USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 798 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 80 CYS SG : rot -67:sc= -0.612 USER MOD Set 1.2: A 82 THR OG1 : rot 143:sc= 0.322 USER MOD Set 2.1: A 65 TYR OH : rot 50:sc= -0.111 USER MOD Set 2.2: A 102 GLN : amide:sc= -2.53 K(o=-6.4,f=-2.9) USER MOD Set 2.3: B 13 ASN : amide:sc= -3.72 K(o=-6.4,f=-10!) USER MOD Set 3.1: A 17 HIS : no HD1:sc= -3.96! C(o=-3.7!,f=-8.6!) USER MOD Set 3.2: A 19 THR OG1 : rot 13:sc= 0.225 USER MOD Single : A 16 ASN : amide:sc= -1.3 K(o=-1.3,f=-5.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.521 K(o=-0.52,f=0.65) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -172:sc= -3.05! (180deg=-3.2!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 42 GLN : amide:sc= -0.0973 K(o=-0.097,f=-2.3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 160:sc= -1 USER MOD Single : A 61 CYS SG : rot 180:sc= -1.95 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 70 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.3!) USER MOD Single : A 73 SER OG : rot 27:sc= -0.185 USER MOD Single : A 76 SER OG : rot 150:sc= 0.0174 USER MOD Single : A 81 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.14) USER MOD Single : A 84 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 62:sc= 1.42 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.1!) USER MOD Single : A 105 MET CE :methyl -112:sc= -0.746 (180deg=-4.07!) USER MOD Single : B 6 HIS : no HD1:sc= 0 X(o=0,f=-9.7e-05) USER MOD Single : B 9 CYS SG : rot 94:sc= 0.446 USER MOD Single : B 11 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.37) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 16.715 12.622 -6.534 1.00 0.00 N ATOM 163 CA PRO A 14 15.827 12.575 -7.699 1.00 0.00 C ATOM 164 C PRO A 14 14.465 11.975 -7.365 1.00 0.00 C ATOM 165 O PRO A 14 14.286 11.365 -6.311 1.00 0.00 O ATOM 166 CB PRO A 14 16.580 11.676 -8.683 1.00 0.00 C ATOM 167 CG PRO A 14 17.447 10.820 -7.827 1.00 0.00 C ATOM 168 CD PRO A 14 17.832 11.668 -6.647 1.00 0.00 C ATOM 0 HA PRO A 14 15.612 13.570 -8.088 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.891 11.074 -9.276 1.00 0.00 H new ATOM 0 HB3 PRO A 14 17.173 12.265 -9.383 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.916 9.924 -7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 14 18.330 10.489 -8.374 1.00 0.00 H new ATOM 0 HD2 PRO A 14 17.943 11.071 -5.742 1.00 0.00 H new ATOM 0 HD3 PRO A 14 18.781 12.178 -6.811 1.00 0.00 H new ATOM 176 N ASP A 15 13.508 12.151 -8.270 1.00 0.00 N ATOM 177 CA ASP A 15 12.162 11.626 -8.072 1.00 0.00 C ATOM 178 C ASP A 15 12.070 10.177 -8.541 1.00 0.00 C ATOM 179 O ASP A 15 10.999 9.573 -8.513 1.00 0.00 O ATOM 180 CB ASP A 15 11.142 12.484 -8.822 1.00 0.00 C ATOM 181 CG ASP A 15 9.733 11.934 -8.714 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.247 11.765 -7.576 1.00 0.00 O ATOM 183 OD2 ASP A 15 9.116 11.674 -9.768 1.00 0.00 O ATOM 0 H ASP A 15 13.640 12.653 -9.148 1.00 0.00 H new ATOM 0 HA ASP A 15 11.938 11.659 -7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.164 13.499 -8.426 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.426 12.545 -9.873 1.00 0.00 H new ATOM 188 N ASN A 16 13.201 9.627 -8.972 1.00 0.00 N ATOM 189 CA ASN A 16 13.247 8.250 -9.448 1.00 0.00 C ATOM 190 C ASN A 16 14.411 7.494 -8.814 1.00 0.00 C ATOM 191 O ASN A 16 14.982 6.587 -9.422 1.00 0.00 O ATOM 192 CB ASN A 16 13.375 8.219 -10.973 1.00 0.00 C ATOM 193 CG ASN A 16 14.418 9.193 -11.485 1.00 0.00 C ATOM 194 OD1 ASN A 16 15.343 9.567 -10.763 1.00 0.00 O ATOM 195 ND2 ASN A 16 14.273 9.611 -12.737 1.00 0.00 N ATOM 0 H ASN A 16 14.097 10.114 -9.001 1.00 0.00 H new ATOM 0 HA ASN A 16 12.317 7.761 -9.158 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.636 7.210 -11.293 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.410 8.456 -11.421 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.943 10.268 -13.136 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.491 9.275 -13.300 1.00 0.00 H new ATOM 202 N HIS A 17 14.758 7.872 -7.588 1.00 0.00 N ATOM 203 CA HIS A 17 15.852 7.229 -6.870 1.00 0.00 C ATOM 204 C HIS A 17 15.521 5.772 -6.566 1.00 0.00 C ATOM 205 O HIS A 17 14.388 5.424 -6.232 1.00 0.00 O ATOM 206 CB HIS A 17 16.149 7.979 -5.571 1.00 0.00 C ATOM 207 CG HIS A 17 17.589 7.926 -5.164 1.00 0.00 C ATOM 208 ND1 HIS A 17 18.016 7.366 -3.979 1.00 0.00 N ATOM 209 CD2 HIS A 17 18.704 8.367 -5.794 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.331 7.466 -3.896 1.00 0.00 C ATOM 211 NE2 HIS A 17 19.773 8.069 -4.985 1.00 0.00 N ATOM 0 H HIS A 17 14.297 8.621 -7.071 1.00 0.00 H new ATOM 0 HA HIS A 17 16.736 7.257 -7.507 1.00 0.00 H new ATOM 0 HB2 HIS A 17 15.851 9.021 -5.687 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.538 7.560 -4.771 1.00 0.00 H new ATOM 0 HD2 HIS A 17 18.745 8.861 -6.754 1.00 0.00 H new ATOM 0 HE1 HIS A 17 19.941 7.114 -3.077 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.750 8.279 -5.191 1.00 0.00 H new ATOM 220 N PRO A 18 16.531 4.897 -6.683 1.00 0.00 N ATOM 221 CA PRO A 18 16.371 3.463 -6.425 1.00 0.00 C ATOM 222 C PRO A 18 16.151 3.161 -4.946 1.00 0.00 C ATOM 223 O PRO A 18 15.410 2.244 -4.592 1.00 0.00 O ATOM 224 CB PRO A 18 17.697 2.866 -6.901 1.00 0.00 C ATOM 225 CG PRO A 18 18.677 3.982 -6.787 1.00 0.00 C ATOM 226 CD PRO A 18 17.908 5.241 -7.076 1.00 0.00 C ATOM 0 HA PRO A 18 15.497 3.053 -6.932 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.992 2.016 -6.286 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.624 2.507 -7.927 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.117 4.014 -5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.497 3.855 -7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.290 6.086 -6.503 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.969 5.516 -8.129 1.00 0.00 H new ATOM 234 N THR A 19 16.801 3.939 -4.085 1.00 0.00 N ATOM 235 CA THR A 19 16.677 3.754 -2.645 1.00 0.00 C ATOM 236 C THR A 19 15.687 4.747 -2.046 1.00 0.00 C ATOM 237 O THR A 19 15.125 4.510 -0.977 1.00 0.00 O ATOM 238 CB THR A 19 18.037 3.914 -1.940 1.00 0.00 C ATOM 239 OG1 THR A 19 18.662 5.135 -2.352 1.00 0.00 O ATOM 240 CG2 THR A 19 18.951 2.740 -2.254 1.00 0.00 C ATOM 0 H THR A 19 17.418 4.703 -4.361 1.00 0.00 H new ATOM 0 HA THR A 19 16.310 2.740 -2.487 1.00 0.00 H new ATOM 0 HB THR A 19 17.862 3.940 -0.864 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.008 5.695 -2.820 1.00 0.00 H new ATOM 0 HG21 THR A 19 19.905 2.876 -1.745 1.00 0.00 H new ATOM 0 HG22 THR A 19 18.486 1.815 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.118 2.686 -3.330 1.00 0.00 H new ATOM 248 N LYS A 20 15.477 5.859 -2.743 1.00 0.00 N ATOM 249 CA LYS A 20 14.552 6.888 -2.282 1.00 0.00 C ATOM 250 C LYS A 20 13.375 7.031 -3.241 1.00 0.00 C ATOM 251 O LYS A 20 13.480 6.699 -4.422 1.00 0.00 O ATOM 252 CB LYS A 20 15.277 8.228 -2.142 1.00 0.00 C ATOM 253 CG LYS A 20 15.860 8.464 -0.760 1.00 0.00 C ATOM 254 CD LYS A 20 17.310 8.019 -0.682 1.00 0.00 C ATOM 255 CE LYS A 20 17.647 7.455 0.690 1.00 0.00 C ATOM 256 NZ LYS A 20 17.983 8.530 1.664 1.00 0.00 N ATOM 0 H LYS A 20 15.935 6.071 -3.629 1.00 0.00 H new ATOM 0 HA LYS A 20 14.168 6.586 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.079 8.276 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.581 9.034 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.790 9.523 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.272 7.922 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.501 7.264 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.963 8.864 -0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.801 6.878 1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.488 6.767 0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.207 8.105 2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.806 9.065 1.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.171 9.172 1.766 1.00 0.00 H new ATOM 270 N PHE A 21 12.256 7.530 -2.727 1.00 0.00 N ATOM 271 CA PHE A 21 11.059 7.718 -3.538 1.00 0.00 C ATOM 272 C PHE A 21 10.169 8.808 -2.950 1.00 0.00 C ATOM 273 O PHE A 21 9.499 8.600 -1.938 1.00 0.00 O ATOM 274 CB PHE A 21 10.278 6.407 -3.644 1.00 0.00 C ATOM 275 CG PHE A 21 11.096 5.262 -4.170 1.00 0.00 C ATOM 276 CD1 PHE A 21 11.905 4.524 -3.321 1.00 0.00 C ATOM 277 CD2 PHE A 21 11.056 4.925 -5.513 1.00 0.00 C ATOM 278 CE1 PHE A 21 12.659 3.470 -3.802 1.00 0.00 C ATOM 279 CE2 PHE A 21 11.807 3.871 -6.000 1.00 0.00 C ATOM 280 CZ PHE A 21 12.610 3.144 -5.143 1.00 0.00 C ATOM 0 H PHE A 21 12.153 7.812 -1.752 1.00 0.00 H new ATOM 0 HA PHE A 21 11.371 8.028 -4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.890 6.144 -2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.417 6.558 -4.296 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.947 4.775 -2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.431 5.492 -6.187 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.286 2.902 -3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.766 3.617 -7.049 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.199 2.321 -5.521 1.00 0.00 H new ATOM 290 N LYS A 22 10.167 9.972 -3.590 1.00 0.00 N ATOM 291 CA LYS A 22 9.359 11.097 -3.133 1.00 0.00 C ATOM 292 C LYS A 22 7.875 10.743 -3.149 1.00 0.00 C ATOM 293 O LYS A 22 7.288 10.534 -4.210 1.00 0.00 O ATOM 294 CB LYS A 22 9.611 12.324 -4.012 1.00 0.00 C ATOM 295 CG LYS A 22 10.835 13.124 -3.602 1.00 0.00 C ATOM 296 CD LYS A 22 11.418 13.893 -4.776 1.00 0.00 C ATOM 297 CE LYS A 22 12.791 14.457 -4.447 1.00 0.00 C ATOM 298 NZ LYS A 22 12.699 15.767 -3.745 1.00 0.00 N ATOM 0 H LYS A 22 10.717 10.162 -4.428 1.00 0.00 H new ATOM 0 HA LYS A 22 9.649 11.327 -2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.728 12.002 -5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.735 12.972 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.566 13.820 -2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.590 12.452 -3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.492 13.235 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.746 14.706 -5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.335 13.748 -3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.364 14.577 -5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.656 16.118 -3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.202 16.451 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.174 15.648 -2.855 1.00 0.00 H new ATOM 312 N VAL A 23 7.274 10.679 -1.965 1.00 0.00 N ATOM 313 CA VAL A 23 5.858 10.353 -1.843 1.00 0.00 C ATOM 314 C VAL A 23 5.052 11.565 -1.389 1.00 0.00 C ATOM 315 O VAL A 23 5.610 12.548 -0.899 1.00 0.00 O ATOM 316 CB VAL A 23 5.631 9.198 -0.851 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.302 7.927 -1.348 1.00 0.00 C ATOM 318 CG2 VAL A 23 6.143 9.575 0.531 1.00 0.00 C ATOM 0 H VAL A 23 7.746 10.849 -1.077 1.00 0.00 H new ATOM 0 HA VAL A 23 5.518 10.044 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 23 4.560 9.010 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.131 7.122 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.884 7.649 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.374 8.098 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.975 8.747 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.210 9.791 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.612 10.457 0.888 1.00 0.00 H new ATOM 328 N THR A 24 3.735 11.490 -1.554 1.00 0.00 N ATOM 329 CA THR A 24 2.852 12.580 -1.162 1.00 0.00 C ATOM 330 C THR A 24 1.670 12.065 -0.348 1.00 0.00 C ATOM 331 O THR A 24 0.700 11.551 -0.902 1.00 0.00 O ATOM 332 CB THR A 24 2.321 13.343 -2.390 1.00 0.00 C ATOM 333 OG1 THR A 24 3.395 14.029 -3.042 1.00 0.00 O ATOM 334 CG2 THR A 24 1.246 14.340 -1.985 1.00 0.00 C ATOM 0 H THR A 24 3.257 10.684 -1.957 1.00 0.00 H new ATOM 0 HA THR A 24 3.443 13.260 -0.549 1.00 0.00 H new ATOM 0 HB THR A 24 1.882 12.620 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.050 14.510 -3.823 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.886 14.867 -2.869 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.417 13.810 -1.516 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.663 15.058 -1.279 1.00 0.00 H new ATOM 342 N ASN A 25 1.759 12.206 0.971 1.00 0.00 N ATOM 343 CA ASN A 25 0.696 11.755 1.862 1.00 0.00 C ATOM 344 C ASN A 25 -0.649 12.342 1.445 1.00 0.00 C ATOM 345 O ASN A 25 -0.832 13.559 1.436 1.00 0.00 O