USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 612 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 91 THR OG1 : rot 180:sc= 0.0145 USER MOD Set 1.2: A 96 THR OG1 : rot 88:sc= 0.0119 USER MOD Set 2.1: A 35 TYR OH : rot -27:sc= -8.71! USER MOD Set 2.2: A 39 THR OG1 : rot 80:sc= 0.757 USER MOD Set 2.3: A 69 THR OG1 : rot 128:sc= -1.09! USER MOD Single : A 8 THR OG1 : rot -35:sc= 0.786 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.63 X(o=-1.6,f=-1.2) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -27:sc= 0.528 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -70:sc= -0.565 USER MOD Single : A 41 ASN : amide:sc= -0.186 K(o=-0.19,f=-3.5!) USER MOD Single : A 43 THR OG1 : rot -47:sc= -0.227! USER MOD Single : A 56 SER OG : rot 158:sc= -4.55! USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -160:sc= -0.664 USER MOD Single : A 61 THR OG1 : rot 18:sc= -2.95! USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 68 SER OG : rot 180:sc= -1.76! USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.095 X(o=-0.095,f=-0.38) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.6 USER MOD Single : A 86 TYR OH : rot 41:sc= -1.44! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A 89 GLN : amide:sc=-0.00641 X(o=-0.0064,f=-0.018) USER MOD Single : A 92 TYR OH : rot -169:sc= -2.65! USER MOD Single : A 93 GLN : amide:sc= -0.585 K(o=-0.59,f=-5.1!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0705 X(o=-0.07,f=-0.26) USER MOD Single : A 100 SER OG : rot -121:sc= 0.0419 USER MOD Single : A 101 THR OG1 : rot 140:sc= -0.575! USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 8 1.822 9.071 -5.167 1.00 0.00 N ATOM 113 CA THR A 8 1.497 7.946 -6.029 1.00 0.00 C ATOM 114 C THR A 8 1.714 6.625 -5.291 1.00 0.00 C ATOM 115 O THR A 8 2.785 6.389 -4.735 1.00 0.00 O ATOM 116 CB THR A 8 2.332 8.073 -7.305 1.00 0.00 C ATOM 117 OG1 THR A 8 3.140 9.225 -7.080 1.00 0.00 O ATOM 118 CG2 THR A 8 1.488 8.444 -8.526 1.00 0.00 C ATOM 0 HA THR A 8 0.443 7.955 -6.308 1.00 0.00 H new ATOM 0 HB THR A 8 2.848 7.131 -7.493 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.633 9.883 -6.560 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.131 8.521 -9.403 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.734 7.675 -8.695 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.997 9.401 -8.351 1.00 0.00 H new ATOM 126 N VAL A 9 0.678 5.797 -5.307 1.00 0.00 N ATOM 127 CA VAL A 9 0.742 4.506 -4.645 1.00 0.00 C ATOM 128 C VAL A 9 0.149 3.436 -5.566 1.00 0.00 C ATOM 129 O VAL A 9 -0.901 3.644 -6.167 1.00 0.00 O ATOM 130 CB VAL A 9 0.042 4.579 -3.287 1.00 0.00 C ATOM 131 CG1 VAL A 9 -1.479 4.565 -3.452 1.00 0.00 C ATOM 132 CG2 VAL A 9 0.506 3.447 -2.369 1.00 0.00 C ATOM 0 H VAL A 9 -0.210 5.996 -5.768 1.00 0.00 H new ATOM 0 HA VAL A 9 1.778 4.229 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 9 0.318 5.524 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.952 4.618 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.788 5.422 -4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.782 3.645 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.007 3.523 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.274 2.487 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.582 3.524 -2.212 1.00 0.00 H new ATOM 142 N LYS A 10 0.852 2.315 -5.646 1.00 0.00 N ATOM 143 CA LYS A 10 0.410 1.212 -6.482 1.00 0.00 C ATOM 144 C LYS A 10 0.691 -0.110 -5.768 1.00 0.00 C ATOM 145 O LYS A 10 1.306 -0.126 -4.701 1.00 0.00 O ATOM 146 CB LYS A 10 1.042 1.307 -7.872 1.00 0.00 C ATOM 147 CG LYS A 10 0.966 2.736 -8.414 1.00 0.00 C ATOM 148 CD LYS A 10 -0.456 3.079 -8.862 1.00 0.00 C ATOM 149 CE LYS A 10 -0.589 2.972 -10.383 1.00 0.00 C ATOM 150 NZ LYS A 10 -2.011 3.067 -10.785 1.00 0.00 N ATOM 0 H LYS A 10 1.725 2.147 -5.145 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.667 1.264 -6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.083 0.987 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.531 0.628 -8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.288 3.438 -7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.652 2.847 -9.254 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.165 2.405 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.709 4.089 -8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.016 3.766 -10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.170 2.026 -10.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.085 2.993 -11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.549 2.294 -10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.399 3.981 -10.475 1.00 0.00 H new ATOM 164 N ILE A 11 0.227 -1.188 -6.380 1.00 0.00 N ATOM 165 CA ILE A 11 0.423 -2.513 -5.816 1.00 0.00 C ATOM 166 C ILE A 11 1.024 -3.433 -6.880 1.00 0.00 C ATOM 167 O ILE A 11 0.485 -3.551 -7.980 1.00 0.00 O ATOM 168 CB ILE A 11 -0.882 -3.036 -5.217 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.718 -3.348 -3.726 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.401 -4.245 -6.000 1.00 0.00 C ATOM 171 CD1 ILE A 11 0.565 -4.143 -3.472 1.00 0.00 C ATOM 0 H ILE A 11 -0.285 -1.172 -7.262 1.00 0.00 H new ATOM 0 HA ILE A 11 1.134 -2.475 -4.991 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.633 -2.250 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.694 -2.419 -3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.579 -3.916 -3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.330 -4.597 -5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.583 -3.957 -7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.659 -5.043 -5.971 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.659 -4.352 -2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.526 -5.082 -4.024 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.425 -3.562 -3.805 1.00 0.00 H new ATOM 183 N LEU A 12 2.131 -4.064 -6.516 1.00 0.00 N ATOM 184 CA LEU A 12 2.811 -4.968 -7.425 1.00 0.00 C ATOM 185 C LEU A 12 2.882 -6.360 -6.794 1.00 0.00 C ATOM 186 O LEU A 12 3.340 -6.510 -5.662 1.00 0.00 O ATOM 187 CB LEU A 12 4.175 -4.404 -7.825 1.00 0.00 C ATOM 188 CG LEU A 12 4.167 -3.009 -8.457 1.00 0.00 C ATOM 189 CD1 LEU A 12 5.586 -2.449 -8.567 1.00 0.00 C ATOM 190 CD2 LEU A 12 3.447 -3.024 -9.806 1.00 0.00 C ATOM 0 H LEU A 12 2.574 -3.966 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 12 2.249 -5.066 -8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.808 -4.375 -6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.640 -5.096 -8.527 1.00 0.00 H new ATOM 0 HG LEU A 12 3.609 -2.339 -7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.552 -1.458 -9.019 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.028 -2.380 -7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.191 -3.110 -9.188 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.455 -2.022 -10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.955 -3.711 -10.482 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.416 -3.350 -9.665 1.00 0.00 H new ATOM 202 N GLN A 13 2.423 -7.344 -7.553 1.00 0.00 N ATOM 203 CA GLN A 13 2.429 -8.720 -7.083 1.00 0.00 C ATOM 204 C GLN A 13 3.507 -9.525 -7.807 1.00 0.00 C ATOM 205 O GLN A 13 3.707 -9.359 -9.010 1.00 0.00 O ATOM 206 CB GLN A 13 1.053 -9.365 -7.256 1.00 0.00 C ATOM 207 CG GLN A 13 0.085 -8.410 -7.958 1.00 0.00 C ATOM 208 CD GLN A 13 0.321 -8.404 -9.470 1.00 0.00 C ATOM 209 OE1 GLN A 13 0.379 -9.435 -10.119 1.00 0.00 O ATOM 210 NE2 GLN A 13 0.454 -7.188 -9.991 1.00 0.00 N ATOM 0 H GLN A 13 2.044 -7.216 -8.491 1.00 0.00 H new ATOM 0 HA GLN A 13 2.661 -8.717 -6.018 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.148 -10.283 -7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.652 -9.643 -6.281 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.942 -8.708 -7.748 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.212 -7.402 -7.562 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.395 -6.366 -9.390 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.615 -7.077 -10.992 1.00 0.00 H new ATOM 219 N SER A 14 4.175 -10.381 -7.048 1.00 0.00 N ATOM 220 CA SER A 14 5.230 -11.211 -7.602 1.00 0.00 C ATOM 221 C SER A 14 5.038 -12.663 -7.161 1.00 0.00 C ATOM 222 O SER A 14 5.817 -13.180 -6.361 1.00 0.00 O ATOM 223 CB SER A 14 6.610 -10.706 -7.181 1.00 0.00 C ATOM 224 OG SER A 14 7.539 -10.728 -8.261 1.00 0.00 O ATOM 0 H SER A 14 4.005 -10.518 -6.052 1.00 0.00 H new ATOM 0 HA SER A 14 5.172 -11.157 -8.689 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.523 -9.689 -6.799 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.988 -11.322 -6.365 1.00 0.00 H new ATOM 0 HG SER A 14 8.408 -10.396 -7.952 1.00 0.00 H new ATOM 230 N SER A 15 3.996 -13.282 -7.700 1.00 0.00 N ATOM 231 CA SER A 15 3.692 -14.662 -7.371 1.00 0.00 C ATOM 232 C SER A 15 3.544 -15.485 -8.652 1.00 0.00 C ATOM 233 O SER A 15 3.128 -14.964 -9.685 1.00 0.00 O ATOM 234 CB SER A 15 2.420 -14.763 -6.527 1.00 0.00 C ATOM 235 OG SER A 15 1.244 -14.584 -7.310 1.00 0.00 O ATOM 0 H SER A 15 3.352 -12.851 -8.363 1.00 0.00 H new ATOM 0 HA SER A 15 4.518 -15.061 -6.782 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.385 -15.737 -6.039 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.448 -14.012 -5.738 1.00 0.00 H new ATOM 0 HG SER A 15 0.454 -14.657 -6.735 1.00 