USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 656 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 61 ASN : amide:sc= -0.213 K(o=0.64,f=0.064) USER MOD Set 1.2: A 63 SER OG : rot 40:sc= 0.857 USER MOD Set 2.1: A 37 GLN :FLIP amide:sc= -3.41! C(o=-5.6!,f=-3.8!) USER MOD Set 2.2: A 53 CYS SG : rot 180:sc= -0.339 USER MOD Set 3.1: A 27 GLN :FLIP amide:sc= 0.361 F(o=-0.11,f=0.75) USER MOD Set 3.2: A 59 LYS NZ :NH3+ -171:sc= 0.393 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -153:sc= 0.0905 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 150:sc= -4.6! (180deg=-6.78!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -109:sc= 1.17 (180deg=-1.1) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0495 USER MOD Single : A 42 LYS NZ :NH3+ -179:sc= 0.0584 (180deg=0.0583) USER MOD Single : A 46 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.32) USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= 0.0197 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 66 ASN : amide:sc= -4.39! C(o=-4.4!,f=-5.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc= -1.73 F(o=-2.9!,f=-1.7) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN :FLIP amide:sc= -0.0471 F(o=-0.57,f=-0.047) USER MOD Single : A 84 GLN : amide:sc= -0.0298 K(o=-0.03,f=-1.5) USER MOD Single : A 85 HIS : no HD1:sc= -4.9! C(o=-4.9!,f=-5.6!) USER MOD Single : A 91 TYR OH : rot 94:sc= 0.717 USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 16 5.239 5.397 -12.774 1.00 0.00 N ATOM 181 CA ILE A 16 4.433 5.576 -11.573 1.00 0.00 C ATOM 182 C ILE A 16 4.947 6.740 -10.734 1.00 0.00 C ATOM 183 O ILE A 16 6.130 6.805 -10.403 1.00 0.00 O ATOM 184 CB ILE A 16 4.420 4.301 -10.708 1.00 0.00 C ATOM 185 CG1 ILE A 16 3.825 3.131 -11.495 1.00 0.00 C ATOM 186 CG2 ILE A 16 3.635 4.538 -9.427 1.00 0.00 C ATOM 187 CD1 ILE A 16 4.004 1.792 -10.814 1.00 0.00 C ATOM 0 HA ILE A 16 3.417 5.791 -11.905 1.00 0.00 H new ATOM 0 HB ILE A 16 5.447 4.050 -10.441 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.761 3.311 -11.650 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.289 3.093 -12.481 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.635 3.628 -8.827 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.098 5.346 -8.861 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.609 4.810 -9.674 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.558 1.009 -11.428 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.067 1.590 -10.683 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.516 1.811 -9.840 1.00 0.00 H new ATOM 199 N ASN A 17 4.048 7.658 -10.392 1.00 0.00 N ATOM 200 CA ASN A 17 4.411 8.821 -9.590 1.00 0.00 C ATOM 201 C ASN A 17 4.080 8.591 -8.119 1.00 0.00 C ATOM 202 O ASN A 17 2.925 8.702 -7.707 1.00 0.00 O ATOM 203 CB ASN A 17 3.681 10.066 -10.100 1.00 0.00 C ATOM 204 CG ASN A 17 4.320 11.351 -9.611 1.00 0.00 C ATOM 205 OD1 ASN A 17 3.877 11.942 -8.626 1.00 0.00 O ATOM 206 ND2 ASN A 17 5.368 11.790 -10.299 1.00 0.00 N ATOM 0 H ASN A 17 3.064 7.619 -10.658 1.00 0.00 H new ATOM 0 HA ASN A 17 5.486 8.975 -9.683 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.674 10.059 -11.190 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.641 10.033 -9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.840 12.649 -10.017 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.701 11.268 -11.109 1.00 0.00 H new ATOM 213 N ILE A 18 5.102 8.271 -7.332 1.00 0.00 N ATOM 214 CA ILE A 18 4.920 8.028 -5.906 1.00 0.00 C ATOM 215 C ILE A 18 4.834 9.338 -5.131 1.00 0.00 C ATOM 216 O ILE A 18 5.447 10.337 -5.507 1.00 0.00 O ATOM 217 CB ILE A 18 6.068 7.178 -5.329 1.00 0.00 C ATOM 218 CG1 ILE A 18 6.327 5.960 -6.218 1.00 0.00 C ATOM 219 CG2 ILE A 18 5.743 6.744 -3.908 1.00 0.00 C ATOM 220 CD1 ILE A 18 5.178 4.976 -6.244 1.00 0.00 C ATOM 0 H ILE A 18 6.064 8.174 -7.657 1.00 0.00 H new ATOM 0 HA ILE A 18 3.983 7.482 -5.796 1.00 0.00 H new ATOM 0 HB ILE A 18 6.973 7.785 -5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.528 6.298 -7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.224 5.449 -5.869 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.564 6.144 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.604 7.625 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.828 6.151 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.431 4.138 -6.894 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.990 4.609 -5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.284 5.471 -6.622 1.00 0.00 H new ATOM 232 N THR A 19 4.068 9.327 -4.044 1.00 0.00 N ATOM 233 CA THR A 19 3.901 10.514 -3.214 1.00 0.00 C ATOM 234 C THR A 19 3.711 10.138 -1.749 1.00 0.00 C ATOM 235 O THR A 19 3.328 9.012 -1.432 1.00 0.00 O ATOM 236 CB THR A 19 2.699 11.358 -3.677 1.00 0.00 C ATOM 237 OG1 THR A 19 1.497 10.583 -3.598 1.00 0.00 O ATOM 238 CG2 THR A 19 2.899 11.848 -5.103 1.00 0.00 C ATOM 0 H THR A 19 3.553 8.509 -3.718 1.00 0.00 H new ATOM 0 HA THR A 19 4.811 11.104 -3.319 1.00 0.00 H new ATOM 0 HB THR A 19 2.617 12.224 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.737 11.127 -3.892 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.037 12.442 -5.408 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.799 12.461 -5.154 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.005 10.993 -5.770 1.00 0.00 H new ATOM 246 N ALA A 20 3.980 11.088 -0.860 1.00 0.00 N ATOM 247 CA ALA A 20 3.835 10.858 0.572 1.00 0.00 C ATOM 248 C ALA A 20 2.475 10.248 0.895 1.00 0.00 C ATOM 249 O ALA A 20 2.347 9.446 1.819 1.00 0.00 O ATOM 250 CB ALA A 20 4.028 12.158 1.338 1.00 0.00 C ATOM 0 H ALA A 20 4.300 12.025 -1.106 1.00 0.00 H new ATOM 0 HA ALA A 20 4.604 10.150 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.917 11.971 2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.025 12.552 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.281 12.884 1.017 1.00 0.00 H new ATOM 256 N ALA A 21 1.461 10.635 0.128 1.00 0.00 N ATOM 257 CA ALA A 21 0.111 10.125 0.332 1.00 0.00 C ATOM 258 C ALA A 21 0.109 8.604 0.441 1.00 0.00 C ATOM 259 O ALA A 21 -0.697 8.027 1.172 1.00 0.00 O ATOM 260 CB ALA A 21 -0.800 10.576 -0.801 1.00 0.00 C ATOM 0 H ALA A 21 1.549 11.300 -0.640 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.266 10.531 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.805 10.188 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.832 11.665 -0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.416 10.198 -1.749 1.00 0.00 H new ATOM 266 N ILE A 22 1.014 7.962 -0.289 1.00 0.00 N ATOM 267 CA ILE A 22 1.115 6.508 -0.273 1.00 0.00 C ATOM 268 C ILE A 22 1.043 5.968 1.151 1.00 0.00 C ATOM 269 O ILE A 22 0.491 4.894 1.391 1.00 0.00 O ATOM 270 CB ILE A 22 2.425 6.028 -0.926 1.00 0.00 C ATOM 271 CG1 ILE A 22 2.450 4.501 -1.008 1.00 0.00 C ATOM 272 CG2 ILE A 22 3.625 6.542 -0.145 1.00 0.00 C ATOM 273 CD1 ILE A 22 3.305 3.970 -2.137 1.00 0.00 C ATOM 0 H ILE A 22 1.688 8.425 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 22 0.271 6.126 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 22 2.477 6.428 -1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.820 4.101 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.431 4.135 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.543 6.195 -0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.612 7.632 -0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.581 6.168 0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.276 2.880 -2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.923 4.341 -3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.333 4.306 -2.003 1.00 0.00 H new ATOM 285 N TYR A 23 1.602 6.720 2.092 1.00 0.00 N ATOM 286 CA TYR A 23 1.602 6.317 3.494 1.00 0.00 C ATOM 287 C TYR A 23 0.185 6.320 4.061 1.00 0.00 C ATOM 288 O TYR A 23 -0.234 5.367 4.720 1.00 0.00 O ATOM 289 CB TYR A 23 2.494 7.249 4.315 1.00 0.00 C ATOM 290 CG TYR A 23 3.962 7.139 3.973 1.00 0.00 C ATOM 291 CD1 TYR A 23 4.681 5.988 4.272 1.00 0.00 C ATOM 292 CD2 TYR A 23 4.631 8.185 3.350 1.00 0.00 C ATOM 293 CE1 TYR A 23 6.023 5.883 3.962 1.00 0.00 C ATOM 294 CE2 TYR A 23 5.973 8.088 3.035 1.00 0.00 C ATOM 295 CZ TYR A 23 6.664 6.935 3.344 1.00 0.00 C ATOM 296 OH TYR A 23 8.001 6.834 3.032 1.00 0.00 O ATOM 0 H TYR A 23 2.061 7.612 1.910 1.00 0.00 H new ATOM 0 HA TYR A 23 1.996 5.303 3.554 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.170 8.278 4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.359 7.028 5.374 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.182 5.161 4.755 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.093 9.090 3.108 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.567 4.982 4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.478 8.910 2.550 1.00 0.00 H new ATOM 0 HH TYR A 23 8.401 7.728 3.013 1.00 0.00 H new ATOM 306 N ASP A 24 -0.547 7.397 3.800 1.00 0.00 N ATOM 307 CA ASP A 24 -1.918 7.524 4.282 1.00 0.00 C ATOM 308 C ASP A 24 -2.793 6.401 3.735 1.00 0.00 C ATOM 309 O ASP A 24 -3.536 5.763 4.480 1.00 0.00 O ATOM 310 CB ASP A 24 -2.498 8.881 3.880 1.00 0.00 C ATOM 311 CG ASP A 24 -2.233 9.954 4.917 1.00 0.00 C ATOM 312 OD1 ASP A 24 -2.985 10.015 5.913 1.00 0.00 O ATOM 313 OD2 ASP A 24 -1.275 10.733 4.734 1.00 0.00 O ATOM 0 H ASP A 24 -0.215 8.194 3.258 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.903 7.451 5.369 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.069 9.188 2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.573 8.783 3.729 1.00 0.00 H new ATOM 318 N GLU A 25 -2.699 6.166 2.430 1.00 0.00 N ATOM 319 CA GLU A 25 -3.485 5.120 1.785 1.00 0.00 C ATOM 320 C GLU A 25 -3.280 3.778 2.481 1.00 0.00 C ATOM 321 O GLU A 25 -4.209 2.977 2.592 1.00 0.00 O ATOM 322 CB GLU A 25 -3.104 5.004 0.307 1.00 0.00 C ATOM 323 CG GLU A 25 -3.196 6.318 -0.450 1.00 0.00 C ATOM 324 CD GLU A 25 -3.524 6.123 -1.918 1.00 0.00 C ATOM 325 OE1 GLU A 25 -4.110 5.075 -2.260 1.00 0.00 O ATOM 326 OE2 GLU A 25 -3.196 7.019 -2.724 1.00 0.00 O ATOM 0 H