ATOM 346 CB ASN A 25 1.011 12.148 3.306 1.00 0.00 C ATOM 347 CG ASN A 25 0.075 11.492 4.302 1.00 0.00 C ATOM 348 OD1 ASN A 25 -0.468 12.151 5.188 1.00 0.00 O ATOM 349 ND2 ASN A 25 -0.118 10.186 4.159 1.00 0.00 N ATOM 0 H ASN A 25 2.556 12.629 1.446 1.00 0.00 H new ATOM 0 HA ASN A 25 0.635 10.669 1.793 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.039 11.869 3.539 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.944 13.231 3.408 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.738 9.689 4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.353 9.680 3.409 1.00 0.00 H new ATOM 356 N VAL A 26 -1.588 11.467 1.099 1.00 0.00 N ATOM 357 CA VAL A 26 -2.918 11.897 0.682 1.00 0.00 C ATOM 358 C VAL A 26 -3.983 11.412 1.659 1.00 0.00 C ATOM 359 O VAL A 26 -3.687 10.684 2.606 1.00 0.00 O ATOM 360 CB VAL A 26 -3.258 11.382 -0.729 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.263 11.919 -1.747 1.00 0.00 C ATOM 362 CG2 VAL A 26 -3.285 9.861 -0.748 1.00 0.00 C ATOM 0 H VAL A 26 -1.452 10.456 1.099 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.909 12.987 0.670 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.250 11.744 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.519 11.545 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.298 13.008 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.258 11.589 -1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.527 9.514 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.308 9.476 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.040 9.502 -0.049 1.00 0.00 H new ATOM 372 N ASP A 27 -5.225 11.821 1.422 1.00 0.00 N ATOM 373 CA ASP A 27 -6.336 11.427 2.279 1.00 0.00 C ATOM 374 C ASP A 27 -7.241 10.425 1.570 1.00 0.00 C ATOM 375 O ASP A 27 -7.007 10.071 0.414 1.00 0.00 O ATOM 376 CB ASP A 27 -7.145 12.656 2.698 1.00 0.00 C ATOM 377 CG ASP A 27 -8.158 13.068 1.648 1.00 0.00 C ATOM 378 OD1 ASP A 27 -7.835 12.976 0.445 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.272 13.484 2.028 1.00 0.00 O ATOM 0 H ASP A 27 -5.487 12.425 0.643 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.925 10.951 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.662 12.445 3.634 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.466 13.487 2.889 1.00 0.00 H new ATOM 384 N ASP A 28 -8.275 9.970 2.270 1.00 0.00 N ATOM 385 CA ASP A 28 -9.215 9.008 1.707 1.00 0.00 C ATOM 386 C ASP A 28 -9.604 9.396 0.284 1.00 0.00 C ATOM 387 O ASP A 28 -9.679 8.546 -0.602 1.00 0.00 O ATOM 388 CB ASP A 28 -10.466 8.913 2.583 1.00 0.00 C ATOM 389 CG ASP A 28 -11.349 7.740 2.206 1.00 0.00 C ATOM 390 OD1 ASP A 28 -10.815 6.623 2.046 1.00 0.00 O ATOM 391 OD2 ASP A 28 -12.575 7.939 2.070 1.00 0.00 O ATOM 0 H ASP A 28 -8.483 10.252 3.228 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.726 8.034 1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.168 8.819 3.627 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.038 9.837 2.496 1.00 0.00 H new ATOM 396 N GLU A 29 -9.851 10.686 0.074 1.00 0.00 N ATOM 397 CA GLU A 29 -10.234 11.185 -1.241 1.00 0.00 C ATOM 398 C GLU A 29 -9.074 11.069 -2.226 1.00 0.00 C ATOM 399 O GLU A 29 -9.278 10.839 -3.417 1.00 0.00 O ATOM 400 CB GLU A 29 -10.692 12.642 -1.144 1.00 0.00 C ATOM 401 CG GLU A 29 -11.681 12.896 -0.019 1.00 0.00 C ATOM 402 CD GLU A 29 -12.589 14.078 -0.296 1.00 0.00 C ATOM 403 OE1 GLU A 29 -13.289 14.059 -1.330 1.00 0.00 O ATOM 404 OE2 GLU A 29 -12.599 15.022 0.522 1.00 0.00 O ATOM 0 H GLU A 29 -9.793 11.403 0.797 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.060 10.575 -1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.820 13.279 -1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.148 12.934 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.289 12.004 0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.134 13.072 0.907 1.00 0.00 H new ATOM 411 N GLY A 30 -7.856 11.231 -1.718 1.00 0.00 N ATOM 412 CA GLY A 30 -6.681 11.141 -2.566 1.00 0.00 C ATOM 413 C GLY A 30 -5.980 12.476 -2.727 1.00 0.00 C ATOM 414 O GLY A 30 -4.932 12.561 -3.366 1.00 0.00 O ATOM 0 H GLY A 30 -7.662 11.423 -0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.985 10.417 -2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.972 10.766 -3.547 1.00 0.00 H new ATOM 418 N VAL A 31 -6.561 13.522 -2.148 1.00 0.00 N ATOM 419 CA VAL A 31 -5.986 14.859 -2.231 1.00 0.00 C ATOM 420 C VAL A 31 -4.575 14.887 -1.655 1.00 0.00 C ATOM 421 O VAL A 31 -4.155 13.955 -0.970 1.00 0.00 O ATOM 422 CB VAL A 31 -6.854 15.891 -1.486 1.00 0.00 C ATOM 423 CG1 VAL A 31 -8.288 15.845 -1.990 1.00 0.00 C ATOM 424 CG2 VAL A 31 -6.799 15.648 0.014 1.00 0.00 C ATOM 0 H VAL A 31 -7.430 13.469 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.949 15.122 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.457 16.886 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.886 16.581 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.306 16.071 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.701 14.850 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.418 16.386 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.171 14.647 0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.769 15.736 0.359 1.00 0.00 H new ATOM 434 N GLU A 32 -3.848 15.964 -1.937 1.00 0.00 N ATOM 435 CA GLU A 32 -2.483 16.113 -1.446 1.00 0.00 C ATOM 436 C GLU A 32 -2.451 16.956 -0.174 1.00 0.00 C ATOM 437 O GLU A 32 -2.772 18.146 -0.197 1.00 0.00 O ATOM 438 CB GLU A 32 -1.599 16.753 -2.518 1.00 0.00 C ATOM 439 CG GLU A 32 -1.580 15.985 -3.829 1.00 0.00 C ATOM 440 CD GLU A 32 -0.951 16.776 -4.959 1.00 0.00 C ATOM 441 OE1 GLU A 32 -0.022 17.566 -4.685 1.00 0.00 O ATOM 442 OE2 GLU A 32 -1.387 16.607 -6.117 1.00 0.00 O ATOM 0 H GLU A 32 -4.181 16.745 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.098 15.120 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.948 17.768 -2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.580 16.832 -2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.030 15.054 -3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.600 15.716 -4.103 1.00 0.00 H new ATOM 449 N LEU A 33 -2.063 16.333 0.932 1.00 0.00 N ATOM 450 CA LEU A 33 -1.989 17.025 2.215 1.00 0.00 C ATOM 451 C LEU A 33 -0.579 17.548 2.471 1.00 0.00 C ATOM 452 O LEU A 33 -0.384 18.733 2.735 1.00 0.00 O ATOM 453 CB LEU A 33 -2.412 16.088 3.347 1.00 0.00 C ATOM 454 CG LEU A 33 -3.630 15.206 3.070 1.00 0.00 C ATOM 455 CD1 LEU A 33 -3.859 14.236 4.218 1.00 0.00 C ATOM 456 CD2 LEU A 33 -4.866 16.062 2.838 1.00 0.00 C ATOM 0 H LEU A 33 -1.794 15.350 0.967 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.671 17.875 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.569 15.442 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.618 16.690 4.232 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.438 14.628 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.730 13.617 4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.982 13.600 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.030 14.795 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.723 15.418 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.061 16.667 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.700 16.716 1.982 1.00 0.00 H new ATOM 468 N GLY A 34 0.402 16.654 2.389 1.00 0.00 N ATOM 469 CA GLY A 34 1.782 17.044 2.612 1.00 0.00 C ATOM 470 C GLY A 34 2.759 16.198 1.821 1.00 0.00 C ATOM 471 O GLY A 34 2.470 15.048 1.492 1.00 0.00 O ATOM 0 H GLY A 34 0.265 15.667 2.172 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.909 18.091 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.012 16.962 3.674 1.00 0.00 H new ATOM 475 N SER A 35 3.920 16.768 1.515 1.00 0.00 N ATOM 476 CA SER A 35 4.942 16.060 0.753 1.00 0.00 C ATOM 477 C SER A 35 5.947 15.389 1.684 1.00 0.00 C ATOM 478 O SER A 35 6.241 15.895 2.766 1.00 0.00 O ATOM 479 CB SER A 35 5.666 17.024 -0.189 1.00 0.00 C ATOM 480 OG SER A 35 6.571 17.849 0.524 1.00 0.00 O ATOM 0 H SER A 35 4.176 17.718 1.783 1.00 0.00 H new ATOM 0 HA SER A 35 4.449 15.288 0.162 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.205 16.459 -0.949 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.937 17.644 -0.711 1.00 0.00 H new ATOM 0 HG SER A 35 7.022 18.455 -0.100 1.00 0.00 H new ATOM 486 N GLY A 36 6.472 14.246 1.254 1.00 0.00 N ATOM 487 CA GLY A 36 7.439 13.523 2.060 1.00 0.00 C ATOM 488 C GLY A 36 8.283 12.570 1.238 1.00 0.00 C ATOM 489 O GLY A 36 7.959 12.279 0.086 1.00 0.00 O ATOM 0 H GLY A 36 6.245 13.807 0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.090 14.235 2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.915 12.963 2.835 1.00 0.00 H new ATOM 493 N VAL A 37 9.369 12.083 1.829 1.00 0.00 N ATOM 494 CA VAL A 37 10.263 11.157 1.143 1.00 0.00 C ATOM 495 C VAL A 37 10.384 9.843 1.907 1.00 0.00 C ATOM 496 O VAL A 37 10.758 9.828 3.079 1.00 0.00 O ATOM 497 CB VAL A 37 11.666 11.764 0.960 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.617 10.739 0.361 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.598 13.012 0.093 1.00 0.00 C ATOM 0 H VAL A 37 9.651 12.314 2.781 1.00 0.00 H new ATOM 0 HA VAL A 37 9.828 10.964 0.162 1.00 0.00 H new ATOM 0 HB VAL A 37 12.049 12.051 1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.604 11.186 0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.688 9.877 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.241 10.418 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.599 13.428 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.194 12.753 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.952 13.751 0.568 1.00 0.00 H new ATOM 509 N MET A 38 10.066 8.743 1.234 1.00 0.00 N ATOM 510 CA MET A 38 10.141 7.422 1.850 1.00 0.00 C ATOM 511 C MET A 38 11.486 6.764 1.561 1.00 0.00 C ATOM 512 O MET A 38 12.006 6.856 0.449 1.00 0.00 O ATOM 513 CB MET A 38 9.005 6.533 1.340 1.00 0.00 C ATOM 514 CG MET A 38 8.775 5.295 2.191 1.00 0.00 C ATOM 515 SD MET A 38 8.111 5.686 3.821 1.00 0.00 S ATOM 516 CE MET A 38 6.366 5.843 3.447 1.00 0.00 C ATOM 0 H MET A 38 9.754 8.739 0.263 1.00 0.00 H new ATOM 0 HA MET A 38 10.040 7.545 2.928 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.085 7.117 1.306 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.226 6.226 0.318 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.087 4.626 1.674 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.716 4.758 2.306 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.839 6.222 4.323 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.233 6.535 2.616 1.00 0.00 H new ATOM 0 HE3 MET A 38 5.963 4.867 3.175 1.00 0.00 H new ATOM 526 N GLU A 39 12.044 6.101 2.569 1.00 0.00 N ATOM 527 CA GLU A 39 13.330 5.428 2.421 1.00 0.00 C ATOM 528 C GLU A 39 13.195 3.932 2.690 1.00 0.00 C ATOM 529 O GLU A 39 12.588 3.519 3.679 1.00 0.00 O ATOM 530 CB GLU A 39 14.361 6.038 3.373 1.00 0.00 C ATOM 531 CG GLU A 39 15.674 5.273 3.419 1.00 0.00 C ATOM 532 CD GLU A 39 16.397 5.434 4.742 1.00 0.00 C ATOM 533 OE1 GLU A 39 15.724 5.406 5.793 1.00 0.00 O ATOM 534 OE2 GLU A 39 17.636 5.588 4.725 1.00 0.00 O ATOM 0 H GLU A 39 11.627 6.015 3.496 1.00 0.00 H new ATOM 0 HA GLU A 39 13.668 5.565 1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.559 7.066 3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.938 6.078 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.480 4.215 3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.320 5.619 2.612 1.00 0.00 H new ATOM 541 N LEU A 40 13.765 3.124 1.802 1.00 0.00 N ATOM 542 CA LEU A 40 13.709 1.673 1.942 1.00 0.00 C ATOM 543 C LEU A 40 15.079 1.108 2.303 1.00 0.00 C ATOM 544 O LEU A 40 15.829 0.664 1.433 1.00 0.00 O ATOM 545 CB LEU A 40 13.208 1.035 0.645 1.00 0.00 C ATOM 546 CG LEU A 40 11.693 1.047 0.434 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.210 2.450 0.105 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.301 0.073 -0.668 1.00 0.00 C ATOM 0 H LEU A 40 14.271 3.449 0.978 1.00 0.00 H new ATOM 0 HA LEU A 40 13.015 1.437 2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.676 1.550 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.551 0.001 0.616 1.00 0.00 H new ATOM 0 HG LEU A 40 11.214 0.729 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.130 2.438 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.457 3.122 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.696 2.798 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.220 