0.00 H new ATOM 351 N THR A 25 6.323 -19.146 -2.323 1.00 0.00 N ATOM 352 CA THR A 25 5.983 -18.000 -1.497 1.00 0.00 C ATOM 353 C THR A 25 5.263 -16.939 -2.329 1.00 0.00 C ATOM 354 O THR A 25 4.833 -17.207 -3.449 1.00 0.00 O ATOM 355 CB THR A 25 7.269 -17.492 -0.843 1.00 0.00 C ATOM 356 OG1 THR A 25 8.178 -17.348 -1.930 1.00 0.00 O ATOM 357 CG2 THR A 25 7.926 -18.544 0.054 1.00 0.00 C ATOM 0 HA THR A 25 5.286 -18.274 -0.705 1.00 0.00 H new ATOM 0 HB THR A 25 7.049 -16.600 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.932 -17.970 -2.646 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.834 -18.132 0.493 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.235 -18.827 0.848 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.177 -19.423 -0.540 1.00 0.00 H new ATOM 365 N ILE A 26 5.153 -15.751 -1.747 1.00 0.00 N ATOM 366 CA ILE A 26 4.492 -14.647 -2.422 1.00 0.00 C ATOM 367 C ILE A 26 5.299 -13.365 -2.204 1.00 0.00 C ATOM 368 O ILE A 26 5.670 -13.046 -1.076 1.00 0.00 O ATOM 369 CB ILE A 26 3.035 -14.540 -1.971 1.00 0.00 C ATOM 370 CG1 ILE A 26 2.119 -14.195 -3.147 1.00 0.00 C ATOM 371 CG2 ILE A 26 2.888 -13.542 -0.819 1.00 0.00 C ATOM 372 CD1 ILE A 26 0.796 -13.603 -2.659 1.00 0.00 C ATOM 0 H ILE A 26 5.510 -15.531 -0.817 1.00 0.00 H new ATOM 0 HA ILE A 26 4.457 -14.823 -3.497 1.00 0.00 H new ATOM 0 HB ILE A 26 2.723 -15.515 -1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.619 -13.484 -3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.925 -15.091 -3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.842 -13.485 -0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.492 -13.871 0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.226 -12.558 -1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.165 -13.367 -3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.287 -14.326 -2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.992 -12.693 -2.091 1.00 0.00 H new ATOM 384 N GLN A 27 5.548 -12.668 -3.302 1.00 0.00 N ATOM 385 CA GLN A 27 6.304 -11.427 -3.244 1.00 0.00 C ATOM 386 C GLN A 27 5.440 -10.255 -3.713 1.00 0.00 C ATOM 387 O GLN A 27 5.471 -9.888 -4.887 1.00 0.00 O ATOM 388 CB GLN A 27 7.587 -11.529 -4.075 1.00 0.00 C ATOM 389 CG GLN A 27 8.806 -11.737 -3.176 1.00 0.00 C ATOM 390 CD GLN A 27 9.746 -12.796 -3.760 1.00 0.00 C ATOM 391 OE1 GLN A 27 9.987 -12.855 -4.954 1.00 0.00 O ATOM 392 NE2 GLN A 27 10.256 -13.626 -2.853 1.00 0.00 N ATOM 0 H GLN A 27 5.241 -12.938 -4.236 1.00 0.00 H new ATOM 0 HA GLN A 27 6.592 -11.248 -2.208 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.504 -12.357 -4.779 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.716 -10.621 -4.665 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.342 -10.795 -3.060 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.481 -12.043 -2.182 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.011 -13.519 -1.869 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.892 -14.369 -3.142 1.00 0.00 H new ATOM 401 N LEU A 28 4.688 -9.703 -2.773 1.00 0.00 N ATOM 402 CA LEU A 28 3.816 -8.581 -3.073 1.00 0.00 C ATOM 403 C LEU A 28 4.479 -7.285 -2.600 1.00 0.00 C ATOM 404 O LEU A 28 4.527 -7.011 -1.401 1.00 0.00 O ATOM 405 CB LEU A 28 2.424 -8.812 -2.484 1.00 0.00 C ATOM 406 CG LEU A 28 1.895 -10.244 -2.554 1.00 0.00 C ATOM 407 CD1 LEU A 28 0.833 -10.491 -1.481 1.00 0.00 C ATOM 408 CD2 LEU A 28 1.375 -10.570 -3.959 1.00 0.00 C ATOM 0 H LEU A 28 4.665 -10.013 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 28 3.669 -8.489 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.437 -8.502 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.720 -8.160 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 28 2.723 -10.923 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.474 -11.518 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.267 -10.328 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.000 -9.804 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.004 -11.595 -3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.566 -9.886 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.184 -10.461 -4.681 1.00 0.00 H new ATOM 420 N LEU A 29 4.971 -6.523 -3.564 1.00 0.00 N ATOM 421 CA LEU A 29 5.627 -5.262 -3.261 1.00 0.00 C ATOM 422 C LEU A 29 4.750 -4.106 -3.744 1.00 0.00 C ATOM 423 O LEU A 29 4.228 -4.140 -4.858 1.00 0.00 O ATOM 424 CB LEU A 29 7.044 -5.243 -3.839 1.00 0.00 C ATOM 425 CG LEU A 29 7.308 -6.205 -4.999 1.00 0.00 C ATOM 426 CD1 LEU A 29 6.631 -5.719 -6.280 1.00 0.00 C ATOM 427 CD2 LEU A 29 8.809 -6.431 -5.193 1.00 0.00 C ATOM 0 H LEU A 29 4.929 -6.754 -4.557 1.00 0.00 H new ATOM 0 HA LEU A 29 5.745 -5.143 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.264 -4.230 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.745 -5.472 -3.037 1.00 0.00 H new ATOM 0 HG LEU A 29 6.867 -7.170 -4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.835 -6.421 -7.088 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.555 -5.652 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.020 -4.736 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.969 -7.119 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.295 -5.480 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.234 -6.856 -4.283 1.00 0.00 H new ATOM 439 N CYS A 30 4.614 -3.110 -2.883 1.00 0.00 N ATOM 440 CA CYS A 30 3.810 -1.943 -3.207 1.00 0.00 C ATOM 441 C CYS A 30 4.716 -0.900 -3.863 1.00 0.00 C ATOM 442 O CYS A 30 5.938 -0.978 -3.749 1.00 0.00 O ATOM 443 CB CYS A 30 3.096 -1.386 -1.975 1.00 0.00 C ATOM 444 SG CYS A 30 1.299 -1.110 -2.185 1.00 0.00 S ATOM 0 H CYS A 30 5.047 -3.086 -1.960 1.00 0.00 H new ATOM 0 HA CYS A 30 3.021 -2.226 -3.904 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.248 -2.073 -1.143 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.564 -0.441 -1.698 1.00 0.00 H new ATOM 449 N LEU A 31 4.082 0.051 -4.533 1.00 0.00 N ATOM 450 CA LEU A 31 4.817 1.108 -5.207 1.00 0.00 C ATOM 451 C LEU A 31 4.265 2.466 -4.767 1.00 0.00 C ATOM 452 O LEU A 31 3.207 2.890 -5.233 1.00 0.00 O ATOM 453 CB LEU A 31 4.794 0.896 -6.722 1.00 0.00 C ATOM 454 CG LEU A 31 5.051 2.138 -7.578 1.00 0.00 C ATOM 455 CD1 LEU A 31 3.792 3.002 -7.683 1.00 0.00 C ATOM 456 CD2 LEU A 31 6.249 2.931 -7.048 1.00 0.00 C ATOM 0 H LEU A 31 3.068 0.112 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 31 5.869 1.083 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.541 0.144 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.823 0.485 -6.996 1.00 0.00 H new ATOM 0 HG LEU A 31 5.302 1.812 -8.587 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.002 3.878 -8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.990 2.422 -8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.486 3.322 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.410 3.809 -7.674 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.052 3.247 -6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.139 2.302 -7.068 1.00 0.00 H new ATOM 468 N VAL A 32 5.006 3.111 -3.880 1.00 0.00 N ATOM 469 CA VAL A 32 4.605 4.412 -3.371 1.00 0.00 C ATOM 470 C VAL A 32 5.825 5.336 -3.332 1.00 0.00 C ATOM 471 O VAL A 32 6.732 5.137 -2.527 1.00 0.00 O ATOM 472 CB VAL A 32 3.927 4.257 -2.009 1.00 0.00 C ATOM 473 CG1 VAL A 32 4.963 4.197 -0.886 1.00 0.00 C ATOM 474 CG2 VAL A 32 2.919 5.381 -1.768 1.00 0.00 C ATOM 0 H VAL A 32 5.884 2.757 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 32 3.870 4.871 -4.032 1.00 0.00 H new ATOM 0 HB VAL A 32 3.381 3.314 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.455 4.087 0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.624 3.346 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.549 5.116 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.451 5.247 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.432 6.342 -1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.154 5.356 -2.544 1.00 0.00 H new ATOM 484 N SER A 33 5.803 6.328 -4.210 1.00 0.00 N ATOM 485 CA SER A 33 6.895 7.284 -4.284 1.00 0.00 C ATOM 486 C SER A 33 6.371 8.639 -4.762 1.00 0.00 C ATOM 487 O SER A 33 5.176 8.798 -5.004 1.00 0.00 O ATOM 488 CB SER A 33 8.003 6.784 -5.214 1.00 0.00 C ATOM 489 OG SER A 33 7.489 6.352 -6.470 1.00 0.00 O ATOM 0 H SER A 33 5.047 6.490 -4.875 1.00 0.00 H new ATOM 0 HA SER A 33 7.320 7.397 -3.287 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.729 7.581 -5.374 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.533 5.960 -4.736 1.00 0.00 H new ATOM 0 HG SER A 33 8.226 6.042 -7.036 1.00 0.00 H new ATOM 495 N GLY A 34 7.294 9.585 -4.885 1.00 0.00 N ATOM 496 CA GLY A 34 6.939 10.922 -5.330 1.00 0.00 C ATOM 497 C GLY A 34 6.361 11.747 -4.180 1.00 0.00 C ATOM 498 O GLY A 34 6.747 12.898 -3.982 1.00 0.00 O ATOM 0 H GLY A 34 8.285 9.451 -4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.820 11.421 -5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.211 10.859 -6.139 1.00 0.00 H new ATOM 502 N TYR A 35 5.443 11.128 -3.452 1.00 0.00 N ATOM 503 CA TYR A 35 4.808 11.791 -2.329 1.00 0.00 C ATOM 504 C TYR A 35 5.821 12.075 -1.215 1.00 0.00 C ATOM 505 O TYR A 35 6.811 11.361 -1.076 1.00 0.00 O ATOM 506 CB TYR A 35 3.751 10.816 -1.804 1.00 0.00 C ATOM 507 CG TYR A 35 4.334 9.551 -1.171 1.00 0.00 C ATOM 508 CD1 TYR A 35 4.907 9.610 0.085 1.00 0.00 C ATOM 509 