USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=14 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= -0.734 K(o=-0.063,f=0.48) USER MOD Set 1.2: A 63 SER OG : rot 34:sc= 0.672 USER MOD Set 2.1: A 37 GLN : amide:sc= -1.34 K(o=-1.3,f=-6.3!) USER MOD Set 2.2: A 53 CYS SG : rot 52:sc= 0.00551 USER MOD Single : A 17 ASN : amide:sc=-0.00287 X(o=-0.0029,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 165:sc= 1.23 USER MOD Single : A 27 GLN : amide:sc= -0.0621 X(o=-0.062,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 30 MET CE :methyl -106:sc= -2.44 (180deg=-5.2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -120:sc= -1.15 (180deg=-1.87) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0243 USER MOD Single : A 42 LYS NZ :NH3+ -124:sc= 1.31 (180deg=-0.441) USER MOD Single : A 46 ASN : amide:sc= -0.847 K(o=-0.85,f=-2.4!) USER MOD Single : A 47 LYS NZ :NH3+ 149:sc= 0.00931 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -3.08! C(o=-3.1!,f=-6.5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.92! K(o=-1.9!,f=-1.2) 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 : amide:sc= -0.668 K(o=-0.67,f=-0.036) USER MOD Single : A 84 GLN : amide:sc= -0.681 K(o=-0.68,f=0.036) USER MOD Single : A 85 HIS : no HD1:sc= -4.63! C(o=-4.6!,f=-5.4!) USER MOD Single : A 91 TYR OH : rot 92:sc= 0.849 USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 16 5.117 5.668 -12.692 1.00 0.00 N ATOM 181 CA ILE A 16 4.374 5.783 -11.444 1.00 0.00 C ATOM 182 C ILE A 16 4.921 6.916 -10.581 1.00 0.00 C ATOM 183 O ILE A 16 6.121 6.988 -10.322 1.00 0.00 O ATOM 184 CB ILE A 16 4.420 4.471 -10.638 1.00 0.00 C ATOM 185 CG1 ILE A 16 3.809 3.327 -11.450 1.00 0.00 C ATOM 186 CG2 ILE A 16 3.690 4.637 -9.314 1.00 0.00 C ATOM 187 CD1 ILE A 16 4.004 1.967 -10.818 1.00 0.00 C ATOM 0 HA ILE A 16 3.340 5.999 -11.711 1.00 0.00 H new ATOM 0 HB ILE A 16 5.461 4.227 -10.428 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.742 3.511 -11.576 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.251 3.323 -12.446 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.731 3.702 -8.756 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.165 5.427 -8.733 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.650 4.901 -9.503 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.546 1.204 -11.447 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.070 1.762 -10.717 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.537 1.953 -9.833 1.00 0.00 H new ATOM 199 N ASN A 17 4.030 7.797 -10.138 1.00 0.00 N ATOM 200 CA ASN A 17 4.423 8.926 -9.302 1.00 0.00 C ATOM 201 C ASN A 17 4.115 8.650 -7.834 1.00 0.00 C ATOM 202 O ASN A 17 2.965 8.738 -7.403 1.00 0.00 O ATOM 203 CB ASN A 17 3.703 10.198 -9.755 1.00 0.00 C ATOM 204 CG ASN A 17 4.425 11.458 -9.319 1.00 0.00 C ATOM 205 OD1 ASN A 17 3.955 12.183 -8.441 1.00 0.00 O ATOM 206 ND2 ASN A 17 5.573 11.724 -9.931 1.00 0.00 N ATOM 0 H ASN A 17 3.032 7.751 -10.344 1.00 0.00 H new ATOM 0 HA ASN A 17 5.499 9.067 -9.409 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.611 10.193 -10.841 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.691 10.204 -9.349 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.104 12.558 -9.679 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.924 11.095 -10.653 1.00 0.00 H new ATOM 213 N ILE A 18 5.151 8.316 -7.071 1.00 0.00 N ATOM 214 CA ILE A 18 4.991 8.028 -5.651 1.00 0.00 C ATOM 215 C ILE A 18 4.954 9.313 -4.830 1.00 0.00 C ATOM 216 O ILE A 18 5.809 10.187 -4.985 1.00 0.00 O ATOM 217 CB ILE A 18 6.127 7.130 -5.127 1.00 0.00 C ATOM 218 CG1 ILE A 18 6.319 5.923 -6.048 1.00 0.00 C ATOM 219 CG2 ILE A 18 5.831 6.677 -3.705 1.00 0.00 C ATOM 220 CD1 ILE A 18 5.127 4.992 -6.078 1.00 0.00 C ATOM 0 H ILE A 18 6.109 8.238 -7.412 1.00 0.00 H new ATOM 0 HA ILE A 18 4.043 7.502 -5.541 1.00 0.00 H new ATOM 0 HB ILE A 18 7.052 7.707 -5.118 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.520 6.276 -7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.198 5.365 -5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.643 6.043 -3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.740 7.549 -3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.898 6.114 -3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.333 4.159 -6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.938 4.610 -5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.250 5.535 -6.430 1.00 0.00 H new ATOM 232 N THR A 19 3.960 9.422 -3.955 1.00 0.00 N ATOM 233 CA THR A 19 3.811 10.600 -3.109 1.00 0.00 C ATOM 234 C THR A 19 3.688 10.210 -1.641 1.00 0.00 C ATOM 235 O THR A 19 3.294 9.089 -1.317 1.00 0.00 O ATOM 236 CB THR A 19 2.579 11.430 -3.513 1.00 0.00 C ATOM 237 OG1 THR A 19 1.405 10.610 -3.487 1.00 0.00 O ATOM 238 CG2 THR A 19 2.757 12.023 -4.903 1.00 0.00 C ATOM 0 H THR A 19 3.245 8.708 -3.813 1.00 0.00 H new ATOM 0 HA THR A 19 4.708 11.204 -3.248 1.00 0.00 H new ATOM 0 HB THR A 19 2.469 12.245 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.626 11.146 -3.744 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.874 12.605 -5.166 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.634 12.670 -4.913 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.891 11.219 -5.627 1.00 0.00 H new ATOM 246 N ALA A 20 4.026 11.141 -0.755 1.00 0.00 N ATOM 247 CA ALA A 20 3.950 10.895 0.679 1.00 0.00 C ATOM 248 C ALA A 20 2.604 10.289 1.062 1.00 0.00 C ATOM 249 O ALA A 20 2.514 9.495 1.998 1.00 0.00 O ATOM 250 CB ALA A 20 4.188 12.186 1.449 1.00 0.00 C ATOM 0 H ALA A 20 4.355 12.073 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 20 4.729 10.179 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.128 11.988 2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.176 12.577 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.430 12.919 1.173 1.00 0.00 H new ATOM 256 N ALA A 21 1.560 10.668 0.332 1.00 0.00 N ATOM 257 CA ALA A 21 0.220 10.161 0.594 1.00 0.00 C ATOM 258 C ALA A 21 0.213 8.637 0.663 1.00 0.00 C ATOM 259 O ALA A 21 -0.569 8.044 1.406 1.00 0.00 O ATOM 260 CB ALA A 21 -0.747 10.646 -0.475 1.00 0.00 C ATOM 0 H ALA A 21 1.617 11.325 -0.446 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.103 10.545 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.744 10.259 -0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.773 11.736 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.418 10.291 -1.452 1.00 0.00 H new ATOM 266 N ILE A 22 1.088 8.011 -0.116 1.00 0.00 N ATOM 267 CA ILE A 22 1.183 6.556 -0.142 1.00 0.00 C ATOM 268 C ILE A 22 1.098 5.975 1.265 1.00 0.00 C ATOM 269 O ILE A 22 0.533 4.900 1.471 1.00 0.00 O ATOM 270 CB ILE A 22 2.495 6.089 -0.800 1.00 0.00 C ATOM 271 CG1 ILE A 22 2.490 4.569 -0.975 1.00 0.00 C ATOM 272 CG2 ILE A 22 3.690 6.528 0.033 1.00 0.00 C ATOM 273 CD1 ILE A 22 3.356 4.090 -2.119 1.00 0.00 C ATOM 0 H ILE A 22 1.741 8.488 -0.738 1.00 0.00 H new ATOM 0 HA ILE A 22 0.341 6.195 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 22 2.575 6.549 -1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.833 4.104 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.466 4.234 -1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.610 6.191 -0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.699 7.615 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.618 6.093 1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.305 3.003 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.000 4.527 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.388 4.395 -1.946 1.00 0.00 H new ATOM 285 N TYR A 23 1.661 6.692 2.231 1.00 0.00 N ATOM 286 CA TYR A 23 1.649 6.247 3.620 1.00 0.00 C ATOM 287 C TYR A 23 0.229 6.238 4.177 1.00 0.00 C ATOM 288 O TYR A 23 -0.198 5.269 4.805 1.00 0.00 O ATOM 289 CB TYR A 23 2.539 7.151 4.474 1.00 0.00 C ATOM 290 CG TYR A 23 4.001 7.096 4.094 1.00 0.00 C ATOM 291 CD1 TYR A 23 4.719 5.910 4.186 1.00 0.00 C ATOM 292 CD2 TYR A 23 4.664 8.230 3.641 1.00 0.00 C ATOM 293 CE1 TYR A 23 6.056 5.856 3.841 1.00 0.00 C ATOM 294 CE2 TYR A 23 6.000 8.185 3.292 1.00 0.00 C ATOM 295 CZ TYR A 23 6.691 6.996 3.394 1.00 0.00 C ATOM 296 OH TYR A 23 8.022 6.945 3.047 1.00 0.00 O ATOM 0 H TYR A 23 2.132 7.584 2.078 1.00 0.00 H new ATOM 0 HA TYR A 23 2.038 5.229 3.653 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.188 8.179 4.387 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.434 6.866 5.521 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.224 5.015 4.533 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.126 9.163 3.560 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.601 4.927 3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.500 9.076 2.941 1.00 0.00 H new ATOM 0 HH TYR A 23 8.257 7.746 2.534 1.00 0.00 H new ATOM 306 N ASP A 24 -0.498 7.325 3.942 1.00 0.00 N ATOM 307 CA ASP A 24 -1.872 7.443 4.418 1.00 0.00 C ATOM 308 C ASP A 24 -2.753 6.355 3.813 1.00 0.00 C ATOM 309 O ASP A 24 -3.513 5.694 4.521 1.00 0.00 O ATOM 310 CB ASP A 24 -2.436 8.823 4.075 1.00 0.00 C ATOM 311 CG ASP A 24 -2.124 9.857 5.138 1.00 0.00 C ATOM 312 OD1 ASP A 24 -2.847 9.900 6.155 1.00 0.00 O ATOM 313 OD2 ASP A 24 -1.155 10.623 4.953 1.00 0.00 O ATOM 0 H ASP A 24 -0.159 8.137 3.425 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.867 7.320 5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.026 9.153 3.120 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.516 8.750 3.950 1.00 0.00 H new ATOM 318 N GLU A 25 -2.645 6.174 2.501 1.00 0.00 N ATOM 319 CA GLU A 25 -3.433 5.167 1.801 1.00 0.00 C ATOM 320 C GLU A 25 -3.262 3.796 2.449 1.00 0.00 C ATOM 321 O GLU A 25 -4.203 3.003 2.507 1.00 0.00 O ATOM 322 CB GLU A 25 -3.027 5.101 0.328 1.00 0.00 C ATOM 323 CG GLU A 25 -3.116 6.438 -0.388 1.00 0.00 C ATOM 324 CD GLU A 25 -3.430 6.290 -1.865 1.00 0.00 C ATOM 325 OE1 GLU A 25 -4.546 5.834 -2.190 1.00 0.00 O ATOM 326 OE2 GLU A 25 -2.560 6.629 -2.694 1.00 0.00 O ATOM 0 H GLU A 25 -2.019 6.712 1.901 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.483 