GLU A 25 -2.088 6.685 1.799 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.538 5.392 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.086 4.622 0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.755 4.273 -0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.960 6.945 0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.250 6.852 -0.361 1.00 0.00 H new ATOM 333 N ILE A 26 -2.059 3.540 2.948 1.00 0.00 N ATOM 334 CA ILE A 26 -1.733 2.296 3.633 1.00 0.00 C ATOM 335 C ILE A 26 -2.505 2.171 4.943 1.00 0.00 C ATOM 336 O ILE A 26 -3.058 1.116 5.250 1.00 0.00 O ATOM 337 CB ILE A 26 -0.225 2.194 3.928 1.00 0.00 C ATOM 338 CG1 ILE A 26 0.570 2.149 2.621 1.00 0.00 C ATOM 339 CG2 ILE A 26 0.068 0.965 4.775 1.00 0.00 C ATOM 340 CD1 ILE A 26 1.976 2.693 2.750 1.00 0.00 C ATOM 0 H ILE A 26 -1.279 4.192 2.864 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.020 1.484 2.965 1.00 0.00 H new ATOM 0 HB ILE A 26 0.081 3.078 4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.619 1.118 2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.037 2.720 1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.138 0.907 4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.474 1.036 5.718 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.250 0.070 4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.480 2.630 1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.935 3.734 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.527 2.108 3.486 1.00 0.00 H new ATOM 352 N GLN A 27 -2.538 3.256 5.709 1.00 0.00 N ATOM 353 CA GLN A 27 -3.243 3.268 6.986 1.00 0.00 C ATOM 354 C GLN A 27 -4.727 2.974 6.790 1.00 0.00 C ATOM 355 O GLN A 27 -5.272 2.055 7.401 1.00 0.00 O ATOM 356 CB GLN A 27 -3.066 4.621 7.677 1.00 0.00 C ATOM 357 CG GLN A 27 -1.613 4.992 7.926 1.00 0.00 C ATOM 358 CD GLN A 27 -1.459 6.078 8.972 1.00 0.00 C ATOM 359 OE1 GLN A 27 -1.852 7.298 8.622 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 -0.991 5.825 10.083 1.00 0.00 N flip ATOM 0 H GLN A 27 -2.085 4.138 5.468 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.816 2.488 7.616 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.530 5.395 7.066 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.597 4.605 8.629 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.065 4.105 8.245 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.162 5.326 6.992 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.702 4.874 10.310 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.893 6.567 10.776 1.00 0.00 H new ATOM 369 N GLN A 28 -5.374 3.760 5.936 1.00 0.00 N ATOM 370 CA GLN A 28 -6.795 3.583 5.662 1.00 0.00 C ATOM 371 C GLN A 28 -7.057 2.236 4.996 1.00 0.00 C ATOM 372 O GLN A 28 -7.934 1.485 5.420 1.00 0.00 O ATOM 373 CB GLN A 28 -7.308 4.715 4.770 1.00 0.00 C ATOM 374 CG GLN A 28 -7.159 6.094 5.391 1.00 0.00 C ATOM 375 CD GLN A 28 -8.041 7.133 4.727 1.00 0.00 C ATOM 376 OE1 GLN A 28 -9.072 7.529 5.272 1.00 0.00 O ATOM 377 NE2 GLN A 28 -7.641 7.580 3.542 1.00 0.00 N ATOM 0 H GLN A 28 -4.937 4.525 5.422 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.329 3.608 6.612 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.769 4.692 3.823 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.360 4.540 4.543 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.405 6.039 6.451 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.118 6.409 5.321 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.780 7.224 3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.195 8.279 3.047 1.00 0.00 H new ATOM 386 N GLU A 29 -6.292 1.939 3.951 1.00 0.00 N ATOM 387 CA GLU A 29 -6.443 0.683 3.226 1.00 0.00 C ATOM 388 C GLU A 29 -6.531 -0.495 4.192 1.00 0.00 C ATOM 389 O GLU A 29 -7.309 -1.426 3.984 1.00 0.00 O ATOM 390 CB GLU A 29 -5.273 0.480 2.262 1.00 0.00 C ATOM 391 CG GLU A 29 -5.361 -0.808 1.460 1.00 0.00 C ATOM 392 CD GLU A 29 -6.721 -1.003 0.818 1.00 0.00 C ATOM 393 OE1 GLU A 29 -7.275 -0.018 0.288 1.00 0.00 O ATOM 394 OE2 GLU A 29 -7.231 -2.143 0.847 1.00 0.00 O ATOM 0 H GLU A 29 -5.561 2.551 3.587 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.370 0.732 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.230 1.324 1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.342 0.482 2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.595 -0.802 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.147 -1.654 2.113 1.00 0.00 H new ATOM 401 N MET A 30 -5.725 -0.448 5.249 1.00 0.00 N ATOM 402 CA MET A 30 -5.712 -1.511 6.247 1.00 0.00 C ATOM 403 C MET A 30 -7.060 -1.609 6.954 1.00 0.00 C ATOM 404 O MET A 30 -7.706 -2.657 6.937 1.00 0.00 O ATOM 405 CB MET A 30 -4.602 -1.263 7.271 1.00 0.00 C ATOM 406 CG MET A 30 -3.275 -1.901 6.895 1.00 0.00 C ATOM 407 SD MET A 30 -2.011 -1.673 8.161 1.00 0.00 S ATOM 408 CE MET A 30 -1.240 -0.157 7.600 1.00 0.00 C ATOM 0 H MET A 30 -5.073 0.314 5.436 1.00 0.00 H new ATOM 0 HA MET A 30 -5.521 -2.454 5.736 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.459 -0.189 7.387 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.920 -1.649 8.240 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.424 -2.967 6.724 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.924 -1.474 5.956 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.854 0.394 8.458 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.420 -0.395 6.922 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.976 0.454 7.078 1.00 0.00 H new ATOM 418 N LYS A 31 -7.478 -0.513 7.576 1.00 0.00 N ATOM 419 CA LYS A 31 -8.750 -0.474 8.289 1.00 0.00 C ATOM 420 C LYS A 31 -9.906 -0.821 7.357 1.00 0.00 C ATOM 421 O LYS A 31 -10.974 -1.238 7.806 1.00 0.00 O ATOM 422 CB LYS A 31 -8.973 0.910 8.903 1.00 0.00 C ATOM 423 CG LYS A 31 -9.723 1.866 7.991 1.00 0.00 C ATOM 424 CD LYS A 31 -11.224 1.776 8.204 1.00 0.00 C ATOM 425 CE LYS A 31 -11.697 2.761 9.263 1.00 0.00 C ATOM 426 NZ LYS A 31 -12.118 4.058 8.665 1.00 0.00 N ATOM 0 H LYS A 31 -6.954 0.362 7.601 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.714 -1.216 9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.527 0.800 9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.007 1.346 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.388 2.886 8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.488 1.639 6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.739 1.976 7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.490 0.762 8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.531 2.328 9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.896 2.935 9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.433 4.702 9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.315 4.484 8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.900 3.896 7.999 1.00 0.00 H new ATOM 440 N ARG A 32 -9.686 -0.647 6.058 1.00 0.00 N ATOM 441 CA ARG A 32 -10.710 -0.942 5.063 1.00 0.00 C ATOM 442 C ARG A 32 -10.722 -2.429 4.719 1.00 0.00 C ATOM 443 O ARG A 32 -11.783 -3.038 4.589 1.00 0.00 O ATOM 444 CB ARG A 32 -10.475 -0.116 3.797 1.00 0.00 C ATOM 445 CG ARG A 32 -11.753 0.234 3.052 1.00 0.00 C ATOM 446 CD ARG A 32 -12.359 1.530 3.565 1.00 0.00 C ATOM 447 NE ARG A 32 -13.173 2.193 2.549 1.00 0.00 N ATOM 448 CZ ARG A 32 -13.886 3.290 2.779 1.00 0.00 C ATOM 449 NH1 ARG A 32 -13.885 3.845 3.983 1.00 0.00 N ATOM 450 NH2 ARG A 32 -14.601 3.835 1.802 1.00 0.00 N ATOM 0 H ARG A 32 -8.808 -0.303 5.670 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.679 -0.677 5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.957 0.805 4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.815 -0.670 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.541 0.327 1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.474 -0.576 3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.972 1.321 4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.562 2.201 3.886 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.195 1.792 1.612 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.336 3.430 4.736 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.433 4.687 4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.603 3.411 0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.148 4.677 1.979 1.00 0.00 H new ATOM 464 N ALA A 33 -9.533 -3.006 4.571 1.00 0.00 N ATOM 465 CA ALA A 33 -9.406 -4.420 4.243 1.00 0.00 C ATOM 466 C ALA A 33 -9.429 -5.280 5.502 1.00 0.00 C ATOM 467 O ALA A 33 -9.507 -6.506 5.428 1.00 0.00 O ATOM 468 CB ALA A 33 -8.128 -4.667 3.456 1.00 0.00 C ATOM 0 H ALA A 33 -8.645 -2.515 4.673 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.259 -4.702 3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.046 -5.728 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.152 -4.089 2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.268 -4.362 4.053 1.00 0.00 H new ATOM 474 N LYS A 34 -9.359 -4.629 6.658 1.00 0.00 N ATOM 475 CA LYS A 34 -9.372 -5.333 7.935 1.00 0.00 C ATOM 476 C LYS A 34 -8.110 -6.172 8.107 1.00 0.00 C ATOM 477 O LYS A 34 -8.172 -7.326 8.529 1.00 0.00 O ATOM 478 CB LYS A 34 -10.609 -6.228 8.035 1.00 0.00 C ATOM 479 CG LYS A 34 -11.849 -5.626 7.396 1.00 0.00 C ATOM 480 CD LYS A 34 -12.583 -4.708 8.360 1.00 0.00 C ATOM 481 CE LYS A 34 -11.634 -3.718 9.017 1.00 0.00 C ATOM 482 NZ LYS A 34 -12.359 -2.541 9.573 1.00 0.00 N ATOM 0 H LYS A 34 -9.293 -3.614 6.737 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.404 -4.589 8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.394 -7.185 7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.815 -6.433 9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.565 -5.067 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.517 -6.424 7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.363 -4.166 7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.077 -5.304 9.127 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.084 -4.217 9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.899 -3.380 