CD2 TYR A 35 4.288 8.352 -1.851 1.00 0.00 C ATOM 510 CE1 TYR A 35 5.453 8.418 0.682 1.00 0.00 C ATOM 511 CE2 TYR A 35 4.834 7.162 -1.253 1.00 0.00 C ATOM 512 CZ TYR A 35 5.391 7.254 -0.016 1.00 0.00 C ATOM 513 OH TYR A 35 5.909 6.129 0.548 1.00 0.00 O ATOM 0 H TYR A 35 5.125 10.174 -3.619 1.00 0.00 H new ATOM 0 HA TYR A 35 4.380 12.744 -2.639 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.133 11.328 -1.066 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.095 10.530 -2.626 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.945 10.548 0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.842 8.306 -2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.902 8.449 1.664 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.802 6.217 -1.775 1.00 0.00 H new ATOM 0 HH TYR A 35 6.620 6.375 1.176 1.00 0.00 H new ATOM 523 N THR A 36 5.533 13.119 -0.451 1.00 0.00 N ATOM 524 CA THR A 36 6.407 13.505 0.646 1.00 0.00 C ATOM 525 C THR A 36 7.858 13.589 0.167 1.00 0.00 C ATOM 526 O THR A 36 8.309 12.750 -0.611 1.00 0.00 O ATOM 527 CB THR A 36 6.199 12.510 1.788 1.00 0.00 C ATOM 528 OG1 THR A 36 4.788 12.314 1.828 1.00 0.00 O ATOM 529 CG2 THR A 36 6.529 13.111 3.156 1.00 0.00 C ATOM 0 H THR A 36 4.709 13.709 -0.569 1.00 0.00 H new ATOM 0 HA THR A 36 6.163 14.501 1.016 1.00 0.00 H new ATOM 0 HB THR A 36 6.819 11.630 1.618 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.354 13.128 2.158 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.364 12.363 3.931 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.572 13.427 3.172 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.886 13.972 3.340 1.00 0.00 H new ATOM 537 N PRO A 37 8.567 14.636 0.666 1.00 0.00 N ATOM 538 CA PRO A 37 9.958 14.841 0.298 1.00 0.00 C ATOM 539 C PRO A 37 10.868 13.840 1.015 1.00 0.00 C ATOM 540 O PRO A 37 12.027 13.672 0.641 1.00 0.00 O ATOM 541 CB PRO A 37 10.255 16.283 0.673 1.00 0.00 C ATOM 542 CG PRO A 37 9.170 16.692 1.654 1.00 0.00 C ATOM 543 CD PRO A 37 8.066 15.650 1.589 1.00 0.00 C ATOM 0 HA PRO A 37 10.141 14.672 -0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.243 16.373 1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.247 16.925 -0.208 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.574 16.758 2.664 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.780 17.678 1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.864 15.225 2.572 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.132 16.084 1.231 1.00 0.00 H new ATOM 551 N GLY A 38 10.305 13.198 2.030 1.00 0.00 N ATOM 552 CA GLY A 38 11.050 12.219 2.800 1.00 0.00 C ATOM 553 C GLY A 38 10.314 10.878 2.840 1.00 0.00 C ATOM 554 O GLY A 38 10.790 9.922 3.453 1.00 0.00 O ATOM 0 H GLY A 38 9.342 13.338 2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.039 12.082 2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.199 12.587 3.815 1.00 0.00 H new ATOM 558 N THR A 39 9.165 10.849 2.182 1.00 0.00 N ATOM 559 CA THR A 39 8.359 9.643 2.134 1.00 0.00 C ATOM 560 C THR A 39 7.288 9.674 3.228 1.00 0.00 C ATOM 561 O THR A 39 7.059 10.709 3.848 1.00 0.00 O ATOM 562 CB THR A 39 9.301 8.440 2.238 1.00 0.00 C ATOM 563 OG1 THR A 39 8.651 7.425 1.479 1.00 0.00 O ATOM 564 CG2 THR A 39 9.360 7.866 3.656 1.00 0.00 C ATOM 0 H THR A 39 8.773 11.644 1.677 1.00 0.00 H new ATOM 0 HA THR A 39 7.815 9.567 1.192 1.00 0.00 H new ATOM 0 HB THR A 39 10.302 8.733 1.922 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.819 7.572 0.525 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.041 7.015 3.676 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.716 8.633 4.344 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.365 7.541 3.959 1.00 0.00 H new ATOM 572 N ILE A 40 6.660 8.524 3.429 1.00 0.00 N ATOM 573 CA ILE A 40 5.621 8.405 4.436 1.00 0.00 C ATOM 574 C ILE A 40 5.924 7.210 5.339 1.00 0.00 C ATOM 575 O ILE A 40 7.082 6.949 5.663 1.00 0.00 O ATOM 576 CB ILE A 40 4.242 8.343 3.776 1.00 0.00 C ATOM 577 CG1 ILE A 40 4.125 7.122 2.861 1.00 0.00 C ATOM 578 CG2 ILE A 40 3.926 9.645 3.039 1.00 0.00 C ATOM 579 CD1 ILE A 40 3.071 7.348 1.777 1.00 0.00 C ATOM 0 H ILE A 40 6.852 7.667 2.911 1.00 0.00 H new ATOM 0 HA ILE A 40 5.606 9.289 5.074 1.00 0.00 H new ATOM 0 HB ILE A 40 3.494 8.229 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.090 6.917 2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.862 6.244 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.940 9.573 2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.937 10.475 3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.675 9.816 2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.008 6.465 1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.103 7.529 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.350 8.211 1.173 1.00 0.00 H new ATOM 591 N ASN A 41 4.866 6.512 5.723 1.00 0.00 N ATOM 592 CA ASN A 41 5.004 5.349 6.583 1.00 0.00 C ATOM 593 C ASN A 41 4.724 4.083 5.771 1.00 0.00 C ATOM 594 O ASN A 41 3.998 4.126 4.779 1.00 0.00 O ATOM 595 CB ASN A 41 4.005 5.397 7.740 1.00 0.00 C ATOM 596 CG ASN A 41 4.281 4.281 8.749 1.00 0.00 C ATOM 597 OD1 ASN A 41 5.379 3.759 8.854 1.00 0.00 O ATOM 598 ND2 ASN A 41 3.225 3.943 9.483 1.00 0.00 N ATOM 0 H ASN A 41 3.907 6.730 5.454 1.00 0.00 H new ATOM 0 HA ASN A 41 6.018 5.344 6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.065 6.365 8.237 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.990 5.300 7.353 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.306 3.207 10.184 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.334 4.420 9.345 1.00 0.00 H new ATOM 605 N ILE A 42 5.317 2.986 6.222 1.00 0.00 N ATOM 606 CA ILE A 42 5.140 1.710 5.549 1.00 0.00 C ATOM 607 C ILE A 42 4.453 0.728 6.500 1.00 0.00 C ATOM 608 O ILE A 42 4.898 0.538 7.630 1.00 0.00 O ATOM 609 CB ILE A 42 6.477 1.205 5.003 1.00 0.00 C ATOM 610 CG1 ILE A 42 7.212 2.309 4.240 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.280 -0.049 4.145 1.00 0.00 C ATOM 612 CD1 ILE A 42 8.728 2.134 4.349 1.00 0.00 C ATOM 0 H ILE A 42 5.920 2.955 7.044 1.00 0.00 H new ATOM 0 HA ILE A 42 4.489 1.822 4.682 1.00 0.00 H new ATOM 0 HB ILE A 42 7.106 0.924 5.848 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.915 2.291 3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.925 3.283 4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.245 -0.388 3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.829 -0.836 4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.625 0.184 3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.227 2.931 3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.025 2.176 5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.014 1.169 3.930 1.00 0.00 H new ATOM 624 N THR A 43 3.377 0.131 6.007 1.00 0.00 N ATOM 625 CA THR A 43 2.624 -0.828 6.798 1.00 0.00 C ATOM 626 C THR A 43 1.817 -1.754 5.888 1.00 0.00 C ATOM 627 O THR A 43 1.623 -1.457 4.710 1.00 0.00 O ATOM 628 CB THR A 43 1.760 -0.045 7.788 1.00 0.00 C ATOM 629 OG1 THR A 43 2.644 0.936 8.324 1.00 0.00 O ATOM 630 CG2 THR A 43 1.356 -0.884 9.002 1.00 0.00 C ATOM 0 H THR A 43 3.009 0.293 5.070 1.00 0.00 H new ATOM 0 HA THR A 43 3.287 -1.481 7.366 1.00 0.00 H new ATOM 0 HB THR A 43 0.865 0.316 7.281 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.491 0.511 8.574 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.744 -0.281 9.673 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.785 -1.752 8.671 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.251 -1.218 9.528 1.00 0.00 H new ATOM 638 N TRP A 44 1.372 -2.858 6.466 1.00 0.00 N ATOM 639 CA TRP A 44 0.590 -3.831 5.722 1.00 0.00 C ATOM 640 C TRP A 44 -0.480 -4.395 6.659 1.00 0.00 C ATOM 641 O TRP A 44 -0.175 -4.807 7.777 1.00 0.00 O ATOM 642 CB TRP A 44 1.490 -4.913 5.120 1.00 0.00 C ATOM 643 CG TRP A 44 2.577 -4.372 4.188 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.569 -3.524 4.483 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.737 -4.680 2.787 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.357 -3.262 3.381 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.835 -3.988 2.317 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.981 -5.516 1.947 1.00 0.00 C ATOM 649 CZ2 TRP A 44 4.276 -4.061 0.988 1.00 0.00 C ATOM 650 CZ3 TRP A 44 2.434 -5.577 0.624 1.00 0.00 C ATOM 651 CH2 TRP A 44 3.538 -4.887 0.133 1.00 0.00 C ATOM 0 H TRP A 44 1.538 -3.102 7.442 1.00 0.00 H new ATOM 0 HA TRP A 44 0.095 -3.360 4.873 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.964 -5.469 5.929 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.871 -5.620 4.567 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.733 -3.098 5.462 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.172 -2.649 3.353 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.120 -6.067 2.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.138 -3.510 0.