0.094 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.790 0.360 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.612 -0.934 -0.391 1.00 0.00 H new ATOM 560 N THR A 41 15.399 1.125 3.593 1.00 0.00 N ATOM 561 CA THR A 41 16.678 0.614 4.071 1.00 0.00 C ATOM 562 C THR A 41 16.485 -0.624 4.940 1.00 0.00 C ATOM 563 O THR A 41 15.556 -0.689 5.744 1.00 0.00 O ATOM 564 CB THR A 41 17.444 1.679 4.877 1.00 0.00 C ATOM 565 OG1 THR A 41 18.294 1.047 5.841 1.00 0.00 O ATOM 566 CG2 THR A 41 16.479 2.620 5.584 1.00 0.00 C ATOM 0 H THR A 41 14.789 1.487 4.326 1.00 0.00 H new ATOM 0 HA THR A 41 17.261 0.349 3.189 1.00 0.00 H new ATOM 0 HB THR A 41 18.052 2.260 4.183 1.00 0.00 H new ATOM 0 HG1 THR A 41 18.779 1.731 6.348 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.043 3.364 6.147 1.00 0.00 H new ATOM 0 HG22 THR A 41 15.853 3.121 4.846 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.849 2.050 6.266 1.00 0.00 H new ATOM 574 N GLN A 42 17.370 -1.602 4.773 1.00 0.00 N ATOM 575 CA GLN A 42 17.295 -2.838 5.544 1.00 0.00 C ATOM 576 C GLN A 42 16.797 -2.567 6.960 1.00 0.00 C ATOM 577 O GLN A 42 16.081 -3.381 7.542 1.00 0.00 O ATOM 578 CB GLN A 42 18.666 -3.515 5.593 1.00 0.00 C ATOM 579 CG GLN A 42 18.942 -4.417 4.401 1.00 0.00 C ATOM 580 CD GLN A 42 19.536 -3.665 3.226 1.00 0.00 C ATOM 581 OE1 GLN A 42 20.113 -2.590 3.390 1.00 0.00 O ATOM 582 NE2 GLN A 42 19.396 -4.228 2.031 1.00 0.00 N ATOM 0 H GLN A 42 18.146 -1.563 4.112 1.00 0.00 H new ATOM 0 HA GLN A 42 16.586 -3.503 5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.439 -2.748 5.644 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.739 -4.103 6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 42 19.625 -5.212 4.702 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.014 -4.896 4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.910 -5.120 1.941 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.774 -3.768 1.203 1.00 0.00 H new ATOM 591 N SER A 43 17.182 -1.419 7.508 1.00 0.00 N ATOM 592 CA SER A 43 16.778 -1.043 8.857 1.00 0.00 C ATOM 593 C SER A 43 15.257 -0.983 8.972 1.00 0.00 C ATOM 594 O SER A 43 14.639 -1.833 9.612 1.00 0.00 O ATOM 595 CB SER A 43 17.383 0.310 9.235 1.00 0.00 C ATOM 596 OG SER A 43 17.217 0.575 10.618 1.00 0.00 O ATOM 0 H SER A 43 17.773 -0.733 7.038 1.00 0.00 H new ATOM 0 HA SER A 43 17.147 -1.803 9.545 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.444 0.320 8.984 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.910 1.099 8.651 1.00 0.00 H new ATOM 0 HG SER A 43 17.614 1.445 10.834 1.00 0.00 H new ATOM 602 N GLU A 44 14.663 0.029 8.348 1.00 0.00 N ATOM 603 CA GLU A 44 13.215 0.201 8.381 1.00 0.00 C ATOM 604 C GLU A 44 12.783 1.354 7.480 1.00 0.00 C ATOM 605 O GLU A 44 13.615 2.012 6.853 1.00 0.00 O ATOM 606 CB GLU A 44 12.741 0.454 9.814 1.00 0.00 C ATOM 607 CG GLU A 44 13.003 1.869 10.300 1.00 0.00 C ATOM 608 CD GLU A 44 13.180 1.945 11.804 1.00 0.00 C ATOM 609 OE1 GLU A 44 13.447 0.894 12.424 1.00 0.00 O ATOM 610 OE2 GLU A 44 13.050 3.055 12.362 1.00 0.00 O ATOM 0 H GLU A 44 15.161 0.741 7.814 1.00 0.00 H new ATOM 0 HA GLU A 44 12.758 -0.717 8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.672 0.250 9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.239 -0.249 10.482 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.897 2.257 9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.174 2.511 10.002 1.00 0.00 H new ATOM 617 N LEU A 45 11.478 1.593 7.419 1.00 0.00 N ATOM 618 CA LEU A 45 10.934 2.667 6.595 1.00 0.00 C ATOM 619 C LEU A 45 10.875 3.976 7.375 1.00 0.00 C ATOM 620 O LEU A 45 10.275 4.045 8.448 1.00 0.00 O ATOM 621 CB LEU A 45 9.538 2.294 6.094 1.00 0.00 C ATOM 622 CG LEU A 45 9.479 1.561 4.753 1.00 0.00 C ATOM 623 CD1 LEU A 45 8.085 1.003 4.511 1.00 0.00 C ATOM 624 CD2 LEU A 45 9.887 2.490 3.619 1.00 0.00 C ATOM 0 H LEU A 45 10.776 1.058 7.930 1.00 0.00 H new ATOM 0 HA LEU A 45 11.595 2.806 5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.058 1.670 6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.947 3.206 6.013 1.00 0.00 H new ATOM 0 HG LEU A 45 10.182 0.728 4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.062 0.485 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.830 0.304 5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.363 1.820 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.839 1.952 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.209 3.343 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.905 2.842 3.785 1.00 0.00 H new ATOM 636 N VAL A 46 11.499 5.014 6.828 1.00 0.00 N ATOM 637 CA VAL A 46 11.514 6.323 7.471 1.00 0.00 C ATOM 638 C VAL A 46 11.019 7.408 6.521 1.00 0.00 C ATOM 639 O VAL A 46 11.456 7.489 5.373 1.00 0.00 O ATOM 640 CB VAL A 46 12.927 6.691 7.961 1.00 0.00 C ATOM 641 CG1 VAL A 46 12.964 8.130 8.453 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.377 5.734 9.055 1.00 0.00 C ATOM 0 H VAL A 46 12.001 4.974 5.941 1.00 0.00 H new ATOM 0 HA VAL A 46 10.844 6.262 8.329 1.00 0.00 H new ATOM 0 HB VAL A 46 13.618 6.601 7.123 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.970 8.372 8.795 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.687 8.800 7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.262 8.251 9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.377 6.008 9.390 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.685 5.791 9.895 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.391 4.716 8.665 1.00 0.00 H new ATOM 652 N LEU A 47 10.105 8.240 7.008 1.00 0.00 N ATOM 653 CA LEU A 47 9.550 9.322 6.203 1.00 0.00 C ATOM 654 C LEU A 47 10.202 10.655 6.557 1.00 0.00 C ATOM 655 O LEU A 47 10.480 10.931 7.724 1.00 0.00 O ATOM 656 CB LEU A 47 8.037 9.412 6.407 1.00 0.00 C ATOM 657 CG LEU A 47 7.185 8.492 5.531 1.00 0.00 C ATOM 658 CD1 LEU A 47 5.726 8.551 5.956 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.332 8.867 4.064 1.00 0.00 C ATOM 0 H LEU A 47 9.733 8.186 7.956 1.00 0.00 H new ATOM 0 HA LEU A 47 9.757 9.104 5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.818 9.191 7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.727 10.441 6.227 1.00 0.00 H new ATOM 0 HG LEU A 47 7.538 7.469 5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.135 7.890 5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.636 8.233 6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.359 9.573 5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.719 8.202 3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.006 9.897 3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.376 8.771 3.767 1.00 0.00 H new ATOM 671 N HIS A 48 10.443 11.478 5.542 1.00 0.00 N ATOM 672 CA HIS A 48 11.060 12.784 5.746 1.00 0.00 C ATOM 673 C HIS A 48 10.098 13.905 5.367 1.00 0.00 C ATOM 674 O HIS A 48 9.366 13.803 4.382 1.00 0.00 O ATOM 675 CB HIS A 48 12.345 12.899 4.925 1.00 0.00 C ATOM 676 CG HIS A 48 13.381 11.880 5.287 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.347 12.097 6.247 1.00 0.00 N ATOM 678 CD2 HIS A 48 13.597 10.630 4.814 1.00 0.00 C ATOM 679 CE1 HIS A 48 15.114 11.026 6.347 1.00 0.00 C ATOM 680 NE2 HIS A 48 14.679 10.121 5.489 1.00 0.00 N ATOM 0 H HIS A 48 10.221 11.264 4.570 1.00 0.00 H new ATOM 0 HA HIS A 48 11.304 12.881 6.804 1.00 0.00 H new ATOM 0 HB2 HIS A 48 12.101 12.797 3.868 1.00 0.00 H new ATOM 0 HB3 HIS A 48 12.765 13.896 5.061 1.00 0.00 H new ATOM 0 HD2 HIS A 48 13.025 10.127 4.048 1.00 0.00 H new ATOM 0 HE1 HIS A 48 15.954 10.910 7.016 1.00 0.00 H new ATOM 0 HE2 HIS A 48 15.082 9.194 5.350 1.00 0.00 H new ATOM 689 N LEU A 49 10.104 14.975 6.154 1.00 0.00 N ATOM 690 CA LEU A 49 9.231 16.116 5.902 1.00 0.00 C ATOM 691 C LEU A 49 9.852 17.405 6.430 1.00 0.00 C ATOM 692 O LEU A 49 10.982 17.407 6.919 1.00 0.00 O ATOM 693 CB LEU A 49 7.864 15.892 6.551 1.00 0.00 C ATOM 694 CG LEU A 49 7.872 15.164 7.896 1.00 0.00 C ATOM 695 CD1 LEU A 49 6.683 15.593 8.742 1.00 0.00 C ATOM 696 CD2 LEU A 49 7.864 13.657 7.687 1.00 0.00 C ATOM 0 H LEU A 49 10.704 15.076 6.973 1.00 0.00 H new ATOM 0 HA LEU A 49 9.103 16.211 4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.386 16.862 6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.243 15.325 5.857 1.00 0.00 H new ATOM 0 HG LEU A 49 8.785 15.432 8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.705 15.065 9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.733 16.667 8.921 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.758 15.355 8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.870 13.155 8.655 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.968 13.371 7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.748 13.363 7.121 1.00 0.00 H new ATOM 789 N ALA A 54 10.003 13.729 12.285 1.00 0.00 N ATOM 790 CA ALA A 54 9.908 12.633 11.328 1.00 0.00 C ATOM 791 C ALA A 54 9.223 11.420 11.948 1.00 0.00 C ATOM 792 O ALA A 54 8.818 11.450 13.110 1.00 0.00 O ATOM 793 CB ALA A 54 11.291 12.258 10.817 1.00 0.00 C ATOM 0 HA ALA A 54 9.301 12.969 10.487 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.205 11.439 10.103 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.744 13.120 10.327 1.00 0.00 H new ATOM 0 HB3 ALA A 54 11.916 11.946 11.654 1.00 0.00 H new ATOM 799 N VAL A 55 9.097 10.353 11.165 1.00 0.00 N ATOM 800 CA VAL A 55 8.462 9.129 11.638 1.00 0.00 C ATOM 801 C VAL A 55 9.180 7.895 11.103 1.00 0.00 C ATOM 802 O VAL A 55 9.867 7.957 10.083 1.00 0.00 O ATOM 803 CB VAL A 55 6.980 9.068 11.221 1.00 0.00 C ATOM 804 CG1 VAL A 55 6.269 7.931 11.938 1.00 0.00 C ATOM 805 CG2 VAL A 55 6.294 10.397 11.499 1.00 0.00 C ATOM 0 H VAL A 55 9.426 10.312 10.201 1.00 0.00 H new ATOM 0 HA VAL A 55 8.526 9.140 12.726 1.00 0.00 H new ATOM 0 HB VAL A 55 6.930 8.876 10.149 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.224 7.904 11.630 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.747 6.985 11.683 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.326 8.088 13.015 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.248 10.336 11.199 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.353 10.621 12.564 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.789 11.187 10.934 1.00 0.00 H new ATOM 815 N ARG A 56 9.016 6.774 11.798 1.00 0.00 N ATOM 816 CA ARG A 56 9.650 5.525 11.394 1.00 0.00 C ATOM 817 C ARG A 56 8.681 4.354 11.533 1.00 0.00 C ATOM 818 O ARG A 56 7.785 4.374 12.377 1.00 0.00 O ATOM 819 CB ARG A 56 10.902 5.268 12.235 1.00 0.00 C ATOM 820 CG ARG A 56 11.662 6.533 12.597 1.00 0.00 C ATOM 821 CD ARG A 56 12.590 6.305 13.780 1.00 0.00 C ATOM 822 NE ARG A 56 13.743 7.200 13.752 1.00 0.00 N ATOM 823 CZ ARG A 56 14.757 7.120 14.607 1.00 0.00 C ATOM 824 NH1 ARG A 56 14.761 6.189 15.551 1.00 0.00 N ATOM 825 NH2 ARG A 56 15.771 7.971 14.517 1.00 0.00 N ATOM 0 H ARG A 56 8.449 6.705 12.643 1.00 0.00 H new ATOM 0 HA ARG A 56 9.937 5.615 10.346 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.614 4.752 13.151 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.566 4.599 11.688 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.242 6.869 11.737 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.955 7.328 12.835 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.038 6.454 14.708 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.934 5.271 13.777 1.00 0.00 H new ATOM 0 HE ARG A 56 13.772 7.927 13.037 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.984 5.532 15.622 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.541 6.130 16.206 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.773 8.687 13.791 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.549 7.909 15.174 1.00 0.00 H new ATOM 839 N TRP A 57 8.867 3.337 10.700 1.00 0.00 N ATOM 840 CA TRP A 57 8.009 2.158 10.730 1.00 0.00 C ATOM 841 C TRP A 57 8.826 0.886 10.531 1.00 0.00 C ATOM 842 O TRP A 57 9.412 0.655 9.473 1.00 0.00 O ATOM 843 CB TRP A 57 6.930 2.260 9.651 1.00 0.00 C ATOM 844 CG TRP A 57 5.920 3.334 9.920 1.00 0.00 C ATOM 845 CD1 TRP A 57 4.805 3.233 10.702 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.932 4.670 9.406 1.00 0.00 C ATOM 847 NE1 TRP A 57 4.124 4.426 10.706 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.795 5.324 9.919 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.794 5.378 8.565 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.499 6.651 9.615 1.00 0.00 C ATOM 851 CZ3 TRP A 57 6.499 6.695 8.264 1.00 0.00 C ATOM 852 CH2 TRP A 57 5.360 7.320 8.789 1.00 0.00 C ATOM 0 H TRP A 57 9.604 3.305 9.996 1.00 0.00 H new ATOM 0 HA TRP A 57 7.531 2.111 11.708 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.405 2.451 8.689 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.417 1.302 9.568 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.503 2.346 11.238 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.259 4.613 11.213 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.675 4.905 8.