8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.153 -1.701 8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.382 -2.727 9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.048 -2.372 10.551 1.00 0.00 H new ATOM 496 N VAL A 35 -6.964 -5.583 7.778 1.00 0.00 N ATOM 497 CA VAL A 35 -5.687 -6.275 7.898 1.00 0.00 C ATOM 498 C VAL A 35 -4.748 -5.536 8.845 1.00 0.00 C ATOM 499 O VAL A 35 -5.094 -4.484 9.383 1.00 0.00 O ATOM 500 CB VAL A 35 -5.000 -6.428 6.528 1.00 0.00 C ATOM 501 CG1 VAL A 35 -5.992 -6.921 5.485 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.372 -5.111 6.097 1.00 0.00 C ATOM 0 H VAL A 35 -6.895 -4.628 7.426 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.901 -7.265 8.302 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.207 -7.170 6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.489 -7.023 4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.390 -7.888 5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.809 -6.205 5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.891 -5.237 5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.145 -4.347 6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.629 -4.804 6.833 1.00 0.00 H new ATOM 512 N SER A 36 -3.558 -6.093 9.044 1.00 0.00 N ATOM 513 CA SER A 36 -2.569 -5.488 9.929 1.00 0.00 C ATOM 514 C SER A 36 -1.335 -5.051 9.147 1.00 0.00 C ATOM 515 O SER A 36 -1.048 -5.580 8.073 1.00 0.00 O ATOM 516 CB SER A 36 -2.168 -6.474 11.029 1.00 0.00 C ATOM 517 OG SER A 36 -0.908 -6.134 11.583 1.00 0.00 O ATOM 0 H SER A 36 -3.255 -6.962 8.605 1.00 0.00 H new ATOM 0 HA SER A 36 -3.018 -4.606 10.387 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.925 -6.477 11.813 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.129 -7.484 10.620 1.00 0.00 H new ATOM 0 HG SER A 36 -0.675 -6.777 12.284 1.00 0.00 H new ATOM 523 N GLN A 37 -0.609 -4.081 9.693 1.00 0.00 N ATOM 524 CA GLN A 37 0.595 -3.571 9.047 1.00 0.00 C ATOM 525 C GLN A 37 1.464 -4.715 8.534 1.00 0.00 C ATOM 526 O GLN A 37 2.134 -4.588 7.510 1.00 0.00 O ATOM 527 CB GLN A 37 1.394 -2.704 10.021 1.00 0.00 C ATOM 528 CG GLN A 37 0.534 -2.009 11.064 1.00 0.00 C ATOM 529 CD GLN A 37 1.209 -0.788 11.657 1.00 0.00 C ATOM 530 OE1 GLN A 37 1.725 0.081 10.795 1.00 0.00 O flip ATOM 531 NE2 GLN A 37 1.267 -0.628 12.876 1.00 0.00 N flip ATOM 0 H GLN A 37 -0.833 -3.632 10.581 1.00 0.00 H new ATOM 0 HA GLN A 37 0.290 -2.962 8.196 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.132 -3.327 10.527 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.945 -1.952 9.457 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.412 -1.712 10.611 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.298 -2.713 11.862 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.857 -1.322 13.501 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.725 0.198 13.261 1.00 0.00 H new ATOM 540 N ALA A 38 1.447 -5.832 9.254 1.00 0.00 N ATOM 541 CA ALA A 38 2.232 -6.999 8.872 1.00 0.00 C ATOM 542 C ALA A 38 1.691 -7.630 7.593 1.00 0.00 C ATOM 543 O ALA A 38 2.454 -7.993 6.697 1.00 0.00 O ATOM 544 CB ALA A 38 2.246 -8.020 10.000 1.00 0.00 C ATOM 0 H ALA A 38 0.898 -5.953 10.105 1.00 0.00 H new ATOM 0 HA ALA A 38 3.254 -6.671 8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.836 -8.886 9.700 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.686 -7.572 10.891 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.226 -8.335 10.219 1.00 0.00 H new ATOM 550 N LEU A 39 0.371 -7.758 7.515 1.00 0.00 N ATOM 551 CA LEU A 39 -0.273 -8.345 6.345 1.00 0.00 C ATOM 552 C LEU A 39 -0.121 -7.439 5.127 1.00 0.00 C ATOM 553 O LEU A 39 0.517 -7.809 4.141 1.00 0.00 O ATOM 554 CB LEU A 39 -1.755 -8.596 6.626 1.00 0.00 C ATOM 555 CG LEU A 39 -2.551 -9.252 5.497 1.00 0.00 C ATOM 556 CD1 LEU A 39 -1.844 -10.504 5.003 1.00 0.00 C ATOM 557 CD2 LEU A 39 -3.962 -9.582 5.961 1.00 0.00 C ATOM 0 H LEU A 39 -0.274 -7.463 8.248 1.00 0.00 H new ATOM 0 HA LEU A 39 0.216 -9.295 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.835 -9.225 7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.225 -7.643 6.868 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.618 -8.547 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.425 -10.957 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.854 -10.240 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.745 -11.214 5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.514 -10.048 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.916 -10.269 6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.469 -8.666 6.265 1.00 0.00 H new ATOM 569 N PHE A 40 -0.709 -6.250 5.203 1.00 0.00 N ATOM 570 CA PHE A 40 -0.638 -5.291 4.108 1.00 0.00 C ATOM 571 C PHE A 40 0.776 -5.216 3.541 1.00 0.00 C ATOM 572 O PHE A 40 0.966 -5.083 2.332 1.00 0.00 O ATOM 573 CB PHE A 40 -1.082 -3.906 4.585 1.00 0.00 C ATOM 574 CG PHE A 40 -0.926 -2.835 3.544 1.00 0.00 C ATOM 575 CD1 PHE A 40 0.329 -2.353 3.210 1.00 0.00 C ATOM 576 CD2 PHE A 40 -2.034 -2.310 2.899 1.00 0.00 C ATOM 577 CE1 PHE A 40 0.476 -1.366 2.254 1.00 0.00 C ATOM 578 CE2 PHE A 40 -1.894 -1.324 1.941 1.00 0.00 C ATOM 579 CZ PHE A 40 -0.637 -0.852 1.617 1.00 0.00 C ATOM 0 H PHE A 40 -1.240 -5.928 6.012 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.310 -5.629 3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.127 -3.954 4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.503 -3.631 5.467 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.203 -2.753 3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.019 -2.676 3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.460 -0.997 2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.766 -0.923 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.524 -0.083 0.867 1.00 0.00 H new ATOM 589 N ALA A 41 1.766 -5.301 4.424 1.00 0.00 N ATOM 590 CA ALA A 41 3.164 -5.245 4.012 1.00 0.00 C ATOM 591 C ALA A 41 3.642 -6.601 3.504 1.00 0.00 C ATOM 592 O ALA A 41 4.590 -6.684 2.723 1.00 0.00 O ATOM 593 CB ALA A 41 4.035 -4.774 5.167 1.00 0.00 C ATOM 0 H ALA A 41 1.626 -5.409 5.429 1.00 0.00 H new ATOM 0 HA ALA A 41 3.248 -4.531 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.076 -4.737 4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.716 -3.780 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.938 -5.467 6.002 1.00 0.00 H new ATOM 599 N LYS A 42 2.980 -7.662 3.953 1.00 0.00 N ATOM 600 CA LYS A 42 3.336 -9.015 3.545 1.00 0.00 C ATOM 601 C LYS A 42 2.705 -9.362 2.200 1.00 0.00 C ATOM 602 O LYS A 42 3.224 -10.193 1.455 1.00 0.00 O ATOM 603 CB LYS A 42 2.889 -10.025 4.605 1.00 0.00 C ATOM 604 CG LYS A 42 3.339 -11.447 4.319 1.00 0.00 C ATOM 605 CD LYS A 42 2.337 -12.185 3.448 1.00 0.00 C ATOM 606 CE LYS A 42 3.017 -13.229 2.576 1.00 0.00 C ATOM 607 NZ LYS A 42 3.363 -14.455 3.347 1.00 0.00 N ATOM 0 H LYS A 42 2.193 -7.610 4.600 1.00 0.00 H new ATOM 0 HA LYS A 42 4.420 -9.062 3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.280 -9.718 5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.802 -10.005 4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.310 -11.430 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.470 -11.984 5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.591 -12.667 4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.807 -11.471 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.360 -13.494 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.923 -12.805 2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.840 -15.135 2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.997 -14.204 4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.494 -14.883 3.726 1.00 0.00 H new ATOM 621 N VAL A 43 1.584 -8.717 1.894 1.00 0.00 N ATOM 622 CA VAL A 43 0.884 -8.955 0.637 1.00 0.00 C ATOM 623 C VAL A 43 1.146 -7.831 -0.359 1.00 0.00 C ATOM 624 O VAL A 43 0.824 -7.948 -1.541 1.00 0.00 O ATOM 625 CB VAL A 43 -0.635 -9.086 0.857 1.00 0.00 C ATOM 626 CG1 VAL A 43 -0.956 -10.366 1.615 1.00 0.00 C ATOM 627 CG2 VAL A 43 -1.174 -7.870 1.595 1.00 0.00 C ATOM 0 H VAL A 43 1.141 -8.026 2.499 1.00 0.00 H new ATOM 0 HA VAL A 43 1.268 -9.892 0.233 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.123 -9.136 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.033 -10.442 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.606 -11.225 1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.458 -10.349 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.248 -7.980 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.682 -7.785 2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.978 -6.972 1.009 1.00 0.00 H new ATOM 637 N ALA A 44 1.735 -6.743 0.126 1.00 0.00 N ATOM 638 CA ALA A 44 2.044 -5.599 -0.723 1.00 0.00 C ATOM 639 C ALA A 44 3.525 -5.567 -1.084 1.00 0.00 C ATOM 640 O ALA A 44 3.889 -5.630 -2.257 1.00 0.00 O ATOM 641 CB ALA A 44 1.639 -4.305 -0.032 1.00 0.00 C ATOM 0 H ALA A 44 2.008 -6.630 1.102 1.00 0.00 H new ATOM 0 HA ALA A 44 1.474 -5.699 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.875 -3.459 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.568 -4.320 0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.183 -4.208 0.907 1.00 0.00 H new ATOM 647 N ALA A 45 4.375 -5.468 -0.067 1.00 0.00 N ATOM 648 CA ALA A 45 5.817 -5.429 -0.278 1.00 0.00 C ATOM 649 C ALA A 45 6.474 -6.726 0.182 1.00 0.00 C ATOM 650 O ALA A 45 7.681 -6.908 0.030 1.00 0.00 O ATOM 651 CB ALA A 45 6.424 -4.239 0.451 1.00 0.00 C ATOM 0 H ALA A 45 4.090 -5.413 0.911 1.00 0.00 H new ATOM 0 HA ALA A 45 6.001 -5.319 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.501 -4.222 0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.984 -3.317 0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.223 -4.325 1.519 1.00 0.00 H new ATOM 657 N ASN A 46 5.672 -7.623 0.746 1.00 0.00 N ATOM 658 CA ASN A 46 6.176 -8.903 1.229 1.00 0.00 C ATOM 659 C ASN A 46 7.237 -8.698 2.306 1.00 0.00 C ATOM 660 O ASN A 46 8.095 -9.555 2.521 1.00 0.00 O ATOM 661 CB ASN A 46 6.760 -9.715 0.071 1.00 