5.454 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.005 4.728 0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.665 4.381 -0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.886 7.048 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.172 6.971 -0.273 1.00 0.00 H new ATOM 333 N ILE A 26 -2.055 3.523 2.933 1.00 0.00 N ATOM 334 CA ILE A 26 -1.761 2.249 3.577 1.00 0.00 C ATOM 335 C ILE A 26 -2.495 2.122 4.907 1.00 0.00 C ATOM 336 O ILE A 26 -3.017 1.058 5.240 1.00 0.00 O ATOM 337 CB ILE A 26 -0.249 2.077 3.819 1.00 0.00 C ATOM 338 CG1 ILE A 26 0.504 2.054 2.488 1.00 0.00 C ATOM 339 CG2 ILE A 26 0.019 0.804 4.608 1.00 0.00 C ATOM 340 CD1 ILE A 26 1.948 2.487 2.603 1.00 0.00 C ATOM 0 H ILE A 26 -1.265 4.167 2.891 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.104 1.467 2.900 1.00 0.00 H new ATOM 0 HB ILE A 26 0.109 2.925 4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.467 1.045 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.007 2.706 1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.091 0.696 4.771 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.491 0.858 5.570 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.351 -0.055 4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.419 2.446 1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.993 3.507 2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.474 1.821 3.286 1.00 0.00 H new ATOM 352 N GLN A 27 -2.533 3.215 5.662 1.00 0.00 N ATOM 353 CA GLN A 27 -3.205 3.226 6.956 1.00 0.00 C ATOM 354 C GLN A 27 -4.697 2.953 6.797 1.00 0.00 C ATOM 355 O GLN A 27 -5.248 2.065 7.447 1.00 0.00 O ATOM 356 CB GLN A 27 -2.993 4.571 7.654 1.00 0.00 C ATOM 357 CG GLN A 27 -1.530 4.902 7.904 1.00 0.00 C ATOM 358 CD GLN A 27 -1.347 5.984 8.950 1.00 0.00 C ATOM 359 OE1 GLN A 27 -1.028 5.699 10.105 1.00 0.00 O ATOM 360 NE2 GLN A 27 -1.549 7.234 8.551 1.00 0.00 N ATOM 0 H GLN A 27 -2.107 4.104 5.400 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.772 2.435 7.568 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.437 5.360 7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.523 4.565 8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.007 4.001 8.224 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.069 5.223 6.970 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.812 7.424 7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.441 8.004 9.211 1.00 0.00 H new ATOM 369 N GLN A 28 -5.345 3.723 5.928 1.00 0.00 N ATOM 370 CA GLN A 28 -6.774 3.563 5.685 1.00 0.00 C ATOM 371 C GLN A 28 -7.068 2.219 5.027 1.00 0.00 C ATOM 372 O GLN A 28 -7.946 1.480 5.471 1.00 0.00 O ATOM 373 CB GLN A 28 -7.293 4.701 4.803 1.00 0.00 C ATOM 374 CG GLN A 28 -7.195 6.070 5.456 1.00 0.00 C ATOM 375 CD GLN A 28 -7.708 7.181 4.561 1.00 0.00 C ATOM 376 OE1 GLN A 28 -8.820 7.109 4.037 1.00 0.00 O ATOM 377 NE2 GLN A 28 -6.897 8.217 4.381 1.00 0.00 N ATOM 0 H GLN A 28 -4.904 4.463 5.381 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.286 3.595 6.647 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.730 4.712 3.870 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.334 4.504 4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.763 6.066 6.386 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.156 6.270 5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.984 8.235 4.835 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.187 8.995 3.789 1.00 0.00 H new ATOM 386 N GLU A 29 -6.327 1.910 3.967 1.00 0.00 N ATOM 387 CA GLU A 29 -6.510 0.655 3.248 1.00 0.00 C ATOM 388 C GLU A 29 -6.584 -0.522 4.217 1.00 0.00 C ATOM 389 O GLU A 29 -7.314 -1.485 3.986 1.00 0.00 O ATOM 390 CB GLU A 29 -5.368 0.440 2.254 1.00 0.00 C ATOM 391 CG GLU A 29 -5.551 -0.783 1.371 1.00 0.00 C ATOM 392 CD GLU A 29 -6.852 -0.752 0.593 1.00 0.00 C ATOM 393 OE1 GLU A 29 -7.133 0.279 -0.053 1.00 0.00 O ATOM 394 OE2 GLU A 29 -7.590 -1.759 0.631 1.00 0.00 O ATOM 0 H GLU A 29 -5.595 2.511 3.588 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.451 0.713 2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.277 1.323 1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.432 0.344 2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.716 -0.851 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.523 -1.680 1.989 1.00 0.00 H new ATOM 401 N MET A 30 -5.822 -0.435 5.303 1.00 0.00 N ATOM 402 CA MET A 30 -5.801 -1.492 6.308 1.00 0.00 C ATOM 403 C MET A 30 -7.151 -1.601 7.010 1.00 0.00 C ATOM 404 O MET A 30 -7.779 -2.660 7.008 1.00 0.00 O ATOM 405 CB MET A 30 -4.699 -1.227 7.335 1.00 0.00 C ATOM 406 CG MET A 30 -3.359 -1.840 6.960 1.00 0.00 C ATOM 407 SD MET A 30 -2.123 -1.654 8.260 1.00 0.00 S ATOM 408 CE MET A 30 -1.375 -0.094 7.796 1.00 0.00 C ATOM 0 H MET A 30 -5.212 0.356 5.509 1.00 0.00 H new ATOM 0 HA MET A 30 -5.597 -2.436 5.802 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.576 -0.151 7.455 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.012 -1.621 8.302 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.496 -2.899 6.743 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.993 -1.372 6.046 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.390 -0.276 7.367 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.004 0.407 7.060 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.275 0.538 8.678 1.00 0.00 H new ATOM 418 N LYS A 31 -7.591 -0.500 7.610 1.00 0.00 N ATOM 419 CA LYS A 31 -8.867 -0.471 8.315 1.00 0.00 C ATOM 420 C LYS A 31 -10.014 -0.842 7.381 1.00 0.00 C ATOM 421 O LYS A 31 -11.049 -1.343 7.821 1.00 0.00 O ATOM 422 CB LYS A 31 -9.111 0.916 8.914 1.00 0.00 C ATOM 423 CG LYS A 31 -9.856 1.857 7.984 1.00 0.00 C ATOM 424 CD LYS A 31 -11.361 1.718 8.137 1.00 0.00 C ATOM 425 CE LYS A 31 -11.903 2.663 9.198 1.00 0.00 C ATOM 426 NZ LYS A 31 -13.353 2.436 9.454 1.00 0.00 N ATOM 0 H LYS A 31 -7.083 0.384 7.622 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.825 -1.205 9.119 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.678 0.809 9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.152 1.363 9.178 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.562 2.885 8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.574 1.649 6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.845 1.925 7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.607 0.690 8.404 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.345 2.527 10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.747 3.694 8.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.685 3.099 10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.889 2.590 8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.499 1.460 9.782 1.00 0.00 H new ATOM 440 N ARG A 32 -9.823 -0.593 6.089 1.00 0.00 N ATOM 441 CA ARG A 32 -10.842 -0.901 5.093 1.00 0.00 C ATOM 442 C ARG A 32 -10.810 -2.381 4.722 1.00 0.00 C ATOM 443 O ARG A 32 -11.852 -3.000 4.507 1.00 0.00 O ATOM 444 CB ARG A 32 -10.637 -0.046 3.841 1.00 0.00 C ATOM 445 CG ARG A 32 -11.927 0.267 3.100 1.00 0.00 C ATOM 446 CD ARG A 32 -11.852 1.614 2.398 1.00 0.00 C ATOM 447 NE ARG A 32 -12.875 1.750 1.365 1.00 0.00 N ATOM 448 CZ ARG A 32 -13.336 2.920 0.937 1.00 0.00 C ATOM 449 NH1 ARG A 32 -12.867 4.049 1.450 1.00 0.00 N ATOM 450 NH2 ARG A 32 -14.268 2.962 -0.007 1.00 0.00 N ATOM 0 H ARG A 32 -8.972 -0.179 5.708 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.817 -0.673 5.525 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.155 0.889 4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.956 -0.563 3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.127 -0.516 2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.761 0.267 3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.969 2.412 3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.866 1.735 1.950 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.256 0.900 0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.150 4.021 2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.223 4.946 1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.631 2.095 -0.404 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.621 3.861 -0.335 1.00 0.00 H new ATOM 464 N ALA A 33 -9.607 -2.942 4.650 1.00 0.00 N ATOM 465 CA ALA A 33 -9.440 -4.348 4.306 1.00 0.00 C ATOM 466 C ALA A 33 -9.448 -5.223 5.555 1.00 0.00 C ATOM 467 O ALA A 33 -9.516 -6.449 5.467 1.00 0.00 O ATOM 468 CB ALA A 33 -8.149 -4.551 3.526 1.00 0.00 C ATOM 0 H ALA A 33 -8.734 -2.444 4.825 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.281 -4.646 3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.037 -5.606 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.181 -3.962 2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.303 -4.231 4.134 1.00 0.00 H new ATOM 474 N LYS A 34 -9.377 -4.585 6.719 1.00 0.00 N ATOM 475 CA LYS A 34 -9.376 -5.305 7.987 1.00 0.00 C ATOM 476 C LYS A 34 -8.120 -6.158 8.129 1.00 0.00 C ATOM 477 O LYS A 34 -8.192 -7.332 8.490 1.00 0.00 O ATOM 478 CB LYS A 34 -10.621 -6.188 8.096 1.00 0.00 C ATOM 479 CG LYS A 34 -11.847 -5.599 7.421 1.00 0.00 C ATOM 480 CD LYS A 34 -12.668 -4.763 8.389 1.00 0.00 C ATOM 481 CE LYS A 34 -11.820 -3.695 9.062 1.00 0.00 C ATOM 482 NZ LYS A 34 -11.301 -4.149 10.382 1.00 0.00 N ATOM 0 H LYS A 34 -9.319 -3.571 6.810 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.387 -4.571 8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.406 -7.161 7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.844 -6.359 9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.538 -4.982 6.577 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.464 -6.403 7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.493 -4.291 7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.109 -5.410 9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.984 -3.433 8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.414 -2.791 9.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.647 -3.513 11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.632 -5.117 10.