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.621 7.134 10.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.158 7.251 7.613 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.158 8.350 8.536 1.00 0.00 H new ATOM 863 N PRO A 58 8.866 0.039 11.570 1.00 0.00 N ATOM 864 CA PRO A 58 9.608 -1.225 11.533 1.00 0.00 C ATOM 865 C PRO A 58 8.966 -2.246 10.600 1.00 0.00 C ATOM 866 O PRO A 58 7.758 -2.480 10.656 1.00 0.00 O ATOM 867 CB PRO A 58 9.549 -1.714 12.982 1.00 0.00 C ATOM 868 CG PRO A 58 8.322 -1.083 13.545 1.00 0.00 C ATOM 869 CD PRO A 58 8.191 0.250 12.862 1.00 0.00 C ATOM 0 HA PRO A 58 10.622 -1.092 11.155 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.493 -2.801 13.031 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.438 -1.415 13.537 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.445 -1.703 13.361 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.406 -0.962 14.625 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.147 0.532 12.728 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.665 1.045 13.438 1.00 0.00 H new ATOM 877 N TYR A 59 9.780 -2.852 9.743 1.00 0.00 N ATOM 878 CA TYR A 59 9.291 -3.847 8.797 1.00 0.00 C ATOM 879 C TYR A 59 8.504 -4.940 9.513 1.00 0.00 C ATOM 880 O TYR A 59 7.688 -5.634 8.905 1.00 0.00 O ATOM 881 CB TYR A 59 10.459 -4.465 8.026 1.00 0.00 C ATOM 882 CG TYR A 59 11.080 -3.529 7.013 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.290 -2.826 6.112 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.456 -3.348 6.959 1.00 0.00 C ATOM 885 CE1 TYR A 59 10.853 -1.970 5.186 1.00 0.00 C ATOM 886 CE2 TYR A 59 13.028 -2.493 6.036 1.00 0.00 C ATOM 887 CZ TYR A 59 12.222 -1.807 5.152 1.00 0.00 C ATOM 888 OH TYR A 59 12.787 -0.954 4.231 1.00 0.00 O ATOM 0 H TYR A 59 10.782 -2.671 9.684 1.00 0.00 H new ATOM 0 HA TYR A 59 8.625 -3.347 8.095 1.00 0.00 H new ATOM 0 HB2 TYR A 59 11.225 -4.780 8.735 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.111 -5.362 7.514 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.218 -2.951 6.136 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.090 -3.884 7.650 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.225 -1.431 4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.100 -2.363 6.007 1.00 0.00 H new ATOM 0 HH TYR A 59 13.687 -0.702 4.527 1.00 0.00 H new ATOM 898 N LEU A 60 8.755 -5.087 10.809 1.00 0.00 N ATOM 899 CA LEU A 60 8.071 -6.095 11.612 1.00 0.00 C ATOM 900 C LEU A 60 6.572 -5.816 11.674 1.00 0.00 C ATOM 901 O LEU A 60 5.778 -6.486 11.012 1.00 0.00 O ATOM 902 CB LEU A 60 8.653 -6.132 13.026 1.00 0.00 C ATOM 903 CG LEU A 60 9.822 -7.094 13.245 1.00 0.00 C ATOM 904 CD1 LEU A 60 9.376 -8.532 13.034 1.00 0.00 C ATOM 905 CD2 LEU A 60 10.977 -6.750 12.317 1.00 0.00 C ATOM 0 H LEU A 60 9.427 -4.521 11.327 1.00 0.00 H new ATOM 0 HA LEU A 60 8.223 -7.065 11.138 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.982 -5.126 13.289 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.855 -6.398 13.719 1.00 0.00 H new ATOM 0 HG LEU A 60 10.166 -6.989 14.274 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.221 -9.202 13.194 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.582 -8.774 13.740 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.005 -8.652 12.016 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.800 -7.445 12.487 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.646 -6.825 11.281 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.314 -5.733 12.517 1.00 0.00 H new ATOM 917 N CYS A 61 6.193 -4.823 12.470 1.00 0.00 N ATOM 918 CA CYS A 61 4.790 -4.454 12.617 1.00 0.00 C ATOM 919 C CYS A 61 4.046 -4.606 11.295 1.00 0.00 C ATOM 920 O CYS A 61 2.997 -5.247 11.230 1.00 0.00 O ATOM 921 CB CYS A 61 4.670 -3.015 13.122 1.00 0.00 C ATOM 922 SG CYS A 61 4.691 -2.861 14.924 1.00 0.00 S ATOM 0 H CYS A 61 6.838 -4.259 13.024 1.00 0.00 H new ATOM 0 HA CYS A 61 4.338 -5.126 13.346 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.489 -2.427 12.708 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.744 -2.584 12.742 1.00 0.00 H new ATOM 0 HG CYS A 61 4.587 -1.608 15.254 1.00 0.00 H new ATOM 928 N LEU A 62 4.595 -4.010 10.242 1.00 0.00 N ATOM 929 CA LEU A 62 3.983 -4.077 8.919 1.00 0.00 C ATOM 930 C LEU A 62 3.306 -5.427 8.700 1.00 0.00 C ATOM 931 O LEU A 62 3.955 -6.404 8.327 1.00 0.00 O ATOM 932 CB LEU A 62 5.036 -3.840 7.836 1.00 0.00 C ATOM 933 CG LEU A 62 5.510 -2.397 7.664 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.610 -2.316 6.617 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.345 -1.494 7.287 1.00 0.00 C ATOM 0 H LEU A 62 5.463 -3.475 10.278 1.00 0.00 H new ATOM 0 HA LEU A 62 3.225 -3.297 8.856 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.903 -4.462 8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.633 -4.185 6.884 1.00 0.00 H new ATOM 0 HG LEU A 62 5.917 -2.054 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.934 -1.281 6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.455 -2.930 6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.231 -2.679 5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.701 -0.471 7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.908 -1.837 6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.590 -1.527 8.073 1.00 0.00 H new ATOM 947 N ARG A 63 1.998 -5.471 8.933 1.00 0.00 N ATOM 948 CA ARG A 63 1.233 -6.700 8.760 1.00 0.00 C ATOM 949 C ARG A 63 0.930 -6.949 7.285 1.00 0.00 C ATOM 950 O ARG A 63 1.079 -8.066 6.790 1.00 0.00 O ATOM 951 CB ARG A 63 -0.071 -6.630 9.555 1.00 0.00 C ATOM 952 CG ARG A 63 -0.667 -5.234 9.626 1.00 0.00 C ATOM 953 CD ARG A 63 -0.174 -4.479 10.850 1.00 0.00 C ATOM 954 NE ARG A 63 -0.941 -4.815 12.047 1.00 0.00 N ATOM 955 CZ ARG A 63 -0.506 -4.601 13.283 1.00 0.00 C ATOM 956 NH1 ARG A 63 0.684 -4.053 13.485 1.00 0.00 N ATOM 957 NH2 ARG A 63 -1.263 -4.934 14.321 1.00 0.00 N ATOM 0 H ARG A 63 1.447 -4.670 9.242 1.00 0.00 H new ATOM 0 HA ARG A 63 1.834 -7.528 9.134 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.799 -7.304 9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.111 -6.990 10.568 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.405 -4.679 8.725 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.755 -5.303 9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.878 -4.708 11.018 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.241 -3.407 10.666 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.862 -5.237 11.927 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.268 -3.795 12.690 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.016 -3.890 14.436 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.180 -5.355 14.170 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.928 -4.769 15.270 1.00 0.00 H new ATOM 971 N ARG A 64 0.503 -5.901 6.589 1.00 0.00 N ATOM 972 CA ARG A 64 0.177 -6.006 5.172 1.00 0.00 C ATOM 973 C ARG A 64 0.767 -4.836 4.390 1.00 0.00 C ATOM 974 O ARG A 64 0.729 -3.691 4.843 1.00 0.00 O ATOM 975 CB ARG A 64 -1.340 -6.049 4.978 1.00 0.00 C ATOM 976 CG ARG A 64 -1.978 -4.675 4.855 1.00 0.00 C ATOM 977 CD ARG A 64 -3.464 -4.777 4.548 1.00 0.00 C ATOM 978 NE ARG A 64 -4.241 -5.164 5.722 1.00 0.00 N ATOM 979 CZ ARG A 64 -5.553 -5.368 5.701 1.00 0.00 C ATOM 980 NH1 ARG A 64 -6.232 -5.223 4.571 1.00 0.00 N ATOM 981 NH2 ARG A 64 -6.189 -5.720 6.811 1.00 0.00 N ATOM 0 H ARG A 64 0.375 -4.969 6.983 1.00 0.00 H new ATOM 0 HA ARG A 64 0.612 -6.931 4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.567 -6.627 4.082 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.791 -6.575 5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.834 -4.121 5.783 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.480 -4.111 4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.824 -3.818 4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.621 -5.506 3.753 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.749 -5.284 6.607 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.746 -4.954 3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.240 -5.380 4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.670 -5.834 7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.197 -5.876 6.794 1.00 0.00 H new ATOM 995 N TYR A 65 1.312 -5.131 3.216 1.00 0.00 N ATOM 996 CA TYR A 65 1.913 -4.105 2.372 1.00 0.00 C ATOM 997 C TYR A 65 1.583 -4.346 0.902 1.00 0.00 C ATOM 998 O TYR A 65 2.098 -5.275 0.283 1.00 0.00 O ATOM 999 CB TYR A 65 3.430 -4.078 2.568 1.00 0.00 C ATOM 1000 CG TYR A 65 4.121 -5.347 2.124 1.00 0.00 C ATOM 1001 CD1 TYR A 65 4.051 -6.504 2.891 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.843 -5.390 0.938 1.00 0.00 C ATOM 1003 CE1 TYR A 65 4.681 -7.666 2.489 1.00 0.00 C ATOM 1004 CE2 TYR A 65 5.475 -6.548 0.528 1.00 0.00 C ATOM 1005 CZ TYR A 65 5.391 -7.683 1.307 1.00 0.00 C ATOM 1006 OH TYR A 65 6.020 -8.839 0.903 1.00 0.00 O ATOM 0 H TYR A 65 1.350 -6.073 2.826 1.00 0.00 H new ATOM 0 HA TYR A 65 1.498 -3.141 2.665 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.844 -3.236 2.014 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.649 -3.905 3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.495 -6.495 3.817 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.911 -4.503 0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.618 -8.556 3.097 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.032 -6.564 -0.397 1.00 0.00 H new ATOM 0 HH TYR A 65 5.391 -9.589 0.954 1.00 0.00 H new ATOM 1016 N GLY A 66 0.720 -3.499 0.350 1.00 0.00 N ATOM 1017 CA GLY A 66 0.335 -3.635 -1.043 1.00 0.00 C ATOM 1018 C GLY A 66 0.746 -2.438 -1.877 1.00 0.00 C ATOM 1019 O GLY A 66 1.595 -1.647 -1.465 1.00 0.00 O ATOM 0 H GLY A 66 0.281 -2.721 0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.790 -4.535 -1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.745 -3.765 -1.107 1.00 0.00 H new ATOM 1023 N TYR A 67 0.144 -2.304 -3.054 1.00 0.00 N ATOM 1024 CA TYR A 67 0.456 -1.198 -3.951 1.00 0.00 C ATOM 1025 C TYR A 67 -0.659 -0.993 -4.972 1.00 0.00 C ATOM 1026 O TYR A 67 -1.560 -1.823 -5.099 1.00 0.00 O ATOM 1027 CB TYR A 67 1.781 -1.455 -4.670 1.00 0.00 C ATOM 1028 CG TYR A 67 1.627 -2.216 -5.968 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.249 -3.552 -5.972 1.00 0.00 C ATOM 1030 CD2 TYR A 67 1.860 -1.597 -7.190 1.00 0.00 C ATOM 1031 CE1 TYR A 67 1.108 -4.252 -7.155 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.721 -2.288 -8.378 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.345 -3.615 -8.355 1.00 0.00 C ATOM 1034 OH TYR A 67 1.205 -4.308 -9.536 1.00 0.00 O ATOM 0 H TYR A 67 -0.563 -2.948 -3.409 1.00 0.00 H new ATOM 0 HA TYR A 67 0.546 -0.292 -3.352 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.266 -0.500 -4.874 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.442 -2.013 -4.007 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.062 -4.053 -5.034 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.155 -0.558 -7.211 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.814 -5.291 -7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.906 -1.792 -9.319 1.00 0.00 H new ATOM 0 HH TYR A 67 1.407 -3.715 -10.289 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.592 0.117 -5.697 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.593 0.432 -6.709 1.00 0.00 C ATOM 1046 C ASP A 68 -1.204 1.683 -7.490 1.00 0.00 C ATOM 1047 O ASP A 68 -0.318 2.433 -7.078 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.963 0.628 -6.058 1.00 0.00 C ATOM 1049 CG ASP A 68 -3.760 -0.660 -5.986 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -3.708 -1.445 -6.956 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.434 -0.883 -4.959 1.00 0.00 O ATOM 0 H ASP A 68 0.146 0.815 -5.603 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.646 -0.406 -7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.830 1.026 -5.052 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.527 1.370 -6.623 1.00 0.00 H new ATOM 1056 N SER A 69 -1.870 1.902 -8.619 1.00 0.00 N ATOM 1057 CA SER A 69 -1.589 3.060 -9.460 1.00 0.00 C ATOM 1058 C SER A 69 -1.290 4.290 -8.608 1.00 0.00 C ATOM 1059 O SER A 69 -2.129 4.734 -7.825 1.00 0.00 O ATOM 1060 CB SER A 69 -2.773 3.342 -10.386 1.00 0.00 C ATOM 1061 OG SER A 69 -3.247 2.149 -10.987 1.00 0.00 O ATOM 0 H SER A 69 -2.608 1.293 -8.973 1.00 0.00 H new ATOM 0 HA SER A 69 -0.710 2.836 -10.064 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.577 3.812 -9.820 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.473 4.048 -11.160 1.00 0.00 H new ATOM 0 HG SER A 69 -4.005 2.356 -11.573 1.00 0.00 H new ATOM 1067 N ASN A 70 -0.089 4.835 -8.768 1.00 0.00 N ATOM 1068 CA ASN A 70 0.323 6.013 -8.014 1.00 0.00 C ATOM 1069 C ASN A 70 -0.306 6.016 -6.623 1.00 0.00 C ATOM 1070 O ASN A 70 -0.767 7.051 -6.141 1.00 0.00 O ATOM 1071 CB ASN A 70 -0.069 7.287 -8.765 1.00 0.00 C ATOM 1072 CG ASN A 70 -1.532 7.297 -9.164 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -1.935 6.612 -10.104 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -2.335 8.076 -8.449 1.00 0.00 N ATOM 0 H ASN A 70 0.616 4.480 -9.413 1.00 0.00 H new ATOM 0 HA ASN A 70 1.407 5.983 -7.904 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.139 8.154 -8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.549 7.384 -9.658 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.329 8.124 -8.671 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.957 8.627 -7.678 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.319 4.852 -5.984 1.00 0.00 N ATOM 1082 CA LEU A 71 -0.890 4.719 -4.648 1.00 0.00 C ATOM 1083 C LEU A 71 -0.130 3.678 -3.833 1.00 0.00 C ATOM 1084 O LEU A 71 0.042 2.538 -4.266 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.367 4.333 -4.739 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.230 4.690 -3.529 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -2.915 3.772 -2.358 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -3.024 6.146 -3.138 1.00 0.00 C ATOM 0 H LEU A 71 0.059 3.986 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.803 5.682 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.794 4.814 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.431 3.257 -4.901 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.277 4.552 -3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.539 4.042 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.115 2.739 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.865 3.877 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.646 6.382 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.976 6.310 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.302 6.790 -3.973 1.00 0.00 H new ATOM 1100 N PHE A 72 0.321 4.076 -2.648 1.00 0.00 N ATOM 1101 CA PHE A 72 1.061 3.177 -1.770 1.00 0.00 C ATOM 1102 C PHE A 72 0.715 3.438 -0.307 1.00 0.00 C ATOM 1103 O PHE A 72 0.730 4.580 0.152 1.00 0.00 O ATOM 1104 CB PHE A 72 2.567 3.343 -1.987 1.00 0.00 C ATOM 1105 CG PHE A 72 3.403 2.565 -1.012 1.00 0.00 C ATOM 1106 CD1 PHE A 72 3.341 1.181 -0.976 1.00 0.00 C ATOM 1107 CD2 PHE A 72 4.251 3.217 -0.131 1.00 0.00 C ATOM 1108 CE1 PHE A 72 4.109 0.463 -0.079 1.00 0.00 C ATOM 1109 CE2 PHE A 72 5.021 2.503 0.768 1.00 0.00 C ATOM 1110 CZ PHE A 72 4.951 1.124 0.793 1.00 0.00 C ATOM 0 H PHE A 72 0.187 5.015 -2.274 1.00 0.00 H new ATOM 0 HA PHE A 72 0.776 2.154 -2.015 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.817 3.028 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.823 4.400 -1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.685 0.658 -1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.311 4.295 -0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.051 -0.615 -0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.677 3.023 1.450 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.553 0.564 1.493 1.00 0.00 H new ATOM 1120 N SER A 73 0.402 2.370 0.420 1.00 0.00 N ATOM 1121 CA SER A 73 0.047 2.482 1.830 1.00 0.00 C ATOM 1122 C SER A 73 0.469 1.233 2.598 1.00 0.00 C ATOM 1123 O SER A 73 0.834 0.219 2.003 1.00 0.00 O ATOM 1124 CB SER A 73 -1.459 2.705 1.983 1.00 0.00 C ATOM 1125 OG SER A 73 -1.798 2.988 3.329 1.00 0.00 O ATOM 0 H SER A 73 0.387 1.417 0.056 1.00 0.00 H new ATOM 0 HA SER A 73 0.578 3.339 2.245 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.774 3.530 1.344 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.997 1.818 1.648 1.00 0.00 H new ATOM 0 HG SER A 73 -1.031 3.400 3.780 1.00 0.00 H new ATOM 1131 N PHE A 74 0.415 1.315 3.923 1.00 0.00 N ATOM 1132 CA PHE A 74 0.792 0.192 4.774 1.00 0.00 C ATOM 1133 C PHE A 74 0.031 0.232 6.096 1.00 0.00 C ATOM 1134 O PHE A 74 -0.264 1.305 6.621 1.00 0.00 O ATOM 1135 CB PHE A 74 2.299 0.208 5.039 1.00 0.00 C ATOM 1136 CG PHE A 74 2.832 1.570 5.380 1.00 0.00 C ATOM 1137 CD1 PHE A 74 3.242 2.438 4.381 1.00 0.00 C ATOM 1138 CD2 PHE A 74 2.923 1.983 6.700 1.00 0.00 C ATOM 1139 CE1 PHE A 74 3.735 3.692 4.692 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.414 3.235 7.017 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.819 4.091 6.012 1.00 0.00 C ATOM 0 H PHE A 74 0.114 2.147 4.431 1.00 0.00 H new ATOM 0 HA PHE A 74 0.532 -0.729 4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.524 -0.477 5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.819 -0.167 4.157 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.176 2.132 3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 74 2.606 1.318 7.490 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.054 4.358 3.904 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.481 3.544 8.050 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.201 5.071 6.257 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.284 -0.946 6.627 1.00 0.00 N ATOM 1152 CA GLU A 75 -1.012 -1.045 7.887 1.00 0.00 C ATOM 1153 C GLU A 75 -0.057 -1.315 9.046 1.00 0.00 C ATOM 1154 O GLU A 75 0.796 -2.199 8.969 1.00 0.00 O ATOM 1155 CB GLU A 75 -2.063 -2.154 7.808 1.00 0.00 C ATOM 1156 CG GLU A 75 -3.235 -1.949 8.753 1.00 0.00 C ATOM 1157 CD GLU A 75 -2.795 -1.596 10.160 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -2.245 -2.479 10.850 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -3.001 -0.435 10.572 1.00 0.00 O ATOM 0 H GLU A 75 -0.047 -1.844 6.205 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.512 -0.093 8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.437 -2.216 6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.589 -3.109 8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.874 -1.155 8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.837 -2.857 8.782 1.00 0.00 H new ATOM 1166 N SER A 76 -0.208 -0.547 10.120 1.00 0.00 N ATOM 1167 CA SER A 76 0.643 -0.700 11.295 1.00 0.00 C ATOM 1168 C SER A 76 -0.199 -0.847 12.559 1.00 0.00 C ATOM 1169 O SER A 76 -1.328 -0.364 12.627 1.00 0.00 O ATOM 1170 CB SER A 76 1.581 0.501 11.430 1.00 0.00 C ATOM 1171 OG SER A 76 2.765 0.310 10.674 1.00 0.00 O ATOM 0 H SER A 76 -0.911 0.187 10.201 1.00 0.00 H new ATOM 0 HA SER A 76 1.238 -1.604 11.168 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.072 1.404 11.093 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.836 0.652 12.479 1.00 0.00 H new ATOM 0 HG SER A 76 3.104 1.179 10.373 1.00 0.00 H new ATOM 1177 N GLY A 77 0.362 -1.518 13.561 1.00 0.00 N ATOM 1178 CA GLY A 77 -0.350 -1.718 14.810 1.00 0.00 C ATOM 1179 C GLY A 77 -0.472 -0.442 15.618 1.00 0.00 C ATOM 1180 O GLY A 77 -0.560 0.650 15.056 1.00 0.00 O ATOM 0 H GLY A 77 1.296 -1.926 13.530 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.346 -2.107 14.599 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.168 -2.472 15.403 1.00 0.00 H new ATOM 1184 N ARG A 78 -0.479 -0.579 16.940 1.00 0.00 N ATOM 1185 CA ARG A 78 -0.595 0.573 17.826 1.00 0.00 C ATOM 1186 C ARG A 78 0.683 0.766 18.636 1.00 0.00 C ATOM 1187 O ARG A 78 0.800 1.713 19.414 1.00 0.00 O ATOM 1188 CB ARG A 78 -1.788 0.399 18.769 1.00 0.00 C ATOM 1189 CG ARG A 78 -1.605 -0.718 19.784 1.00 0.00 C ATOM 1190 CD ARG A 78 -2.055 -2.058 19.224 1.00 0.00 C ATOM 1191 NE ARG A 78 -2.523 -2.960 20.273 1.00 0.00 N ATOM 1192 CZ ARG A 78 -3.372 -3.959 20.058 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -3.842 -4.183 18.839 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -3.751 -4.737 21.064 1.00 0.00 N ATOM 0 H ARG A 78 -0.406 -1.476 17.421 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.752 1.459 17.211 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.961 1.336 19.299 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.681 0.198 18.178 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.556 -0.778 20.076 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.174 -0.489 20.685 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.854 -1.898 18.500 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.228 -2.523 18.688 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.179 -2.815 21.222 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.552 -3.588 18.063 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.494 -4.951 18.677 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.390 -4.568 22.003 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.403 -5.504 20.898 1.00 0.00 H new ATOM 1208 N ARG A 79 1.639 -0.138 18.449 1.00 0.00 N ATOM 1209 CA ARG A 79 2.908 -0.068 19.163 1.00 0.00 C ATOM 1210 C ARG A 79 3.881 0.867 18.452 1.00 0.00 C ATOM 1211 O ARG A 79 4.912 1.247 19.009 1.00 0.00 O ATOM 1212 CB ARG A 79 3.525 -1.463 19.288 1.00 0.00 C ATOM 1213 CG ARG A 79 3.793 -2.133 17.950 1.00 0.00 C ATOM 1214 CD ARG A 79 4.067 -3.619 18.117 1.00 0.00 C ATOM 1215 NE ARG A 79 5.413 -3.875 18.621 1.00 0.00 N ATOM 1216 CZ ARG A 79 5.944 -5.089 18.717 1.00 0.00 C ATOM 1217 NH1 ARG A 79 5.246 -6.153 18.345 1.00 0.00 N ATOM 1218 NH2 ARG A 79 7.176 -5.240 19.187 1.00 0.00 N ATOM 0 H ARG A 79 1.559 -0.928 17.809 1.00 0.00 H new ATOM 0 HA ARG A 79 2.714 0.327 20.160 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.461 -1.389 19.841 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.858 -2.095 19.874 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.935 -1.992 17.293 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.646 -1.656 17.467 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.336 -4.047 18.803 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.937 -4.121 17.158 1.00 0.00 H new ATOM 0 HE ARG A 79 5.977 -3.078 18.916 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.299 -6.041 17.984 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.656 -7.084 18.420 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.716 -4.424 19.475 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.583 -6.172 19.260 1.00 0.00 H new ATOM 1232 N CYS A 80 3.547 1.235 17.220 1.00 0.00 N ATOM 1233 CA CYS A 80 4.392 2.125 16.432 1.00 0.00 C ATOM 1234 C CYS A 80 4.238 3.571 16.894 1.00 0.00 C ATOM 1235 O CYS A 80 3.187 3.961 17.401 1.00 0.00 O ATOM 1236 CB CYS A 80 4.043 2.012 14.947 1.00 0.00 C ATOM 1237 SG CYS A 80 2.284 2.215 14.584 1.00 0.00 S ATOM 0 H CYS A 80 2.697 0.931 16.745 1.00 0.00 H new ATOM 0 HA CYS A 80 5.429 1.824 16.578 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.606 2.764 14.394 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.368 1.038 14.582 1.00 0.00 H new ATOM 0 HG CYS A 80 1.621 1.210 15.074 1.00 0.00 H new ATOM 1243 N GLN A 81 5.293 4.359 16.716 1.00 0.00 N ATOM 1244 CA GLN A 81 5.275 5.761 17.117 1.00 0.00 C ATOM 1245 C GLN A 81 3.910 6.386 16.850 1.00 0.00 C ATOM 1246 O GLN A 81 3.169 6.708 17.780 1.00 0.00 O ATOM 1247 CB GLN A 81 6.360 6.540 16.373 1.00 0.00 C ATOM 1248 CG GLN A 81 6.069 8.028 16.255 1.00 0.00 C ATOM 1249 CD GLN A 81 7.311 8.843 15.951 1.00 0.00 C ATOM 1250 OE1 GLN A 81 8.312 8.761 16.663 1.00 0.00 O ATOM 1251 NE2 GLN A 81 7.252 9.636 14.887 1.00 0.00 N ATOM 0 H GLN A 81 6.171 4.051 16.297 1.00 0.00 H new ATOM 0 HA GLN A 81 5.473 5.809 18.188 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.311 6.404 16.888 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.476 6.121 15.374 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.332 8.189 15.468 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.625 8.382 17.185 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.402 9.673 14.325 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.057 10.208 14.632 1.00 0.00 H new ATOM 1260 N THR A 82 3.582 6.555 15.573 1.00 0.00 N ATOM 1261 CA THR A 82 2.306 