 782 C PRO A 50 8.679 -2.094 0.137 1.00 0.00 C ATOM 783 O PRO A 50 9.048 -0.969 -0.194 1.00 0.00 O ATOM 784 CB PRO A 50 10.647 -3.076 1.415 1.00 0.00 C ATOM 785 CG PRO A 50 11.955 -2.590 0.813 1.00 0.00 C ATOM 786 CD PRO A 50 11.884 -2.802 -0.690 1.00 0.00 C ATOM 0 HA PRO A 50 9.076 -4.135 0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.261 -2.360 2.140 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.787 -4.020 1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.113 -1.536 1.043 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.797 -3.138 1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.062 -1.872 -1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.638 -3.515 -1.025 1.00 0.00 H new ATOM 794 N VAL A 51 7.426 -2.421 0.419 1.00 0.00 N ATOM 795 CA VAL A 51 6.363 -1.432 0.354 1.00 0.00 C ATOM 796 C VAL A 51 5.479 -1.559 1.596 1.00 0.00 C ATOM 797 O VAL A 51 5.276 -2.659 2.109 1.00 0.00 O ATOM 798 CB VAL A 51 5.583 -1.587 -0.953 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.515 -1.488 -2.162 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.800 -2.901 -0.971 1.00 0.00 C ATOM 0 H VAL A 51 7.123 -3.356 0.693 1.00 0.00 H new ATOM 0 HA VAL A 51 6.778 -0.424 0.351 1.00 0.00 H new ATOM 0 HB VAL A 51 4.866 -0.769 -1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.936 -1.601 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.008 -0.516 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.266 -2.276 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.254 -2.987 -1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.492 -3.738 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.095 -2.916 -0.140 1.00 0.00 H new ATOM 810 N PHE A 52 4.977 -0.418 2.045 1.00 0.00 N ATOM 811 CA PHE A 52 4.119 -0.388 3.218 1.00 0.00 C ATOM 812 C PHE A 52 2.647 -0.264 2.817 1.00 0.00 C ATOM 813 O PHE A 52 2.267 0.674 2.118 1.00 0.00 O ATOM 814 CB PHE A 52 4.519 0.844 4.033 1.00 0.00 C ATOM 815 CG PHE A 52 3.644 1.086 5.264 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.679 0.211 6.306 1.00 0.00 C ATOM 817 CD2 PHE A 52 2.832 2.175 5.319 1.00 0.00 C ATOM 818 CE1 PHE A 52 2.868 0.436 7.449 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.020 2.399 6.462 1.00 0.00 C ATOM 820 CZ PHE A 52 2.055 1.525 7.503 1.00 0.00 C ATOM 0 H PHE A 52 5.148 0.492 1.618 1.00 0.00 H new ATOM 0 HA PHE A 52 4.236 -1.309 3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.555 0.735 4.352 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.474 1.723 3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.324 -0.654 6.263 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.805 2.870 4.493 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.897 -0.258 8.276 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.374 3.264 6.505 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.437 1.695 8.372 1.00 0.00 H new ATOM 830 N PHE A 53 1.859 -1.224 3.278 1.00 0.00 N ATOM 831 CA PHE A 53 0.438 -1.234 2.976 1.00 0.00 C ATOM 832 C PHE A 53 -0.345 -0.408 3.999 1.00 0.00 C ATOM 833 O PHE A 53 -0.397 -0.758 5.177 1.00 0.00 O ATOM 834 CB PHE A 53 -0.025 -2.690 3.053 1.00 0.00 C ATOM 835 CG PHE A 53 0.295 -3.512 1.803 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.543 -3.471 1.263 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.668 -4.283 1.231 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.840 -4.234 0.103 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.371 -5.046 0.070 1.00 0.00 C ATOM 840 CZ PHE A 53 0.877 -5.005 -0.469 1.00 0.00 C ATOM 0 H PHE A 53 2.178 -2.000 3.858 1.00 0.00 H new ATOM 0 HA PHE A 53 0.264 -0.803 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.442 -3.164 3.916 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.102 -2.710 3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.308 -2.858 1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.659 -4.315 1.659 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.831 -4.202 -0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.136 -5.658 -0.384 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.103 -5.585 -1.352 1.00 0.00 H new ATOM 850 N PHE A 54 -0.935 0.673 3.511 1.00 0.00 N ATOM 851 CA PHE A 54 -1.713 1.552 4.367 1.00 0.00 C ATOM 852 C PHE A 54 -2.920 0.818 4.955 1.00 0.00 C ATOM 853 O PHE A 54 -3.242 -0.292 4.532 1.00 0.00 O ATOM 854 CB PHE A 54 -2.209 2.705 3.492 1.00 0.00 C ATOM 855 CG PHE A 54 -1.093 3.464 2.772 1.00 0.00 C ATOM 856 CD1 PHE A 54 0.012 3.860 3.457 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.207 3.743 1.445 1.00 0.00 C ATOM 858 CE1 PHE A 54 1.048 4.565 2.789 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.171 4.448 0.777 1.00 0.00 C ATOM 860 CZ PHE A 54 0.934 4.844 1.463 1.00 0.00 C ATOM 0 H PHE A 54 -0.890 0.960 2.533 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.098 1.905 5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.904 2.312 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.768 3.405 4.113 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.102 3.638 4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.085 3.428 0.900 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.926 4.879 3.334 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.261 4.670 -0.276 