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.888 -6.204 -0.065 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.824 -4.989 -0.903 1.00 0.00 H new ATOM 662 N LEU A 45 -1.709 -4.399 6.165 1.00 0.00 N ATOM 663 CA LEU A 45 -2.826 -4.908 6.945 1.00 0.00 C ATOM 664 C LEU A 45 -2.905 -6.426 6.785 1.00 0.00 C ATOM 665 O LEU A 45 -3.341 -6.924 5.747 1.00 0.00 O ATOM 666 CB LEU A 45 -4.118 -4.181 6.566 1.00 0.00 C ATOM 667 CG LEU A 45 -5.420 -4.876 6.967 1.00 0.00 C ATOM 668 CD1 LEU A 45 -5.415 -5.235 8.455 1.00 0.00 C ATOM 669 CD2 LEU A 45 -6.634 -4.026 6.588 1.00 0.00 C ATOM 0 H LEU A 45 -1.957 -4.059 5.236 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.673 -4.707 8.005 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.102 -3.191 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.125 -4.034 5.486 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.493 -5.810 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.352 -5.728 8.714 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.582 -5.906 8.665 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.307 -4.327 9.048 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.547 -4.543 6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.579 -3.065 7.099 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.642 -3.864 5.510 1.00 0.00 H new ATOM 681 N GLU A 46 -2.477 -7.122 7.829 1.00 0.00 N ATOM 682 CA GLU A 46 -2.495 -8.575 7.816 1.00 0.00 C ATOM 683 C GLU A 46 -3.731 -9.098 8.550 1.00 0.00 C ATOM 684 O GLU A 46 -4.142 -8.533 9.562 1.00 0.00 O ATOM 685 CB GLU A 46 -1.212 -9.145 8.430 1.00 0.00 C ATOM 686 CG GLU A 46 -0.925 -10.549 7.896 1.00 0.00 C ATOM 687 CD GLU A 46 -1.374 -11.617 8.896 1.00 0.00 C ATOM 688 OE1 GLU A 46 -1.639 -11.299 10.064 1.00 0.00 O ATOM 689 OE2 GLU A 46 -1.444 -12.813 8.420 1.00 0.00 O ATOM 0 H GLU A 46 -2.116 -6.707 8.688 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.544 -8.908 6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.373 -8.487 8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.307 -9.177 9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.441 -10.694 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.142 -10.656 7.698 1.00 0.00 H new ATOM 697 N ASP A 47 -4.292 -10.170 8.009 1.00 0.00 N ATOM 698 CA ASP A 47 -5.472 -10.777 8.599 1.00 0.00 C ATOM 699 C ASP A 47 -5.531 -12.255 8.212 1.00 0.00 C ATOM 700 O ASP A 47 -5.870 -12.589 7.077 1.00 0.00 O ATOM 701 CB ASP A 47 -6.748 -10.102 8.088 1.00 0.00 C ATOM 702 CG ASP A 47 -7.528 -9.313 9.140 1.00 0.00 C ATOM 703 OD1 ASP A 47 -6.948 -8.548 9.925 1.00 0.00 O ATOM 704 OD2 ASP A 47 -8.804 -9.511 9.138 1.00 0.00 O ATOM 0 H ASP A 47 -3.950 -10.634 7.167 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.407 -10.659 9.681 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.483 -9.428 7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.403 -10.866 7.670 1.00 0.00 H new ATOM 796 N ASP A 54 6.356 -14.005 7.507 1.00 0.00 N ATOM 797 CA ASP A 54 5.339 -13.485 6.612 1.00 0.00 C ATOM 798 C ASP A 54 5.058 -12.022 6.959 1.00 0.00 C ATOM 799 O ASP A 54 4.079 -11.719 7.638 1.00 0.00 O ATOM 800 CB ASP A 54 4.030 -14.263 6.750 1.00 0.00 C ATOM 801 CG ASP A 54 2.761 -13.460 6.450 1.00 0.00 C ATOM 802 OD1 ASP A 54 2.791 -12.494 5.672 1.00 0.00 O ATOM 803 OD2 ASP A 54 1.701 -13.866 7.059 1.00 0.00 O ATOM 0 HA ASP A 54 5.709 -13.583 5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.064 -15.122 6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.963 -14.653 7.766 1.00 0.00 H new ATOM 809 N LEU A 55 5.935 -11.153 6.477 1.00 0.00 N ATOM 810 CA LEU A 55 5.794 -9.730 6.727 1.00 0.00 C ATOM 811 C LEU A 55 6.155 -8.953 5.459 1.00 0.00 C ATOM 812 O LEU A 55 6.781 -9.498 4.552 1.00 0.00 O ATOM 813 CB LEU A 55 6.614 -9.318 7.954 1.00 0.00 C ATOM 814 CG LEU A 55 7.747 -8.321 7.700 1.00 0.00 C ATOM 815 CD1 LEU A 55 8.660 -8.807 6.573 1.00 0.00 C ATOM 816 CD2 LEU A 55 7.194 -6.920 7.427 1.00 0.00 C ATOM 0 H LEU A 55 6.746 -11.408 5.914 1.00 0.00 H new ATOM 0 HA LEU A 55 4.759 -9.487 6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.936 -8.887 8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.041 -10.217 8.400 1.00 0.00 H new ATOM 0 HG LEU A 55 8.355 -8.256 8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.457 -8.081 6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.095 -9.769 6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.080 -8.918 5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.020 -6.231 7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.550 -6.948 6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.618 -6.582 8.288 1.00 0.00 H new ATOM 828 N SER A 56 5.745 -7.693 5.438 1.00 0.00 N ATOM 829 CA SER A 56 6.016 -6.837 4.297 1.00 0.00 C ATOM 830 C SER A 56 6.672 -5.536 4.763 1.00 0.00 C ATOM 831 O SER A 56 6.220 -4.918 5.723 1.00 0.00 O ATOM 832 CB SER A 56 4.735 -6.535 3.516 1.00 0.00 C ATOM 833 OG SER A 56 3.591 -7.138 4.117 1.00 0.00 O ATOM 0 H SER A 56 5.227 -7.245 6.194 1.00 0.00 H new ATOM 0 HA SER A 56 6.699 -7.363 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.590 -5.456 3.460 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.840 -6.896 2.493 1.00 0.00 H new ATOM 0 HG SER A 56 2.783 -6.659 3.837 1.00 0.00 H new ATOM 839 N THR A 57 7.730 -5.160 4.058 1.00 0.00 N ATOM 840 CA THR A 57 8.453 -3.944 4.388 1.00 0.00 C ATOM 841 C THR A 57 8.721 -3.123 3.123 1.00 0.00 C ATOM 842 O THR A 57 8.741 -3.667 2.021 1.00 0.00 O ATOM 843 CB THR A 57 9.728 -4.339 5.137 1.00 0.00 C ATOM 844 OG1 THR A 57 9.513 -5.703 5.492 1.00 0.00 O ATOM 845 CG2 THR A 57 9.866 -3.620 6.481 1.00 0.00 C ATOM 0 H THR A 57 8.103 -5.676 3.261 1.00 0.00 H new ATOM 0 HA THR A 57 7.864 -3.298 5.039 1.00 0.00 H new ATOM 0 HB THR A 57 10.597 -4.117 4.517 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.293 -6.041 5.981 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.787 -3.937 6.970 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.894 -2.543 6.316 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.015 -3.868 7.115 1.00 0.00 H new ATOM 853 N ALA A 58 8.921 -1.828 3.329 1.00 0.00 N ATOM 854 CA ALA A 58 9.190 -0.929 2.220 1.00 0.00 C ATOM 855 C ALA A 58 10.371 -0.026 2.575 1.00 0.00 C ATOM 856 O ALA A 58 10.596 0.276 3.745 1.00 0.00 O ATOM 857 CB ALA A 58 7.923 -0.132 1.894 1.00 0.00 C ATOM 0 H ALA A 58 8.902 -1.382 4.246 1.00 0.00 H new ATOM 0 HA ALA A 58 9.463 -1.491 1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.122 0.544 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.122 -0.818 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.622 0.447 2.767 1.00 0.00 H new ATOM 863 N SER A 59 11.095 0.380 1.542 1.00 0.00 N ATOM 864 CA SER A 59 12.248 1.244 1.729 1.00 0.00 C ATOM 865 C SER A 59 11.948 2.642 1.186 1.00 0.00 C ATOM 866 O SER A 59 11.224 2.789 0.203 1.00 0.00 O ATOM 867 CB SER A 59 13.487 0.662 1.046 1.00 0.00 C ATOM 868 OG SER A 59 14.682 0.958 1.766 1.00 0.00 O ATOM 0 H SER A 59 10.905 0.126 0.572 1.00 0.00 H new ATOM 0 HA SER A 59 12.454 1.314 2.797 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.377 -0.419 0.955 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.565 1.061 0.035 1.00 0.00 H new ATOM 0 HG SER A 59 15.450 0.568 1.299 1.00 0.00 H new ATOM 874 N THR A 60 12.521 3.635 1.848 1.00 0.00 N ATOM 875 CA THR A 60 12.328 5.017 1.445 1.00 0.00 C ATOM 876 C THR A 60 13.577 5.548 0.740 1.00 0.00 C ATOM 877 O THR A 60 14.697 5.194 1.105 1.00 0.00 O ATOM 878 CB THR A 60 11.941 5.822 2.685 1.00 0.00 C ATOM 879 OG1 THR A 60 12.009 7.179 2.254 1.00 0.00 O ATOM 880 CG2 THR A 60 12.988 5.731 3.795 1.00 0.00 C ATOM 0 H THR A 60 13.121 3.510 2.663 1.00 0.00 H new ATOM 0 HA THR A 60 11.521 5.107 0.718 1.00 0.00 H new ATOM 0 HB THR A 60 10.982 5.466 3.062 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.089 7.766 3.034 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.662 6.321 4.652 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.109 4.691 4.096 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.940 6.116 3.430 1.00 0.00 H new ATOM 888 N THR A 61 13.343 6.391 -0.255 1.00 0.00 N ATOM 889 CA THR A 61 14.437 6.975 -1.014 1.00 0.00 C ATOM 890 C THR A 61 14.162 8.452 -1.295 1.00 0.00 C ATOM 891 O THR A 61 13.016 8.895 -1.241 1.00 0.00 O ATOM 892 CB THR A 61 14.631 6.141 -2.281 1.00 0.00 C ATOM 893 OG1 THR A 61 13.313 5.734 -2.635 1.00 0.00 O ATOM 894 CG2 THR A 61 15.369 4.828 -2.012 1.00 0.00 C ATOM 0 H THR A 61 12.413 6.684 -0.553 1.00 0.00 H new ATOM 0 HA THR A 61 15.368 6.953 -0.447 1.00 0.00 H new ATOM 0 HB THR A 61 15.186 6.724 -3.017 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.660 6.303 -2.176 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.480 4.275 -2.945 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.354 5.043 -1.598 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.799 4.230 -1.301 1.00 0.00 H new ATOM 902 N GLN A 62 15.232 9.178 -1.588 1.00 0.00 N ATOM 903 CA GLN A 62 15.119 10.597 -1.877 1.00 0.00 C ATOM 904 C GLN A 62 15.166 10.835 -3.387 1.00 0.00 C ATOM 905 O GLN A 62 16.137 10.465 -4.049 1.00 0.00 O ATOM 906 CB GLN A 62 16.216 11.390 -1.161 1.00 0.00 C ATOM 907 CG GLN A 62 16.037 12.894 -1.386 1.00 0.00 C ATOM 908 CD GLN A 62 17.310 13.657 -1.016 1.00 0.00 C ATOM 909 OE1 GLN A 62 17.975 13.367 -0.033 1.00 0.00 O ATOM 910 NE2 GLN A 62 17.612 14.644 -1.853 1.00 0.00 N ATOM 0 H GLN A 62 16.182 8.809 -1.631 1.00 0.00 H new ATOM 0 HA GLN A 62 14.158 10.950 -1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.190 11.172 -0.093 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.194 11.077 -1.526 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.786 13.082 -2.430 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.203 