7.143 15.183 1.00 0.00 C ATOM 1262 C THR A 82 1.151 6.508 15.948 1.00 0.00 C ATOM 1263 O THR A 82 0.420 7.189 16.666 1.00 0.00 O ATOM 1264 CB THR A 82 2.054 6.986 13.671 1.00 0.00 C ATOM 1265 OG1 THR A 82 2.246 5.622 13.282 1.00 0.00 O ATOM 1266 CG2 THR A 82 2.987 7.883 12.871 1.00 0.00 C ATOM 0 H THR A 82 4.182 6.293 14.791 1.00 0.00 H new ATOM 0 HA THR A 82 2.359 8.204 15.427 1.00 0.00 H new ATOM 0 HB THR A 82 1.025 7.281 13.464 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.588 5.381 12.597 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.791 7.755 11.806 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.818 8.923 13.149 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.022 7.614 13.084 1.00 0.00 H new ATOM 1274 N GLY A 83 0.992 5.197 15.790 1.00 0.00 N ATOM 1275 CA GLY A 83 -0.076 4.492 16.473 1.00 0.00 C ATOM 1276 C GLY A 83 -0.992 3.758 15.514 1.00 0.00 C ATOM 1277 O GLY A 83 -0.726 3.700 14.314 1.00 0.00 O ATOM 0 H GLY A 83 1.584 4.611 15.201 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.355 3.779 17.176 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.661 5.203 17.057 1.00 0.00 H new ATOM 1281 N GLN A 84 -2.073 3.195 16.044 1.00 0.00 N ATOM 1282 CA GLN A 84 -3.030 2.460 15.226 1.00 0.00 C ATOM 1283 C GLN A 84 -3.607 3.349 14.130 1.00 0.00 C ATOM 1284 O GLN A 84 -4.064 4.460 14.394 1.00 0.00 O ATOM 1285 CB GLN A 84 -4.159 1.907 16.097 1.00 0.00 C ATOM 1286 CG GLN A 84 -4.766 0.619 15.563 1.00 0.00 C ATOM 1287 CD GLN A 84 -6.227 0.464 15.936 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -6.953 1.449 16.073 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -6.667 -0.778 16.101 1.00 0.00 N ATOM 0 H GLN A 84 -2.308 3.234 17.036 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.504 1.630 14.755 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.777 1.729 17.102 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.943 2.660 16.182 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.668 0.598 14.478 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.204 -0.231 15.950 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.030 -1.565 15.977 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.642 -0.945 16.351 1.00 0.00 H new ATOM 1298 N GLY A 85 -3.582 2.853 12.896 1.00 0.00 N ATOM 1299 CA GLY A 85 -4.104 3.616 11.778 1.00 0.00 C ATOM 1300 C GLY A 85 -3.312 3.396 10.505 1.00 0.00 C ATOM 1301 O GLY A 85 -2.106 3.153 10.551 1.00 0.00 O ATOM 0 H GLY A 85 -3.209 1.936 12.651 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.144 3.339 11.607 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.094 4.676 12.030 1.00 0.00 H new ATOM 1305 N ILE A 86 -3.991 3.480 9.366 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.342 3.287 8.075 1.00 0.00 C ATOM 1307 C ILE A 86 -2.894 4.618 7.481 1.00 0.00 C ATOM 1308 O ILE A 86 -3.483 5.663 7.758 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.276 2.580 7.075 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -4.486 1.121 7.484 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -3.706 2.664 5.667 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -5.753 0.513 6.926 1.00 0.00 C ATOM 0 H ILE A 86 -4.990 3.680 9.311 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.469 2.658 8.251 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.243 3.084 7.085 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.632 0.532 7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.511 1.057 8.572 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.377 2.160 4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.603 3.710 5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.728 2.182 5.641 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.836 -0.522 7.257 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.615 1.078 7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.723 0.544 5.837 1.00 0.00 H new ATOM 1324 N PHE A 87 -1.849 4.572 6.661 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.322 5.775 6.027 1.00 0.00 C ATOM 1326 C PHE A 87 -0.993 5.516 4.559 1.00 0.00 C ATOM 1327 O PHE A 87 -0.155 4.674 4.239 1.00 0.00 O ATOM 1328 CB PHE A 87 -0.071 6.259 6.763 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.123 6.031 8.247 1.00 0.00 C ATOM 1330 CD1 PHE A 87 0.218 4.800 8.784 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -0.512 7.047 9.104 1.00 0.00 C ATOM 1332 CE1 PHE A 87 0.171 4.588 10.149 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -0.561 6.841 10.470 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.218 5.609 10.993 1.00 0.00 C ATOM 0 H PHE A 87 -1.351 3.715 6.420 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.088 6.549 6.079 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.801 5.748 6.355 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.065 7.323 6.571 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.524 3.998 8.129 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.780 8.012 8.700 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.439 3.624 10.555 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.867 7.642 11.127 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.254 5.445 12.060 1.00 0.00 H new ATOM 1344 N ALA A 88 -1.661 6.246 3.672 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.440 6.097 2.239 1.00 0.00 C ATOM 1346 C ALA A 88 -0.729 7.317 1.663 1.00 0.00 C ATOM 1347 O ALA A 88 -0.800 8.411 2.223 1.00 0.00 O ATOM 1348 CB ALA A 88 -2.763 5.867 1.522 1.00 0.00 C ATOM 0 H ALA A 88 -2.360 6.946 3.921 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.799 5.229 2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.583 5.757 0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.232 4.961 1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.423 6.718 1.694 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.043 7.121 0.542 1.00 0.00 N ATOM 1355 CA PHE A 89 0.683 8.206 -0.108 1.00 0.00 C ATOM 1356 C PHE A 89 0.672 8.036 -1.625 1.00 0.00 C ATOM 1357 O PHE A 89 0.630 6.916 -2.135 1.00 0.00 O ATOM 1358 CB PHE A 89 2.126 8.259 0.399 1.00 0.00 C ATOM 1359 CG PHE A 89 2.240 8.152 1.893 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.828 7.005 2.552 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.760 9.198 2.638 1.00 0.00 C ATOM 1362 CE1 PHE A 89 1.931 6.905 3.927 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.866 9.103 4.013 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.452 7.955 4.658 1.00 0.00 C ATOM 0 H PHE A 89 0.025 6.222 0.065 1.00 0.00 H new ATOM 0 HA PHE A 89 0.183 9.143 0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.694 7.450 -0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.583 9.193 0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.422 6.180 1.985 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.086 10.098 2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.604 6.006 4.429 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.272 9.926 4.582 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.535 7.878 5.732 1.00 0.00 H new ATOM 1374 N LYS A 90 0.708 9.155 -2.340 1.00 0.00 N ATOM 1375 CA LYS A 90 0.703 9.132 -3.798 1.00 0.00 C ATOM 1376 C LYS A 90 2.116 9.290 -4.350 1.00 0.00 C ATOM 1377 O LYS A 90 2.822 10.241 -4.011 1.00 0.00 O ATOM 1378 CB LYS A 90 -0.197 10.244 -4.342 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.645 9.823 -4.520 1.00 0.00 C ATOM 1380 CD LYS A 90 -2.451 10.889 -5.242 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.894 10.453 -5.449 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.515 11.128 -6.622 1.00 0.00 N ATOM 0 H LYS A 90 0.741 10.090 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 90 0.313 8.167 -4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.156 11.097 -3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.195 10.580 -5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.687 8.890 -5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.090 9.627 -3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.429 11.815 -4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.992 11.102 -6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.930 9.373 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.473 10.677 -4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.497 10.804 -6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.504 12.158 -6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.978 10.894 -7.481 1.00 0.00 H new ATOM 1396 N CYS A 91 2.521 8.356 -5.202 1.00 0.00 N ATOM 1397 CA CYS A 91 3.850 8.392 -5.802 1.00 0.00 C ATOM 1398 C CYS A 91 3.787 8.041 -7.285 1.00 0.00 C ATOM 1399 O CYS A 91 2.715 7.765 -7.823 1.00 0.00 O ATOM 1400 CB CYS A 91 4.787 7.426 -5.076 1.00 0.00 C ATOM 1401 SG CYS A 91 6.525 7.926 -5.098 1.00 0.00 S ATOM 0 H CYS A 91 1.948 7.564 -5.493 1.00 0.00 H new ATOM 0 HA CYS A 91 4.238 9.406 -5.703 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.461 7.330 -4.040 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.698 6.440 -5.531 1.00 0.00 H new ATOM 0 HG CYS A 91 6.657 9.064 -4.483 1.00 0.00 H new ATOM 1407 N SER A 92 4.944 8.054 -7.940 1.00 0.00 N ATOM 1408 CA SER A 92 5.020 7.741 -9.363 1.00 0.00 C ATOM 1409 C SER A 92 5.596 6.346 -9.583 1.00 0.00 C ATOM 1410 O SER A 92 5.345 5.713 -10.608 1.00 0.00 O ATOM 1411 CB SER A 92 5.876 8.780 -10.089 1.00 0.00 C ATOM 1412 OG SER A 92 5.638 8.750 -11.486 1.00 0.00 O ATOM 0 H SER A 92 5.841 8.278 -7.509 1.00 0.00 H new ATOM 0 HA SER A 92 4.009 7.765 -9.770 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.655 9.774 -9.700 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.931 8.588 -9.892 1.00 0.00 H new ATOM 0 HG SER A 92 6.196 9.424 -11.927 1.00 0.00 H new ATOM 1418 N ARG A 93 6.371 5.873 -8.612 1.00 0.00 N ATOM 1419 CA ARG A 93 6.985 4.554 -8.699 1.00 0.00 C ATOM 1420 C ARG A 93 6.586 3.689 -7.507 1.00 0.00 C ATOM 1421 O ARG A 93 7.436 3.085 -6.853 1.00 0.00 O ATOM 1422 CB ARG A 93 8.509 4.680 -8.763 1.00 0.00 C ATOM 1423 CG ARG A 93 8.992 5.715 -9.765 1.00 0.00 C ATOM 1424 CD ARG A 93 10.397 6.196 -9.436 1.00 0.00 C ATOM 1425 NE ARG A 93 11.384 5.127 -9.556 1.00 0.00 N ATOM 1426 CZ ARG A 93 11.833 4.668 -10.719 1.00 0.00 C ATOM 1427 NH1 ARG A 93 11.386 5.183 -11.856 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.731 3.692 -10.746 1.00 0.00 N ATOM 0 H ARG A 93 6.588 6.384 -7.756 1.00 0.00 H new ATOM 0 HA ARG A 93 6.628 4.074 -9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.886 4.941 -7.774 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.935 3.710 -9.021 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.978 5.287 -10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.308 6.564 -9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.666 7.014 -10.104 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.415 6.594 -8.421 1.00 0.00 H new ATOM 0 HE ARG A 93 11.749 4.710 -8.700 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.696 5.934 -11.839 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.733 4.829 -12.747 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.077 3.293 -9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.075 3.340 -11.639 1.00 0.00 H new ATOM 1442 N ALA A 94 5.287 3.634 -7.231 1.00 0.00 N ATOM 1443 CA ALA A 94 4.775 2.843 -6.119 1.00 0.00 C ATOM 1444 C ALA A 94 5.211 1.386 -6.236 1.00 0.00 C ATOM 1445 O ALA A 94 5.677 0.789 -5.267 1.00 0.00 O ATOM 1446 CB ALA A 94 3.257 2.938 -6.058 1.00 0.00 C ATOM 0 H ALA A 94 4.570 4.128 -7.762 1.00 0.00 H new ATOM 0 HA ALA A 94 5.191 3.247 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.888 2.342 -5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.963 3.978 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.831 2.561 -6.988 1.00 0.00 H new ATOM 1452 N GLU A 95 5.055 0.820 -7.429 1.00 0.00 N ATOM 1453 CA GLU A 95 5.432 -0.567 -7.671 1.00 0.00 C ATOM 1454 C GLU A 95 6.878 -0.819 -7.254 1.00 0.00 C ATOM 1455 O GLU A 95 7.172 -1.786 -6.552 1.00 0.00 O ATOM 1456 CB GLU A 95 5.246 -0.920 -9.148 1.00 0.00 C ATOM 1457 CG GLU A 95 5.247 -2.414 -9.422 1.00 0.00 C ATOM 1458 CD GLU A 95 4.467 -2.778 -10.671 1.00 0.00 C ATOM 1459 OE1 GLU A 95 3.621 -1.968 -11.100 1.00 0.00 O ATOM 1460 OE2 GLU A 95 4.705 -3.875 -11.219 1.00 0.00 O ATOM 0 H GLU A 95 4.670 1.301 -8.242 1.00 0.00 H new ATOM 0 HA GLU A 95 4.783 -1.203 -7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.305 -0.496 -9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.042 -0.452 -9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.275 -2.760 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.820 -2.937 -8.566 1.00 0.00 H new ATOM 1467 N GLU A 96 7.775 0.058 -7.693 1.00 0.00 N ATOM 1468 CA GLU A 96 9.191 -0.070 -7.367 1.00 0.00 C ATOM 1469 C GLU A 96 9.386 -0.296 -5.870 1.00 0.00 C ATOM 1470 O GLU A 96 10.120 -1.194 -5.458 1.00 0.00 O ATOM 1471 CB GLU A 96 9.954 1.180 -7.808 1.00 0.00 C ATOM 1472 CG GLU A 96 10.197 1.247 -9.307 1.00 0.00 C ATOM 1473 CD GLU A 96 11.333 0.348 -9.754 1.00 0.00 C ATOM 1474 OE1 GLU A 96 11.465 -0.763 -9.201 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.091 0.757 -10.659 1.00 0.00 O ATOM 0 H GLU A 96 7.547 0.864 -8.275 1.00 0.00 H new ATOM 0 HA GLU A 96 9.584 -0.934 -7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.396 2.064 -7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.913 1.211 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.285 0.963 -9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.420 2.276 -9.590 1.00 0.00 H new ATOM 1482 N ILE A 97 8.723 0.526 -5.062 1.00 0.00 N ATOM 1483 CA ILE A 97 8.823 0.415 -3.612 1.00 0.00 C ATOM 1484 C ILE A 97 8.194 -0.882 -3.115 1.00 0.00 C ATOM 1485 O ILE A 97 8.636 -1.457 -2.120 1.00 0.00 O ATOM 1486 CB ILE A 97 8.143 1.605 -2.909 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.709 2.926 -3.433 1.00 0.00 C ATOM 1488 CG2 ILE A 97 8.326 1.505 -1.402 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.706 4.059 -3.426 1.00 0.00 C ATOM 0 H ILE A 97 8.112 1.275 -5.387 1.00 0.00 H new ATOM 0 HA ILE A 97 9.885 0.417 -3.367 1.00 0.00 H new ATOM 0 HB ILE A 97 7.076 1.576 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.569 3.209 -2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.071 2.779 -4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.840 2.353 -0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.880 0.578 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.390 1.512 -1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.177 4.964 -3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.856 3.796 -4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.362 4.234 -2.407 1.00 0.00 H new ATOM 1501 N PHE A 98 7.161 -1.338 -3.815 1.00 0.00 N ATOM 1502 CA PHE A 98 6.471 -2.569 -3.445 1.00 0.00 C ATOM 1503 C PHE A 98 7.326 -3.790 -3.770 1.00 0.00 C ATOM 1504 O PHE A 98 7.343 -4.766 -3.021 1.00 0.00 O ATOM 1505 CB PHE A 98 5.128 -2.664 -4.173 1.00 0.00 C ATOM 1506 CG PHE A 98 4.786 -4.056 -4.620 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.626 -5.075 -3.695 1.00 0.00 C ATOM 1508 CD2 PHE A 98 4.625 -4.346 -5.965 1.00 0.00 C ATOM 1509 CE1 PHE A 98 4.312 -6.358 -4.104 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.311 -5.626 -6.381 1.00 0.00 C ATOM 1511 CZ PHE A 98 4.153 -6.633 -5.448 1.00 0.00 C ATOM 0 H PHE A 98 6.783 -0.874 -4.641 1.00 0.00 H new ATOM 0 HA PHE A 98 6.293 -2.548 -2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.340 -2.299 -3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.148 -2.006 -5.042 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.748 -4.865 -2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.746 -3.562 -6.698 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.191 -7.144 -3.373 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.189 -5.839 -7.433 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.905 -7.634 -5.769 1.00 0.00 H new ATOM 1521 N ASN A 99 8.034 -3.728 -4.892 1.00 0.00 N ATOM 1522 CA ASN A 99 8.891 -4.829 -5.318 1.00 0.00 C ATOM 1523 C ASN A 99 10.166 -4.880 -4.482 1.00 0.00 C ATOM 1524 O ASN A 99 10.833 -5.913 -4.410 1.00 0.00 O ATOM 1525 CB ASN A 99 9.245 -4.684 -6.799 1.00 0.00 C ATOM 1526 CG ASN A 99 8.197 -5.298 -7.707 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.402 -6.134 -7.278 1.00 0.00 O ATOM 1528 ND2 ASN A 99 8.192 -4.885 -8.969 1.00 0.00 N ATOM 0 H ASN A 99 8.032 -2.927 -5.523 1.00 0.00 H new ATOM 0 HA ASN A 99 8.344 -5.760 -5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.357 -3.627 -7.041 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.208 -5.158 -6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.510 -5.263 -9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.870 -4.190 -9.281 1.00 0.00 H new ATOM 1535 N LEU A 100 10.499 -3.760 -3.850 1.00 0.00 N ATOM 1536 CA LEU A 100 11.693 -3.677 -3.018 1.00 0.00 C ATOM 1537 C LEU A 100 11.366 -3.992 -1.562 1.00 0.00 C ATOM 1538 O LEU A 100 12.168 -4.597 -0.850 1.00 0.00 O ATOM 1539 CB LEU A 100 12.316 -2.283 -3.122 1.00 0.00 C ATOM 1540 CG LEU A 100 13.637 -2.080 -2.379 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.658 -3.120 -2.814 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.171 -0.675 -2.614 1.00 0.00 C ATOM 0 H LEU A 100 9.958 -2.897 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 100 12.408 -4.416 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.477 -2.057 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.596 -1.556 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 100 13.454 -2.203 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.592 -2.960 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.278 -4.118 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.837 -3.028 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.111 -0.549 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 100 14.338 -0.523 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 100 13.446 0.055 -2.253 1.00 0.00 H new ATOM 1554 N LEU A 101 10.181 -3.580 -1.125 1.00 0.00 N ATOM 1555 CA LEU A 101 9.744 -3.820 0.246 1.00 0.00 C ATOM 1556 C LEU A 101 9.865 -5.298 0.605 1.00 0.00 C ATOM 1557 O LEU A 101 10.491 -5.655 1.602 1.00 0.00 O ATOM 1558 CB LEU A 101 8.299 -3.355 0.432 1.00 0.00 C ATOM 1559 CG LEU A 101 8.113 -1.903 0.872 1.00 0.00 C ATOM 1560 CD1 LEU A 101 6.645 -1.510 0.809 1.00 0.00 C ATOM 1561 CD2 LEU A 101 8.662 -1.697 2.276 1.00 0.00 C ATOM 0 H LEU A 101 9.505 -3.078 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 101 10.391 -3.249 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.768 -3.499 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.823 -4.001 1.169 1.00 0.00 H new ATOM 0 HG LEU A 101 8.669 -1.262 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.532 -0.473 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.283 -1.619 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.067 -2.156 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.521 -0.658 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.134 -2.348 2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.725 -1.937 2.290 1.00 0.00 H new ATOM 1573 N GLN A 102 9.263 -6.152 -0.217 1.00 0.00 N ATOM 1574 CA GLN A 102 9.305 -7.591 0.013 1.00 0.00 C ATOM 1575 C GLN A 102 10.734 -8.116 -0.077 1.00 0.00 C ATOM 1576 O GLN A 102 11.015 -9.251 0.307 1.00 0.00 O ATOM 1577 CB GLN A 102 8.418 -8.317 -1.000 1.00 0.00 C ATOM 1578 CG GLN A 102 8.850 -8.113 -2.443 1.00 0.00 C ATOM 1579 CD GLN A 102 7.895 -8.751 -3.433 1.00 0.00 C ATOM 1580 OE1 GLN A 102 8.179 -9.811 -3.992 1.00 0.00 O ATOM 1581 NE2 GLN A 102 6.756 -8.107 -3.657 1.00 0.00 N ATOM 0 H GLN A 102 8.741 -5.872 -1.047 1.00 0.00 H new ATOM 0 HA GLN A 102 8.930 -7.783 1.018 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.422 -9.384 -0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.391 -7.971 -0.885 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.922 -7.045 -2.649 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.846 -8.532 -2.583 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.561 -7.231 -3.172 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.075 -8.488 -4.314 1.00 0.00 H new ATOM 1590 N ASP A 103 11.634 -7.282 -0.588 1.00 0.00 N ATOM 1591 CA ASP A 103 13.035 -7.662 -0.728 1.00 0.00 C ATOM 1592 C ASP A 103 13.786 -7.461 0.584 1.00 0.00 C ATOM 1593 O ASP A 103 14.665 -8.249 0.936 1.00 0.00 O ATOM 1594 CB ASP A 103 13.697 -6.846 -1.840 1.00 0.00 C ATOM 1595 CG ASP A 103 14.821 -7.602 -2.521 1.00 0.00 C ATOM 1596 OD1 ASP A 103 14.575 -8.731 -2.994 1.00 0.00 O ATOM 1597 OD2 ASP A 103 15.948 -7.065 -2.579 1.00 0.00 O ATOM 0 H ASP A 103 11.418 -6.339 -0.912 1.00 0.00 H new ATOM 0 HA ASP A 103 13.076 -8.719 -0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.947 -6.571 -2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.088 -5.918 -1.423 1.00 0.00 H new ATOM 1602 N LEU A 104 13.436 -6.401 1.304 1.00 0.00 N ATOM 1603 CA LEU A 104 14.078 -6.095 2.578 1.00 0.00 C ATOM 1604 C LEU A 104 13.407 -6.849 3.721 1.00 0.00 C ATOM 1605 O LEU A 104 14.049 -7.190 4.714 1.00 0.00 O ATOM 1606 CB LEU A 104 14.030 -4.590 2.847 1.00 0.00 C ATOM 1607 CG LEU A 104 14.390 -3.685 1.668 1.00 0.00 C ATOM 1608 CD1 LEU A 104 14.180 -2.224 2.032 1.00 0.00 C ATOM 1609 CD2 LEU A 104 15.828 -3.926 1.230 1.00 0.00 C ATOM 0 H LEU A 104 12.711 -5.739 1.028 1.00 0.00 H new ATOM 0 HA LEU A 104 15.118 -6.414 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.025 -4.333 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.708 -4.367 3.671 1.00 0.00 H new ATOM 0 HG LEU A 104 13.731 -3.928 0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.441 -1.596 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.135 -2.061 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.813 -1.966 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.067 -3.274 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.502 -3.711 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.946 -4.966 0.926 1.00 0.00 H new ATOM 1621 N MET A 105 12.111 -7.107 3.572 1.00 0.00 N ATOM 1622 CA MET A 105 11.354 -7.825 4.591 1.00 0.00 C ATOM 1623 C MET A 105 11.808 -9.278 4.685 1.00 0.00 C ATOM 1624 O MET A 105 12.055 -9.791 5.776 1.00 0.00 O ATOM 1625 CB MET A 105 9.857 -7.765 4.281 1.00 0.00 C ATOM 1626 CG MET A 105 9.291 -6.354 4.285 1.00 0.00 C ATOM 1627 SD MET A 105 7.681 -6.250 3.480 1.00 0.00 S ATOM 1628 CE MET A 105 6.593 -6.218 4.902 1.00 0.00 C ATOM 0 H MET A 105 11.564 -6.830 2.757 1.00 0.00 H new ATOM 0 HA MET A 105 11.539 -7.343 5.551 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.678 -8.217 3.305 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.318 -8.366 5.014 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.202 -6.005 5.314 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.989 -5.685 3.781 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.015 -7.141 4.939 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.186 -6.125 5.812 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.915 -5.368 4.822 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.303 11.247 7.500 1.00 0.00 N ATOM 2276 CA PHE B 2 -3.756 11.118 7.492 1.00 0.00 C ATOM 2277 C PHE B 2 -4.178 9.701 7.867 1.00 0.00 C ATOM 2278 O PHE B 2 -3.560 8.725 7.443 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.314 11.481 6.115 1.00 0.00 C ATOM 2280 CG PHE B 2 -5.815 11.478 6.056 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.510 10.297 5.849 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.530 12.654 6.207 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -7.891 10.291 5.793 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -7.911 12.654 6.153 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.593 11.471 5.947 1.00 0.00 C ATOM 0 HA PHE B 2 -4.161 11.807 8.233 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -3.949 12.469 5.833 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -3.928 10.776 5.378 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -5.967 9.371 5.730 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -6.002 13.582 6.369 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -8.421 9.364 5.629 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -8.456 13.579 6.272 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.672 11.468 5.906 1.00 0.00 H new ATOM 2295 N ARG B 3 -5.235 9.596 8.666 1.00 0.00 N ATOM 2296 CA ARG B 3 -5.740 8.299 9.100 1.00 0.00 C ATOM 2297 C ARG B 3 -6.809 7.783 8.141 1.00 0.00 C ATOM 2298 O ARG B 3 -7.820 8.445 7.907 1.00 0.00 O ATOM 2299 CB ARG B 3 -6.314 8.399 10.514 1.00 0.00 C ATOM 2300 CG ARG B 3 -5.254 8.394 11.603 1.00 0.00 C ATOM 2301 CD ARG B 3 -4.654 9.776 11.803 1.00 0.00 C ATOM 2302 NE ARG B 3 -3.438 9.734 12.612 1.00 0.00 N ATOM 2303 CZ ARG B 3 -2.620 10.770 12.764 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -2.886 11.922 12.165 