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.722 5.380 0.955 1.00 0.00 H new ATOM 870 N GLY A 55 -3.555 1.466 5.920 1.00 0.00 N ATOM 871 CA GLY A 55 -4.719 0.889 6.570 1.00 0.00 C ATOM 872 C GLY A 55 -4.315 -0.250 7.508 1.00 0.00 C ATOM 873 O GLY A 55 -4.560 -0.184 8.712 1.00 0.00 O ATOM 0 H GLY A 55 -3.285 2.386 6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.245 1.660 7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.413 0.516 5.817 1.00 0.00 H new ATOM 877 N SER A 56 -3.702 -1.268 6.922 1.00 0.00 N ATOM 878 CA SER A 56 -3.261 -2.419 7.691 1.00 0.00 C ATOM 879 C SER A 56 -1.897 -2.136 8.323 1.00 0.00 C ATOM 880 O SER A 56 -1.680 -2.432 9.497 1.00 0.00 O ATOM 881 CB SER A 56 -3.190 -3.672 6.815 1.00 0.00 C ATOM 882 OG SER A 56 -3.235 -4.868 7.588 1.00 0.00 O ATOM 0 H SER A 56 -3.500 -1.320 5.923 1.00 0.00 H new ATOM 0 HA SER A 56 -3.989 -2.601 8.481 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.019 -3.667 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.271 -3.653 6.230 1.00 0.00 H new ATOM 0 HG SER A 56 -2.332 -5.092 7.897 1.00 0.00 H new ATOM 888 N HIS A 57 -1.014 -1.565 7.517 1.00 0.00 N ATOM 889 CA HIS A 57 0.323 -1.238 7.983 1.00 0.00 C ATOM 890 C HIS A 57 1.169 -2.511 8.050 1.00 0.00 C ATOM 891 O HIS A 57 1.453 -3.015 9.135 1.00 0.00 O ATOM 892 CB HIS A 57 0.265 -0.493 9.318 1.00 0.00 C ATOM 893 CG HIS A 57 -0.760 0.615 9.360 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.245 1.143 10.544 1.00 0.00 N ATOM 895 CD2 HIS A 57 -1.386 1.288 8.352 1.00 0.00 C ATOM 896 CE1 HIS A 57 -2.123 2.091 10.250 1.00 0.00 C ATOM 897 NE2 HIS A 57 -2.210 2.179 8.891 1.00 0.00 N ATOM 0 H HIS A 57 -1.198 -1.320 6.544 1.00 0.00 H new ATOM 0 HA HIS A 57 0.804 -0.562 7.276 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.045 -1.207 10.111 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.248 -0.073 9.531 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.237 1.124 7.295 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.673 2.689 10.961 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.809 2.823 8.374 1.00 0.00 H new ATOM 905 N ASP A 58 1.547 -2.994 6.876 1.00 0.00 N ATOM 906 CA ASP A 58 2.355 -4.198 6.787 1.00 0.00 C ATOM 907 C ASP A 58 3.284 -4.097 5.575 1.00 0.00 C ATOM 908 O ASP A 58 2.888 -3.589 4.527 1.00 0.00 O ATOM 909 CB ASP A 58 1.477 -5.438 6.608 1.00 0.00 C ATOM 910 CG ASP A 58 0.192 -5.447 7.438 1.00 0.00 C ATOM 911 OD1 ASP A 58 -0.546 -4.442 7.352 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.022 -6.458 8.141 1.00 0.00 O ATOM 0 H ASP A 58 1.309 -2.573 5.978 1.00 0.00 H new ATOM 0 HA ASP A 58 2.925 -4.290 7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.212 -5.528 5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.064 -6.320 6.865 1.00 0.00 H new ATOM 917 N TYR A 59 4.500 -4.588 5.759 1.00 0.00 N ATOM 918 CA TYR A 59 5.488 -4.559 4.694 1.00 0.00 C ATOM 919 C TYR A 59 5.520 -5.890 3.940 1.00 0.00 C ATOM 920 O TYR A 59 5.272 -6.944 4.523 1.00 0.00 O ATOM 921 CB TYR A 59 6.839 -4.341 5.378 1.00 0.00 C ATOM 922 CG TYR A 59 6.889 -3.103 6.276 1.00 0.00 C ATOM 923 CD1 TYR A 59 6.984 -1.846 5.715 1.00 0.00 C ATOM 924 CD2 TYR A 59 6.840 -3.244 7.648 1.00 0.00 C ATOM 925 CE1 TYR A 59 7.031 -0.682 6.560 1.00 0.00 C ATOM 926 CE2 TYR A 59 6.887 -2.080 8.494 1.00 0.00 C ATOM 927 CZ TYR A 59 6.980 -0.856 7.908 1.00 0.00 C ATOM 928 OH TYR A 59 7.024 0.244 8.707 1.00 0.00 O ATOM 0 H TYR A 59 4.824 -5.008 6.630 1.00 0.00 H new ATOM 0 HA TYR A 59 5.253 -3.776 3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.078 -5.221 5.976 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.612 -4.255 4.614 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.023 -1.736 4.641 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.766 -4.228 8.087 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.105 0.307 6.133 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.849 -2.176 9.569 1.00 0.00 H new ATOM 0 HH TYR A 59 6.978 -0.032 9.646 1.00 0.00 H new ATOM 938 N TYR A 60 5.829 -5.798 2.655 1.00 0.00 N ATOM 939 CA TYR A 60 5.897 -6.982 1.815 1.00 0.00 C ATOM 940 C TYR A 60 6.829 -6.755 0.622 1.00 0.00 C ATOM 941 O TYR A 60 7.016 -5.622 0.184 1.00 0.00 O ATOM 942 CB TYR A 60 4.476 -7.216 1.299 1.00 0.00 C ATOM 943 CG TYR A 60 3.443 -7.444 2.405 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.589 -8.504 3.277 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.365 -6.591 2.529 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.616 -8.719 4.317 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.393 -6.806 3.569 1.00 0.00 C ATOM 948 CZ TYR A 60 1.566 -7.860 4.412 1.00 0.00 C ATOM 949 OH TYR A 60 0.648 -8.063 5.394 1.00 0.00 O ATOM 0 H TYR A 60 6.035 -4.922 2.175 1.00 0.00 H new ATOM 0 HA TYR A 60 6.282 -7.831 2.380 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.171 -6.356 0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.479 -8.080 0.635 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.432 -9.172 3.180 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.251 -5.762 1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.718 -9.544 5.006 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.545 -6.145 3.678 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.045 -7.372 5.342 1.00 0.00 H new ATOM 959 N TRP A 61 7.387 -7.852 0.132 1.00 0.00 N ATOM 960 CA TRP A 61 8.294 -7.787 -1.001 1.00 0.00 C ATOM 961 C TRP A 61 7.521 -8.213 -2.251 1.00 0.00 C ATOM 962 O TRP A 61 7.284 -9.401 -2.464 1.00 0.00 O ATOM 963 CB TRP A 61 9.543 -8.635 -0.753 1.00 0.00 C ATOM 964 CG TRP A 61 10.440 -8.108 0.368 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.362 -8.372 1.680 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.562 -7.211 0.223 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.347 -7.713 2.387 1.00 0.00 N ATOM 968 CE2 TRP A 61 12.100 -6.985 1.473 1.00 0.00 C ATOM 969 CE3 TRP A 61 12.103 -6.612 -0.928 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.206 -6.156 1.693 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.209 -5.786 -0.691 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.762 -5.547 0.561 1.00 0.00 C ATOM 0 H TRP A 61 7.229 -8.791 0.499 1.00 0.00 H new ATOM 0 HA TRP A 61 8.657 -6.770 -1.146 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.237 -9.653 -0.511 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.123 -8.687 -1.674 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.622 -9.019 2.127 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.495 -7.753 3.395 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.698 -6.776 -1.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.609 -5.995 2.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.664 -5.301 -1.542 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.617 -4.895 0.661 1.00 0.00 H new ATOM 983 N VAL A 62 7.149 -7.220 -3.045 1.00 0.00 N ATOM 984 CA VAL A 62 6.407 -7.477 -4.268 1.00 0.00 C ATOM 985 C VAL A 62 7.182 -6.908 -5.458 1.00 0.00 C ATOM 986 O VAL A 62 7.794 -5.846 -5.355 1.00 0.00 O ATOM 987 CB VAL A 62 4.991 -6.909 -4.150 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.189 -7.655 -3.082 1.00 0.00 C ATOM 989 CG2 VAL A 62 5.025 -5.407 -3.862 1.00 0.00 C ATOM 0 H VAL A 62 7.347 -6.236 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 62 6.300 -8.549 -4.432 1.00 0.00 H new ATOM 0 HB VAL A 62 4.490 -7.055 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.187 -7.232 -3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.121 -8.710 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.687 -7.556 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.006 -5.029 -3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.552 -5.228 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.541 -4.893 -4.673 1.00 0.00 H new ATOM 999 N HIS A 63 7.131 -7.640 -6.561 1.00 0.00 N ATOM 1000 CA HIS A 63 7.821 -7.222 -7.770 1.00 0.00 C ATOM 1001 C HIS A 63 7.347 -5.825 -8.173 1.00 0.00 C ATOM 1002 O HIS A 63 6.474 -5.250 -7.525 1.00 0.00 O ATOM 1003 CB HIS A 63 7.639 -8.255 -8.884 1.00 0.00 C ATOM 1004 CG HIS A 63 6.235 -8.801 -8.992 1.00 0.00 C ATOM 1005 ND1 HIS A 63 5.914 -9.893 -9.780 1.00 0.00 N ATOM 1006 CD2 HIS A 63 5.074 -8.397 -8.402 1.00 0.00 C ATOM 1007 CE1 HIS A 63 4.615 -10.125 -9.663 1.00 0.00 C ATOM 1008 NE2 HIS A 63 4.096 -9.197 -8.809 1.00 0.00 N ATOM 0 H HIS A 63 6.622 -8.520 -6.643 1.00 0.00 H new ATOM 0 HA HIS A 63 8.893 -7.164 -7.581 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.915 -7.801 -9.835 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.328 -9.083 -8.714 1.00 0.00 H new ATOM 0 HD1 HIS A 63 6.567 -10.428 -10.353 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.968 -7.567 -7.719 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.064 -10.911 -10.157 1.00 0.00 H new ATOM 1016 N GLN A 64 7.944 -5.318 -9.242 1.00 0.00 N ATOM 1017 CA GLN A 64 7.594 -3.999 -9.740 1.00 0.00 C ATOM 1018 C GLN A 64 6.788 -4.117 -11.036 1.00 0.00 C ATOM 1019 O GLN A 64 6.900 -5.110 -11.752 1.00 0.00 O ATOM 1020 CB GLN A 64 8.844 -3.142 -9.948 1.00 0.00 C ATOM 1021 CG GLN A 64 9.513 -3.463 -11.287 1.00 0.00 C ATOM 1022 CD GLN A 64 11.017 -3.189 -11.228 1.00 0.00 C ATOM 1023 OE1 GLN A 64 11.585 -2.923 -10.182 1.00 0.00 O ATOM 1024 NE2 GLN A 64 11.627 -3.267 -12.407 1.00 0.00 N ATOM 0 H GLN A 64 8.668 -5.797 -9.777 1.00 0.00 H new ATOM 0 HA GLN A 64 6.974 -3.503 -8.993 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.575 -2.086 -9.916 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.548 -3.316 -9.135 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.340 -4.508 -11.543 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.061 -2.863 -12.077 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.091 -3.494 -13.244 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.631 -3.099 -12.474 1.00 0.00 H new ATOM 1033 N GLY A 65 5.994 -3.089 -11.297 1.00 0.00 N ATOM 1034 CA GLY A 65 5.170 -3.065 -12.493 1.00 0.00 C ATOM 1035 C GLY A 65 3.715 -3.408 -12.164 1.00 0.00 C ATOM 1036 O GLY A 65 2.802 -3.018 -12.890 1.00 0.00 O ATOM 0 H GLY A 65 5.904 -2.267 -10.700 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.220 -2.078 -12.953 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.559 -3.776 -13.221 1.00 0.00 H new ATOM 1040 N ARG A 66 3.545 -4.132 -11.068 1.00 0.00 N ATOM 1041 CA ARG A 66 2.217 -4.532 -10.634 1.00 0.00 C ATOM 1042 C ARG A 66 1.561 -3.407 -9.830 1.00 0.00 C ATOM 1043 O ARG A 66 0.382 -3.490 -9.489 1.00 0.00 O ATOM 1044 CB ARG A 66 2.276 -5.796 -9.774 1.00 0.00 C ATOM 1045 CG ARG A 66 2.561 -7.030 -10.633 1.00 0.00 C ATOM 1046 CD ARG A 66 1.374 -7.996 -10.617 1.00 0.00 C ATOM 1047 NE ARG A 66 1.273 -8.695 -11.917 1.00 0.00 N ATOM 1048 CZ ARG A 66 0.287 -9.544 -12.239 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -0.688 -9.804 -11.357 1.00 0.00 N ATOM 1050 NH2 ARG A 66 0.277 -10.133 -13.442 1.00 0.00 N ATOM 0 H ARG A 66 4.305 -4.452 -10.467 1.00 0.00 H new ATOM 0 HA ARG A 66 1.625 -4.740 -11.525 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.052 -5.689 -9.016 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.331 -5.926 -9.246 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.771 -6.723 -11.658 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.452 -7.537 -10.263 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.496 -8.722 -9.813 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.453 -7.450 -10.416 1.00 0.00 H new ATOM 0 HE ARG A 66 1.999 -8.520 -12.612 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.680 -9.356 -10.441 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.438 -10.450 -11.602 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.020 -9.935 -14.113 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.473 -10.779 -13.687 1.00 0.00 H new ATOM 1064 N VAL A 67 2.353 -2.383 -9.551 1.00 0.00 N ATOM 1065 CA VAL A 67 1.864 -1.243 -8.794 1.00 0.00 C ATOM 1066 C VAL A 67 1.511 -0.109 -9.758 1.00 0.00 C ATOM 1067 O VAL A 67 2.129 0.029 -10.812 1.00 0.00 O ATOM 1068 CB VAL A 67 2.895 -0.833 -7.740 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.647 -2.053 -7.205 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.867 0.208 -8.300 1.00 0.00 C ATOM 0 H VAL A 67 3.330 -2.318 -9.835 1.00 0.00 H new ATOM 0 HA VAL A 67 0.954 -1.505 -8.254 1.00 0.00 H new ATOM 0 HB VAL A 67 2.360 -0.378 -6.907 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.373 -1.734 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.939 -2.746 -6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.165 -2.550 -8.025 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.589 0.482 -7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.392 -0.210 -9.159 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.313 1.094 -8.610 1.00 0.00 H new ATOM 1080 N PHE A 68 0.518 0.674 -9.362 1.00 0.00 N ATOM 1081 CA PHE A 68 0.075 1.791 -10.178 1.00 0.00 C ATOM 1082 C PHE A 68 0.446 3.126 -9.528 1.00 0.00 C ATOM 1083 O PHE A 68 0.441 3.247 -8.304 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.448 1.694 -10.282 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.957 1.370 -11.688 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -2.093 0.075 -12.080 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.272 2.377 -12.546 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -2.565 -0.226 -13.385 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.744 2.076 -13.851 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.880 0.781 -14.243 1.00 0.00 C ATOM 0 H PHE A 68 0.008 0.557 -8.487 1.00 0.00 H new ATOM 0 HA PHE A 68 0.553 1.749 -11.157 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.801 0.926 -9.593 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.885 2.638 -9.957 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.842 -0.725 -11.399 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.163 3.405 -12.235 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.674 -1.254 -13.696 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.995 2.876 -14.532 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.238 0.552 -15.236 1.00 0.00 H new ATOM 1100 N PRO A 69 0.767 4.120 -10.399 1.00 0.00 N ATOM 1101 CA PRO A 69 1.139 5.441 -9.922 1.00 0.00 C ATOM 1102 C PRO A 69 -0.088 6.215 -9.437 1.00 0.00 C ATOM 1103 O PRO A 69 -1.068 6.354 -10.168 1.00 0.00 O ATOM 1104 CB PRO A 69 1.832 6.104 -11.102 1.00 0.00 C ATOM 1105 CG PRO A 69 1.412 5.313 -12.330 1.00 0.00 C ATOM 1106 CD PRO A 69 0.784 4.013 -11.855 1.00 0.00 C ATOM 0 HA PRO A 69 1.801 5.405 -9.057 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.537 7.150 -11.191 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.915 6.088 -10.978 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.701 5.884 -12.927 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.273 5.111 -12.967 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.223 3.890 -12.255 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.364 3.150 -12.182 1.00 0.00 H new ATOM 1114 N TYR A 70 0.005 6.699 -8.208 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.086 7.455 -7.616 1.00 0.00 C ATOM 1116 C TYR A 70 -0.999 8.934 -8.001 1.00 0.00 C ATOM 1117 O TYR A 70 0.013 9.586 -7.752 1.00 0.00 O ATOM 1118 CB TYR A 70 -0.917 7.324 -6.101 1.00 0.00 C ATOM 1119 CG TYR A 70 -1.949 8.110 -5.290 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -1.842 9.481 -5.180 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -2.988 7.447 -4.669 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -2.814 10.221 -4.416 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -3.960 8.186 -3.905 1.00 0.00 C ATOM 1124 CZ TYR A 70 -3.825 9.536 -3.817 1.00 0.00 C ATOM 1125 OH TYR A 70 -4.742 10.235 -3.095 1.00 0.00 O ATOM 0 H TYR A 70 0.819 6.583 -7.605 