13.259 -0.787 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.012 14.833 -2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.443 15.213 -1.692 1.00 0.00 H new ATOM 919 N GLU A 63 14.107 11.453 -3.890 1.00 0.00 N ATOM 920 CA GLU A 63 14.015 11.745 -5.310 1.00 0.00 C ATOM 921 C GLU A 63 13.882 13.253 -5.533 1.00 0.00 C ATOM 922 O GLU A 63 12.888 13.717 -6.091 1.00 0.00 O ATOM 923 CB GLU A 63 12.848 10.991 -5.952 1.00 0.00 C ATOM 924 CG GLU A 63 13.305 9.634 -6.492 1.00 0.00 C ATOM 925 CD GLU A 63 12.989 9.503 -7.984 1.00 0.00 C ATOM 926 OE1 GLU A 63 11.833 9.252 -8.352 1.00 0.00 O ATOM 927 OE2 GLU A 63 13.996 9.677 -8.769 1.00 0.00 O ATOM 0 H GLU A 63 13.305 11.759 -3.339 1.00 0.00 H new ATOM 0 HA GLU A 63 14.932 11.405 -5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.055 10.846 -5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.427 11.586 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.377 9.517 -6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.811 8.834 -5.940 1.00 0.00 H new ATOM 935 N GLY A 64 14.897 13.979 -5.087 1.00 0.00 N ATOM 936 CA GLY A 64 14.907 15.424 -5.230 1.00 0.00 C ATOM 937 C GLY A 64 13.967 16.081 -4.218 1.00 0.00 C ATOM 938 O GLY A 64 14.304 16.200 -3.040 1.00 0.00 O ATOM 0 H GLY A 64 15.720 13.592 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.920 15.800 -5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.605 15.695 -6.242 1.00 0.00 H new ATOM 942 N GLU A 65 12.809 16.492 -4.713 1.00 0.00 N ATOM 943 CA GLU A 65 11.821 17.135 -3.865 1.00 0.00 C ATOM 944 C GLU A 65 10.712 16.146 -3.499 1.00 0.00 C ATOM 945 O GLU A 65 9.789 16.488 -2.759 1.00 0.00 O ATOM 946 CB GLU A 65 11.242 18.379 -4.543 1.00 0.00 C ATOM 947 CG GLU A 65 10.498 19.256 -3.534 1.00 0.00 C ATOM 948 CD GLU A 65 9.808 20.429 -4.232 1.00 0.00 C ATOM 949 OE1 GLU A 65 9.258 20.261 -5.333 1.00 0.00 O ATOM 950 OE2 GLU A 65 9.853 21.549 -3.595 1.00 0.00 O ATOM 0 H GLU A 65 12.533 16.392 -5.690 1.00 0.00 H new ATOM 0 HA GLU A 65 12.313 17.457 -2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.045 18.952 -5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.563 18.080 -5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.758 18.658 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.198 19.633 -2.788 1.00 0.00 H new ATOM 958 N LEU A 66 10.837 14.940 -4.034 1.00 0.00 N ATOM 959 CA LEU A 66 9.858 13.898 -3.772 1.00 0.00 C ATOM 960 C LEU A 66 10.505 12.793 -2.936 1.00 0.00 C ATOM 961 O LEU A 66 11.693 12.858 -2.626 1.00 0.00 O ATOM 962 CB LEU A 66 9.245 13.399 -5.084 1.00 0.00 C ATOM 963 CG LEU A 66 10.227 13.146 -6.228 1.00 0.00 C ATOM 964 CD1 LEU A 66 9.709 12.051 -7.163 1.00 0.00 C ATOM 965 CD2 LEU A 66 10.536 14.442 -6.981 1.00 0.00 C ATOM 0 H LEU A 66 11.602 14.661 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 66 9.027 14.293 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.707 12.473 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.508 14.129 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 66 11.164 12.789 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.426 11.891 -7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.580 11.125 -6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.752 12.356 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.237 14.235 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.614 14.851 -7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.977 15.165 -6.295 1.00 0.00 H new ATOM 977 N ALA A 67 9.695 11.803 -2.595 1.00 0.00 N ATOM 978 CA ALA A 67 10.173 10.685 -1.798 1.00 0.00 C ATOM 979 C ALA A 67 9.643 9.379 -2.394 1.00 0.00 C ATOM 980 O ALA A 67 8.432 9.187 -2.500 1.00 0.00 O ATOM 981 CB ALA A 67 9.749 10.877 -0.341 1.00 0.00 C ATOM 0 H ALA A 67 8.710 11.751 -2.856 1.00 0.00 H new ATOM 0 HA ALA A 67 11.262 10.638 -1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.108 10.038 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.175 11.804 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.662 10.926 -0.282 1.00 0.00 H new ATOM 987 N SER A 68 10.575 8.513 -2.763 1.00 0.00 N ATOM 988 CA SER A 68 10.218 7.229 -3.344 1.00 0.00 C ATOM 989 C SER A 68 10.354 6.125 -2.294 1.00 0.00 C ATOM 990 O SER A 68 11.443 5.887 -1.777 1.00 0.00 O ATOM 991 CB SER A 68 11.088 6.915 -4.563 1.00 0.00 C ATOM 992 OG SER A 68 10.624 5.766 -5.266 1.00 0.00 O ATOM 0 H SER A 68 11.578 8.675 -2.671 1.00 0.00 H new ATOM 0 HA SER A 68 9.181 7.279 -3.676 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.095 7.773 -5.235 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.117 6.753 -4.242 1.00 0.00 H new ATOM 0 HG SER A 68 11.204 5.599 -6.038 1.00 0.00 H new ATOM 998 N THR A 69 9.231 5.478 -2.013 1.00 0.00 N ATOM 999 CA THR A 69 9.211 4.406 -1.036 1.00 0.00 C ATOM 1000 C THR A 69 8.662 3.122 -1.663 1.00 0.00 C ATOM 1001 O THR A 69 7.488 3.062 -2.030 1.00 0.00 O ATOM 1002 CB THR A 69 8.408 4.883 0.175 1.00 0.00 C ATOM 1003 OG1 THR A 69 9.400 5.322 1.100 1.00 0.00 O ATOM 1004 CG2 THR A 69 7.705 3.734 0.901 1.00 0.00 C ATOM 0 H THR A 69 8.329 5.677 -2.446 1.00 0.00 H new ATOM 0 HA THR A 69 10.218 4.160 -0.699 1.00 0.00 H new ATOM 0 HB THR A 69 7.668 5.616 -0.147 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.194 6.234 1.392 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.149 4.127 1.752 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.017 3.238 0.217 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.447 3.017 1.252 1.00 0.00 H new ATOM 1012 N GLN A 70 9.534 2.131 -1.766 1.00 0.00 N ATOM 1013 CA GLN A 70 9.150 0.854 -2.343 1.00 0.00 C ATOM 1014 C GLN A 70 8.810 -0.148 -1.237 1.00 0.00 C ATOM 1015 O GLN A 70 9.616 -0.380 -0.336 1.00 0.00 O ATOM 1016 CB GLN A 70 10.249 0.310 -3.256 1.00 0.00 C ATOM 1017 CG GLN A 70 11.624 0.448 -2.597 1.00 0.00 C ATOM 1018 CD GLN A 70 12.666 -0.410 -3.319 1.00 0.00 C ATOM 1019 OE1 GLN A 70 12.831 -0.346 -4.527 1.00 0.00 O ATOM 1020 NE2 GLN A 70 13.358 -1.213 -2.515 1.00 0.00 N ATOM 0 H GLN A 70 10.505 2.186 -1.460 1.00 0.00 H new ATOM 0 HA GLN A 70 8.260 1.008 -2.954 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.053 -0.738 -3.483 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.240 0.848 -4.204 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.935 1.493 -2.611 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.562 0.148 -1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.169 -1.217 -1.513 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.077 -1.825 -2.901 1.00 0.00 H new ATOM 1029 N SER A 71 7.617 -0.713 -1.340 1.00 0.00 N ATOM 1030 CA SER A 71 7.162 -1.684 -0.360 1.00 0.00 C ATOM 1031 C SER A 71 7.228 -3.095 -0.950 1.00 0.00 C ATOM 1032 O SER A 71 7.111 -3.272 -2.161 1.00 0.00 O ATOM 1033 CB SER A 71 5.737 -1.372 0.105 1.00 0.00 C ATOM 1034 OG SER A 71 5.447 0.020 0.034 1.00 0.00 O ATOM 0 H SER A 71 6.951 -0.517 -2.087 1.00 0.00 H new ATOM 0 HA SER A 71 7.820 -1.627 0.507 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.026 -1.923 -0.511 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.606 -1.718 1.130 1.00 0.00 H new ATOM 0 HG SER A 71 4.529 0.179 0.337 1.00 0.00 H new ATOM 1040 N GLU A 72 7.418 -4.064 -0.066 1.00 0.00 N ATOM 1041 CA GLU A 72 7.503 -5.453 -0.483 1.00 0.00 C ATOM 1042 C GLU A 72 6.833 -6.360 0.551 1.00 0.00 C ATOM 1043 O GLU A 72 6.729 -6.001 1.724 1.00 0.00 O ATOM 1044 CB GLU A 72 8.957 -5.867 -0.715 1.00 0.00 C ATOM 1045 CG GLU A 72 9.845 -4.644 -0.949 1.00 0.00 C ATOM 1046 CD GLU A 72 11.241 -5.063 -1.418 1.00 0.00 C ATOM 1047 OE1 GLU A 72 11.822 -6.009 -0.867 1.00 0.00 O ATOM 1048 OE2 GLU A 72 11.720 -4.366 -2.392 1.00 0.00 O ATOM 0 H GLU A 72 7.516 -3.914 0.938 1.00 0.00 H new ATOM 0 HA GLU A 72 6.973 -5.561 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.322 -6.426 0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.016 -6.534 -1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.387 -3.994 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.925 -4.066 -0.028 1.00 0.00 H new ATOM 1056 N LEU A 73 6.392 -7.516 0.079 1.00 0.00 N ATOM 1057 CA LEU A 73 5.734 -8.479 0.947 1.00 0.00 C ATOM 1058 C LEU A 73 6.297 -9.874 0.677 1.00 0.00 C ATOM 1059 O LEU A 73 6.607 -10.212 -0.465 1.00 0.00 O ATOM 1060 CB LEU A 73 4.214 -8.389 0.792 1.00 0.00 C ATOM 1061 CG LEU A 73 3.400 -9.425 1.566 1.00 0.00 C ATOM 1062 CD1 LEU A 73 3.912 -9.569 3.000 1.00 0.00 C ATOM 1063 CD2 LEU A 73 1.906 -9.090 1.524 1.00 0.00 C ATOM 0 H LEU A 73 6.477 -7.809 -0.894 1.00 0.00 H new ATOM 0 HA LEU A 73 5.940 -8.250 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.895 -7.396 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.970 -8.481 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 73 3.530 -10.392 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.314 -10.313 3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.955 -9.887 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.833 -8.610 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.349 -9.842 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.740 -8.110 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.565 -9.079 0.489 1.00 0.00 H new ATOM 1075 N THR A 74 6.417 -10.647 1.746 1.00 0.00 N ATOM 1076 CA THR A 74 6.940 -11.999 1.637 1.00 0.00 C ATOM 1077 C THR A 74 6.182 -12.940 2.576 1.00 