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -1.534 10.653 13.517 1.00 0.00 N ATOM 0 H ARG B 3 -5.758 10.394 9.026 1.00 0.00 H new ATOM 0 HA ARG B 3 -4.908 7.595 9.102 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -6.901 9.314 10.595 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -6.997 7.566 10.680 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -5.694 8.048 12.539 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -4.466 7.688 11.341 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -4.428 10.217 10.832 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -5.387 10.423 12.284 1.00 0.00 H new ATOM 0 HE ARG B 3 -3.204 8.862 13.086 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -3.720 12.015 11.586 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -2.256 12.716 12.283 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -1.327 9.768 13.979 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -0.906 11.448 13.634 1.00 0.00 H new ATOM 2319 N LEU B 4 -6.577 6.597 7.588 1.00 0.00 N ATOM 2320 CA LEU B 4 -7.520 5.991 6.654 1.00 0.00 C ATOM 2321 C LEU B 4 -8.446 5.014 7.371 1.00 0.00 C ATOM 2322 O LEU B 4 -8.123 4.516 8.450 1.00 0.00 O ATOM 2323 CB LEU B 4 -6.766 5.270 5.535 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.316 6.140 4.360 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.367 5.367 3.458 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.519 6.636 3.572 1.00 0.00 C ATOM 0 H LEU B 4 -5.745 6.036 7.770 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.127 6.786 6.222 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.886 4.793 5.966 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.403 4.474 5.149 1.00 0.00 H new ATOM 0 HG LEU B 4 -5.785 7.006 4.756 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.057 6.001 2.627 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.490 5.062 4.029 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -5.873 4.483 3.070 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.180 7.253 2.740 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.078 5.783 3.187 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.162 7.227 4.224 1.00 0.00 H new ATOM 2338 N ARG B 5 -9.596 4.743 6.764 1.00 0.00 N ATOM 2339 CA ARG B 5 -10.568 3.824 7.344 1.00 0.00 C ATOM 2340 C ARG B 5 -10.231 2.379 6.988 1.00 0.00 C ATOM 2341 O ARG B 5 -10.361 1.478 7.816 1.00 0.00 O ATOM 2342 CB ARG B 5 -11.978 4.165 6.857 1.00 0.00 C ATOM 2343 CG ARG B 5 -12.551 5.425 7.483 1.00 0.00 C ATOM 2344 CD ARG B 5 -13.990 5.658 7.050 1.00 0.00 C ATOM 2345 NE ARG B 5 -14.078 6.107 5.663 1.00 0.00 N ATOM 2346 CZ ARG B 5 -15.222 6.214 4.997 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -16.369 5.907 5.589 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -15.221 6.630 3.737 1.00 0.00 N ATOM 0 H ARG B 5 -9.878 5.147 5.871 1.00 0.00 H new ATOM 0 HA ARG B 5 -10.529 3.931 8.428 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -11.960 4.284 5.774 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -12.641 3.328 7.075 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -12.505 5.346 8.569 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -11.941 6.283 7.200 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -14.558 4.736 7.169 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -14.449 6.402 7.702 1.00 0.00 H new ATOM 0 HE ARG B 5 -13.214 6.352 5.180 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -16.374 5.588 6.558 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -17.246 5.990 5.075 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -14.341 6.868 3.279 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -16.100 6.712 3.226 1.00 0.00 H new ATOM 2362 N HIS B 6 -9.796 2.166 5.749 1.00 0.00 N ATOM 2363 CA HIS B 6 -9.440 0.831 5.283 1.00 0.00 C ATOM 2364 C HIS B 6 -8.330 0.898 4.239 1.00 0.00 C ATOM 2365 O HIS B 6 -7.978 1.977 3.761 1.00 0.00 O ATOM 2366 CB HIS B 6 -10.665 0.128 4.698 1.00 0.00 C ATOM 2367 CG HIS B 6 -10.952 0.509 3.278 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -10.870 -0.381 2.228 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -11.325 1.693 2.737 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -11.178 0.239 1.103 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -11.459 1.499 1.384 1.00 0.00 N ATOM 0 H HIS B 6 -9.682 2.901 5.051 1.00 0.00 H new ATOM 0 HA HIS B 6 -9.077 0.260 6.137 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -10.516 -0.950 4.753 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -11.535 0.361 5.311 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -11.487 2.618 3.270 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -11.197 -0.208 0.120 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -11.731 2.211 0.707 1.00 0.00 H new ATOM 2380 N PHE B 7 -7.781 -0.261 3.890 1.00 0.00 N ATOM 2381 CA PHE B 7 -6.709 -0.333 2.904 1.00 0.00 C ATOM 2382 C PHE B 7 -7.252 -0.116 1.494 1.00 0.00 C ATOM 2383 O PHE B 7 -8.075 -0.883 0.994 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.001 -1.687 2.987 1.00 0.00 C ATOM 2385 CG PHE B 7 -4.545 -1.625 2.622 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -3.729 -0.632 3.140 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -3.993 -2.560 1.762 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -2.389 -0.573 2.807 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -2.654 -2.506 1.425 1.00 0.00 C ATOM 2390 CZ PHE B 7 -1.851 -1.510 1.947 1.00 0.00 C ATOM 0 H PHE B 7 -8.061 -1.163 4.275 1.00 0.00 H new ATOM 0 HA PHE B 7 -5.992 0.458 3.125 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.097 -2.077 4.000 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -6.504 -2.392 2.325 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.145 0.104 3.812 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -4.616 -3.340 1.350 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -1.763 0.205 3.219 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.235 -3.242 0.754 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.805 -1.464 1.683 1.00 0.00 H new ATOM 2400 N PRO B 8 -6.781 0.954 0.837 1.00 0.00 N ATOM 2401 CA PRO B 8 -7.205 1.298 -0.523 1.00 0.00 C ATOM 2402 C PRO B 8 -6.682 0.309 -1.560 1.00 0.00 C ATOM 2403 O PRO B 8 -7.042 0.381 -2.736 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.591 2.682 -0.747 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.417 2.729 0.169 1.00 0.00 C ATOM 2406 CD PRO B 8 -5.798 1.911 1.372 1.00 0.00 C ATOM 0 HA PRO B 8 -8.290 1.276 -0.630 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -6.288 2.817 -1.785 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.304 3.473 -0.517 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.529 2.322 -0.314 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -5.184 3.755 0.453 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -4.935 1.402 1.802 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.228 2.530 2.159 1.00 0.00 H new ATOM 2414 N CYS B 9 -5.833 -0.611 -1.118 1.00 0.00 N ATOM 2415 CA CYS B 9 -5.260 -1.614 -2.008 1.00 0.00 C ATOM 2416 C CYS B 9 -5.962 -2.957 -1.837 1.00 0.00 C ATOM 2417 O CYS B 9 -6.612 -3.205 -0.822 1.00 0.00 O ATOM 2418 CB CYS B 9 -3.763 -1.770 -1.740 1.00 0.00 C ATOM 2419 SG CYS B 9 -2.958 -3.032 -2.754 1.00 0.00 S ATOM 0 H CYS B 9 -5.526 -0.683 -0.148 1.00 0.00 H new ATOM 0 HA CYS B 9 -5.404 -1.277 -3.034 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.272 -0.812 -1.914 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -3.617 -2.017 -0.688 1.00 0.00 H new ATOM 0 HG CYS B 9 -2.455 -2.479 -3.817 1.00 0.00 H new ATOM 2425 N GLY B 10 -5.827 -3.822 -2.838 1.00 0.00 N ATOM 2426 CA GLY B 10 -6.456 -5.129 -2.780 1.00 0.00 C ATOM 2427 C GLY B 10 -5.457 -6.259 -2.927 1.00 0.00 C ATOM 2428 O GLY B 10 -5.640 -7.335 -2.359 1.00 0.00 O ATOM 0 H GLY B 10 -5.293 -3.641 -3.688 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -6.982 -5.234 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -7.204 -5.204 -3.569 1.00 0.00 H new ATOM 2432 N ASN B 11 -4.398 -6.016 -3.692 1.00 0.00 N ATOM 2433 CA ASN B 11 -3.367 -7.023 -3.914 1.00 0.00 C ATOM 2434 C ASN B 11 -2.169 -6.786 -2.999 1.00 0.00 C ATOM 2435 O ASN B 11 -1.285 -5.988 -3.310 1.00 0.00 O ATOM 2436 CB ASN B 11 -2.917 -7.009 -5.376 1.00 0.00 C ATOM 2437 CG ASN B 11 -3.930 -7.659 -6.299 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -4.457 -8.731 -6.004 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -4.207 -7.009 -7.424 1.00 0.00 N ATOM 0 H ASN B 11 -4.231 -5.130 -4.169 1.00 0.00 H new ATOM 0 HA ASN B 11 -3.792 -7.999 -3.681 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -2.750 -5.979 -5.692 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -1.963 -7.529 -5.465 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -4.881 -7.397 -8.084 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -3.746 -6.122 -7.628 1.00 0.00 H new ATOM 2446 N VAL B 12 -2.147 -7.486 -1.869 1.00 0.00 N ATOM 2447 CA VAL B 12 -1.057 -7.354 -0.909 1.00 0.00 C ATOM 2448 C VAL B 12 -0.401 -8.702 -0.634 1.00 0.00 C ATOM 2449 O VAL B 12 -1.075 -9.728 -0.558 1.00 0.00 O ATOM 2450 CB VAL B 12 -1.550 -6.754 0.421 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -2.691 -7.583 0.990 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -0.405 -6.653 1.416 1.00 0.00 C ATOM 0 H VAL B 12 -2.871 -8.150 -1.596 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.324 -6.680 -1.353 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.924 -5.748 0.230 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.026 -7.144 1.930 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.519 -7.598 0.281 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.347 -8.602 1.168 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.771 -6.227 2.350 1.00 0.00 H new ATOM 0 HG22 VAL B 12 0.001 -7.647 1.605 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.377 -6.013 1.007 1.00 0.00 H new ATOM 2462 N ASN B 13 0.920 -8.692 -0.483 1.00 0.00 N ATOM 2463 CA ASN B 13 1.668 -9.914 -0.216 1.00 0.00 C ATOM 2464 C ASN B 13 2.105 -9.976 1.245 1.00 0.00 C ATOM 2465 O ASN B 13 3.265 -9.719 1.568 1.00 0.00 O ATOM 2466 CB ASN B 13 2.892 -9.998 -1.130 1.00 0.00 C ATOM 2467 CG ASN B 13 3.650 -8.687 -1.203 1.00 0.00 C ATOM 2468 OD1 ASN B 13 3.187 -7.661 -0.705 1.00 0.00 O ATOM 2469 ND2 ASN B 13 4.823 -8.715 -1.826 1.00 0.00 N ATOM 0 H ASN B 13 1.494 -7.851 -0.541 1.00 0.00 H new ATOM 0 HA ASN B 13 1.014 -10.762 -0.418 1.00 0.00 H new ATOM 0 HB2 ASN B 13 3.559 -10.781 -0.768 1.00 0.00 H new ATOM 0 HB3 ASN B 13 2.575 -10.287 -2.132 1.00 0.00 H new ATOM 0 HD21 ASN B 13 5.378 -7.863 -1.906 1.00 0.00 H new ATOM 0 HD22 ASN B 13 5.168 -9.588 -2.224 1.00 0.00 H new ATOM 2476 N TYR B 14 1.169 -10.319 2.123 1.00 0.00 N ATOM 2477 CA TYR B 14 1.456 -10.413 3.549 1.00 0.00 C ATOM 2478 C TYR B 14 2.862 -10.956 3.787 1.00 0.00 C ATOM 2479 O TYR B 14 3.268 -11.947 3.181 1.00 0.00 O ATOM 2480 CB TYR B 14 0.427 -11.309 4.240 1.00 0.00 C ATOM 2481 CG TYR B 14 -0.996 -11.047 3.800 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -1.600 -9.818 4.031 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -1.736 -12.030 3.154 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -2.900 -9.575 3.632 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -3.036 -11.796 2.750 1.00 0.00 C ATOM 2486 CZ TYR B 14 -3.614 -10.567 2.991 1.00 0.00 C ATOM 2487 OH TYR B 14 -4.909 -10.328 2.591 1.00 0.00 O ATOM 0 H TYR B 14 0.205 -10.537 1.872 1.00 0.00 H new ATOM 0 HA TYR B 14 1.397 -9.410 3.972 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.674 -12.352 4.041 1.00 0.00 H new ATOM 0 HB3 TYR B 14 0.498 -11.165 5.318 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.044 -9.039 4.531 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -1.287 -12.994 2.965 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.355 -8.614 3.821 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.597 -12.571 2.248 1.00 0.00 H new ATOM 0 HH TYR B 14 -5.269 -11.128 2.154 1.00 0.00 H new ATOM 2497 N GLY B 15 3.600 -10.299 4.676 1.00 0.00 N ATOM 2498 CA GLY B 15 4.952 -10.730 4.980 1.00 0.00 C ATOM 2499 C GLY B 15 5.093 -11.237 6.402 1.00 0.00 C ATOM 2500 O GLY B 15 5.288 -12.432 6.626 1.00 0.00 O ATOM 0 H GLY B 15 3.286 -9.476 5.191 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.243 -11.518 4.286 1.00 0.00 H new ATOM 0 HA3 GLY B 15 5.639 -9.898 4.824 1.00 0.00 H new