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.048 7.077 -7.963 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.981 6.271 -5.828 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.081 7.664 -5.826 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.029 10.000 -5.667 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.072 6.374 -4.756 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.742 11.294 -4.321 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.777 7.679 -3.413 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.407 9.617 -2.725 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.076 9.419 -8.602 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.134 10.809 -9.024 1.00 0.00 C ATOM 1137 C VAL A 71 -2.803 11.642 -7.929 1.00 0.00 C ATOM 1138 O VAL A 71 -3.432 11.094 -7.024 1.00 0.00 O ATOM 1139 CB VAL A 71 -2.845 10.916 -10.375 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -2.759 12.340 -10.928 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -2.279 9.904 -11.374 1.00 0.00 C ATOM 0 H VAL A 71 -2.914 8.875 -8.807 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.130 11.207 -9.168 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.898 10.680 -10.220 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.272 12.389 -11.889 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.231 13.031 -10.229 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.713 12.616 -11.061 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.801 10.001 -12.326 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.216 10.095 -11.522 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.416 8.895 -10.986 1.00 0.00 H new ATOM 1151 N GLU A 72 -2.645 12.952 -8.047 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.226 13.866 -7.078 1.00 0.00 C ATOM 1153 C GLU A 72 -4.224 14.802 -7.763 1.00 0.00 C ATOM 1154 O GLU A 72 -5.403 14.821 -7.413 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.138 14.660 -6.353 1.00 0.00 C ATOM 1156 CG GLU A 72 -2.579 15.025 -4.934 1.00 0.00 C ATOM 1157 CD GLU A 72 -2.371 16.516 -4.661 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -1.192 16.931 -4.650 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -3.395 17.206 -4.469 1.00 0.00 O ATOM 0 H GLU A 72 -2.123 13.402 -8.799 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.761 13.280 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.220 14.073 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.912 15.568 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.630 14.770 -4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.013 14.437 -4.211 1.00 0.00 H new ATOM 1367 N THR A 87 -11.176 0.232 7.461 1.00 0.00 N ATOM 1368 CA THR A 87 -9.736 0.268 7.274 1.00 0.00 C ATOM 1369 C THR A 87 -9.386 0.968 5.959 1.00 0.00 C ATOM 1370 O THR A 87 -8.533 1.854 5.931 1.00 0.00 O ATOM 1371 CB THR A 87 -9.212 -1.167 7.356 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.387 -1.522 8.725 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.700 -1.252 7.140 1.00 0.00 C ATOM 0 HA THR A 87 -9.251 0.852 8.056 1.00 0.00 H new ATOM 0 HB THR A 87 -9.720 -1.782 6.613 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.277 -1.242 9.024 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.381 -2.292 7.208 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.451 -0.860 6.154 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.190 -0.665 7.904 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.064 0.545 4.902 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.835 1.120 3.587 1.00 0.00 C ATOM 1383 C PHE A 88 -9.774 2.647 3.660 1.00 0.00 C ATOM 1384 O PHE A 88 -8.801 3.254 3.217 1.00 0.00 O ATOM 1385 CB PHE A 88 -11.019 0.709 2.708 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.794 0.945 1.213 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.791 0.295 0.565 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.599 1.805 0.532 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.583 0.514 -0.822 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.390 2.024 -0.855 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.387 1.374 -1.503 1.00 0.00 C ATOM 0 H PHE A 88 -10.772 -0.189 4.929 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.887 0.765 3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.230 -0.348 2.871 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.903 1.263 3.024 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.152 -0.388 1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.396 2.321 1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.786 -0.002 -1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.028 2.707 -1.396 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.229 1.541 -2.558 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.827 3.223 4.221 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.905 4.668 4.357 1.00 0.00 C ATOM 1403 C LYS A 89 -9.663 5.174 5.094 1.00 0.00 C ATOM 1404 O LYS A 89 -9.099 6.204 4.730 1.00 0.00 O ATOM 1405 CB LYS A 89 -12.222 5.073 5.022 1.00 0.00 C ATOM 1406 CG LYS A 89 -12.995 6.063 4.149 1.00 0.00 C ATOM 1407 CD LYS A 89 -14.081 6.776 4.958 1.00 0.00 C ATOM 1408 CE LYS A 89 -14.342 8.180 4.408 1.00 0.00 C ATOM 1409 NZ LYS A 89 -15.773 8.347 4.072 1.00 0.00 N ATOM 0 H LYS A 89 -11.633 2.716 4.587 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.910 5.143 3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.831 4.187 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.020 5.521 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.307 6.798 3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.449 5.536 3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -15.002 6.194 4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.777 6.842 6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.046 8.927 5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.732 8.349 3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.933 9.305 3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.045 7.647 3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.349 8.207 4.927 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.275 4.427 6.117 1.00 0.00 N ATOM 1424 CA LYS A 90 -8.111 4.787 6.908 1.00 0.00 C ATOM 1425 C LYS A 90 -6.862 4.722 6.027 1.00 0.00 C ATOM 1426 O LYS A 90 -5.969 5.560 6.148 1.00 0.00 O ATOM 1427 CB LYS A 90 -8.025 3.915 8.162 1.00 0.00 C ATOM 1428 CG LYS A 90 -6.755 4.223 8.958 1.00 0.00 C ATOM 1429 CD LYS A 90 -6.983 4.018 10.457 1.00 0.00 C ATOM 1430 CE LYS A 90 -5.657 4.035 11.220 1.00 0.00 C ATOM 1431 NZ LYS A 90 -5.891 3.841 12.669 1.00 0.00 N ATOM 0 H LYS A 90 -9.747 3.574 6.416 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.196 5.813 7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.901 4.085 8.788 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.035 2.862 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.944 3.579 8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.445 5.251 8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.637 4.802 10.840 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.491 3.068 10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.003 3.249 10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.146 4.983 11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.981 3.855 13.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.497 4.606 13.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.359 2.926 12.826 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.838 3.720 5.161 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.713 3.535 4.260 1.00 0.00 C ATOM 1447 C ALA A 91 -5.744 4.621 3.183 1.00 0.00 C ATOM 1448 O ALA A 91 -4.702 5.157 2.807 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.759 2.125 3.668 1.00 0.00 C ATOM 0 H ALA A 91 -7.580 3.027 5.064 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.770 3.632 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.915 1.986 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.704 1.391 4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.690 1.992 3.118 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.949 4.914 2.717 1.00 0.00 N ATOM 1456 CA LEU A 92 -7.129 5.927 1.691 1.00 0.00 C ATOM 1457 C LEU A 92 -6.578 7.262 2.196 1.00 0.00 C ATOM 1458 O LEU A 92 -5.780 7.905 1.516 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.593 5.992 1.253 1.00 0.00 C ATOM 1460 CG LEU A 92 -9.148 4.735 0.578 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.672 4.674 0.703 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.688 4.647 -0.878 1.00 0.00 C ATOM 0 H LEU A 92 -7.811 4.467 3.031 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.564 5.667 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.204 6.210 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.709 6.831 0.566 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.747 3.863 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.041 3.772 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.950 4.657 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.112 5.550 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.096 3.745 -1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.041 5.522 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.599 4.611 -0.914 1.00 0.00 H new ATOM 1474 N GLU A 93 -7.027 7.639 3.384 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.589 8.886 3.988 1.00 0.00 C ATOM 1476 C GLU A 93 -5.068 8.888 4.159 1.00 0.00 C ATOM 1477 O GLU A 93 -4.395 9.832 3.750 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.292 9.124 5.326 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.796 9.322 5.128 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.348 10.352 6.116 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -9.660 9.937 7.253 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -9.446 11.530 5.711 1.00 0.00 O ATOM 0 H GLU A 93 -7.690 7.103 3.945 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.861 9.705 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.117 8.276 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.867 10.002 5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.992 9.650 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.312 8.371 5.262 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.572 7.819 4.765 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.144 7.685 4.995 1.00 0.00 C ATOM 1491 C GLU A 94 -2.379 7.803 3.675 1.00 0.00 C ATOM 1492 O GLU A 94 -1.458 8.610 