0.00 C ATOM 1078 O THR A 74 6.221 -12.770 3.793 1.00 0.00 O ATOM 1079 CB THR A 74 8.443 -11.948 1.910 1.00 0.00 C ATOM 1080 OG1 THR A 74 8.782 -13.294 2.235 1.00 0.00 O ATOM 1081 CG2 THR A 74 8.783 -11.162 3.177 1.00 0.00 C ATOM 0 H THR A 74 6.161 -10.363 2.692 1.00 0.00 H new ATOM 0 HA THR A 74 6.792 -12.402 0.635 1.00 0.00 H new ATOM 0 HB THR A 74 8.951 -11.498 1.057 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.742 -13.353 2.425 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.863 -11.157 3.323 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.426 -10.137 3.076 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.302 -11.631 4.036 1.00 0.00 H new ATOM 1089 N LEU A 75 5.510 -13.911 1.976 1.00 0.00 N ATOM 1090 CA LEU A 75 4.746 -14.879 2.743 1.00 0.00 C ATOM 1091 C LEU A 75 4.815 -16.242 2.050 1.00 0.00 C ATOM 1092 O LEU A 75 5.100 -16.324 0.857 1.00 0.00 O ATOM 1093 CB LEU A 75 3.318 -14.376 2.968 1.00 0.00 C ATOM 1094 CG LEU A 75 2.208 -15.192 2.303 1.00 0.00 C ATOM 1095 CD1 LEU A 75 1.666 -16.260 3.253 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.099 -14.278 1.775 1.00 0.00 C ATOM 0 H LEU A 75 5.479 -14.048 0.966 1.00 0.00 H new ATOM 0 HA LEU A 75 5.177 -15.004 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.128 -14.348 4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.254 -13.350 2.606 1.00 0.00 H new ATOM 0 HG LEU A 75 2.634 -15.713 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.878 -16.825 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.472 -16.936 3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.261 -15.782 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.322 -14.882 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.670 -13.712 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.515 -13.589 1.040 1.00 0.00 H new ATOM 1108 N SER A 76 4.553 -17.280 2.832 1.00 0.00 N ATOM 1109 CA SER A 76 4.581 -18.635 2.309 1.00 0.00 C ATOM 1110 C SER A 76 3.306 -18.917 1.515 1.00 0.00 C ATOM 1111 O SER A 76 2.209 -18.565 1.947 1.00 0.00 O ATOM 1112 CB SER A 76 4.741 -19.657 3.437 1.00 0.00 C ATOM 1113 OG SER A 76 4.686 -20.997 2.957 1.00 0.00 O ATOM 0 H SER A 76 4.321 -17.209 3.823 1.00 0.00 H new ATOM 0 HA SER A 76 5.441 -18.727 1.646 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.692 -19.492 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.956 -19.505 4.178 1.00 0.00 H new ATOM 0 HG SER A 76 4.794 -21.618 3.707 1.00 0.00 H new ATOM 1119 N GLN A 77 3.493 -19.550 0.364 1.00 0.00 N ATOM 1120 CA GLN A 77 2.369 -19.884 -0.495 1.00 0.00 C ATOM 1121 C GLN A 77 1.378 -20.780 0.249 1.00 0.00 C ATOM 1122 O GLN A 77 0.170 -20.682 0.043 1.00 0.00 O ATOM 1123 CB GLN A 77 2.846 -20.549 -1.787 1.00 0.00 C ATOM 1124 CG GLN A 77 2.480 -19.702 -3.009 1.00 0.00 C ATOM 1125 CD GLN A 77 1.763 -20.547 -4.064 1.00 0.00 C ATOM 1126 OE1 GLN A 77 2.051 -21.716 -4.265 1.00 0.00 O ATOM 1127 NE2 GLN A 77 0.814 -19.890 -4.726 1.00 0.00 N ATOM 0 H GLN A 77 4.404 -19.839 0.008 1.00 0.00 H new ATOM 0 HA GLN A 77 1.858 -18.960 -0.767 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.926 -20.691 -1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.397 -21.538 -1.878 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.840 -18.874 -2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.382 -19.266 -3.438 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.624 -18.912 -4.508 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.277 -20.364 -5.452 1.00 0.00 H new ATOM 1136 N LYS A 78 1.926 -21.634 1.103 1.00 0.00 N ATOM 1137 CA LYS A 78 1.105 -22.546 1.878 1.00 0.00 C ATOM 1138 C LYS A 78 0.028 -21.751 2.621 1.00 0.00 C ATOM 1139 O LYS A 78 -1.155 -22.081 2.542 1.00 0.00 O ATOM 1140 CB LYS A 78 1.978 -23.403 2.798 1.00 0.00 C ATOM 1141 CG LYS A 78 1.277 -24.717 3.153 1.00 0.00 C ATOM 1142 CD LYS A 78 2.171 -25.594 4.029 1.00 0.00 C ATOM 1143 CE LYS A 78 1.804 -27.071 3.882 1.00 0.00 C ATOM 1144 NZ LYS A 78 0.822 -27.468 4.917 1.00 0.00 N ATOM 0 H LYS A 78 2.929 -21.712 1.274 1.00 0.00 H new ATOM 0 HA LYS A 78 0.590 -23.246 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.929 -23.615 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.204 -22.850 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.344 -24.506 3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.017 -25.253 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.215 -25.446 3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.072 -25.293 5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.389 -27.251 2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.701 -27.685 3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.584 -28.474 4.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.231 -27.314 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.040 -26.895 4.816 1.00 0.00 H new ATOM 1158 N HIS A 79 0.476 -20.722 3.322 1.00 0.00 N ATOM 1159 CA HIS A 79 -0.436 -19.878 4.076 1.00 0.00 C ATOM 1160 C HIS A 79 -1.503 -19.307 3.140 1.00 0.00 C ATOM 1161 O HIS A 79 -2.668 -19.193 3.517 1.00 0.00 O ATOM 1162 CB HIS A 79 0.331 -18.791 4.832 1.00 0.00 C ATOM 1163 CG HIS A 79 0.569 -19.107 6.292 1.00 0.00 C ATOM 1164 ND1 HIS A 79 0.079 -18.318 7.318 1.00 0.00 N ATOM 1165 CD2 HIS A 79 1.243 -20.133 6.882 1.00 0.00 C ATOM 1166 CE1 HIS A 79 0.451 -18.855 8.471 1.00 0.00 C ATOM 1167 NE2 HIS A 79 1.174 -19.980 8.197 1.00 0.00 N ATOM 0 H HIS A 79 1.458 -20.453 3.385 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.948 -20.475 4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.293 -18.633 4.344 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.221 -17.854 4.759 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.748 -20.936 6.366 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.222 -18.470 9.454 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.592 -20.601 8.890 1.00 0.00 H new ATOM 1175 N TRP A 80 -1.066 -18.965 1.938 1.00 0.00 N ATOM 1176 CA TRP A 80 -1.969 -18.410 0.942 1.00 0.00 C ATOM 1177 C TRP A 80 -3.063 -19.442 0.668 1.00 0.00 C ATOM 1178 O TRP A 80 -4.208 -19.083 0.402 1.00 0.00 O ATOM 1179 CB TRP A 80 -1.207 -17.995 -0.319 1.00 0.00 C ATOM 1180 CG TRP A 80 -2.092 -17.384 -1.408 1.00 0.00 C ATOM 1181 CD1 TRP A 80 -2.965 -18.011 -2.210 1.00 0.00 C ATOM 1182 CD2 TRP A 80 -2.157 -15.992 -1.782 1.00 0.00 C ATOM 1183 NE1 TRP A 80 -3.584 -17.126 -3.070 1.00 0.00 N ATOM 1184 CE2 TRP A 80 -3.076 -15.861 -2.803 1.00 0.00 C ATOM 1185 CE3 TRP A 80 -1.459 -14.880 -1.276 1.00 0.00 C ATOM 1186 CZ2 TRP A 80 -3.385 -14.635 -3.405 1.00 0.00 C ATOM 1187 CZ3 TRP A 80 -1.777 -13.662 -1.889 1.00 0.00 C ATOM 1188 CH2 TRP A 80 -2.701 -13.514 -2.917 1.00 0.00 C ATOM 0 H TRP A 80 -0.098 -19.061 1.630 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.437 -17.498 1.312 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -0.436 -17.275 -0.045 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.697 -18.868 -0.727 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.159 -19.073 -2.186 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -4.286 -17.358 -3.773 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.735 -14.960 -0.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -4.110 -14.558 -4.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.269 -12.776 -1.539 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.891 -12.538 -3.338 1.00 0.00 H new ATOM 1199 N LEU A 81 -2.670 -20.706 0.741 1.00 0.00 N ATOM 1200 CA LEU A 81 -3.604 -21.794 0.503 1.00 0.00 C ATOM 1201 C LEU A 81 -4.672 -21.794 1.600 1.00 0.00 C ATOM 1202 O LEU A 81 -5.845 -22.044 1.329 1.00 0.00 O ATOM 1203 CB LEU A 81 -2.856 -23.123 0.374 1.00 0.00 C ATOM 1204 CG LEU A 81 -2.978 -23.832 -0.977 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -2.195 -25.148 -0.978 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -4.444 -24.038 -1.359 1.00 0.00 C ATOM 0 H LEU A 81 -1.719 -21.001 0.961 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.121 -21.651 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.800 -22.944 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.217 -23.798 1.150 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.534 -23.192 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.298 -25.632 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.142 -24.945 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.587 -25.805 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.501 -24.544 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.936 -24.647 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.942 -23.071 -1.427 1.00 0.00 H new ATOM 1218 N SER A 82 -4.224 -21.512 2.815 1.00 0.00 N ATOM 1219 CA SER A 82 -5.126 -21.476 3.954 1.00 0.00 C ATOM 1220 C SER A 82 -5.891 -20.150 3.974 1.00 0.00 C ATOM 1221 O SER A 82 -6.596 -19.852 4.936 1.00 0.00 O ATOM 1222 CB SER A 82 -4.365 -21.669 5.266 1.00 0.00 C ATOM 1223 OG SER A 82 -5.060 -22.526 6.168 1.00 0.00 O ATOM 0 H SER A 82 -3.249 -21.307 3.035 1.00 0.00 H new ATOM 0 HA SER A 82 -5.836 -22.297 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.381 -22.087 5.055 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.205 -20.700 5.738 1.00 0.00 H new ATOM 0 HG SER A 82 -4.540 -22.624 6.993 1.00 0.00 H new ATOM 1229 N ASP A 83 -5.726 -19.393 2.901 1.00 0.00 N ATOM 1230 