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.261 -4.135 10.370 1.00 0.00 H new ATOM 496 N VAL A 35 -6.968 -5.559 7.842 1.00 0.00 N ATOM 497 CA VAL A 35 -5.695 -6.264 7.940 1.00 0.00 C ATOM 498 C VAL A 35 -4.741 -5.545 8.888 1.00 0.00 C ATOM 499 O VAL A 35 -5.053 -4.472 9.403 1.00 0.00 O ATOM 500 CB VAL A 35 -5.023 -6.403 6.561 1.00 0.00 C ATOM 501 CG1 VAL A 35 -6.005 -6.963 5.543 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.471 -5.063 6.100 1.00 0.00 C ATOM 0 H VAL A 35 -6.890 -4.588 7.540 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.912 -7.258 8.332 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.191 -7.101 6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.513 -7.054 4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.348 -7.945 5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.859 -6.292 5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.000 -5.180 5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.284 -4.341 6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.733 -4.707 6.819 1.00 0.00 H new ATOM 512 N SER A 36 -3.576 -6.145 9.113 1.00 0.00 N ATOM 513 CA SER A 36 -2.577 -5.564 10.002 1.00 0.00 C ATOM 514 C SER A 36 -1.355 -5.098 9.215 1.00 0.00 C ATOM 515 O SER A 36 -1.054 -5.628 8.146 1.00 0.00 O ATOM 516 CB SER A 36 -2.155 -6.581 11.064 1.00 0.00 C ATOM 517 OG SER A 36 -0.968 -6.172 11.720 1.00 0.00 O ATOM 0 H SER A 36 -3.301 -7.033 8.692 1.00 0.00 H new ATOM 0 HA SER A 36 -3.023 -4.700 10.494 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.955 -6.701 11.795 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.000 -7.554 10.598 1.00 0.00 H new ATOM 0 HG SER A 36 -0.721 -6.838 12.395 1.00 0.00 H new ATOM 523 N GLN A 37 -0.657 -4.104 9.753 1.00 0.00 N ATOM 524 CA GLN A 37 0.531 -3.566 9.101 1.00 0.00 C ATOM 525 C GLN A 37 1.429 -4.689 8.593 1.00 0.00 C ATOM 526 O GLN A 37 2.095 -4.548 7.567 1.00 0.00 O ATOM 527 CB GLN A 37 1.310 -2.673 10.069 1.00 0.00 C ATOM 528 CG GLN A 37 0.433 -1.996 11.110 1.00 0.00 C ATOM 529 CD GLN A 37 0.984 -0.654 11.553 1.00 0.00 C ATOM 530 OE1 GLN A 37 2.002 -0.189 11.041 1.00 0.00 O ATOM 531 NE2 GLN A 37 0.312 -0.025 12.510 1.00 0.00 N ATOM 0 H GLN A 37 -0.893 -3.655 10.638 1.00 0.00 H new ATOM 0 HA GLN A 37 0.207 -2.970 8.248 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.065 -3.273 10.577 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.840 -1.909 9.500 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.568 -1.857 10.701 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.335 -2.649 11.977 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.527 -0.448 12.906 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.635 0.881 12.849 1.00 0.00 H new ATOM 540 N ALA A 38 1.443 -5.803 9.317 1.00 0.00 N ATOM 541 CA ALA A 38 2.257 -6.951 8.938 1.00 0.00 C ATOM 542 C ALA A 38 1.726 -7.605 7.667 1.00 0.00 C ATOM 543 O ALA A 38 2.496 -7.985 6.784 1.00 0.00 O ATOM 544 CB ALA A 38 2.306 -7.961 10.074 1.00 0.00 C ATOM 0 H ALA A 38 0.899 -5.935 10.170 1.00 0.00 H new ATOM 0 HA ALA A 38 3.269 -6.598 8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.917 -8.813 9.777 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.740 -7.494 10.958 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.296 -8.301 10.302 1.00 0.00 H new ATOM 550 N LEU A 39 0.407 -7.735 7.581 1.00 0.00 N ATOM 551 CA LEU A 39 -0.227 -8.345 6.417 1.00 0.00 C ATOM 552 C LEU A 39 -0.099 -7.445 5.193 1.00 0.00 C ATOM 553 O LEU A 39 0.532 -7.812 4.202 1.00 0.00 O ATOM 554 CB LEU A 39 -1.703 -8.626 6.706 1.00 0.00 C ATOM 555 CG LEU A 39 -2.493 -9.288 5.576 1.00 0.00 C ATOM 556 CD1 LEU A 39 -1.770 -10.528 5.074 1.00 0.00 C ATOM 557 CD2 LEU A 39 -3.898 -9.640 6.043 1.00 0.00 C ATOM 0 H LEU A 39 -0.244 -7.426 8.303 1.00 0.00 H new ATOM 0 HA LEU A 39 0.282 -9.286 6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.765 -9.263 7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.189 -7.684 6.959 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.572 -8.580 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.347 -10.985 4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.785 -10.248 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.659 -11.240 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.446 -10.110 5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.839 -10.330 6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.416 -8.733 6.353 1.00 0.00 H new ATOM 569 N PHE A 40 -0.701 -6.262 5.269 1.00 0.00 N ATOM 570 CA PHE A 40 -0.653 -5.308 4.167 1.00 0.00 C ATOM 571 C PHE A 40 0.760 -5.201 3.601 1.00 0.00 C ATOM 572 O PHE A 40 0.947 -5.059 2.393 1.00 0.00 O ATOM 573 CB PHE A 40 -1.133 -3.932 4.634 1.00 0.00 C ATOM 574 CG PHE A 40 -1.005 -2.864 3.586 1.00 0.00 C ATOM 575 CD1 PHE A 40 0.235 -2.336 3.264 1.00 0.00 C ATOM 576 CD2 PHE A 40 -2.124 -2.390 2.922 1.00 0.00 C ATOM 577 CE1 PHE A 40 0.355 -1.353 2.300 1.00 0.00 C ATOM 578 CE2 PHE A 40 -2.010 -1.407 1.956 1.00 0.00 C ATOM 579 CZ PHE A 40 -0.769 -0.889 1.645 1.00 0.00 C ATOM 0 H PHE A 40 -1.227 -5.942 6.082 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.315 -5.668 3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.176 -4.005 4.941 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.562 -3.636 5.514 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.117 -2.697 3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.097 -2.793 3.161 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.327 -0.948 2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.890 -1.045 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.677 -0.122 0.890 1.00 0.00 H new ATOM 589 N ALA A 41 1.751 -5.269 4.484 1.00 0.00 N ATOM 590 CA ALA A 41 3.147 -5.181 4.074 1.00 0.00 C ATOM 591 C ALA A 41 3.647 -6.518 3.538 1.00 0.00 C ATOM 592 O ALA A 41 4.593 -6.570 2.752 1.00 0.00 O ATOM 593 CB ALA A 41 4.011 -4.721 5.238 1.00 0.00 C ATOM 0 H ALA A 41 1.613 -5.385 5.488 1.00 0.00 H new ATOM 0 HA ALA A 41 3.218 -4.448 3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.051 -4.660 4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.676 -3.739 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.926 -5.434 6.058 1.00 0.00 H new ATOM 599 N LYS A 42 3.006 -7.600 3.968 1.00 0.00 N ATOM 600 CA LYS A 42 3.384 -8.938 3.532 1.00 0.00 C ATOM 601 C LYS A 42 2.726 -9.283 2.199 1.00 0.00 C ATOM 602 O LYS A 42 3.238 -10.102 1.436 1.00 0.00 O ATOM 603 CB LYS A 42 2.991 -9.972 4.589 1.00 0.00 C ATOM 604 CG LYS A 42 3.350 -11.398 4.209 1.00 0.00 C ATOM 605 CD LYS A 42 2.229 -12.067 3.432 1.00 0.00 C ATOM 606 CE LYS A 42 2.752 -13.203 2.566 1.00 0.00 C ATOM 607 NZ LYS A 42 3.194 -12.722 1.228 1.00 0.00 N ATOM 0 H LYS A 42 2.221 -7.575 4.619 1.00 0.00 H new ATOM 0 HA LYS A 42 4.466 -8.957 3.399 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.481 -9.721 5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.917 -9.911 4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.260 -11.397 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.563 -11.973 5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.482 -12.452 4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.730 -11.329 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.586 -13.690 3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.972 -13.954 2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.686 -13.245 0.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.988 -11.706 1.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.217 -12.879 1.123 1.00 0.00 H new ATOM 621 N VAL A 43 1.589 -8.651 1.925 1.00 0.00 N ATOM 622 CA VAL A 43 0.863 -8.889 0.684 1.00 0.00 C ATOM 623 C VAL A 43 1.099 -7.762 -0.316 1.00 0.00 C ATOM 624 O VAL A 43 0.785 -7.891 -1.498 1.00 0.00 O ATOM 625 CB VAL A 43 -0.650 -9.027 0.936 1.00 0.00 C ATOM 626 CG1 VAL A 43 -0.950 -10.310 1.696 1.00 0.00 C ATOM 627 CG2 VAL A 43 -1.177 -7.816 1.691 1.00 0.00 C ATOM 0 H VAL A 43 1.151 -7.970 2.546 1.00 0.00 H new ATOM 0 HA VAL A 43 1.242 -9.824 0.271 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.158 -9.076 -0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.024 -10.390 1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.609 -11.166 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.432 -10.294 2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.248 -7.930 1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.665 -7.734 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.997 -6.915 1.105 1.00 0.00 H new ATOM 637 N ALA A 44 1.655 -6.656 0.168 1.00 0.00 N ATOM 638 CA ALA A 44 1.936 -5.507 -0.683 1.00 0.00 C ATOM 639 C ALA A 44 3.411 -5.455 -1.067 1.00 0.00 C ATOM 640 O ALA A 44 3.756 -5.472 -2.248 1.00 0.00 O ATOM 641 CB ALA A 44 1.526 -4.219 0.016 1.00 0.00 C ATOM 0 H ALA A 44 1.920 -6.532 1.145 1.00 0.00 H new ATOM 0 HA ALA A 44 1.353 -5.613 -1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.742 -3.369 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.458 -4.247 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.084 -4.117 0.947 1.00 0.00 H new ATOM 647 N ALA A 45 4.278 -5.392 -0.061 1.00 0.00 N ATOM 648 CA ALA A 45 5.716 -5.340 -0.293 1.00 0.00 C ATOM 649 C ALA A 45 6.391 -6.634 0.146 1.00 0.00 C ATOM 650 O ALA A 45 7.596 -6.808 -0.030 1.00 0.00 O ATOM 651 CB ALA A 45 6.325 -4.151 0.435 1.00 0.00 C ATOM 0 H ALA A 45 4.009 -5.376 0.923 1.00 0.00 H new ATOM 0 HA ALA A 45 5.882 -5.221 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.399 -4.124 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.872 -3.230 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.140 -4.246 1.505 1.00 0.00 H new ATOM 657 N ASN A 46 5.606 -7.540 0.721 1.00 0.00 N ATOM 658 CA ASN A 46 6.128 -8.819 1.187 1.00 0.00 C ATOM 659 C ASN A 46 7.201 -8.612 2.252 1.00 0.00 C ATOM 660 O ASN A 46 8.081 -9.454 2.435 1.00 0.00 O ATOM 661 CB ASN A 46 6.705 -9.616 0.015 1.00 0.00 C ATOM 662 CG ASN A 46 6.900 -11.082 0.353 1.00 