3.557 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.823 6.364 5.698 1.00 0.00 C ATOM 1494 CG GLU A 94 -2.815 6.540 7.218 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.514 6.010 7.824 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -1.231 4.812 7.602 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -0.832 6.814 8.496 1.00 0.00 O ATOM 0 H GLU A 94 -5.134 7.038 5.104 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.825 8.495 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.560 5.611 5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.852 5.998 5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.933 7.595 7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.664 6.013 7.653 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.790 6.988 2.715 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.156 6.991 1.408 1.00 0.00 C ATOM 1506 C ALA A 95 -2.043 8.431 0.904 1.00 0.00 C ATOM 1507 O ALA A 95 -1.051 8.797 0.276 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.952 6.100 0.452 1.00 0.00 C ATOM 0 H ALA A 95 -3.555 6.321 2.816 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.147 6.583 1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.476 6.102 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.978 5.082 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.970 6.480 0.362 1.00 0.00 H new ATOM 1514 N ALA A 96 -3.073 9.210 1.199 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.102 10.602 0.784 1.00 0.00 C ATOM 1516 C ALA A 96 -2.060 11.389 1.581 1.00 0.00 C ATOM 1517 O ALA A 96 -1.175 12.018 1.002 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.516 11.160 0.963 1.00 0.00 C ATOM 0 H ALA A 96 -3.894 8.903 1.721 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.847 10.692 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.537 12.204 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.214 10.585 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.805 11.088 2.011 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.198 11.329 2.897 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.280 12.028 3.780 1.00 0.00 C ATOM 1526 C LYS A 97 0.152 11.836 3.274 1.00 0.00 C ATOM 1527 O LYS A 97 0.810 12.798 2.883 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.485 11.583 5.229 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.590 12.790 6.163 1.00 0.00 C ATOM 1530 CD LYS A 97 -2.947 12.820 6.870 1.00 0.00 C ATOM 1531 CE LYS A 97 -2.951 13.845 8.006 1.00 0.00 C ATOM 1532 NZ LYS A 97 -2.901 13.164 9.319 1.00 0.00 N ATOM 0 H LYS A 97 -2.933 10.806 3.374 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.482 13.099 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.391 10.981 5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.654 10.949 5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.791 12.752 6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.453 13.709 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.730 13.065 6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.176 11.831 7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.096 14.513 7.904 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.847 14.462 7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.904 13.874 10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.730 12.544 9.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.033 12.594 9.382 1.00 0.00 H new ATOM 1546 N ARG A 98 0.591 10.586 3.299 1.00 0.00 N ATOM 1547 CA ARG A 98 1.932 10.255 2.849 1.00 0.00 C ATOM 1548 C ARG A 98 2.297 11.083 1.614 1.00 0.00 C ATOM 1549 O ARG A 98 3.244 11.866 1.645 1.00 0.00 O ATOM 1550 CB ARG A 98 2.048 8.768 2.509 1.00 0.00 C ATOM 1551 CG ARG A 98 2.029 7.913 3.778 1.00 0.00 C ATOM 1552 CD ARG A 98 3.340 8.056 4.555 1.00 0.00 C ATOM 1553 NE ARG A 98 3.548 6.872 5.418 1.00 0.00 N ATOM 1554 CZ ARG A 98 4.585 6.725 6.254 1.00 0.00 C ATOM 1555 NH1 ARG A 98 5.514 7.687 6.345 1.00 0.00 N ATOM 1556 NH2 ARG A 98 4.693 5.617 7.000 1.00 0.00 N ATOM 0 H ARG A 98 0.042 9.790 3.624 1.00 0.00 H new ATOM 0 HA ARG A 98 2.620 10.485 3.662 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.226 8.475 1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.971 8.588 1.959 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.193 8.212 4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.871 6.867 3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.174 8.162 3.861 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.315 8.960 5.163 1.00 0.00 H new ATOM 0 HE ARG A 98 2.859 6.121 5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.432 8.531 5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.303 7.575 6.981 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.986 4.885 6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.482 5.505 7.636 1.00 0.00 H new ATOM 1570 N PHE A 99 1.525 10.880 0.556 1.00 0.00 N ATOM 1571 CA PHE A 99 1.754 11.598 -0.686 1.00 0.00 C ATOM 1572 C PHE A 99 1.989 13.087 -0.424 1.00 0.00 C ATOM 1573 O PHE A 99 2.841 13.706 -1.060 1.00 0.00 O ATOM 1574 CB PHE A 99 0.493 11.435 -1.536 1.00 0.00 C ATOM 1575 CG PHE A 99 0.612 12.022 -2.944 1.00 0.00 C ATOM 1576 CD1 PHE A 99 1.181 11.292 -3.940 1.00 0.00 C ATOM 1577 CD2 PHE A 99 0.148 13.275 -3.199 1.00 0.00 C ATOM 