0.00 C ATOM 662 CG ASN A 46 6.955 -11.175 0.429 1.00 0.00 C ATOM 663 OD1 ASN A 46 6.003 -11.873 0.779 1.00 0.00 O ATOM 664 ND2 ASN A 46 8.194 -11.645 0.345 1.00 0.00 N ATOM 0 H ASN A 46 4.670 -7.487 0.880 1.00 0.00 H new ATOM 0 HA ASN A 46 5.342 -9.452 1.665 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.098 -9.641 -0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.717 -9.285 -0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.386 -12.620 0.575 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.953 -11.031 0.050 1.00 0.00 H new ATOM 671 N LYS A 47 7.173 -7.556 2.982 1.00 0.00 N ATOM 672 CA LYS A 47 8.125 -7.236 4.039 1.00 0.00 C ATOM 673 C LYS A 47 7.544 -7.561 5.412 1.00 0.00 C ATOM 674 O LYS A 47 6.428 -8.068 5.519 1.00 0.00 O ATOM 675 CB LYS A 47 8.514 -5.757 3.975 1.00 0.00 C ATOM 676 CG LYS A 47 9.664 -5.472 3.025 1.00 0.00 C ATOM 677 CD LYS A 47 11.006 -5.566 3.732 1.00 0.00 C ATOM 678 CE LYS A 47 12.032 -4.633 3.107 1.00 0.00 C ATOM 679 NZ LYS A 47 13.316 -4.636 3.861 1.00 0.00 N ATOM 0 H LYS A 47 6.470 -6.835 2.816 1.00 0.00 H new ATOM 0 HA LYS A 47 9.016 -7.846 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.646 -5.175 3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.787 -5.418 4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.637 -6.180 2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.546 -4.477 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.881 -5.318 4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.371 -6.592 3.687 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.216 -4.934 2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.631 -3.620 3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.105 -4.476 3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.301 -3.880 4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.439 -5.555 4.333 1.00 0.00 H new ATOM 693 N SER A 48 8.308 -7.264 6.458 1.00 0.00 N ATOM 694 CA SER A 48 7.870 -7.526 7.824 1.00 0.00 C ATOM 695 C SER A 48 7.229 -6.285 8.436 1.00 0.00 C ATOM 696 O SER A 48 7.625 -5.159 8.138 1.00 0.00 O ATOM 697 CB SER A 48 9.051 -7.981 8.683 1.00 0.00 C ATOM 698 OG SER A 48 9.235 -9.384 8.596 1.00 0.00 O ATOM 0 H SER A 48 9.234 -6.842 6.386 1.00 0.00 H new ATOM 0 HA SER A 48 7.125 -8.321 7.794 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.958 -7.471 8.359 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.880 -7.697 9.721 1.00 0.00 H new ATOM 0 HG SER A 48 9.997 -9.649 9.153 1.00 0.00 H new ATOM 704 N GLN A 49 6.237 -6.501 9.294 1.00 0.00 N ATOM 705 CA GLN A 49 5.540 -5.400 9.949 1.00 0.00 C ATOM 706 C GLN A 49 6.511 -4.282 10.315 1.00 0.00 C ATOM 707 O GLN A 49 6.292 -3.120 9.976 1.00 0.00 O ATOM 708 CB GLN A 49 4.821 -5.898 11.204 1.00 0.00 C ATOM 709 CG GLN A 49 3.615 -5.056 11.588 1.00 0.00 C ATOM 710 CD GLN A 49 3.307 -5.121 13.071 1.00 0.00 C ATOM 711 OE1 GLN A 49 3.763 -4.283 13.849 1.00 0.00 O ATOM 712 NE2 GLN A 49 2.529 -6.120 13.471 1.00 0.00 N ATOM 0 H GLN A 49 5.898 -7.428 9.552 1.00 0.00 H new ATOM 0 HA GLN A 49 4.804 -5.003 9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.499 -6.927 11.044 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.525 -5.910 12.036 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.795 -4.019 11.303 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.746 -5.395 11.025 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.173 -6.792 12.792 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.288 -6.215 14.457 1.00 0.00 H new ATOM 721 N GLY A 50 7.586 -4.642 11.010 1.00 0.00 N ATOM 722 CA GLY A 50 8.574 -3.658 11.411 1.00 0.00 C ATOM 723 C GLY A 50 8.941 -2.713 10.284 1.00 0.00 C ATOM 724 O GLY A 50 9.122 -1.515 10.504 1.00 0.00 O ATOM 0 H GLY A 50 7.790 -5.598 11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.188 -3.083 12.253 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.471 -4.170 11.759 1.00 0.00 H new ATOM 728 N TRP A 51 9.053 -3.251 9.075 1.00 0.00 N ATOM 729 CA TRP A 51 9.403 -2.447 7.910 1.00 0.00 C ATOM 730 C TRP A 51 8.251 -1.529 7.516 1.00 0.00 C ATOM 731 O TRP A 51 8.466 -0.391 7.097 1.00 0.00 O ATOM 732 CB TRP A 51 9.776 -3.351 6.734 1.00 0.00 C ATOM 733 CG TRP A 51 10.073 -2.596 5.474 1.00 0.00 C ATOM 734 CD1 TRP A 51 11.296 -2.162 5.048 1.00 0.00 C ATOM 735 CD2 TRP A 51 9.129 -2.183 4.480 1.00 0.00 C ATOM 736 NE1 TRP A 51 11.169 -1.505 3.848 1.00 0.00 N ATOM 737 CE2 TRP A 51 9.850 -1.505 3.477 1.00 0.00 C ATOM 738 CE3 TRP A 51 7.746 -2.322 4.337 1.00 0.00 C ATOM 739 CZ2 TRP A 51 9.233 -0.967 2.351 1.00 0.00 C ATOM 740 CZ3 TRP A 51 7.135 -1.788 3.219 1.00 0.00 C ATOM 741 CH2 TRP A 51 7.877 -1.118 2.237 1.00 0.00 C ATOM 0 H TRP A 51 8.907 -4.241 8.876 1.00 0.00 H new ATOM 0 HA TRP A 51 10.262 -1.829 8.171 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.647 -3.947 7.006 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.959 -4.048 6.547 1.00 0.00 H new ATOM 0 HD1 TRP A 51 12.226 -2.313 5.576 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.933 -1.085 3.319 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.165 -2.838 5.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.804 -0.449 1.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.066 -1.889 3.100 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.370 -0.713 1.374 1.00 0.00 H new ATOM 752 N LEU A 52 7.028 -2.030 7.653 1.00 0.00 N ATOM 753 CA LEU A 52 5.841 -1.254 7.312 1.00 0.00 C ATOM 754 C LEU A 52 5.555 -0.199 8.375 1.00 0.00 C ATOM 755 O LEU A 52 5.548 0.999 8.090 1.00 0.00 O ATOM 756 CB LEU A 52 4.631 -2.177 7.155 1.00 0.00 C ATOM 757 CG LEU A 52 3.373 -1.541 6.564 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.951 -0.331 7.383 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.605 -1.149 5.112 1.00 0.00 C ATOM 0 H LEU A 52 6.833 -2.970 7.998 1.00 0.00 H new ATOM 0 HA LEU A 52 6.029 -0.747 6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.920 -3.017 6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.381 -2.585 8.134 1.00 0.00 H new ATOM 0 HG LEU A 52 2.568 -2.275 6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.054 0.108 6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.743 -0.640 8.407 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.753 0.407 7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.699 -0.698 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.424 -0.432 5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.859 -2.036 4.532 1.00 0.00 H new ATOM 771 N CYS A 53 5.322 -0.651 9.602 1.00 0.00 N ATOM 772 CA CYS A 53 5.038 0.254 10.710 1.00 0.00 C ATOM 773 C CYS A 53 5.878 1.523 10.605 1.00 0.00 C ATOM 774 O CYS A 53 5.355 2.633 10.697 1.00 0.00 O ATOM 775 CB CYS A 53 5.306 -0.441 12.046 1.00 0.00 C ATOM 776 SG CYS A 53 4.252 0.129 13.400 1.00 0.00 S ATOM 0 H CYS A 53 5.324 -1.639 9.855 1.00 0.00 H new ATOM 0 HA CYS A 53 3.985 0.532 10.659 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.167 -1.515 11.919 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.349 -0.285 12.322 1.00 0.00 H new ATOM 0 HG CYS A 53 4.553 -0.519 14.486 1.00 0.00 H new ATOM 782 N GLU A 54 7.182 1.349 10.413 1.00 0.00 N ATOM 783 CA GLU A 54 8.093 2.481 10.298 1.00 0.00 C ATOM 784 C GLU A 54 7.617 3.457 9.226 1.00 0.00 C ATOM 785 O GLU A 54 7.416 4.642 9.495 1.00 0.00 O ATOM 786 CB GLU A 54 9.506 1.995 9.969 1.00 0.00 C ATOM 787 CG GLU A 54 10.112 1.110 11.046 1.00 0.00 C ATOM 788 CD GLU A 54 11.140 0.141 10.494 1.00 0.00 C ATOM 789 OE1 GLU A 54 11.147 -0.080 9.265 1.00 0.00 O ATOM 790 OE2 GLU A 54 11.936 -0.397 11.292 1.00 0.00 O ATOM 0 H GLU A 54 7.630 0.436 10.334 1.00 0.00 H new ATOM 0 HA GLU A 54 8.108 3.000 11.256 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.482 1.444 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.152 2.860 9.815 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.580 1.737 11.805 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.318 0.550 11.540 1.00 0.00 H new ATOM 797 N LEU A 55 7.439 2.951 8.011 1.00 0.00 N ATOM 798 CA LEU A 55 6.986 3.777 6.897 1.00 0.00 C ATOM 799 C LEU A 55 5.885 4.735 7.342 1.00 0.00 C ATOM 800 O LEU A 55 5.845 5.891 6.918 1.00 0.00 O ATOM 801 CB LEU A 55 6.480 2.895 5.755 1.00 0.00 C ATOM 802 CG LEU A 55 7.521 2.482 4.713 1.00 0.00 C ATOM 803 CD1 LEU A 55 8.877 2.270 5.369 1.00 0.00 C ATOM 804 CD2 LEU A 55 7.076 1.223 3.984 1.00 0.00 C ATOM 0 H LEU A 55 7.601 1.973 7.772 1.00 0.00 H new ATOM 0 HA LEU A 55 7.833 4.365 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.047 1.992 6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.674 3.423 5.245 1.00 0.00 H new ATOM 0 HG LEU A 55 7.615 3.286 3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.605 1.977 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.200 3.196 5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.799 1.485 6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.829 0.944 3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.953 0.412 4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.127 1.410 3.481 1.00 0.00 H new ATOM 816 N LEU A 56 4.995 4.248 8.199 1.00 0.00 N ATOM 817 CA LEU A 56 3.894 5.061 8.703 1.00 0.00 C ATOM 818 C LEU A 56 4.360 5.962 9.843 1.00 0.00 C ATOM 819 O LEU A 56 3.798 7.033 10.069 1.00 0.00 O ATOM 820 CB LEU A 56 2.750 4.165 9.182 1.00 0.00 C ATOM 821 CG LEU A 56 2.364 3.015 8.251 1.00 0.00 C ATOM 822 CD1 LEU A 56 1.195 2.231 8.827 1.00 0.00 C ATOM 823 CD2 LEU A 56 2.023 3.542 6.865 1.00 0.00 C ATOM 0 H LEU A 56 5.014 3.294 8.560 1.00 0.00 H new ATOM 0 HA LEU A 56 3.538 5.691 7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.024 3.746 10.150 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.870 4.788 9.342 1.00 0.00 H new ATOM 0 HG LEU A 56 3.218 2.343 8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.934 1.417 8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.475 1.821 9.798 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.337 2.892 8.946 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.751 