0.00 C ATOM 663 OD1 ASN A 46 6.856 -11.472 1.520 1.00 0.00 O ATOM 664 ND2 ASN A 46 7.118 -11.901 -0.669 1.00 0.00 N ATOM 0 H ASN A 46 4.606 -7.412 0.875 1.00 0.00 H new ATOM 0 HA ASN A 46 5.305 -9.380 1.629 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.038 -9.529 -0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.661 -9.183 -0.279 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.257 -12.898 -0.503 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.146 -11.533 -1.620 1.00 0.00 H new ATOM 671 N LYS A 47 7.121 -7.487 2.954 1.00 0.00 N ATOM 672 CA LYS A 47 8.083 -7.168 4.003 1.00 0.00 C ATOM 673 C LYS A 47 7.516 -7.501 5.379 1.00 0.00 C ATOM 674 O LYS A 47 6.424 -8.057 5.494 1.00 0.00 O ATOM 675 CB LYS A 47 8.464 -5.688 3.941 1.00 0.00 C ATOM 676 CG LYS A 47 9.607 -5.393 2.984 1.00 0.00 C ATOM 677 CD LYS A 47 10.957 -5.537 3.667 1.00 0.00 C ATOM 678 CE LYS A 47 12.007 -4.648 3.018 1.00 0.00 C ATOM 679 NZ LYS A 47 13.295 -4.676 3.764 1.00 0.00 N ATOM 0 H LYS A 47 6.399 -6.780 2.816 1.00 0.00 H new ATOM 0 HA LYS A 47 8.975 -7.773 3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.591 -5.109 3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.741 -5.351 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.555 -6.072 2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.503 -4.381 2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.862 -5.279 4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.280 -6.577 3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.175 -4.974 1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.637 -3.624 2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.084 -4.536 3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.301 -3.917 4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.401 -5.595 4.239 1.00 0.00 H new ATOM 693 N SER A 48 8.265 -7.156 6.422 1.00 0.00 N ATOM 694 CA SER A 48 7.839 -7.421 7.791 1.00 0.00 C ATOM 695 C SER A 48 7.221 -6.175 8.418 1.00 0.00 C ATOM 696 O SER A 48 7.636 -5.052 8.129 1.00 0.00 O ATOM 697 CB SER A 48 9.023 -7.897 8.634 1.00 0.00 C ATOM 698 OG SER A 48 9.317 -9.259 8.378 1.00 0.00 O ATOM 0 H SER A 48 9.170 -6.692 6.345 1.00 0.00 H new ATOM 0 HA SER A 48 7.083 -8.206 7.764 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.898 -7.286 8.415 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.797 -7.763 9.692 1.00 0.00 H new ATOM 0 HG SER A 48 10.079 -9.538 8.928 1.00 0.00 H new ATOM 704 N GLN A 49 6.228 -6.382 9.276 1.00 0.00 N ATOM 705 CA GLN A 49 5.553 -5.276 9.944 1.00 0.00 C ATOM 706 C GLN A 49 6.534 -4.152 10.264 1.00 0.00 C ATOM 707 O GLN A 49 6.323 -3.003 9.880 1.00 0.00 O ATOM 708 CB GLN A 49 4.879 -5.762 11.228 1.00 0.00 C ATOM 709 CG GLN A 49 3.658 -4.947 11.621 1.00 0.00 C ATOM 710 CD GLN A 49 3.248 -5.168 13.064 1.00 0.00 C ATOM 711 OE1 GLN A 49 4.008 -4.880 13.988 1.00 0.00 O ATOM 712 NE2 GLN A 49 2.040 -5.682 13.264 1.00 0.00 N ATOM 0 H GLN A 49 5.873 -7.305 9.525 1.00 0.00 H new ATOM 0 HA GLN A 49 4.792 -4.887 9.268 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.585 -6.804 11.102 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.603 -5.732 12.042 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.867 -3.889 11.465 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.826 -5.208 10.967 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.443 -5.906 12.468 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.709 -5.853 14.214 1.00 0.00 H new ATOM 721 N GLY A 50 7.607 -4.494 10.970 1.00 0.00 N ATOM 722 CA GLY A 50 8.604 -3.503 11.330 1.00 0.00 C ATOM 723 C GLY A 50 8.940 -2.574 10.181 1.00 0.00 C ATOM 724 O GLY A 50 9.077 -1.365 10.370 1.00 0.00 O ATOM 0 H GLY A 50 7.804 -5.439 11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.240 -2.916 12.173 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.511 -4.009 11.661 1.00 0.00 H new ATOM 728 N TRP A 51 9.074 -3.139 8.986 1.00 0.00 N ATOM 729 CA TRP A 51 9.398 -2.352 7.801 1.00 0.00 C ATOM 730 C TRP A 51 8.227 -1.462 7.402 1.00 0.00 C ATOM 731 O TRP A 51 8.418 -0.378 6.848 1.00 0.00 O ATOM 732 CB TRP A 51 9.774 -3.273 6.639 1.00 0.00 C ATOM 733 CG TRP A 51 10.075 -2.536 5.370 1.00 0.00 C ATOM 734 CD1 TRP A 51 11.305 -2.149 4.919 1.00 0.00 C ATOM 735 CD2 TRP A 51 9.129 -2.095 4.390 1.00 0.00 C ATOM 736 NE1 TRP A 51 11.180 -1.494 3.717 1.00 0.00 N ATOM 737 CE2 TRP A 51 9.856 -1.449 3.371 1.00 0.00 C ATOM 738 CE3 TRP A 51 7.740 -2.186 4.272 1.00 0.00 C ATOM 739 CZ2 TRP A 51 9.238 -0.896 2.252 1.00 0.00 C ATOM 740 CZ3 TRP A 51 7.128 -1.636 3.162 1.00 0.00 C ATOM 741 CH2 TRP A 51 7.876 -0.999 2.163 1.00 0.00 C ATOM 0 H TRP A 51 8.963 -4.138 8.812 1.00 0.00 H new ATOM 0 HA TRP A 51 10.249 -1.715 8.040 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.644 -3.866 6.922 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.957 -3.972 6.460 1.00 0.00 H new ATOM 0 HD1 TRP A 51 12.238 -2.331 5.431 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.949 -1.105 3.171 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.155 -2.678 5.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.813 -0.403 1.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.054 -1.698 3.063 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.368 -0.581 1.306 1.00 0.00 H new ATOM 752 N LEU A 52 7.014 -1.924 7.685 1.00 0.00 N ATOM 753 CA LEU A 52 5.811 -1.169 7.356 1.00 0.00 C ATOM 754 C LEU A 52 5.529 -0.104 8.411 1.00 0.00 C ATOM 755 O LEU A 52 5.499 1.090 8.111 1.00 0.00 O ATOM 756 CB LEU A 52 4.611 -2.111 7.233 1.00 0.00 C ATOM 757 CG LEU A 52 3.348 -1.511 6.614 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.879 -0.308 7.416 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.597 -1.123 5.163 1.00 0.00 C ATOM 0 H LEU A 52 6.838 -2.819 8.142 1.00 0.00 H new ATOM 0 HA LEU A 52 5.975 -0.672 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.910 -2.972 6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.363 -2.483 8.227 1.00 0.00 H new ATOM 0 HG LEU A 52 2.562 -2.266 6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.979 0.105 6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.659 -0.616 8.438 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.662 0.450 7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.687 -0.698 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.398 -0.386 5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.884 -2.007 4.594 1.00 0.00 H new ATOM 771 N CYS A 53 5.327 -0.544 9.648 1.00 0.00 N ATOM 772 CA CYS A 53 5.049 0.371 10.750 1.00 0.00 C ATOM 773 C CYS A 53 5.933 1.611 10.661 1.00 0.00 C ATOM 774 O CYS A 53 5.445 2.738 10.731 1.00 0.00 O ATOM 775 CB CYS A 53 5.267 -0.331 12.091 1.00 0.00 C ATOM 776 SG CYS A 53 4.273 0.338 13.444 1.00 0.00 S ATOM 0 H CYS A 53 5.350 -1.529 9.913 1.00 0.00 H new ATOM 0 HA CYS A 53 4.007 0.683 10.678 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.038 -1.390 11.976 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.321 -0.260 12.359 1.00 0.00 H new ATOM 0 HG CYS A 53 3.025 0.387 13.083 1.00 0.00 H new ATOM 782 N GLU A 54 7.236 1.393 10.510 1.00 0.00 N ATOM 783 CA GLU A 54 8.187 2.494 10.415 1.00 0.00 C ATOM 784 C GLU A 54 7.768 3.484 9.332 1.00 0.00 C ATOM 785 O GLU A 54 7.639 4.682 9.586 1.00 0.00 O ATOM 786 CB GLU A 54 9.591 1.960 10.119 1.00 0.00 C ATOM 787 CG GLU A 54 10.183 1.142 11.254 1.00 0.00 C ATOM 788 CD GLU A 54 11.433 0.390 10.840 1.00 0.00 C ATOM 789 OE1 GLU A 54 11.320 -0.530 10.002 1.00 0.00 O ATOM 790 OE2 GLU A 54 12.522 0.720 11.353 1.00 0.00 O ATOM 0 H GLU A 54 7.656 0.465 10.451 1.00 0.00 H new ATOM 0 HA GLU A 54 8.198 3.014 11.373 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.554 1.345 9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.252 2.800 9.904 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.420 1.803 12.088 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.438 0.432 11.612 1.00 0.00 H new ATOM 797 N LEU A 55 7.558 2.974 8.123 1.00 0.00 N ATOM 798 CA LEU A 55 7.154 3.812 6.999 1.00 0.00 C ATOM 799 C LEU A 55 6.076 4.806 7.420 1.00 0.00 C ATOM 800 O LEU A 55 6.107 5.974 7.031 1.00 0.00 O ATOM 801 CB LEU A 55 6.643 2.944 5.848 1.00 0.00 C ATOM 802 CG LEU A 55 7.689 2.500 4.826 1.00 0.00 C ATOM 803 CD1 LEU A 55 9.024 2.240 5.507 1.00 0.00 C ATOM 804 CD2 LEU A 55 7.217 1.258 4.084 1.00 0.00 C ATOM 0 H LEU A 55 7.661 1.985 7.896 1.00 0.00 H new ATOM 0 HA LEU A 55 8.027 4.372 6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.176 2.054 6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.862 3.495 5.323 1.00 0.00 H new ATOM 0 HG LEU A 55 7.824 3.303 4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.756 1.925 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.369 3.153 5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.905 1.455 6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.975 0.957 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.053 0.449 4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.285 1.478 3.563 1.00 0.00 H new ATOM 816 N LEU A 56 5.125 4.335 8.220 1.00 0.00 N ATOM 817 CA LEU A 56 4.038 5.182 8.697 1.00 0.00 C ATOM 818 C LEU A 56 4.507 6.081 9.836 1.00 0.00 C ATOM 819 O LEU A 56 3.925 7.136 10.087 1.00 0.00 O ATOM 820 CB LEU A 56 2.862 4.322 9.162 1.00 0.00 C ATOM 821 CG LEU A 56 2.519 3.119 8.282 1.00 0.00 C ATOM 822 CD1 LEU A 56 1.394 2.306 8.903 1.00 0.00 C ATOM 823 CD2 LEU A 56 2.138 3.576 6.881 1.00 0.00 C ATOM 0 H LEU A 56 5.085 3.371 8.552 1.00 0.00 H new ATOM 0 HA LEU A 56 3.714 5.814 7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.077 3.961 10.168 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.979 4.958 9.234 1.00 0.00 H new ATOM 0 HG LEU A 56 3.401 2.483 8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.164 1.454 8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.703 1.948 9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.507 2.932 9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.897 2.708 6.268 