CA ASP A 83 -6.392 -18.107 2.781 1.00 0.00 C ATOM 1231 C ASP A 83 -5.786 -17.128 3.787 1.00 0.00 C ATOM 1232 O ASP A 83 -5.336 -17.534 4.860 1.00 0.00 O ATOM 1233 CB ASP A 83 -7.887 -18.231 3.084 1.00 0.00 C ATOM 1234 CG ASP A 83 -8.495 -17.045 3.835 1.00 0.00 C ATOM 1235 OD1 ASP A 83 -9.005 -16.095 3.224 1.00 0.00 O ATOM 1236 OD2 ASP A 83 -8.431 -17.122 5.122 1.00 0.00 O ATOM 0 H ASP A 83 -5.140 -19.645 2.105 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.259 -17.752 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.423 -18.360 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.050 -19.135 3.671 1.00 0.00 H new ATOM 1242 N ARG A 84 -5.792 -15.859 3.410 1.00 0.00 N ATOM 1243 CA ARG A 84 -5.248 -14.819 4.266 1.00 0.00 C ATOM 1244 C ARG A 84 -5.591 -13.438 3.707 1.00 0.00 C ATOM 1245 O ARG A 84 -6.211 -13.328 2.650 1.00 0.00 O ATOM 1246 CB ARG A 84 -3.728 -14.948 4.390 1.00 0.00 C ATOM 1247 CG ARG A 84 -3.215 -14.221 5.636 1.00 0.00 C ATOM 1248 CD ARG A 84 -2.056 -14.986 6.280 1.00 0.00 C ATOM 1249 NE ARG A 84 -0.831 -14.822 5.467 1.00 0.00 N ATOM 1250 CZ ARG A 84 -0.184 -13.650 5.302 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -0.641 -12.524 5.890 1.00 0.00 N ATOM 1252 NH2 ARG A 84 0.905 -13.621 4.554 1.00 0.00 N ATOM 0 H ARG A 84 -6.166 -15.526 2.521 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.694 -14.936 5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.452 -16.001 4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.251 -14.535 3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.887 -13.217 5.366 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.026 -14.109 6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.884 -14.618 7.291 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.309 -16.043 6.364 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.452 -15.647 5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.483 -12.555 6.465 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.145 -11.643 5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.243 -14.476 4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.407 -12.744 4.418 1.00 0.00 H new ATOM 1266 N THR A 85 -5.172 -12.417 4.441 1.00 0.00 N ATOM 1267 CA THR A 85 -5.428 -11.048 4.034 1.00 0.00 C ATOM 1268 C THR A 85 -4.149 -10.213 4.128 1.00 0.00 C ATOM 1269 O THR A 85 -3.791 -9.740 5.207 1.00 0.00 O ATOM 1270 CB THR A 85 -6.572 -10.502 4.892 1.00 0.00 C ATOM 1271 OG1 THR A 85 -7.750 -10.869 4.174 1.00 0.00 O ATOM 1272 CG2 THR A 85 -6.611 -8.973 4.915 1.00 0.00 C ATOM 0 H THR A 85 -4.656 -12.512 5.316 1.00 0.00 H new ATOM 0 HA THR A 85 -5.735 -11.000 2.989 1.00 0.00 H new ATOM 0 HB THR A 85 -6.472 -10.877 5.911 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.541 -10.555 4.661 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.441 -8.640 5.538 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.675 -8.591 5.323 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.745 -8.597 3.901 1.00 0.00 H new ATOM 1280 N TYR A 86 -3.495 -10.060 2.986 1.00 0.00 N ATOM 1281 CA TYR A 86 -2.262 -9.292 2.929 1.00 0.00 C ATOM 1282 C TYR A 86 -2.444 -8.027 2.087 1.00 0.00 C ATOM 1283 O TYR A 86 -2.759 -8.107 0.899 1.00 0.00 O ATOM 1284 CB TYR A 86 -1.234 -10.198 2.248 1.00 0.00 C ATOM 1285 CG TYR A 86 -1.818 -11.499 1.695 1.00 0.00 C ATOM 1286 CD1 TYR A 86 -2.683 -11.463 0.621 1.00 0.00 C ATOM 1287 CD2 TYR A 86 -1.481 -12.708 2.269 1.00 0.00 C ATOM 1288 CE1 TYR A 86 -3.235 -12.687 0.099 1.00 0.00 C ATOM 1289 CE2 TYR A 86 -2.031 -13.933 1.748 1.00 0.00 C ATOM 1290 CZ TYR A 86 -2.881 -13.860 0.688 1.00 0.00 C ATOM 1291 OH TYR A 86 -3.401 -15.016 0.194 1.00 0.00 O ATOM 0 H TYR A 86 -3.795 -10.454 2.094 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.953 -8.985 3.928 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.764 -9.648 1.433 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.448 -10.440 2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.946 -10.517 0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.804 -12.736 3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.914 -12.673 -0.741 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.775 -14.886 2.188 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.409 -14.979 -0.785 1.00 0.00 H new ATOM 1301 N THR A 87 -2.235 -6.889 2.733 1.00 0.00 N ATOM 1302 CA THR A 87 -2.373 -5.609 2.059 1.00 0.00 C ATOM 1303 C THR A 87 -1.262 -4.653 2.502 1.00 0.00 C ATOM 1304 O THR A 87 -0.886 -4.633 3.671 1.00 0.00 O ATOM 1305 CB THR A 87 -3.779 -5.078 2.335 1.00 0.00 C ATOM 1306 OG1 THR A 87 -4.581 -6.253 2.432 1.00 0.00 O ATOM 1307 CG2 THR A 87 -4.365 -4.326 1.138 1.00 0.00 C ATOM 0 H THR A 87 -1.971 -6.827 3.716 1.00 0.00 H new ATOM 0 HA THR A 87 -2.258 -5.714 0.980 1.00 0.00 H new ATOM 0 HB THR A 87 -3.755 -4.419 3.203 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.511 -6.001 2.612 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.365 -3.970 1.386 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.727 -3.477 0.894 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.421 -4.996 0.280 1.00 0.00 H new ATOM 1315 N CYS A 88 -0.772 -3.884 1.541 1.00 0.00 N ATOM 1316 CA CYS A 88 0.286 -2.925 1.819 1.00 0.00 C ATOM 1317 C CYS A 88 -0.358 -1.567 2.106 1.00 0.00 C ATOM 1318 O CYS A 88 -0.741 -0.852 1.183 1.00 0.00 O ATOM 1319 CB CYS A 88 1.293 -2.848 0.668 1.00 0.00 C ATOM 1320 SG CYS A 88 0.621 -2.177 -0.895 1.00 0.00 S ATOM 0 H CYS A 88 -1.086 -3.904 0.571 1.00 0.00 H new ATOM 0 HA CYS A 88 0.853 -3.247 2.692 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.134 -2.229 0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.685 -3.847 0.479 1.00 0.00 H new ATOM 1325 N GLN A 89 -0.456 -1.257 3.390 1.00 0.00 N ATOM 1326 CA GLN A 89 -1.046 0.003 3.811 1.00 0.00 C ATOM 1327 C GLN A 89 0.044 1.055 4.024 1.00 0.00 C ATOM 1328 O GLN A 89 0.763 1.017 5.022 1.00 0.00 O ATOM 1329 CB GLN A 89 -1.885 -0.182 5.077 1.00 0.00 C ATOM 1330 CG GLN A 89 -2.434 1.159 5.571 1.00 0.00 C ATOM 1331 CD GLN A 89 -2.850 1.073 7.040 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -3.482 0.128 7.482 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -2.456 2.110 7.775 1.00 0.00 N ATOM 0 H GLN A 89 -0.137 -1.855 4.152 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.711 0.353 3.021 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.710 -0.865 4.874 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.277 -0.640 5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.677 1.933 5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.290 1.452 4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.929 2.870 7.344 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.681 2.145 8.769 1.00 0.00 H new ATOM 1342 N VAL A 90 0.131 1.971 3.070 1.00 0.00 N ATOM 1343 CA VAL A 90 1.122 3.032 3.141 1.00 0.00 C ATOM 1344 C VAL A 90 0.454 4.314 3.646 1.00 0.00 C ATOM 1345 O VAL A 90 -0.500 4.801 3.040 1.00 0.00 O ATOM 1346 CB VAL A 90 1.800 3.207 1.780 1.00 0.00 C ATOM 1347 CG1 VAL A 90 1.444 4.561 1.161 1.00 0.00 C ATOM 1348 CG2 VAL A 90 3.316 3.040 1.899 1.00 0.00 C ATOM 0 H VAL A 90 -0.468 2.000 2.245 1.00 0.00 H new ATOM 0 HA VAL A 90 1.909 2.774 3.850 1.00 0.00 H new ATOM 0 HB VAL A 90 1.428 2.427 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.938 4.661 0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.365 4.626 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.775 5.362 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.774 3.169 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.712 3.788 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.544 2.044 2.278 1.00 0.00 H new ATOM 1358 N THR A 91 0.982 4.824 4.749 1.00 0.00 N ATOM 1359 CA THR A 91 0.449 6.038 5.342 1.00 0.00 C ATOM 1360 C THR A 91 1.231 7.257 4.849 1.00 0.00 C ATOM 1361 O THR A 91 2.304 7.118 4.267 1.00 0.00 O ATOM 1362 CB THR A 91 0.475 5.875 6.864 1.00 0.00 C ATOM 1363 OG1 THR A 91 -0.901 5.798 7.227 1.00 0.00 O ATOM 1364 CG2 THR A 91 0.982 7.127 7.579 1.00 0.00 C ATOM 0 H THR A 91 1.774 4.418 5.248 1.00 0.00 H new ATOM 0 HA THR A 91 -0.584 6.206 5.038 1.00 0.00 H new ATOM 0 HB THR A 91 1.108 5.028 7.128 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.978 5.690 8.198 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.980 6.957 8.656 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.997 7.349 7.249 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.331 7.969 7.343 1.00 0.00 H new ATOM 1372 N TYR A 92 0.659 8.426 5.100 1.00 0.00 N ATOM 1373 CA TYR A 92 1.288 9.672 4.690 1.00 0.00 C ATOM 1374 C TYR A 92 1.251 10.704 5.819 1.00 0.00 C ATOM 1375 O TYR A 92 0.410 10.621 6.712 1.00 0.00 O ATOM 1376 CB TYR A 92 0.465 10.191 3.511 1.00 0.00 C ATOM 1377 CG TYR A 92 0.667 9.406 2.214 1.00 0.00 C ATOM 1378 CD1 TYR A 92 0.160 8.126 2.098 1.00 0.00 C ATOM 1379 CD2 TYR A 92 1.354 9.973 1.163 1.00 0.00 C ATOM 1380 CE1 TYR A 92 0.350 7.385 0.877 1.00 0.00 C ATOM 1381 CE2 TYR A 92 1.545 9.233 -0.056 1.00 0.00 C ATOM 1382 CZ TYR A 92 1.034 7.975 -0.139 1.00 0.00 C ATOM 1383 OH TYR A 92 1.212 7.275 -1.293 1.00 0.00 O ATOM 0 H TYR A 92 -0.233 8.537 5.582 1.00 0.00 H new ATOM 0 HA TYR A 92 2.333 9.507 4.429 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.591 10.163 3.779 1.00 0.00 H new ATOM 0 HB3 TYR A 92 