2.710 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.186 4.236 6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.888 4.058 6.449 1.00 0.00 H new ATOM 835 N ARG A 57 5.392 5.520 10.555 1.00 0.00 N ATOM 836 CA ARG A 57 5.934 6.287 11.670 1.00 0.00 C ATOM 837 C ARG A 57 6.763 7.465 11.167 1.00 0.00 C ATOM 838 O ARG A 57 6.485 8.618 11.497 1.00 0.00 O ATOM 839 CB ARG A 57 6.792 5.390 12.564 1.00 0.00 C ATOM 840 CG ARG A 57 7.631 6.159 13.572 1.00 0.00 C ATOM 841 CD ARG A 57 8.479 5.223 14.419 1.00 0.00 C ATOM 842 NE ARG A 57 8.722 5.763 15.755 1.00 0.00 N ATOM 843 CZ ARG A 57 9.264 5.061 16.744 1.00 0.00 C ATOM 844 NH1 ARG A 57 9.617 3.798 16.549 1.00 0.00 N ATOM 845 NH2 ARG A 57 9.454 5.623 17.931 1.00 0.00 N ATOM 0 H ARG A 57 5.869 4.636 10.380 1.00 0.00 H new ATOM 0 HA ARG A 57 5.098 6.675 12.252 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.143 4.696 13.098 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.452 4.791 11.937 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.277 6.863 13.048 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.978 6.746 14.218 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.980 4.258 14.503 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.432 5.046 13.920 1.00 0.00 H new ATOM 0 HE ARG A 57 8.461 6.732 15.938 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.473 3.363 15.638 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.033 3.261 17.310 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.184 6.595 18.084 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.870 5.083 18.690 1.00 0.00 H new ATOM 859 N TRP A 58 7.781 7.167 10.369 1.00 0.00 N ATOM 860 CA TRP A 58 8.652 8.202 9.821 1.00 0.00 C ATOM 861 C TRP A 58 7.994 8.892 8.632 1.00 0.00 C ATOM 862 O TRP A 58 8.005 10.119 8.529 1.00 0.00 O ATOM 863 CB TRP A 58 9.992 7.599 9.400 1.00 0.00 C ATOM 864 CG TRP A 58 10.703 6.893 10.514 1.00 0.00 C ATOM 865 CD1 TRP A 58 10.668 5.556 10.793 1.00 0.00 C ATOM 866 CD2 TRP A 58 11.554 7.488 11.501 1.00 0.00 C ATOM 867 NE1 TRP A 58 11.445 5.284 11.893 1.00 0.00 N ATOM 868 CE2 TRP A 58 12.000 6.452 12.345 1.00 0.00 C ATOM 869 CE3 TRP A 58 11.983 8.793 11.752 1.00 0.00 C ATOM 870 CZ2 TRP A 58 12.852 6.685 13.421 1.00 0.00 C ATOM 871 CZ3 TRP A 58 12.829 9.023 12.820 1.00 0.00 C ATOM 872 CH2 TRP A 58 13.257 7.973 13.644 1.00 0.00 C ATOM 0 H TRP A 58 8.025 6.218 10.086 1.00 0.00 H new ATOM 0 HA TRP A 58 8.826 8.946 10.598 1.00 0.00 H new ATOM 0 HB2 TRP A 58 9.825 6.897 8.583 1.00 0.00 H new ATOM 0 HB3 TRP A 58 10.633 8.391 9.014 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.111 4.821 10.231 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.586 4.362 12.306 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.659 9.608 11.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.182 5.877 14.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.166 10.029 13.023 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.919 8.184 14.471 1.00 0.00 H new ATOM 883 N LYS A 59 7.422 8.098 7.734 1.00 0.00 N ATOM 884 CA LYS A 59 6.758 8.632 6.551 1.00 0.00 C ATOM 885 C LYS A 59 7.702 9.525 5.753 1.00 0.00 C ATOM 886 O LYS A 59 7.303 10.576 5.253 1.00 0.00 O ATOM 887 CB LYS A 59 5.511 9.423 6.955 1.00 0.00 C ATOM 888 CG LYS A 59 4.486 8.597 7.714 1.00 0.00 C ATOM 889 CD LYS A 59 3.119 9.259 7.703 1.00 0.00 C ATOM 890 CE LYS A 59 2.011 8.253 7.973 1.00 0.00 C ATOM 891 NZ LYS A 59 0.660 8.848 7.774 1.00 0.00 N ATOM 0 H LYS A 59 7.405 7.080 7.803 1.00 0.00 H new ATOM 0 HA LYS A 59 6.462 7.793 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.812 10.270 7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.044 9.832 6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.415 7.605 7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.817 8.461 8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.089 10.046 8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.952 9.735 6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.131 7.395 7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.098 7.883 8.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.065 8.184 8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.590 9.738 8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.510 9.039 6.763 1.00 0.00 H new ATOM 905 N GLU A 60 8.956 9.099 5.638 1.00 0.00 N ATOM 906 CA GLU A 60 9.957 9.860 4.900 1.00 0.00 C ATOM 907 C GLU A 60 9.392 10.357 3.572 1.00 0.00 C ATOM 908 O GLU A 60 8.301 9.962 3.163 1.00 0.00 O ATOM 909 CB GLU A 60 11.200 9.004 4.649 1.00 0.00 C ATOM 910 CG GLU A 60 12.244 9.111 5.748 1.00 0.00 C ATOM 911 CD GLU A 60 12.046 8.081 6.843 1.00 0.00 C ATOM 912 OE1 GLU A 60 11.376 7.060 6.582 1.00 0.00 O ATOM 913 OE2 GLU A 60 12.559 8.296 7.961 1.00 0.00 O ATOM 0 H GLU A 60 9.303 8.231 6.046 1.00 0.00 H new ATOM 0 HA GLU A 60 10.236 10.724 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.898 7.962 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.650 9.301 3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.236 8.989 5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.207 10.110 6.183 1.00 0.00 H new ATOM 920 N ASN A 61 10.143 11.226 2.904 1.00 0.00 N ATOM 921 CA ASN A 61 9.718 11.778 1.623 1.00 0.00 C ATOM 922 C ASN A 61 10.129 10.864 0.473 1.00 0.00 C ATOM 923 O ASN A 61 11.312 10.667 0.195 1.00 0.00 O ATOM 924 CB ASN A 61 10.317 13.172 1.420 1.00 0.00 C ATOM 925 CG ASN A 61 10.348 13.580 -0.040 1.00 0.00 C ATOM 926 OD1 ASN A 61 11.248 13.192 -0.786 1.00 0.00 O ATOM 927 ND2 ASN A 61 9.364 14.369 -0.455 1.00 0.00 N ATOM 0 H ASN A 61 11.049 11.563 3.229 1.00 0.00 H new ATOM 0 HA ASN A 61 8.631 11.855 1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.736 13.900 1.986 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.330 13.191 1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.333 14.678 -1.427 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.639 14.666 0.198 1.00 0.00 H new ATOM 934 N PRO A 62 9.129 10.291 -0.214 1.00 0.00 N ATOM 935 CA PRO A 62 9.361 9.388 -1.345 1.00 0.00 C ATOM 936 C PRO A 62 9.912 10.119 -2.566 1.00 0.00 C ATOM 937 O PRO A 62 9.525 11.252 -2.849 1.00 0.00 O ATOM 938 CB PRO A 62 7.969 8.826 -1.642 1.00 0.00 C ATOM 939 CG PRO A 62 7.026 9.861 -1.135 1.00 0.00 C ATOM 940 CD PRO A 62 7.695 10.480 0.062 1.00 0.00 C ATOM 0 HA PRO A 62 10.103 8.624 -1.111 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.831 8.654 -2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.813 7.870 -1.142 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.822 10.611 -1.899 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.069 9.417 -0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.441 11.535 0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.396 9.989 0.988 1.00 0.00 H new ATOM 948 N SER A 63 10.816 9.462 -3.285 1.00 0.00 N ATOM 949 CA SER A 63 11.422 10.051 -4.473 1.00 0.00 C ATOM 950 C SER A 63 12.110 8.982 -5.318 1.00 0.00 C ATOM 951 O SER A 63 12.463 7.906 -4.837 1.00 0.00 O ATOM 952 CB SER A 63 12.431 11.130 -4.076 1.00 0.00 C ATOM 953 OG SER A 63 11.809 12.399 -3.981 1.00 0.00 O ATOM 0 H SER A 63 11.145 8.522 -3.066 1.00 0.00 H new ATOM 0 HA SER A 63 10.630 10.506 -5.067 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.887 10.872 -3.120 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.234 11.169 -4.812 1.00 0.00 H new ATOM 0 HG SER A 63 10.924 12.300 -3.573 1.00 0.00 H new ATOM 959 N PRO A 64 12.304 9.286 -6.610 1.00 0.00 N ATOM 960 CA PRO A 64 12.950 8.366 -7.551 1.00 0.00 C ATOM 961 C PRO A 64 14.439 8.197 -7.266 1.00 0.00 C ATOM 962 O PRO A 64 15.133 7.460 -7.965 1.00 0.00 O ATOM 963 CB PRO A 64 12.739 9.041 -8.909 1.00 0.00 C ATOM 964 CG PRO A 64 12.587 10.489 -8.592 1.00 0.00 C ATOM 965 CD PRO A 64 11.908 10.551 -7.252 1.00 0.00 C ATOM 0 HA PRO A 64 12.533 7.361 -7.490 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.586 8.868 -9.573 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.854 8.651 -9.412 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.557 10.986 -8.561 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.994 10.995 -9.354 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.237 11.415 -6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.825 10.629 -7.353 1.00 0.00 H new ATOM 973 N GLU A 65 14.921 8.883 -6.235 1.00 0.00 N ATOM 974 CA GLU A 65 16.328 8.807 -5.858 1.00 0.00 C ATOM 975 C GLU A 65 16.568 7.663 -4.877 1.00 0.00 C ATOM 976 O GLU A 65 17.584 6.974 -4.948 1.00 0.00 O ATOM 977 CB GLU A 65 16.785 10.129 -5.238 1.00 0.00 C ATOM 978 CG GLU A 65 17.097 11.206 -6.264 1.00 0.00 C ATOM 979 CD GLU A 65 18.046 12.262 -5.730 1.00 0.00 C ATOM 980 OE1 GLU A 65 19.253 11.966 -5.608 1.00 0.00 O ATOM 981 OE2 GLU A 65 17.582 13.383 -5.435 1.00 0.00 O ATOM 0 H GLU A 65 14.359 9.497 -5.646 1.00 0.00 H new ATOM 0 HA GLU A 65 16.909 8.617 -6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.008 10.493 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.672 9.949 -4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.534 10.744 -7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.169 11.683 -6.579 1.00 0.00 H new ATOM 988 N ASN A 66 15.624 7.468 -3.962 1.00 0.00 N ATOM 989 CA ASN A 66 15.732 6.409 -2.966 1.00 0.00 C ATOM 990 C ASN A 66 15.287 5.070 -3.544 1.00 0.00 C ATOM 991 O ASN A 66 14.103 4.860 -3.809 1.00 0.00 O ATOM 992 CB ASN A 66 14.891 6.750 -1.734 1.00 0.00 C ATOM 993 CG ASN A 66 15.318 5.968 -0.507 1.00 0.00 C ATOM 994 OD1 ASN A 66 16.022 4.964 -0.612 1.00 0.00 O ATOM 995 ND2 ASN A 66 14.892 6.427 0.664 1.00 0.00 N ATOM 0 H ASN A 66 14.776 8.030 -3.890 1.00 0.00 H new ATOM 0 HA ASN A 66 16.778 6.328 -2.672 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.971 7.817 -1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.842 6.544 -1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.147 5.943 1.525 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.310 7.264 0.703 1.00 0.00 H new ATOM 1002 N ARG A 