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.270 4.233 6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.974 4.115 6.434 1.00 0.00 H new ATOM 835 N ARG A 57 5.565 5.657 10.520 1.00 0.00 N ATOM 836 CA ARG A 57 6.114 6.425 11.631 1.00 0.00 C ATOM 837 C ARG A 57 6.966 7.584 11.123 1.00 0.00 C ATOM 838 O ARG A 57 6.700 8.745 11.435 1.00 0.00 O ATOM 839 CB ARG A 57 6.951 5.521 12.538 1.00 0.00 C ATOM 840 CG ARG A 57 7.828 6.285 13.516 1.00 0.00 C ATOM 841 CD ARG A 57 8.650 5.343 14.381 1.00 0.00 C ATOM 842 NE ARG A 57 8.926 5.909 15.699 1.00 0.00 N ATOM 843 CZ ARG A 57 9.938 5.522 16.468 1.00 0.00 C ATOM 844 NH1 ARG A 57 10.765 4.572 16.053 1.00 0.00 N ATOM 845 NH2 ARG A 57 10.123 6.085 17.655 1.00 0.00 N ATOM 0 H ARG A 57 6.059 4.786 10.324 1.00 0.00 H new ATOM 0 HA ARG A 57 5.282 6.834 12.204 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.285 4.864 13.097 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.582 4.883 11.919 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.494 6.950 12.966 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.204 6.913 14.152 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.117 4.399 14.496 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.591 5.118 13.879 1.00 0.00 H new ATOM 0 HE ARG A 57 8.308 6.641 16.048 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.625 4.136 15.141 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.541 4.277 16.645 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.488 6.815 17.978 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.900 5.788 18.245 1.00 0.00 H new ATOM 859 N TRP A 58 7.989 7.261 10.341 1.00 0.00 N ATOM 860 CA TRP A 58 8.880 8.275 9.790 1.00 0.00 C ATOM 861 C TRP A 58 8.227 8.994 8.615 1.00 0.00 C ATOM 862 O TRP A 58 8.366 10.207 8.461 1.00 0.00 O ATOM 863 CB TRP A 58 10.198 7.639 9.346 1.00 0.00 C ATOM 864 CG TRP A 58 10.886 6.875 10.437 1.00 0.00 C ATOM 865 CD1 TRP A 58 10.748 5.547 10.721 1.00 0.00 C ATOM 866 CD2 TRP A 58 11.819 7.396 11.391 1.00 0.00 C ATOM 867 NE1 TRP A 58 11.538 5.210 11.793 1.00 0.00 N ATOM 868 CE2 TRP A 58 12.206 6.326 12.222 1.00 0.00 C ATOM 869 CE3 TRP A 58 12.366 8.661 11.622 1.00 0.00 C ATOM 870 CZ2 TRP A 58 13.113 6.486 13.266 1.00 0.00 C ATOM 871 CZ3 TRP A 58 13.266 8.817 12.659 1.00 0.00 C ATOM 872 CH2 TRP A 58 13.633 7.735 13.470 1.00 0.00 C ATOM 0 H TRP A 58 8.222 6.305 10.074 1.00 0.00 H new ATOM 0 HA TRP A 58 9.083 9.007 10.572 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.006 6.969 8.508 1.00 0.00 H new ATOM 0 HB3 TRP A 58 10.866 8.420 8.982 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.111 4.862 10.182 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.615 4.279 12.203 1.00 0.00 H new ATOM 0 HE3 TRP A 58 12.091 9.501 11.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.396 5.653 13.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.694 9.790 12.848 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.340 7.890 14.272 1.00 0.00 H new ATOM 883 N LYS A 59 7.514 8.238 7.787 1.00 0.00 N ATOM 884 CA LYS A 59 6.837 8.802 6.625 1.00 0.00 C ATOM 885 C LYS A 59 7.806 9.616 5.773 1.00 0.00 C ATOM 886 O LYS A 59 7.463 10.691 5.283 1.00 0.00 O ATOM 887 CB LYS A 59 5.668 9.684 7.069 1.00 0.00 C ATOM 888 CG LYS A 59 4.506 8.902 7.657 1.00 0.00 C ATOM 889 CD LYS A 59 3.255 9.758 7.764 1.00 0.00 C ATOM 890 CE LYS A 59 1.995 8.906 7.757 1.00 0.00 C ATOM 891 NZ LYS A 59 0.770 9.730 7.558 1.00 0.00 N ATOM 0 H LYS A 59 7.390 7.232 7.899 1.00 0.00 H new ATOM 0 HA LYS A 59 6.455 7.978 6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.025 10.400 7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.313 10.259 6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.300 8.031 7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.779 8.530 8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.293 10.346 8.681 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.223 10.463 6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.065 8.161 6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.918 8.363 8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.067 9.113 7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.690 10.424 8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.831 10.229 6.647 1.00 0.00 H new ATOM 905 N GLU A 60 9.017 9.095 5.601 1.00 0.00 N ATOM 906 CA GLU A 60 10.035 9.774 4.808 1.00 0.00 C ATOM 907 C GLU A 60 9.485 10.165 3.439 1.00 0.00 C ATOM 908 O GLU A 60 8.661 9.456 2.864 1.00 0.00 O ATOM 909 CB GLU A 60 11.264 8.879 4.640 1.00 0.00 C ATOM 910 CG GLU A 60 12.567 9.651 4.517 1.00 0.00 C ATOM 911 CD GLU A 60 12.830 10.130 3.103 1.00 0.00 C ATOM 912 OE1 GLU A 60 12.969 9.277 2.203 1.00 0.00 O ATOM 913 OE2 GLU A 60 12.897 11.361 2.897 1.00 0.00 O ATOM 0 H GLU A 60 9.317 8.205 6.000 1.00 0.00 H new ATOM 0 HA GLU A 60 10.326 10.682 5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.331 8.204 5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.133 8.260 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.541 10.509 5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.392 9.017 4.841 1.00 0.00 H new ATOM 920 N ASN A 61 9.949 11.299 2.923 1.00 0.00 N ATOM 921 CA ASN A 61 9.504 11.786 1.623 1.00 0.00 C ATOM 922 C ASN A 61 9.990 10.870 0.504 1.00 0.00 C ATOM 923 O ASN A 61 11.189 10.709 0.276 1.00 0.00 O ATOM 924 CB ASN A 61 10.011 13.210 1.387 1.00 0.00 C ATOM 925 CG ASN A 61 9.871 13.642 -0.060 1.00 0.00 C ATOM 926 OD1 ASN A 61 8.905 14.310 -0.429 1.00 0.00 O ATOM 927 ND2 ASN A 61 10.837 13.260 -0.887 1.00 0.00 N ATOM 0 H ASN A 61 10.633 11.898 3.386 1.00 0.00 H new ATOM 0 HA ASN A 61 8.414 11.790 1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.458 13.900 2.024 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.058 13.273 1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.797 13.520 -1.873 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.619 12.707 -0.537 1.00 0.00 H new ATOM 934 N PRO A 62 9.038 10.254 -0.212 1.00 0.00 N ATOM 935 CA PRO A 62 9.344 9.344 -1.320 1.00 0.00 C ATOM 936 C PRO A 62 9.918 10.076 -2.529 1.00 0.00 C ATOM 937 O PRO A 62 9.508 11.193 -2.843 1.00 0.00 O ATOM 938 CB PRO A 62 7.984 8.731 -1.662 1.00 0.00 C ATOM 939 CG PRO A 62 6.988 9.741 -1.208 1.00 0.00 C ATOM 940 CD PRO A 62 7.588 10.399 0.004 1.00 0.00 C ATOM 0 HA PRO A 62 10.101 8.609 -1.047 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.894 8.539 -2.731 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.841 7.777 -1.154 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.790 10.473 -1.991 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.036 9.269 -0.965 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.296 11.446 0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.268 9.912 0.925 1.00 0.00 H new ATOM 948 N SER A 63 10.868 9.438 -3.205 1.00 0.00 N ATOM 949 CA SER A 63 11.500 10.029 -4.378 1.00 0.00 C ATOM 950 C SER A 63 12.158 8.956 -5.240 1.00 0.00 C ATOM 951 O SER A 63 12.506 7.873 -4.770 1.00 0.00 O ATOM 952 CB SER A 63 12.541 11.068 -3.954 1.00 0.00 C ATOM 953 OG SER A 63 11.949 12.345 -3.789 1.00 0.00 O ATOM 0 H SER A 63 11.217 8.511 -2.960 1.00 0.00 H new ATOM 0 HA SER A 63 10.726 10.520 -4.968 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.010 10.758 -3.020 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.330 11.124 -4.704 1.00 0.00 H new ATOM 0 HG SER A 63 11.035 12.241 -3.450 1.00 0.00 H new ATOM 959 N PRO A 64 12.333 9.263 -6.534 1.00 0.00 N ATOM 960 CA PRO A 64 12.951 8.339 -7.491 1.00 0.00 C ATOM 961 C PRO A 64 14.441 8.149 -7.233 1.00 0.00 C ATOM 962 O PRO A 64 15.114 7.407 -7.948 1.00 0.00 O ATOM 963 CB PRO A 64 12.725 9.024 -8.841 1.00 0.00 C ATOM 964 CG PRO A 64 12.597 10.472 -8.516 1.00 0.00 C ATOM 965 CD PRO A 64 11.942 10.536 -7.164 1.00 0.00 C ATOM 0 HA PRO A 64 12.522 7.339 -7.428 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.558 8.843 -9.521 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.827 8.647 -9.330 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.573 10.956 -8.500 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.997 10.989 -9.265 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.292 11.393 -6.588 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.859 10.628 -7.246 1.00 0.00 H new ATOM 973 N GLU A 65 14.951 8.824 -6.207 1.00 0.00 N ATOM 974 CA GLU A 65 16.363 8.728 -5.856 1.00 0.00 C ATOM 975 C GLU A 65 16.607 7.568 -4.895 1.00 0.00 C ATOM 976 O GLU A 65 17.608 6.861 -5.000 1.00 0.00 O ATOM 977 CB GLU A 65 16.845 10.037 -5.227 1.00 0.00 C ATOM 978 CG GLU A 65 17.139 11.129 -6.242 1.00 0.00 C ATOM 979 CD GLU A 65 18.056 12.204 -5.693 1.00 0.00 C ATOM 980 OE1 GLU A 65 17.995 12.472 -4.475 1.00 0.00 O ATOM 981 OE2 GLU A 65 18.835 12.778 -6.483 1.00 0.00 O ATOM 0 H GLU A 65 14.408 9.443 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 65 16.927 8.544 -6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.088 10.395 -4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.746 9.841 -4.646 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.595 10.684 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.202 11.585 -6.562 1.00 0.00 H new ATOM 988 N ASN A 66 15.685 7.381 -3.957 1.00 0.00 N ATOM 989 CA ASN A 66 15.800 6.308 -2.976 1.00 0.00 C ATOM 990 C ASN A 66 15.330 4.980 -3.563 1.00 0.00 C ATOM 991 O ASN A 66 14.140 4.787 -3.814 1.00 0.00 O ATOM 992 CB ASN A 66 14.983 6.642 -1.726 1.00 0.00 C ATOM 993 CG ASN A 66 15.418 5.835 -0.518 1.00 0.00 C ATOM 994 OD1 ASN A 66 15.880 4.701 -0.648 1.00 0.00 O ATOM 995 ND2 ASN A 66 15.272 6.417 0.667 1.00 0.00 N ATOM 0 H ASN A 66 14.850 7.958 -3.855 1.00 0.00 H new ATOM 0 HA ASN A 66 16.851 6.212 -2.702 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.081 7.705 -1.504 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.928 6.454 -1.924 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.547 5.922 1.515 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.885 7.359 0.728 1.00 0.00 H new ATOM 