1578 CE1 PHE A 99 1.291 11.837 -5.247 1.00 0.00 C ATOM 1579 CE2 PHE A 99 0.258 13.820 -4.506 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.827 13.090 -5.502 1.00 0.00 C ATOM 0 H PHE A 99 0.740 10.229 0.534 1.00 0.00 H new ATOM 0 HA PHE A 99 2.637 11.201 -1.187 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.255 10.374 -1.615 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.342 11.912 -1.024 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.549 10.297 -3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.304 13.855 -2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.743 11.257 -6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.110 14.815 -4.709 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.911 13.505 -6.496 1.00 0.00 H new ATOM 1590 N GLN A 100 1.219 13.619 0.514 1.00 0.00 N ATOM 1591 CA GLN A 100 1.333 15.023 0.868 1.00 0.00 C ATOM 1592 C GLN A 100 2.598 15.262 1.694 1.00 0.00 C ATOM 1593 O GLN A 100 3.193 16.336 1.629 1.00 0.00 O ATOM 1594 CB GLN A 100 0.089 15.501 1.620 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.188 15.019 0.930 1.00 0.00 C ATOM 1596 CD GLN A 100 -2.043 16.201 0.470 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -2.223 16.448 -0.711 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -2.559 16.916 1.466 1.00 0.00 N ATOM 0 H GLN A 100 0.514 13.103 1.040 1.00 0.00 H new ATOM 0 HA GLN A 100 1.408 15.604 -0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.115 15.131 2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.088 16.590 1.674 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.930 14.397 0.073 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.762 14.395 1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.369 16.655 2.433 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.145 17.726 1.262 1.00 0.00 H new ATOM 1607 N GLU A 101 2.973 14.241 2.452 1.00 0.00 N ATOM 1608 CA GLU A 101 4.157 14.327 3.290 1.00 0.00 C ATOM 1609 C GLU A 101 5.421 14.224 2.434 1.00 0.00 C ATOM 1610 O GLU A 101 6.291 15.091 2.499 1.00 0.00 O ATOM 1611 CB GLU A 101 4.140 13.248 4.374 1.00 0.00 C ATOM 1612 CG GLU A 101 2.741 13.095 4.974 1.00 0.00 C ATOM 1613 CD GLU A 101 2.817 12.802 6.474 1.00 0.00 C ATOM 1614 OE1 GLU A 101 3.042 13.770 7.231 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.647 11.615 6.829 1.00 0.00 O ATOM 0 H GLU A 101 2.478 13.351 2.503 1.00 0.00 H new ATOM 0 HA GLU A 101 4.157 15.297 3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.464 12.297 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.850 13.506 5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.168 14.007 4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.211 12.288 4.469 1.00 0.00 H new ATOM 1622 N LEU A 102 5.482 13.157 1.651 1.00 0.00 N ATOM 1623 CA LEU A 102 6.626 12.929 0.784 1.00 0.00 C ATOM 1624 C LEU A 102 7.034 14.251 0.129 1.00 0.00 C ATOM 1625 O LEU A 102 8.131 14.754 0.369 1.00 0.00 O ATOM 1626 CB LEU A 102 6.324 11.814 -0.219 1.00 0.00 C ATOM 1627 CG LEU A 102 6.787 10.411 0.179 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.232 10.018 1.550 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.427 9.388 -0.900 1.00 0.00 C ATOM 0 H LEU A 102 4.758 12.441 1.599 1.00 0.00 H new ATOM 0 HA LEU A 102 7.481 12.582 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.247 11.786 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.789 12.072 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 102 7.874 10.421 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.576 9.017 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.581 10.727 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.143 10.030 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.767 8.399 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.346 9.372 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.911 9.662 -1.837 1.00 0.00 H new ATOM 1641 N LYS A 103 6.130 14.775 -0.685 1.00 0.00 N ATOM 1642 CA LYS A 103 6.382 16.028 -1.376 1.00 0.00 C ATOM 1643 C LYS A 103 6.797 17.092 -0.358 1.00 0.00 C ATOM 1644 O LYS A 103 7.621 17.955 -0.658 1.00 0.00 O ATOM 1645 CB LYS A 103 5.172 16.426 -2.223 1.00 0.00 C ATOM 1646 CG LYS A 103 3.912 16.536 -1.362 1.00 0.00 C ATOM 1647 CD LYS A 103 2.650 16.452 -2.223 1.00 0.00 C ATOM 1648 CE LYS A 103 1.777 17.694 -2.038 1.00 0.00 C ATOM 1649 NZ LYS A 103 2.436 18.883 -2.625 1.00 0.00 N ATOM 0 H LYS A 103 5.222 14.355 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 103 7.209 15.917 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.365 17.380 -2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 103 5.016 15.688 -3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.904 15.738 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.922 17.479 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.927 16.351 -3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.082 15.561 -1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.807 17.538 -2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.591 17.861 -0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.782 19.691 -2.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.291 19.111 -2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.698 18.683 -3.611 1.00 0.00 H new