67 16.243 4.167 -3.738 1.00 0.00 N ATOM 1003 CA ARG A 67 15.949 2.848 -4.285 1.00 0.00 C ATOM 1004 C ARG A 67 15.188 1.996 -3.274 1.00 0.00 C ATOM 1005 O ARG A 67 14.009 1.695 -3.461 1.00 0.00 O ATOM 1006 CB ARG A 67 17.244 2.142 -4.692 1.00 0.00 C ATOM 1007 CG ARG A 67 17.777 2.580 -6.046 1.00 0.00 C ATOM 1008 CD ARG A 67 17.233 1.710 -7.168 1.00 0.00 C ATOM 1009 NE ARG A 67 18.085 0.552 -7.426 1.00 0.00 N ATOM 1010 CZ ARG A 67 18.121 -0.089 -8.588 1.00 0.00 C ATOM 1011 NH1 ARG A 67 17.357 0.312 -9.594 1.00 0.00 N ATOM 1012 NH2 ARG A 67 18.923 -1.135 -8.746 1.00 0.00 N ATOM 0 H ARG A 67 17.228 4.325 -3.524 1.00 0.00 H new ATOM 0 HA ARG A 67 15.322 2.980 -5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 67 18.004 2.330 -3.934 1.00 0.00 H new ATOM 0 HB3 ARG A 67 17.071 1.066 -4.710 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.505 3.620 -6.226 1.00 0.00 H new ATOM 0 HG3 ARG A 67 18.866 2.532 -6.042 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.230 1.371 -6.910 1.00 0.00 H new ATOM 0 HD3 ARG A 67 17.145 2.305 -8.077 1.00 0.00 H new ATOM 0 HE ARG A 67 18.685 0.218 -6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.739 1.115 -9.477 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.387 -0.182 -10.486 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.512 -1.447 -7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.950 -1.627 -9.639 1.00 0.00 H new ATOM 1026 N THR A 68 15.871 1.610 -2.200 1.00 0.00 N ATOM 1027 CA THR A 68 15.262 0.792 -1.160 1.00 0.00 C ATOM 1028 C THR A 68 13.857 1.282 -0.828 1.00 0.00 C ATOM 1029 O THR A 68 12.981 0.493 -0.469 1.00 0.00 O ATOM 1030 CB THR A 68 16.111 0.792 0.125 1.00 0.00 C ATOM 1031 OG1 THR A 68 17.449 0.377 -0.172 1.00 0.00 O ATOM 1032 CG2 THR A 68 15.508 -0.133 1.172 1.00 0.00 C ATOM 0 H THR A 68 16.847 1.852 -2.029 1.00 0.00 H new ATOM 0 HA THR A 68 15.207 -0.225 -1.549 1.00 0.00 H new ATOM 0 HB THR A 68 16.126 1.806 0.525 1.00 0.00 H new ATOM 0 HG1 THR A 68 17.983 0.381 0.650 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.125 -0.117 2.071 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.500 0.203 1.417 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.466 -1.149 0.779 1.00 0.00 H new ATOM 1040 N LEU A 69 13.647 2.588 -0.949 1.00 0.00 N ATOM 1041 CA LEU A 69 12.347 3.184 -0.662 1.00 0.00 C ATOM 1042 C LEU A 69 11.461 3.181 -1.903 1.00 0.00 C ATOM 1043 O LEU A 69 10.454 2.474 -1.957 1.00 0.00 O ATOM 1044 CB LEU A 69 12.522 4.615 -0.149 1.00 0.00 C ATOM 1045 CG LEU A 69 11.475 5.101 0.853 1.00 0.00 C ATOM 1046 CD1 LEU A 69 11.398 4.158 2.044 1.00 0.00 C ATOM 1047 CD2 LEU A 69 11.794 6.517 1.312 1.00 0.00 C ATOM 0 H LEU A 69 14.360 3.255 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 69 11.862 2.585 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.505 4.696 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.517 5.290 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 69 10.503 5.110 0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.648 4.520 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.123 3.161 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.368 4.117 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.039 6.847 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.774 6.533 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.798 7.186 0.452 1.00 0.00 H new ATOM 1059 N TRP A 70 11.843 3.973 -2.898 1.00 0.00 N ATOM 1060 CA TRP A 70 11.083 4.060 -4.140 1.00 0.00 C ATOM 1061 C TRP A 70 10.646 2.677 -4.609 1.00 0.00 C ATOM 1062 O TRP A 70 9.478 2.461 -4.930 1.00 0.00 O ATOM 1063 CB TRP A 70 11.918 4.740 -5.226 1.00 0.00 C ATOM 1064 CG TRP A 70 11.129 5.088 -6.452 1.00 0.00 C ATOM 1065 CD1 TRP A 70 11.086 4.388 -7.624 1.00 0.00 C ATOM 1066 CD2 TRP A 70 10.273 6.221 -6.627 1.00 0.00 C ATOM 1067 NE1 TRP A 70 10.253 5.018 -8.518 1.00 0.00 N ATOM 1068 CE2 TRP A 70 9.741 6.145 -7.930 1.00 0.00 C ATOM 1069 CE3 TRP A 70 9.901 7.292 -5.810 1.00 0.00 C ATOM 1070 CZ2 TRP A 70 8.861 7.099 -8.431 1.00 0.00 C ATOM 1071 CZ3 TRP A 70 9.026 8.239 -6.310 1.00 0.00 C ATOM 1072 CH2 TRP A 70 8.514 8.137 -7.610 1.00 0.00 C ATOM 0 H TRP A 70 12.674 4.564 -2.869 1.00 0.00 H new ATOM 0 HA TRP A 70 10.191 4.657 -3.950 1.00 0.00 H new ATOM 0 HB2 TRP A 70 12.361 5.648 -4.818 1.00 0.00 H new ATOM 0 HB3 TRP A 70 12.741 4.082 -5.507 1.00 0.00 H new ATOM 0 HD1 TRP A 70 11.627 3.474 -7.820 1.00 0.00 H new ATOM 0 HE1 TRP A 70 10.049 4.699 -9.465 1.00 0.00 H new ATOM 0 HE3 TRP A 70 10.290 7.379 -4.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 8.466 7.023 -9.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 8.732 9.071 -5.688 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.832 8.893 -7.971 1.00 0.00 H new ATOM 1083 N GLU A 71 11.592 1.743 -4.646 1.00 0.00 N ATOM 1084 CA GLU A 71 11.303 0.381 -5.077 1.00 0.00 C ATOM 1085 C GLU A 71 10.090 -0.178 -4.338 1.00 0.00 C ATOM 1086 O GLU A 71 9.035 -0.396 -4.932 1.00 0.00 O ATOM 1087 CB GLU A 71 12.517 -0.521 -4.842 1.00 0.00 C ATOM 1088 CG GLU A 71 13.687 -0.218 -5.762 1.00 0.00 C ATOM 1089 CD GLU A 71 14.524 -1.446 -6.065 1.00 0.00 C ATOM 1090 OE1 GLU A 71 13.937 -2.530 -6.265 1.00 0.00 O ATOM 1091 OE2 GLU A 71 15.766 -1.322 -6.102 1.00 0.00 O ATOM 0 H GLU A 71 12.564 1.905 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 71 11.078 0.405 -6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.843 -0.415 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.219 -1.560 -4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.311 0.200 -6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.318 0.543 -5.303 1.00 0.00 H new ATOM 1098 N ASN A 72 10.250 -0.407 -3.039 1.00 0.00 N ATOM 1099 CA ASN A 72 9.169 -0.941 -2.218 1.00 0.00 C ATOM 1100 C ASN A 72 7.896 -0.120 -2.394 1.00 0.00 C ATOM 1101 O ASN A 72 6.831 -0.661 -2.696 1.00 0.00 O ATOM 1102 CB ASN A 72 9.580 -0.957 -0.744 1.00 0.00 C ATOM 1103 CG ASN A 72 10.780 -1.849 -0.488 1.00 0.00 C ATOM 1104 OD1 ASN A 72 11.677 -1.398 0.381 1.00 0.00 O flip ATOM 1105 ND2 ASN A 72 10.898 -2.930 -1.065 1.00 0.00 N flip ATOM 0 H ASN A 72 11.117 -0.231 -2.532 1.00 0.00 H new ATOM 0 HA ASN A 72 8.969 -1.962 -2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.811 0.059 -0.423 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.740 -1.300 -0.139 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.183 -3.236 -1.725 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.710 -3.519 -0.883 1.00 0.00 H new ATOM 1112 N LEU A 73 8.012 1.190 -2.203 1.00 0.00 N ATOM 1113 CA LEU A 73 6.871 2.088 -2.341 1.00 0.00 C ATOM 1114 C LEU A 73 6.232 1.948 -3.719 1.00 0.00 C ATOM 1115 O LEU A 73 5.079 2.331 -3.921 1.00 0.00 O ATOM 1116 CB LEU A 73 7.306 3.536 -2.113 1.00 0.00 C ATOM 1117 CG LEU A 73 7.488 3.960 -0.655 1.00 0.00 C ATOM 1118 CD1 LEU A 73 7.675 5.466 -0.556 1.00 0.00 C ATOM 1119 CD2 LEU A 73 6.300 3.513 0.183 1.00 0.00 C ATOM 0 H LEU A 73 8.885 1.654 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 73 6.132 1.815 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.247 3.699 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.567 4.193 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 73 8.384 3.477 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.803 5.749 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.558 5.761 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.798 5.969 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.447 3.823 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.389 3.967 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.212 2.427 0.139 1.00 0.00 H new ATOM 1131 N CYS A 74 6.987 1.396 -4.663 1.00 0.00 N ATOM 1132 CA CYS A 74 6.494 1.204 -6.022 1.00 0.00 C ATOM 1133 C CYS A 74 5.491 0.057 -6.079 1.00 0.00 C ATOM 1134 O CYS A 74 4.378 0.214 -6.582 1.00 0.00 O ATOM 1135 CB CYS A 74 7.657 0.929 -6.975 1.00 0.00 C ATOM 1136 SG CYS A 74 7.275 1.237 -8.715 1.00 0.00 S ATOM 0 H CYS A 74 7.943 1.074 -4.512 1.00 0.00 H new ATOM 0 HA CYS A 74 5.990 2.119 -6.332 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.505 1.550 -6.685 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.968 -0.109 -6.861 1.00 0.00 H new ATOM 0 HG CYS A 74 8.322 0.978 -9.441 1.00 0.00 H new ATOM 1142 N THR A 75 5.893 -1.101 -5.563 1.00 0.00 N ATOM 1143 CA THR A 75 5.032 -2.276 -5.558 1.00 0.00 C ATOM 1144 C THR A 75 3.774 -2.032 -4.733 1.00 0.00 C ATOM 1145 O THR A 75 2.671 -2.398 -5.143 1.00 0.00 O ATOM 1146 CB THR A 75 5.768 -3.509 -4.999 1.00 0.00 C ATOM 1147 OG1 THR A 75 5.238 -4.703 -5.586 1.00 0.00 O ATOM 1148 CG2 THR A 75 5.634 -3.579 -3.486 1.00 0.00 C ATOM 0 H THR A 75 6.811 -1.249 -5.143 1.00 0.00 H new ATOM 0 HA THR A 75 4.752 -2.468 -6.594 1.00 0.00 H new ATOM 0 HB THR A 75 6.825 -3.419 -5.250 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.712 -5.482 -5.227 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.161 -4.457 -3.114 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.064 -2.682 -3.041 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.580 -3.648 -3.217 1.00 0.00 H new ATOM 1156 N ILE A 76 3.945 -1.413 -3.570 1.00 0.00 N ATOM 1157 CA ILE A 76 2.822 -1.119 -2.689 1.00 0.00 C ATOM 1158 C ILE A 76 1.842 -0.156 -3.350 1.00 0.00 C ATOM 1159 O ILE A 76 0.638 -0.208 -3.098 1.00 0.00 O ATOM 1160 CB ILE A 76 3.297 -0.515 -1.354 1.00 0.00 C ATOM 1161 CG1 ILE A 76 4.373 -1.400 -0.723 1.00 0.00 C ATOM 1162 CG2 ILE A 76 2.121 -0.341 -0.404 1.00 0.00 C ATOM 1163 CD1 ILE A 76 4.802 -0.941 0.653 1.00 0.00 C ATOM 0 H ILE A 76 4.851 -1.105 -3.216 1.00 0.00 H new ATOM 0 HA ILE A 76 2.319 -2.066 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 76 3.730 0.466 -1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.999 -2.422 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.244 -1.422 -1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.472 0.087 0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.385 0.326 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.662 -1.311 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.567 -1.615 1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.207 0.069 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.942 -0.946 1.323 1.00 0.00 H new ATOM 1175 N ARG A 77 2.366 0.723 -4.199 1.00 0.00 N ATOM 1176 CA ARG A 77 1.537 1.698 -4.898 1.00 0.00 C ATOM 1177 C ARG A 77 0.600 1.007 -5.884 1.00 0.00 C ATOM 1178 O ARG A 77 -0.579 1.349 -5.978 1.00 0.00 O ATOM 1179 CB ARG A 77 2.415 2.710 -5.635 1.00 0.00 C ATOM 1180 CG ARG A 77 1.637 3.634 -6.557 1.00 0.00 C ATOM 1181 CD ARG A 77 0.986 4.772 -5.786 1.00 0.00 C ATOM 1182 NE ARG A 77 0.092 5.562 -6.627 1.00 0.00 N ATOM 1183 CZ ARG A 77 -0.260 6.814 -6.353 1.00 0.00 C ATOM 1184 NH1 ARG A 77 0.205 7.413 -5.266 1.00 0.00 N ATOM 1185 NH2 ARG A 77 -1.079 7.467 -7.167 1.00 0.00 N ATOM 0 H ARG A 77 3.360 0.780 -4.419 1.00 0.00 H new ATOM 0 HA ARG A 77 0.934 2.223 -4.157 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.955 3.311 -4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.162 2.173 -6.219 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.306 4.042 -7.314 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.871 3.064 -7.083 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.426 4.365 -4.944 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.760 5.419 -5.372 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.283 5.130 -7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.834 6.913 -4.638 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.066 8.374 -5.058 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.439 7.008 -8.004 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.349 8.428 -6.956 1.00 0.00 H new ATOM 1199 N ARG A 78 1.132 0.035 -6.618 1.00 0.00 N ATOM 1200 CA ARG A 78 0.344 -0.702 -7.598 1.00 0.00 C ATOM 1201 C ARG A 78 -0.758 -1.506 -6.916 1.00 0.00 C ATOM 1202 O ARG A 78 -1.844 -1.683 -7.467 1.00 0.00 O ATOM 1203 CB ARG A 78 1.244 -1.635 -8.410 1.00 0.00 C ATOM 1204 CG ARG A 78 1.935 -0.952 -9.579 1.00 0.00 C ATOM 1205 CD ARG A 78 3.257 -1.623 -9.915 1.00 0.00 C ATOM 1206 NE ARG A 78 3.724 -1.273 -11.254 1.00 0.00 N ATOM 1207 CZ ARG A 78 4.580 -2.013 -11.950 1.00 0.00 C ATOM 1208 NH1 ARG A 78 5.059 -3.137 -11.437 1.00 0.00 N ATOM 1209 NH2 ARG A 78 4.957 -1.628 -13.163 1.00 0.00 N ATOM 0 H ARG A 78 2.106 -0.260 -6.552 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.120 0.019 -8.270 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.000 -2.061 -7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.646 -2.465 -8.787 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.283 -0.974 -10.452 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.109 0.097 -9.338 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.008 -1.331 -9.181 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.143 -2.705 -9.842 1.00 0.00 H new ATOM 0 HE ARG A 78 3.374 -0.414 -11.678 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.771 -3.436 -10.505 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.716 -3.703 -11.974 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.589 -0.764 -13.561 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.614 -2.196 -13.697 1.00 0.00 H new ATOM 1223 N PHE A 79 -0.470 -1.993 -5.713 1.00 0.00 N ATOM 1224 CA PHE A 79 -1.436 -2.780 -4.956 1.00 0.00 C ATOM 1225 C PHE A 79 -2.687 -1.961 -4.652 1.00 0.00 C ATOM 1226 O PHE A 79 -3.805 -2.379 -4.955 1.00 0.00 O ATOM 1227 CB PHE A 79 -0.809 -3.278 -3.651 1.00 0.00 C ATOM 1228 CG PHE A 79 -1.593 -4.375 -2.990 1.00 0.00 C ATOM 1229 CD1 PHE A 79 -2.895 -4.158 -2.569 1.00 0.00 C ATOM 1230 CD2 PHE A 79 -1.028 -5.624 -2.790 1.00 0.00 C ATOM 1231 CE1 PHE A 79 -3.618 -5.166 -1.960 1.00 0.00 C ATOM 1232 CE2 PHE A 79 -1.746 -6.636 -2.181 1.00 0.00 C ATOM 1233 CZ PHE A 79 -3.043 -6.407 -1.767 1.00 0.00 C ATOM 0 H PHE A 79 0.424 -1.856 -5.242 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.724 -3.638 -5.564 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.200 -3.636 -3.855 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.716 -2.441 -2.959 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.350 -3.190 -2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.014 -5.809 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.632 -4.984 -1.635 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.293 -7.605 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.607 -7.197 -1.293 1.00 0.00 H new ATOM 1243 N LEU A 80 -2.490 -0.793 -4.051 1.00 0.00 N ATOM 1244 CA LEU A 80 -3.602 0.086 -3.705 1.00 0.00 C ATOM 1245 C LEU A 80 -4.423 0.438 -4.942 1.00 0.00 C ATOM 1246 O LEU A 80 -5.633 0.641 -4.858 1.00 0.00 O ATOM 1247 CB LEU A 80 -3.081 1.363 -3.044 1.00 0.00 C ATOM 1248 CG LEU A 80 -2.074 1.170 -1.910 1.00 0.00 C ATOM 1249 CD1 LEU A 80 -1.452 2.500 -1.516 1.00 0.00 C ATOM 1250 CD2 LEU A 80 -2.742 0.514 -0.710 1.00 0.00 C ATOM 0 H LEU A 80 -1.571 -0.433 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.246 -0.443 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.618 1.983 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.933 1.920 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.280 0.512 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.738 2.342 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.938 2.930 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.234 3.182 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.011 0.384 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.556 1.146 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.138 -0.459 -1.001 1.00 0.00 H new ATOM 1262 N ASN A 81 -3.755 0.506 -6.089 1.00 0.00 N ATOM 1263 CA ASN A 81 -4.424 0.832 -7.344 1.00 0.00 C ATOM 1264 C ASN A 81 -5.487 -0.210 -7.680 1.00 0.00 C ATOM 1265 O ASN A 81 -6.333 0.008 -8.549 1.00 0.00 O ATOM 1266 CB ASN A 81 -3.404 0.922 -8.481 1.00 0.00 C ATOM 1267 CG ASN A 81 -2.815 2.312 -8.620 1.00 0.00 C ATOM 1268 OD1 ASN A 81 -1.537 2.449 -8.286 1.00 0.00 O flip ATOM 1269 ND2 ASN A 81 -3.500 3.251 -9.024 1.00 0.00 N flip ATOM 0 H ASN A 81 -2.752 0.340 -6.176 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.913 1.799 -7.226 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.601 0.206 -8.303 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.883 0.638 -9.418 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.478 3.100 -9.269 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.089 4.180 -9.113 1.00 0.00 H new ATOM 1276 N LEU A 82 -5.437 -1.342 -6.987 1.00 0.00 N ATOM 1277 CA LEU A 82 -6.396 -2.419 -7.212 1.00 0.00 C ATOM 1278 C LEU A 82 -7.751 -2.077 -6.600 1.00 0.00 C ATOM 1279 O LEU A 82 -7.851 -1.320 -5.634 1.00 0.00 O ATOM 1280 CB LEU A 82 -5.871 -3.727 -6.619 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.573 -4.265 -7.222 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -4.061 -5.450 -6.418 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -4.784 -4.656 -8.677 1.00 0.00 C ATOM 0 H LEU A 82 -4.744 -1.538 -6.265 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.524 -2.541 -8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.718 -3.582 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.643 -4.489 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.822 -3.476 -7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.137 -5.819 -6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.871 -5.138 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.808 -6.243 -6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.850 -5.037 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.550 -5.429 -8.739 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.103 -3.783 -9.246 1.00 0.00 H new ATOM 1295 N PRO A 83 -8.820 -2.649 -7.173 1.00 0.00 N ATOM 1296 CA PRO A 83 -10.189 -2.422 -6.699 1.00 0.00 C ATOM 1297 C PRO A 83 -10.447 -3.069 -5.342 1.00 0.00 C ATOM 1298 O PRO A 83 -9.862 -4.102 -5.017 1.00 0.00 O ATOM 1299 CB PRO A 83 -11.052 -3.080 -7.778 1.00 0.00 C ATOM 1300 CG PRO A 83 -10.172 -4.117 -8.387 1.00 0.00 C ATOM 1301 CD PRO A 83 -8.776 -3.562 -8.328 1.00 0.00 C ATOM 0 HA PRO A 83 -10.400 -1.362 -6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.950 -3.525 -7.350 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.380 -2.353 -8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.241 -5.058 -7.841 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.467 -4.324 -9.416 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.036 -4.350 -8.189 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.514 -3.036 -9.246 1.00 0.00 H new ATOM 1309 N GLN A 84 -11.326 -2.455 -4.557 1.00 0.00 N ATOM 1310 CA GLN A 84 -11.661 -2.973 -3.235 1.00 0.00 C ATOM 1311 C GLN A 84 -11.926 -4.474 -3.290 1.00 0.00 C ATOM 1312 O GLN A 84 -11.458 -5.229 -2.437 1.00 0.00 O ATOM 1313 CB GLN A 84 -12.885 -2.247 -2.675 1.00 0.00 C ATOM 1314 CG GLN A 84 -12.895 -2.154 -1.158 1.00 0.00 C ATOM 1315 CD GLN A 84 -13.789 -1.041 -0.647 1.00 0.00 C ATOM 1316 OE1 GLN A 84 -14.450 -0.353 -1.426 1.00 0.00 O ATOM 1317 NE2 GLN A 84 -13.815 -0.857 0.668 1.00 0.00 N ATOM 0 H GLN A 84 -11.819 -1.599 -4.813 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.810 -2.797 -2.577 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.923 -1.241 -3.093 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.786 -2.764 -3.005 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.230 -3.104 -0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.878 -1.991 -0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -13.251 -1.450 1.277 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -14.399 -0.123 1.069 1.00 0.00 H new ATOM 1326 N HIS A 85 -12.681 -4.900 -4.297 1.00 0.00 N ATOM 1327 CA HIS A 85 -13.009 -6.312 -4.463 1.00 0.00 C ATOM 1328 C HIS A 85 -11.743 -7.147 -4.631 1.00 0.00 C ATOM 1329 O HIS A 85 -11.715 -8.326 -4.277 1.00 0.00 O ATOM 1330 CB HIS A 85 -13.926 -6.506 -5.671 1.00 0.00 C ATOM 1331 CG HIS A 85 -13.187 -6.747 -6.951 1.00 0.00 C ATOM 1332 ND1 HIS A 85 -12.949 -5.756 -7.880 1.00 0.00 N ATOM 1333 CD2 HIS A 85 -12.631 -7.874 -7.454 1.00 0.00 C ATOM 1334 CE1 HIS A 85 -12.280 -6.264 -8.900 1.00 0.00 C ATOM 1335 NE2 HIS A 85 -12.074 -7.547 -8.666 1.00 0.00 N ATOM 0 H HIS A 85 -13.077 -4.288 -5.010 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.528 -6.647 -3.565 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.591 -7.349 -5.481 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.555 -5.623 -5.785 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.626 -8.849 -6.989 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -11.957 -5.722 -9.776 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -11.581 -8.191 -9.285 1.00 0.00 H new ATOM 1344 N GLU A 86 -10.699 -6.529 -5.173 1.00 0.00 N ATOM 1345 CA GLU A 86 -9.432 -7.217 -5.389 1.00 0.00 C ATOM 1346 C GLU A 86 -8.630 -7.299 -4.093 1.00 0.00 C ATOM 1347 O GLU A 86 -8.425 -8.382 -3.545 1.00 0.00 O ATOM 1348 CB GLU A 86 -8.613 -6.500 -6.464 1.00 0.00 C ATOM 1349 CG GLU A 86 -8.869 -7.017 -7.870 1.00 0.00 C ATOM 1350 CD GLU A 86 -8.011 -8.219 -8.214 1.00 0.00 C ATOM 1351 OE1 GLU A 86 -6.771 -8.078 -8.234 1.00 0.00 O ATOM 1352 OE2 GLU A 86 -8.581 -9.302 -8.463 1.00 0.00 O ATOM 0 H GLU A 86 -10.705 -5.553 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.651 -8.230 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.840 -5.434 -6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.553 -6.608 -6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.921 -7.286 -7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.675 -6.220 -8.587 1.00 0.00 H new ATOM 1359 N ARG A 87 -8.178 -6.147 -3.611 1.00 0.00 N ATOM 1360 CA ARG A 87 -7.397 -6.087 -2.381 1.00 0.00 C ATOM 1361 C ARG A 87 -7.976 -7.023 -1.323 1.00 0.00 C ATOM 1362 O ARG A 87 -7.245 -7.778 -0.682 1.00 0.00 O ATOM 1363 CB ARG A 87 -7.358 -4.655 -1.845 1.00 0.00 C ATOM 1364 CG ARG A 87 -7.218 -3.601 -2.931 1.00 0.00 C ATOM 1365 CD ARG A 87 -6.682 -2.293 -2.372 1.00 0.00 C ATOM 1366 NE ARG A 87 -7.151 -1.139 -3.134 1.00 0.00 N ATOM 1367 CZ ARG A 87 -8.320 -0.545 -2.924 1.00 0.00 C ATOM 1368 NH1 ARG A 87 -9.135 -0.994 -1.980 1.00 0.00 N ATOM 1369 NH2 ARG A 87 -8.677 0.500 -3.660 1.00 0.00 N ATOM 0 H ARG A 87 -8.339 -5.242 -4.053 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.381 -6.409 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.270 -4.463 -1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.525 -4.559 -1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.549 -3.966 -3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.187 -3.428 -3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.990 -2.190 -1.332 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.592 -2.315 -2.381 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.547 -0.769 -3.868 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.865 -1.798 -1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.032 -0.536 -1.821 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.053 0.848 -4.388 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.575 0.955 -3.498 1.00 0.00 H new ATOM 1383 N ASP A 88 -9.291 -6.966 -1.147 1.00 0.00 N ATOM 1384 CA ASP A 88 -9.968 -7.807 -0.168 1.00 0.00 C ATOM 1385 C ASP A 88 -9.664 -9.282 -0.415 1.00 0.00 C ATOM 1386 O ASP A 88 -9.439 -10.046 0.523 1.00 0.00 O ATOM 1387 CB ASP A 88 -11.479 -7.571 -0.218 1.00 0.00 C ATOM 1388 CG ASP A 88 -11.923 -6.468 0.723 1.00 0.00 C ATOM 1389 OD1 ASP A 88 -12.062 -6.740 1.934 1.00 0.00 O ATOM 1390 OD2 ASP A 88 -12.131 -5.332 0.248 1.00 0.00 O ATOM 0 H ASP A 88 -9.910 -6.346 -1.670 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.598 -7.538 0.822 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.771 -7.315 -1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.997 -8.495 0.039 1.00 0.00 H new ATOM 1395 N VAL A 89 -9.659 -9.675 -1.685 1.00 0.00 N ATOM 1396 CA VAL A 89 -9.382 -11.057 -2.057 1.00 0.00 C ATOM 1397 C VAL A 89 -7.971 -11.464 -1.648 1.00 0.00 C ATOM 1398 O VAL A 89 -7.770 -12.507 -1.026 1.00 0.00 O ATOM 1399 CB VAL A 89 -9.549 -11.275 -3.572 1.00 0.00 C ATOM 1400 CG1 VAL A 89 -9.258 -12.723 -3.939 1.00 0.00 C ATOM 1401 CG2 VAL A 89 -10.947 -10.874 -4.017 1.00 0.00 C ATOM 0 H VAL A 89 -9.844 -9.055 -2.474 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.104 -11.678 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.831 -10.642 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.381 -12.858 -5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.235 -12.971 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.949 -13.379 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.047 -11.035 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.684 -11.479 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.113 -9.821 -3.791 1.00 0.00 H new ATOM 1411 N ILE A 90 -6.996 -10.633 -2.002 1.00 0.00 N ATOM 1412 CA ILE A 90 -5.603 -10.906 -1.671 1.00 0.00 C ATOM 1413 C ILE A 90 -5.429 -11.140 -0.174 1.00 0.00 C ATOM 1414 O ILE A 90 -4.766 -12.090 0.244 1.00 0.00 O ATOM 1415 CB ILE A 90 -4.683 -9.750 -2.108 1.00 0.00 C ATOM 1416 CG1 ILE A 90 -4.730 -9.578 -3.627 1.00 0.00 C ATOM 1417 CG2 ILE A 90 -3.257 -10.002 -1.641 1.00 0.00 C ATOM 1418 CD1 ILE A 90 -4.236 -8.229 -4.099 1.00 0.00 C ATOM 0 H ILE A 90 -7.145 -9.766 -2.518 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.322 -11.809 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.038 -8.829 -1.646 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.128 -10.359 -4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.755 -9.720 -3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.619 -9.177 -1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.238 -10.079 -0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.890 -10.931 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.298 -8.179 -5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.853 -7.443 -3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.200 -8.092 -3.788 1.00 0.00 H new ATOM 1430 N TYR A 91 -6.031 -10.270 0.629 1.00 0.00 N ATOM 1431 CA TYR A 91 -5.944 -10.381 2.080 1.00 0.00 C ATOM 1432 C TYR A 91 -6.645 -11.643 2.573 1.00 0.00 C ATOM 1433 O TYR A 91 -6.141 -12.344 3.449 1.00 0.00 O ATOM 1434 CB TYR A 91 -6.559 -9.149 2.745 1.00 0.00 C ATOM 1435 CG TYR A 91 -5.927 -7.846 2.310 1.00 0.00 C ATOM 1436 CD1 TYR A 91 -4.572 -7.609 2.507 1.00 0.00 C ATOM 1437 CD2 TYR A 91 -6.684 -6.853 1.701 1.00 0.00 C ATOM 1438 CE1 TYR A 91 -3.990 -6.420 2.111 1.00 0.00 C ATOM 1439 CE2 TYR A 91 -6.111 -5.662 1.301 1.00 0.00 C ATOM 1440 CZ TYR A 91 -4.764 -5.450 1.509 1.00 0.00 C ATOM 1441 OH TYR A 91 -4.188 -4.265 1.112 1.00 0.00 O ATOM 0 H TYR A 91 -6.585 -9.480 0.299 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.890 -10.443 2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -7.625 -9.119 2.519 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.465 -9.245 3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.963 -8.367 2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.739 -7.015 1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.935 -6.251 2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.714 -4.901 0.828 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.929 -4.327 0.169 1.00 0.00 H new ATOM 1451 N GLU A 92 -7.812 -11.925 2.002 1.00 0.00 N ATOM 1452 CA GLU A 92 -8.584 -13.102 2.383 1.00 0.00 C ATOM 1453 C GLU A 92 -7.782 -14.379 2.146 1.00 0.00 C ATOM 1454 O GLU A 92 -7.533 -15.148 3.074 1.00 0.00 O ATOM 1455 CB GLU A 92 -9.895 -13.157 1.595 1.00 0.00 C ATOM 1456 CG GLU A 92 -10.973 -12.237 2.143 1.00 0.00 C ATOM 1457 CD GLU A 92 -12.370 -12.685 1.763 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -12.570 -13.901 1.562 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -13.265 -11.818 1.666 1.00 0.00 O ATOM 0 H GLU A 92 -8.243 -11.355 1.274 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.810 -13.027 3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.696 -12.892 0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.268 -14.181 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.892 -12.195 3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.806 -11.226 1.771 1.00 0.00 H new ATOM 1466 N GLU A 93 -7.381 -14.595 0.898 1.00 0.00 N ATOM 1467 CA GLU A 93 -6.608 -15.779 0.539 1.00 0.00 C ATOM 1468 C GLU A 93 -5.338 -15.875 1.379 1.00 0.00 C ATOM 1469 O GLU A 93 -4.958 -16.956 1.827 1.00 0.00 O ATOM 1470 CB GLU A 93 -6.248 -15.749 -0.948 1.00 0.00 C ATOM 1471 CG GLU A 93 -7.457 -15.665 -1.865 1.00 0.00 C ATOM 1472 CD GLU A 93 -8.010 -17.030 -2.228 1.00 0.00 C ATOM 1473 OE1 GLU A 93 -8.854 -17.548 -1.467 1.00 0.00 O ATOM 1474 OE2 GLU A 93 -7.600 -17.578 -3.272 1.00 0.00 O ATOM 0 H GLU A 93 -7.578 -13.967 0.119 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.222 -16.657 0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.598 -14.895 -1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.678 -16.645 -1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.237 -15.079 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.181 -15.135 -2.776 1.00 0.00 H new ATOM 1481 N GLU A 94 -4.685 -14.735 1.587 1.00 0.00 N ATOM 1482 CA GLU A 94 -3.457 -14.691 2.371 1.00 0.00 C ATOM 1483 C GLU A 94 -3.716 -15.121 3.812 1.00 0.00 C ATOM 1484 O GLU A 94 -3.298 -16.199 4.234 1.00 0.00 O ATOM 1485 CB GLU A 94 -2.861 -13.282 2.348 1.00 0.00 C ATOM 1486 CG GLU A 94 -1.649 -13.119 3.250 1.00 0.00 C ATOM 1487 CD GLU A 94 -0.476 -13.974 2.812 1.00 0.00 C ATOM 1488 OE1 GLU A 94 -0.296 -14.152 1.589 1.00 0.00 O ATOM 1489 OE2 GLU A 94 0.261 -14.466 3.692 1.00 0.00 O ATOM 0 H GLU A 94 -4.986 -13.831 1.223 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.746 -15.386 1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.578 -13.033 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.627 -12.568 2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.347 -12.072 3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.923 -13.381 4.272 1.00 0.00 H new