1002 N ARG A 67 16.273 4.069 -3.779 1.00 0.00 N ATOM 1003 CA ARG A 67 15.956 2.760 -4.338 1.00 0.00 C ATOM 1004 C ARG A 67 15.205 1.903 -3.323 1.00 0.00 C ATOM 1005 O ARG A 67 14.025 1.598 -3.503 1.00 0.00 O ATOM 1006 CB ARG A 67 17.236 2.046 -4.776 1.00 0.00 C ATOM 1007 CG ARG A 67 17.813 2.574 -6.079 1.00 0.00 C ATOM 1008 CD ARG A 67 17.182 1.894 -7.284 1.00 0.00 C ATOM 1009 NE ARG A 67 18.104 1.817 -8.414 1.00 0.00 N ATOM 1010 CZ ARG A 67 17.713 1.636 -9.670 1.00 0.00 C ATOM 1011 NH1 ARG A 67 16.424 1.515 -9.956 1.00 0.00 N ATOM 1012 NH2 ARG A 67 18.613 1.577 -10.644 1.00 0.00 N ATOM 0 H ARG A 67 17.262 4.213 -3.576 1.00 0.00 H new ATOM 0 HA ARG A 67 15.315 2.909 -5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 67 17.985 2.146 -3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 67 17.029 0.981 -4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.650 3.650 -6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 67 18.891 2.413 -6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.863 0.889 -7.007 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.288 2.442 -7.582 1.00 0.00 H new ATOM 0 HE ARG A 67 19.103 1.907 -8.228 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.730 1.561 -9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.127 1.376 -10.922 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.605 1.671 -10.428 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.312 1.438 -11.609 1.00 0.00 H new ATOM 1026 N THR A 68 15.896 1.517 -2.255 1.00 0.00 N ATOM 1027 CA THR A 68 15.295 0.695 -1.212 1.00 0.00 C ATOM 1028 C THR A 68 13.906 1.202 -0.843 1.00 0.00 C ATOM 1029 O THR A 68 13.030 0.424 -0.463 1.00 0.00 O ATOM 1030 CB THR A 68 16.172 0.666 0.055 1.00 0.00 C ATOM 1031 OG1 THR A 68 17.513 0.297 -0.286 1.00 0.00 O ATOM 1032 CG2 THR A 68 15.614 -0.315 1.075 1.00 0.00 C ATOM 0 H THR A 68 16.873 1.761 -2.090 1.00 0.00 H new ATOM 0 HA THR A 68 15.215 -0.315 -1.613 1.00 0.00 H new ATOM 0 HB THR A 68 16.171 1.663 0.495 1.00 0.00 H new ATOM 0 HG1 THR A 68 18.064 0.283 0.524 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.249 -0.319 1.961 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.604 -0.015 1.354 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.589 -1.315 0.642 1.00 0.00 H new ATOM 1040 N LEU A 69 13.709 2.511 -0.959 1.00 0.00 N ATOM 1041 CA LEU A 69 12.424 3.123 -0.638 1.00 0.00 C ATOM 1042 C LEU A 69 11.509 3.139 -1.859 1.00 0.00 C ATOM 1043 O LEU A 69 10.489 2.452 -1.890 1.00 0.00 O ATOM 1044 CB LEU A 69 12.630 4.548 -0.122 1.00 0.00 C ATOM 1045 CG LEU A 69 11.598 5.052 0.888 1.00 0.00 C ATOM 1046 CD1 LEU A 69 11.464 4.075 2.046 1.00 0.00 C ATOM 1047 CD2 LEU A 69 11.980 6.434 1.396 1.00 0.00 C ATOM 0 H LEU A 69 14.423 3.169 -1.273 1.00 0.00 H new ATOM 0 HA LEU A 69 11.950 2.526 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.617 4.608 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.634 5.225 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 69 10.633 5.125 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.726 4.450 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.144 3.104 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.427 3.970 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.235 6.777 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.955 6.387 1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.024 7.130 0.558 1.00 0.00 H new ATOM 1059 N TRP A 70 11.883 3.926 -2.861 1.00 0.00 N ATOM 1060 CA TRP A 70 11.097 4.030 -4.085 1.00 0.00 C ATOM 1061 C TRP A 70 10.668 2.651 -4.575 1.00 0.00 C ATOM 1062 O TRP A 70 9.496 2.426 -4.873 1.00 0.00 O ATOM 1063 CB TRP A 70 11.901 4.744 -5.173 1.00 0.00 C ATOM 1064 CG TRP A 70 11.081 5.113 -6.372 1.00 0.00 C ATOM 1065 CD1 TRP A 70 10.983 4.417 -7.543 1.00 0.00 C ATOM 1066 CD2 TRP A 70 10.245 6.266 -6.517 1.00 0.00 C ATOM 1067 NE1 TRP A 70 10.137 5.069 -8.408 1.00 0.00 N ATOM 1068 CE2 TRP A 70 9.671 6.205 -7.802 1.00 0.00 C ATOM 1069 CE3 TRP A 70 9.924 7.343 -5.686 1.00 0.00 C ATOM 1070 CZ2 TRP A 70 8.796 7.181 -8.273 1.00 0.00 C ATOM 1071 CZ3 TRP A 70 9.056 8.310 -6.155 1.00 0.00 C ATOM 1072 CH2 TRP A 70 8.499 8.224 -7.439 1.00 0.00 C ATOM 0 H TRP A 70 12.725 4.501 -2.850 1.00 0.00 H new ATOM 0 HA TRP A 70 10.202 4.611 -3.864 1.00 0.00 H new ATOM 0 HB2 TRP A 70 12.345 5.647 -4.753 1.00 0.00 H new ATOM 0 HB3 TRP A 70 12.723 4.101 -5.488 1.00 0.00 H new ATOM 0 HD1 TRP A 70 11.495 3.491 -7.758 1.00 0.00 H new ATOM 0 HE1 TRP A 70 9.895 4.757 -9.349 1.00 0.00 H new ATOM 0 HE3 TRP A 70 10.347 7.418 -4.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 8.367 7.117 -9.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 8.802 9.147 -5.522 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.823 8.996 -7.776 1.00 0.00 H new ATOM 1083 N GLU A 71 11.626 1.732 -4.656 1.00 0.00 N ATOM 1084 CA GLU A 71 11.345 0.376 -5.112 1.00 0.00 C ATOM 1085 C GLU A 71 10.126 -0.197 -4.394 1.00 0.00 C ATOM 1086 O GLU A 71 9.078 -0.408 -5.002 1.00 0.00 O ATOM 1087 CB GLU A 71 12.559 -0.526 -4.878 1.00 0.00 C ATOM 1088 CG GLU A 71 13.716 -0.246 -5.822 1.00 0.00 C ATOM 1089 CD GLU A 71 14.544 -1.483 -6.113 1.00 0.00 C ATOM 1090 OE1 GLU A 71 14.155 -2.260 -7.010 1.00 0.00 O ATOM 1091 OE2 GLU A 71 15.581 -1.674 -5.444 1.00 0.00 O ATOM 0 H GLU A 71 12.602 1.902 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 71 11.131 0.416 -6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.901 -0.401 -3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.255 -1.567 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.327 0.155 -6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.357 0.522 -5.388 1.00 0.00 H new ATOM 1098 N ASN A 72 10.274 -0.448 -3.098 1.00 0.00 N ATOM 1099 CA ASN A 72 9.186 -0.998 -2.297 1.00 0.00 C ATOM 1100 C ASN A 72 7.918 -0.165 -2.457 1.00 0.00 C ATOM 1101 O ASN A 72 6.861 -0.685 -2.817 1.00 0.00 O ATOM 1102 CB ASN A 72 9.589 -1.056 -0.822 1.00 0.00 C ATOM 1103 CG ASN A 72 10.761 -1.987 -0.579 1.00 0.00 C ATOM 1104 OD1 ASN A 72 10.848 -3.061 -1.174 1.00 0.00 O ATOM 1105 ND2 ASN A 72 11.670 -1.577 0.298 1.00 0.00 N ATOM 0 H ASN A 72 11.136 -0.280 -2.580 1.00 0.00 H new ATOM 0 HA ASN A 72 8.983 -2.009 -2.651 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.847 -0.054 -0.479 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.737 -1.386 -0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.481 -2.160 0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.557 -0.679 0.768 1.00 0.00 H new ATOM 1112 N LEU A 73 8.030 1.131 -2.188 1.00 0.00 N ATOM 1113 CA LEU A 73 6.893 2.038 -2.302 1.00 0.00 C ATOM 1114 C LEU A 73 6.257 1.942 -3.685 1.00 0.00 C ATOM 1115 O LEU A 73 5.107 2.337 -3.879 1.00 0.00 O ATOM 1116 CB LEU A 73 7.334 3.477 -2.030 1.00 0.00 C ATOM 1117 CG LEU A 73 7.535 3.850 -0.561 1.00 0.00 C ATOM 1118 CD1 LEU A 73 7.725 5.352 -0.413 1.00 0.00 C ATOM 1119 CD2 LEU A 73 6.358 3.375 0.277 1.00 0.00 C ATOM 0 H LEU A 73 8.897 1.578 -1.889 1.00 0.00 H new ATOM 0 HA LEU A 73 6.151 1.746 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.269 3.656 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.591 4.151 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 73 8.435 3.353 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.867 5.599 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.601 5.666 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.843 5.869 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.519 3.650 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.442 3.843 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.268 2.292 0.197 1.00 0.00 H new ATOM 1131 N CYS A 74 7.012 1.414 -4.642 1.00 0.00 N ATOM 1132 CA CYS A 74 6.522 1.264 -6.008 1.00 0.00 C ATOM 1133 C CYS A 74 5.491 0.143 -6.096 1.00 0.00 C ATOM 1134 O CYS A 74 4.391 0.335 -6.614 1.00 0.00 O ATOM 1135 CB CYS A 74 7.684 0.981 -6.961 1.00 0.00 C ATOM 1136 SG CYS A 74 7.329 1.365 -8.692 1.00 0.00 S ATOM 0 H CYS A 74 7.966 1.083 -4.497 1.00 0.00 H new ATOM 0 HA CYS A 74 6.042 2.198 -6.300 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.551 1.560 -6.642 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.957 -0.071 -6.882 1.00 0.00 H new ATOM 0 HG CYS A 74 8.372 1.095 -9.419 1.00 0.00 H new ATOM 1142 N THR A 75 5.856 -1.030 -5.588 1.00 0.00 N ATOM 1143 CA THR A 75 4.965 -2.184 -5.611 1.00 0.00 C ATOM 1144 C THR A 75 3.700 -1.917 -4.805 1.00 0.00 C ATOM 1145 O THR A 75 2.593 -2.221 -5.251 1.00 0.00 O ATOM 1146 CB THR A 75 5.660 -3.441 -5.056 1.00 0.00 C ATOM 1147 OG1 THR A 75 5.115 -4.614 -5.671 1.00 0.00 O ATOM 1148 CG2 THR A 75 5.492 -3.529 -3.546 1.00 0.00 C ATOM 0 H THR A 75 6.763 -1.206 -5.155 1.00 0.00 H new ATOM 0 HA THR A 75 4.698 -2.357 -6.653 1.00 0.00 H new ATOM 0 HB THR A 75 6.724 -3.373 -5.284 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.563 -5.409 -5.314 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.991 -4.425 -3.176 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.933 -2.649 -3.079 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.431 -3.577 -3.300 1.00 0.00 H new ATOM 1156 N ILE A 76 3.870 -1.348 -3.616 1.00 0.00 N ATOM 1157 CA ILE A 76 2.740 -1.040 -2.748 1.00 0.00 C ATOM 1158 C ILE A 76 1.764 -0.090 -3.434 1.00 0.00 C ATOM 1159 O ILE A 76 0.554 -0.166 -3.221 1.00 0.00 O ATOM 1160 CB ILE A 76 3.205 -0.412 -1.421 1.00 0.00 C ATOM 1161 CG1 ILE A 76 4.282 -1.281 -0.770 1.00 0.00 C ATOM 1162 CG2 ILE A 76 2.024 -0.229 -0.480 1.00 0.00 C ATOM 1163 CD1 ILE A 76 4.683 -0.813 0.611 1.00 0.00 C ATOM 0 H ILE A 76 4.779 -1.091 -3.232 1.00 0.00 H new ATOM 0 HA ILE A 76 2.237 -1.983 -2.537 1.00 0.00 H new ATOM 0 HB ILE A 76 3.634 0.568 -1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.920 -2.307 -0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.164 -1.293 -1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.368 0.216 0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.287 0.426 -0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.569 -1.198 -0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.450 -1.476 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.076 0.202 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.813 -0.827 1.267 1.00 0.00 H new ATOM 1175 N ARG A 77 2.299 0.805 -4.259 1.00 0.00 N ATOM 1176 CA ARG A 77 1.475 1.770 -4.976 1.00 0.00 C ATOM 1177 C ARG A 77 0.538 1.066 -5.953 1.00 0.00 C ATOM 1178 O ARG A 77 -0.628 1.436 -6.087 1.00 0.00 O ATOM 1179 CB ARG A 77 2.358 2.767 -5.729 1.00 0.00 C ATOM 1180 CG ARG A 77 1.589 3.656 -6.693 1.00 0.00 C ATOM 1181 CD ARG A 77 0.401 4.317 -6.013 1.00 0.00 C ATOM 1182 NE ARG A 77 -0.378 5.132 -6.942 1.00 0.00 N ATOM 1183 CZ ARG A 77 0.005 6.332 -7.365 1.00 0.00 C ATOM 1184 NH1 ARG A 77 1.149 6.853 -6.945 1.00 0.00 N ATOM 1185 NH2 ARG A 77 -0.758 7.012 -8.211 1.00 0.00 N ATOM 0 H ARG A 77 3.299 0.881 -4.447 1.00 0.00 H new ATOM 0 HA ARG A 77 0.872 2.308 -4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.880 3.395 -5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.120 2.218 -6.283 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.254 4.422 -7.092 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.242 3.063 -7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.240 3.550 -5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.754 4.941 -5.192 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.264 4.760 -7.284 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.738 6.333 -6.295 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.440 7.774 -7.272 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.639 6.614 -8.537 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.464 7.933 -8.536 1.00 0.00 H new ATOM 1199 N ARG A 78 1.058 0.050 -6.635 1.00 0.00 N ATOM 1200 CA ARG A 78 0.269 -0.705 -7.601 1.00 0.00 C ATOM 1201 C ARG A 78 -0.837 -1.492 -6.903 1.00 0.00 C ATOM 1202 O ARG A 78 -1.925 -1.673 -7.451 1.00 0.00 O ATOM 1203 CB ARG A 78 1.167 -1.658 -8.391 1.00 0.00 C ATOM 1204 CG ARG A 78 1.855 -1.004 -9.578 1.00 0.00 C ATOM 1205 CD ARG A 78 3.172 -1.690 -9.906 1.00 0.00 C ATOM 1206 NE ARG A 78 3.759 -1.184 -11.144 1.00 0.00 N ATOM 1207 CZ ARG A 78 4.751 -1.788 -11.788 1.00 0.00 C ATOM 1208 NH1 ARG A 78 5.264 -2.915 -11.314 1.00 0.00 N ATOM 1209 NH2 ARG A 78 5.231 -1.266 -12.909 1.00 0.00 N ATOM 0 H ARG A 78 2.022 -0.269 -6.536 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.192 0.004 -8.289 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.925 -2.067 -7.723 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.569 -2.497 -8.746 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.198 -1.041 -10.447 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.036 0.049 -9.360 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.873 -1.541 -9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.009 -2.764 -9.995 1.00 0.00 H new ATOM 0 HE ARG A 78 3.386 -0.319 -11.536 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.897 -3.320 -10.453 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.026 -3.377 -11.810 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.838 -0.400 -13.277 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.993 -1.731 -13.403 1.00 0.00 H new ATOM 1223 N PHE A 79 -0.551 -1.958 -5.692 1.00 0.00 N ATOM 1224 CA PHE A 79 -1.520 -2.727 -4.920 1.00 0.00 C ATOM 1225 C PHE A 79 -2.784 -1.911 -4.667 1.00 0.00 C ATOM 1226 O PHE A 79 -3.899 -2.388 -4.885 1.00 0.00 O ATOM 1227 CB PHE A 79 -0.908 -3.168 -3.588 1.00 0.00 C ATOM 1228 CG PHE A 79 -1.675 -4.268 -2.912 1.00 0.00 C ATOM 1229 CD1 PHE A 79 -2.972 -4.057 -2.472 1.00 0.00 C ATOM 1230 CD2 PHE A 79 -1.099 -5.513 -2.716 1.00 0.00 C ATOM 1231 CE1 PHE A 79 -3.679 -5.068 -1.848 1.00 0.00 C ATOM 1232 CE2 PHE A 79 -1.802 -6.527 -2.093 1.00 0.00 C ATOM 1233 CZ PHE A 79 -3.094 -6.305 -1.660 1.00 0.00 C ATOM 0 H PHE A 79 0.344 -1.817 -5.224 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.789 -3.611 -5.498 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.115 -3.502 -3.760 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.855 -2.309 -2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.435 -3.093 -2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.089 -5.693 -3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.688 -4.891 -1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.341 -7.492 -1.945 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.646 -7.097 -1.175 1.00 0.00 H new ATOM 1243 N LEU A 80 -2.603 -0.679 -4.204 1.00 0.00 N ATOM 1244 CA LEU A 80 -3.728 0.205 -3.920 1.00 0.00 C ATOM 1245 C LEU A 80 -4.531 0.488 -5.186 1.00 0.00 C ATOM 1246 O LEU A 80 -5.746 0.676 -5.133 1.00 0.00 O ATOM 1247 CB LEU A 80 -3.230 1.518 -3.314 1.00 0.00 C ATOM 1248 CG LEU A 80 -2.257 1.390 -2.142 1.00 0.00 C ATOM 1249 CD1 LEU A 80 -1.674 2.748 -1.781 1.00 0.00 C ATOM 1250 CD2 LEU A 80 -2.950 0.769 -0.939 1.00 0.00 C ATOM 0 H LEU A 80 -1.688 -0.270 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.379 -0.295 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.746 2.097 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.095 2.092 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.440 0.735 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.984 2.637 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.141 3.155 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.479 3.426 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.242 0.686 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.787 1.398 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.318 -0.222 -1.203 1.00 0.00 H new ATOM 1262 N ASN A 81 -3.844 0.515 -6.323 1.00 0.00 N ATOM 1263 CA ASN A 81 -4.494 0.773 -7.603 1.00 0.00 C ATOM 1264 C ASN A 81 -5.517 -0.313 -7.922 1.00 0.00 C ATOM 1265 O ASN A 81 -6.322 -0.170 -8.843 1.00 0.00 O ATOM 1266 CB ASN A 81 -3.452 0.852 -8.721 1.00 0.00 C ATOM 1267 CG ASN A 81 -2.930 2.261 -8.926 1.00 0.00 C ATOM 1268 OD1 ASN A 81 -3.683 3.169 -9.279 1.00 0.00 O ATOM 1269 ND2 ASN A 81 -1.634 2.450 -8.705 1.00 0.00 N ATOM 0 H ASN A 81 -2.837 0.361 -6.384 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.014 1.728 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.619 0.190 -8.485 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.892 0.492 -9.651 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.226 3.377 -8.827 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.047 1.668 -8.414 1.00 0.00 H new ATOM 1276 N LEU A 82 -5.480 -1.397 -7.155 1.00 0.00 N ATOM 1277 CA LEU A 82 -6.404 -2.507 -7.356 1.00 0.00 C ATOM 1278 C LEU A 82 -7.777 -2.184 -6.776 1.00 0.00 C ATOM 1279 O LEU A 82 -7.913 -1.400 -5.836 1.00 0.00 O ATOM 1280 CB LEU A 82 -5.852 -3.779 -6.709 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.551 -4.323 -7.302 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -4.005 -5.453 -6.444 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -4.774 -4.796 -8.732 1.00 0.00 C ATOM 0 H LEU A 82 -4.820 -1.531 -6.389 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.511 -2.669 -8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.691 -3.583 -5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.612 -4.557 -6.777 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.816 -3.518 -7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.079 -5.827 -6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.807 -5.083 -5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.736 -6.260 -6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.838 -5.180 -9.138 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.525 -5.586 -8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.119 -3.961 -9.342 1.00 0.00 H new ATOM 1295 N PRO A 83 -8.822 -2.803 -7.346 1.00 0.00 N ATOM 1296 CA PRO A 83 -10.203 -2.599 -6.900 1.00 0.00 C ATOM 1297 C PRO A 83 -10.465 -3.210 -5.527 1.00 0.00 C ATOM 1298 O PRO A 83 -9.854 -4.212 -5.157 1.00 0.00 O ATOM 1299 CB PRO A 83 -11.031 -3.315 -7.970 1.00 0.00 C ATOM 1300 CG PRO A 83 -10.113 -4.346 -8.532 1.00 0.00 C ATOM 1301 CD PRO A 83 -8.734 -3.751 -8.470 1.00 0.00 C ATOM 0 HA PRO A 83 -10.444 -1.542 -6.792 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.923 -3.771 -7.541 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.367 -2.621 -8.741 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.165 -5.270 -7.957 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.385 -4.593 -9.558 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.975 -4.513 -8.294 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.471 -3.248 -9.401 1.00 0.00 H new ATOM 1309 N GLN A 84 -11.377 -2.599 -4.778 1.00 0.00 N ATOM 1310 CA GLN A 84 -11.719 -3.083 -3.446 1.00 0.00 C ATOM 1311 C GLN A 84 -11.975 -4.587 -3.462 1.00 0.00 C ATOM 1312 O GLN A 84 -11.520 -5.315 -2.579 1.00 0.00 O ATOM 1313 CB GLN A 84 -12.952 -2.350 -2.914 1.00 0.00 C ATOM 1314 CG GLN A 84 -13.356 -2.776 -1.512 1.00 0.00 C ATOM 1315 CD GLN A 84 -14.217 -1.743 -0.813 1.00 0.00 C ATOM 1316 OE1 GLN A 84 -15.293 -1.386 -1.295 1.00 0.00 O ATOM 1317 NE2 GLN A 84 -13.748 -1.256 0.330 1.00 0.00 N ATOM 0 H GLN A 84 -11.892 -1.769 -5.071 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.874 -2.883 -2.787 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.756 -1.278 -2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.788 -2.523 -3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.899 -3.720 -1.566 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -12.460 -2.957 -0.919 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.852 -1.580 0.693 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -14.284 -0.558 0.845 1.00 0.00 H new ATOM 1326 N HIS A 85 -12.708 -5.046 -4.472 1.00 0.00 N ATOM 1327 CA HIS A 85 -13.025 -6.464 -4.603 1.00 0.00 C ATOM 1328 C HIS A 85 -11.752 -7.296 -4.723 1.00 0.00 C ATOM 1329 O HIS A 85 -11.733 -8.473 -4.364 1.00 0.00 O ATOM 1330 CB HIS A 85 -13.917 -6.698 -5.823 1.00 0.00 C ATOM 1331 CG HIS A 85 -13.152 -6.973 -7.081 1.00 0.00 C ATOM 1332 ND1 HIS A 85 -12.902 -6.010 -8.036 1.00 0.00 N ATOM 1333 CD2 HIS A 85 -12.579 -8.111 -7.538 1.00 0.00 C ATOM 1334 CE1 HIS A 85 -12.210 -6.544 -9.026 1.00 0.00 C ATOM 1335 NE2 HIS A 85 -12.000 -7.818 -8.748 1.00 0.00 N ATOM 0 H HIS A 85 -13.093 -4.457 -5.211 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.559 -6.776 -3.706 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.582 -7.538 -5.621 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.547 -5.822 -5.975 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.578 -9.071 -7.043 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -11.873 -6.027 -9.912 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -11.490 -8.477 -9.337 1.00 0.00 H new ATOM 1344 N GLU A 86 -10.690 -6.677 -5.229 1.00 0.00 N ATOM 1345 CA GLU A 86 -9.414 -7.362 -5.397 1.00 0.00 C ATOM 1346 C GLU A 86 -8.632 -7.384 -4.087 1.00 0.00 C ATOM 1347 O GLU A 86 -8.426 -8.442 -3.492 1.00 0.00 O ATOM 1348 CB GLU A 86 -8.584 -6.682 -6.488 1.00 0.00 C ATOM 1349 CG GLU A 86 -8.827 -7.246 -7.878 1.00 0.00 C ATOM 1350 CD GLU A 86 -7.953 -8.447 -8.181 1.00 0.00 C ATOM 1351 OE1 GLU A 86 -6.798 -8.476 -7.708 1.00 0.00 O ATOM 1352 OE2 GLU A 86 -8.426 -9.360 -8.891 1.00 0.00 O ATOM 0 H GLU A 86 -10.688 -5.702 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.619 -8.390 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.810 -5.616 -6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.526 -6.783 -6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.875 -7.531 -7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.640 -6.469 -8.619 1.00 0.00 H new ATOM 1359 N ARG A 87 -8.198 -6.208 -3.644 1.00 0.00 N ATOM 1360 CA ARG A 87 -7.437 -6.091 -2.406 1.00 0.00 C ATOM 1361 C ARG A 87 -8.013 -7.003 -1.326 1.00 0.00 C ATOM 1362 O ARG A 87 -7.272 -7.671 -0.604 1.00 0.00 O ATOM 1363 CB ARG A 87 -7.437 -4.642 -1.917 1.00 0.00 C ATOM 1364 CG ARG A 87 -7.261 -3.623 -3.031 1.00 0.00 C ATOM 1365 CD ARG A 87 -6.747 -2.296 -2.496 1.00 0.00 C ATOM 1366 NE ARG A 87 -7.217 -1.166 -3.293 1.00 0.00 N ATOM 1367 CZ ARG A 87 -8.392 -0.574 -3.106 1.00 0.00 C ATOM 1368 NH1 ARG A 87 -9.210 -1.001 -2.155 1.00 0.00 N ATOM 1369 NH2 ARG A 87 -8.749 0.450 -3.872 1.00 0.00 N ATOM 0 H ARG A 87 -8.361 -5.323 -4.124 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.411 -6.399 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.375 -4.442 -1.399 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.636 -4.513 -1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.564 -4.011 -3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.214 -3.468 -3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.072 -2.171 -1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.657 -2.306 -2.488 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.611 -0.812 -4.033 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.939 -1.786 -1.564 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.111 -0.544 -2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.121 0.782 -4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.651 0.904 -3.728 1.00 0.00 H new ATOM 1383 N ASP A 88 -9.337 -7.025 -1.221 1.00 0.00 N ATOM 1384 CA ASP A 88 -10.012 -7.855 -0.231 1.00 0.00 C ATOM 1385 C ASP A 88 -9.676 -9.329 -0.436 1.00 0.00 C ATOM 1386 O ASP A 88 -9.424 -10.059 0.523 1.00 0.00 O ATOM 1387 CB ASP A 88 -11.526 -7.649 -0.308 1.00 0.00 C ATOM 1388 CG ASP A 88 -12.211 -7.892 1.023 1.00 0.00 C ATOM 1389 OD1 ASP A 88 -12.489 -9.067 1.342 1.00 0.00 O ATOM 1390 OD2 ASP A 88 -12.470 -6.906 1.745 1.00 0.00 O ATOM 0 H ASP A 88 -9.964 -6.477 -1.810 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.662 -7.555 0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.735 -6.632 -0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.944 -8.322 -1.057 1.00 0.00 H new ATOM 1395 N VAL A 89 -9.674 -9.761 -1.693 1.00 0.00 N ATOM 1396 CA VAL A 89 -9.369 -11.147 -2.025 1.00 0.00 C ATOM 1397 C VAL A 89 -7.949 -11.513 -1.607 1.00 0.00 C ATOM 1398 O VAL A 89 -7.719 -12.564 -1.009 1.00 0.00 O ATOM 1399 CB VAL A 89 -9.533 -11.412 -3.533 1.00 0.00 C ATOM 1400 CG1 VAL A 89 -9.243 -12.871 -3.854 1.00 0.00 C ATOM 1401 CG2 VAL A 89 -10.930 -11.024 -3.994 1.00 0.00 C ATOM 0 H VAL A 89 -9.880 -9.170 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.077 -11.767 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.813 -10.796 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.364 -13.039 -4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.221 -13.111 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.936 -13.509 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.028 -11.218 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.669 -11.611 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.095 -9.964 -3.801 1.00 0.00 H new ATOM 1411 N ILE A 90 -7.001 -10.638 -1.926 1.00 0.00 N ATOM 1412 CA ILE A 90 -5.603 -10.868 -1.583 1.00 0.00 C ATOM 1413 C ILE A 90 -5.438 -11.111 -0.086 1.00 0.00 C ATOM 1414 O ILE A 90 -4.789 -12.071 0.330 1.00 0.00 O ATOM 1415 CB ILE A 90 -4.718 -9.679 -1.999 1.00 0.00 C ATOM 1416 CG1 ILE A 90 -4.806 -9.454 -3.510 1.00 0.00 C ATOM 1417 CG2 ILE A 90 -3.276 -9.918 -1.577 1.00 0.00 C ATOM 1418 CD1 ILE A 90 -4.489 -8.036 -3.930 1.00 0.00 C ATOM 0 H ILE A 90 -7.176 -9.764 -2.421 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.285 -11.755 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.079 -8.783 -1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.118 -10.135 -4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.810 -9.709 -3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.663 -9.068 -1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.228 -10.034 -0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.902 -10.823 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.571 -7.950 -5.014 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.193 -7.351 -3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.474 -7.784 -3.622 1.00 0.00 H new ATOM 1430 N TYR A 91 -6.030 -10.235 0.718 1.00 0.00 N ATOM 1431 CA TYR A 91 -5.949 -10.353 2.169 1.00 0.00 C ATOM 1432 C TYR A 91 -6.637 -11.627 2.652 1.00 0.00 C ATOM 1433 O TYR A 91 -6.119 -12.336 3.514 1.00 0.00 O ATOM 1434 CB TYR A 91 -6.583 -9.133 2.838 1.00 0.00 C ATOM 1435 CG TYR A 91 -5.980 -7.819 2.397 1.00 0.00 C ATOM 1436 CD1 TYR A 91 -4.625 -7.562 2.565 1.00 0.00 C ATOM 1437 CD2 TYR A 91 -6.766 -6.834 1.810 1.00 0.00 C ATOM 1438 CE1 TYR A 91 -4.070 -6.362 2.164 1.00 0.00 C ATOM 1439 CE2 TYR A 91 -6.219 -5.631 1.405 1.00 0.00 C ATOM 1440 CZ TYR A 91 -4.871 -5.400 1.584 1.00 0.00 C ATOM 1441 OH TYR A 91 -4.322 -4.204 1.182 1.00 0.00 O ATOM 0 H TYR A 91 -6.571 -9.435 0.389 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.896 -10.403 2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -7.651 -9.124 2.621 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.478 -9.227 3.919 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.995 -8.313 3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.822 -7.012 1.668 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.015 -6.178 2.304 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.844 -4.876 0.951 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.050 -4.268 0.243 1.00 0.00 H new ATOM 1451 N GLU A 92 -7.807 -11.910 2.087 1.00 0.00 N ATOM 1452 CA GLU A 92 -8.566 -13.098 2.459 1.00 0.00 C ATOM 1453 C GLU A 92 -7.761 -14.365 2.187 1.00 0.00 C ATOM 1454 O GLU A 92 -7.486 -15.145 3.099 1.00 0.00 O ATOM 1455 CB GLU A 92 -9.889 -13.146 1.692 1.00 0.00 C ATOM 1456 CG GLU A 92 -10.942 -12.195 2.235 1.00 0.00 C ATOM 1457 CD GLU A 92 -12.355 -12.700 2.012 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -12.541 -13.573 1.138 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -13.273 -12.224 2.711 1.00 0.00 O ATOM 0 H GLU A 92 -8.249 -11.333 1.371 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.776 -13.044 3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.701 -12.907 0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.280 -14.163 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.777 -12.047 3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.828 -11.222 1.757 1.00 0.00 H new ATOM 1466 N GLU A 93 -7.388 -14.563 0.927 1.00 0.00 N ATOM 1467 CA GLU A 93 -6.616 -15.737 0.535 1.00 0.00 C ATOM 1468 C GLU A 93 -5.353 -15.865 1.381 1.00 0.00 C ATOM 1469 O GLU A 93 -4.976 -16.963 1.789 1.00 0.00 O ATOM 1470 CB GLU A 93 -6.245 -15.659 -0.947 1.00 0.00 C ATOM 1471 CG GLU A 93 -7.437 -15.784 -1.881 1.00 0.00 C ATOM 1472 CD GLU A 93 -7.732 -17.222 -2.261 1.00 0.00 C ATOM 1473 OE1 GLU A 93 -6.840 -17.879 -2.836 1.00 0.00 O ATOM 1474 OE2 GLU A 93 -8.856 -17.689 -1.983 1.00 0.00 O ATOM 0 H GLU A 93 -7.607 -13.927 0.161 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.234 -16.619 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.743 -14.710 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.530 -16.450 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.316 -15.351 -1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.248 -15.205 -2.785 1.00 0.00 H new ATOM 1481 N GLU A 94 -4.704 -14.734 1.640 1.00 0.00 N ATOM 1482 CA GLU A 94 -3.482 -14.720 2.436 1.00 0.00 C ATOM 1483 C GLU A 94 -3.770 -15.119 3.881 1.00 0.00 C ATOM 1484 O GLU A 94 -3.388 -16.201 4.325 1.00 0.00 O ATOM 1485 CB GLU A 94 -2.837 -13.333 2.397 1.00 0.00 C ATOM 1486 CG GLU A 94 -1.582 -13.222 3.246 1.00 0.00 C ATOM 1487 CD GLU A 94 -0.507 -14.208 2.831 1.00 0.00 C ATOM 1488 OE1 GLU A 94 -0.089 -14.167 1.655 1.00 0.00 O ATOM 1489 OE2 GLU A 94 -0.085 -15.019 3.681 1.00 0.00 O ATOM 0 H GLU A 94 -5.004 -13.816 1.311 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.791 -15.446 2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.590 -13.085 1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.563 -12.594 2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.187 -12.208 3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.839 -13.390 4.292 1.00 0.00 H new