0.722 11.236 3.335 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.378 7.681 2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 92 1.750 10.974 1.254 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.042 6.384 0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.082 9.667 -0.887 1.00 0.00 H new ATOM 0 HH TYR A 92 1.860 7.741 -1.862 1.00 0.00 H new ATOM 1393 N GLN A 93 2.173 11.653 5.741 1.00 0.00 N ATOM 1394 CA GLN A 93 2.254 12.700 6.745 1.00 0.00 C ATOM 1395 C GLN A 93 0.877 13.321 6.978 1.00 0.00 C ATOM 1396 O GLN A 93 0.630 13.919 8.024 1.00 0.00 O ATOM 1397 CB GLN A 93 3.276 13.764 6.342 1.00 0.00 C ATOM 1398 CG GLN A 93 3.029 14.249 4.912 1.00 0.00 C ATOM 1399 CD GLN A 93 3.631 15.639 4.691 1.00 0.00 C ATOM 1400 OE1 GLN A 93 4.692 15.797 4.108 1.00 0.00 O ATOM 1401 NE2 GLN A 93 2.899 16.631 5.189 1.00 0.00 N ATOM 0 H GLN A 93 2.869 11.718 4.999 1.00 0.00 H new ATOM 0 HA GLN A 93 2.591 12.255 7.681 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.219 14.607 7.031 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.283 13.355 6.422 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.465 13.544 4.205 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.957 14.277 4.714 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.020 16.427 5.665 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.216 17.596 5.095 1.00 0.00 H new ATOM 1410 N GLY A 94 0.014 13.160 5.984 1.00 0.00 N ATOM 1411 CA GLY A 94 -1.334 13.696 6.068 1.00 0.00 C ATOM 1412 C GLY A 94 -2.282 12.947 5.132 1.00 0.00 C ATOM 1413 O GLY A 94 -3.195 13.542 4.559 1.00 0.00 O ATOM 0 H GLY A 94 0.223 12.666 5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.696 13.621 7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.325 14.755 5.810 1.00 0.00 H new ATOM 1417 N HIS A 95 -2.034 11.651 5.004 1.00 0.00 N ATOM 1418 CA HIS A 95 -2.856 10.814 4.147 1.00 0.00 C ATOM 1419 C HIS A 95 -2.639 9.343 4.507 1.00 0.00 C ATOM 1420 O HIS A 95 -1.832 9.027 5.380 1.00 0.00 O ATOM 1421 CB HIS A 95 -2.580 11.109 2.671 1.00 0.00 C ATOM 1422 CG HIS A 95 -3.797 11.003 1.786 1.00 0.00 C ATOM 1423 ND1 HIS A 95 -4.926 11.787 1.962 1.00 0.00 N ATOM 1424 CD2 HIS A 95 -4.051 10.199 0.713 1.00 0.00 C ATOM 1425 CE1 HIS A 95 -5.810 11.458 1.034 1.00 0.00 C ATOM 1426 NE2 HIS A 95 -5.269 10.474 0.262 1.00 0.00 N ATOM 0 H HIS A 95 -1.276 11.161 5.479 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.909 11.042 4.312 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.166 12.113 2.583 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.819 10.418 2.309 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.376 9.464 0.301 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -6.790 11.894 0.910 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -5.725 10.023 -0.531 1.00 0.00 H new ATOM 1434 N THR A 96 -3.374 8.483 3.818 1.00 0.00 N ATOM 1435 CA THR A 96 -3.274 7.052 4.054 1.00 0.00 C ATOM 1436 C THR A 96 -3.834 6.275 2.862 1.00 0.00 C ATOM 1437 O THR A 96 -4.696 6.773 2.142 1.00 0.00 O ATOM 1438 CB THR A 96 -3.983 6.739 5.372 1.00 0.00 C ATOM 1439 OG1 THR A 96 -3.708 5.359 5.596 1.00 0.00 O ATOM 1440 CG2 THR A 96 -5.507 6.801 5.245 1.00 0.00 C ATOM 0 H THR A 96 -4.042 8.750 3.095 1.00 0.00 H new ATOM 0 HA THR A 96 -2.234 6.738 4.146 1.00 0.00 H new ATOM 0 HB THR A 96 -3.654 7.442 6.137 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.860 5.269 6.078 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.962 6.571 6.208 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.806 7.802 4.932 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.840 6.075 4.504 1.00 0.00 H new ATOM 1448 N PHE A 97 -3.318 5.065 2.693 1.00 0.00 N ATOM 1449 CA PHE A 97 -3.757 4.212 1.600 1.00 0.00 C ATOM 1450 C PHE A 97 -3.388 2.750 1.863 1.00 0.00 C ATOM 1451 O PHE A 97 -2.488 2.467 2.652 1.00 0.00 O ATOM 1452 CB PHE A 97 -3.031 4.691 0.340 1.00 0.00 C ATOM 1453 CG PHE A 97 -3.046 3.679 -0.808 1.00 0.00 C ATOM 1454 CD1 PHE A 97 -2.187 2.625 -0.795 1.00 0.00 C ATOM 1455 CD2 PHE A 97 -3.917 3.835 -1.841 1.00 0.00 C ATOM 1456 CE1 PHE A 97 -2.201 1.687 -1.861 1.00 0.00 C ATOM 1457 CE2 PHE A 97 -3.931 2.896 -2.906 1.00 0.00 C ATOM 1458 CZ PHE A 97 -3.071 1.841 -2.893 1.00 0.00 C ATOM 0 H PHE A 97 -2.602 4.656 3.293 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.840 4.271 1.493 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.490 5.619 -0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.996 4.922 0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.495 2.501 0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.598 4.673 -1.851 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.519 0.850 -1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.623 3.019 -3.726 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.080 1.127 -3.703 1.00 0.00 H new ATOM 1468 N GLU A 98 -4.101 1.863 1.187 1.00 0.00 N ATOM 1469 CA GLU A 98 -3.860 0.438 1.336 1.00 0.00 C ATOM 1470 C GLU A 98 -4.341 -0.316 0.094 1.00 0.00 C ATOM 1471 O GLU A 98 -5.445 -0.083 -0.387 1.00 0.00 O ATOM 1472 CB GLU A 98 -4.534 -0.102 2.599 1.00 0.00 C ATOM 1473 CG GLU A 98 -4.341 -1.615 2.720 1.00 0.00 C ATOM 1474 CD GLU A 98 -5.591 -2.281 3.295 1.00 0.00 C ATOM 1475 OE1 GLU A 98 -6.599 -2.429 2.588 1.00 0.00 O ATOM 1476 OE2 GLU A 98 -5.491 -2.658 4.526 1.00 0.00 O ATOM 0 H GLU A 98 -4.847 2.103 0.534 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.786 0.280 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.118 0.392 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.598 0.132 2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.118 -2.037 1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.485 -1.826 3.360 1.00 0.00 H new ATOM 1484 N ASP A 99 -3.482 -1.203 -0.386 1.00 0.00 N ATOM 1485 CA ASP A 99 -3.803 -1.993 -1.563 1.00 0.00 C ATOM 1486 C ASP A 99 -2.944 -3.258 -1.575 1.00 0.00 C ATOM 1487 O ASP A 99 -1.729 -3.188 -1.399 1.00 0.00 O ATOM 1488 CB ASP A 99 -3.514 -1.214 -2.846 1.00 0.00 C ATOM 1489 CG ASP A 99 -4.729 -0.525 -3.473 1.00 0.00 C ATOM 1490 OD1 ASP A 99 -5.515 0.137 -2.782 1.00 0.00 O ATOM 1491 OD2 ASP A 99 -4.851 -0.690 -4.748 1.00 0.00 O ATOM 0 H ASP A 99 -2.565 -1.392 0.018 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.864 -2.240 -1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.758 -0.459 -2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.084 -1.897 -3.579 1.00 0.00 H new ATOM 1497 N SER A 100 -3.609 -4.384 -1.783 1.00 0.00 N ATOM 1498 CA SER A 100 -2.922 -5.665 -1.817 1.00 0.00 C ATOM 1499 C SER A 100 -3.883 -6.763 -2.271 1.00 0.00 C ATOM 1500 O SER A 100 -4.735 -6.536 -3.129 1.00 0.00 O ATOM 1501 CB SER A 100 -2.326 -6.010 -0.452 1.00 0.00 C ATOM 1502 OG SER A 100 -1.361 -7.053 -0.537 1.00 0.00 O ATOM 0 H SER A 100 -4.617 -4.437 -1.930 1.00 0.00 H new ATOM 0 HA SER A 100 -2.102 -5.592 -2.531 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.862 -5.121 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.125 -6.310 0.226 1.00 0.00 H new ATOM 0 HG SER A 100 -1.640 -7.804 0.028 1.00 0.00 H new ATOM 1508 N THR A 101 -3.718 -7.935 -1.674 1.00 0.00 N ATOM 1509 CA THR A 101 -4.562 -9.070 -2.005 1.00 0.00 C ATOM 1510 C THR A 101 -5.035 -9.773 -0.731 1.00 0.00 C ATOM 1511 O THR A 101 -4.752 -9.315 0.375 1.00 0.00 O ATOM 1512 CB THR A 101 -3.776 -9.985 -2.946 1.00 0.00 C ATOM 1513 OG1 THR A 101 -4.609 -11.130 -3.096 1.00 0.00 O ATOM 1514 CG2 THR A 101 -2.501 -10.534 -2.301 1.00 0.00 C ATOM 0 H THR A 101 -3.012 -8.122 -0.963 1.00 0.00 H new ATOM 0 HA THR A 101 -5.469 -8.751 -2.519 1.00 0.00 H new ATOM 0 HB THR A 101 -3.517 -9.436 -3.851 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.586 -11.431 -4.028 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.982 -11.177 -3.012 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.851 -9.706 -2.018 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.761 -11.110 -1.413 1.00 0.00 H new ATOM 1522 N LYS A 102 -5.748 -10.872 -0.930 1.00 0.00 N ATOM 1523 CA LYS A 102 -6.265 -11.641 0.190 1.00 0.00 C ATOM 1524 C LYS A 102 -6.809 -12.975 -0.322 1.00 0.00 C ATOM 1525 O LYS A 102 -6.415 -13.443 -1.391 1.00 0.00 O ATOM 1526 CB LYS A 102 -7.286 -10.820 0.978 1.00 0.00 C ATOM 1527 CG LYS A 102 -8.575 -10.628 0.172 1.00 0.00 C ATOM 1528 CD LYS A 102 -9.327 -9.377 0.629 1.00 0.00 C ATOM 1529 CE LYS A 102 -10.152 -8.783 -0.513 1.00 0.00 C ATOM 1530 NZ LYS A 102 -10.753 -7.495 -0.103 1.00 0.00 N ATOM 0 H LYS A 102 -5.980 -11.248 -1.849 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.467 -11.872 0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.512 -11.321 1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.861 -9.848 1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.336 -10.546 -0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.214 -11.503 0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -9.982 -9.627 1.463 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.617 -8.635 0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.519 -8.633 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.937 -9.481 -0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.310 -7.105 -0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.373 -7.647 0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.999 -6.826 0.152 1.00 0.00 H new