USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 428 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 43 ASN : amide:sc= -4.84! C(o=-4.1!,f=-10!) USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 50 THR OG1 : rot 113:sc= 0.768 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.505 K(o=1.1,f=-1.6!) USER MOD Set 2.2: A 33 TYR OH : rot -104:sc= 0.545 USER MOD Single : A 4 MET CE :methyl 140:sc= -0.144 (180deg=-1.03) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -40:sc= -6.62! USER MOD Single : A 16 TYR OH : rot -161:sc=-0.00744 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -27:sc= 1.38 USER MOD Single : A 34 ASN : amide:sc= -0.567 K(o=-0.57,f=-1.8) USER MOD Single : A 35 ASN : amide:sc= -7.28! C(o=-7.3!,f=-20!) USER MOD Single : A 38 MET CE :methyl -146:sc= -0.356 (180deg=-1.94!) USER MOD Single : A 41 HIS : no HE2:sc= -0.331 K(o=-0.33,f=-2.9) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 49 ASN : amide:sc= -0.0689 K(o=-0.069,f=-1.8!) USER MOD Single : A 51 HIS : no HD1:sc= -0.676 X(o=-0.68,f=-0.25) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 -15.539 -7.666 5.891 1.00 0.00 N ATOM 42 CA MET A 4 -16.685 -6.783 6.248 1.00 0.00 C ATOM 43 C MET A 4 -16.148 -5.431 6.717 1.00 0.00 C ATOM 44 O MET A 4 -16.843 -4.435 6.701 1.00 0.00 O ATOM 45 CB MET A 4 -17.497 -7.428 7.374 1.00 0.00 C ATOM 46 CG MET A 4 -17.951 -8.823 6.941 1.00 0.00 C ATOM 47 SD MET A 4 -19.110 -9.488 8.162 1.00 0.00 S ATOM 48 CE MET A 4 -20.513 -8.422 7.747 1.00 0.00 C ATOM 0 HA MET A 4 -17.325 -6.643 5.377 1.00 0.00 H new ATOM 0 HB2 MET A 4 -16.894 -7.495 8.279 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.363 -6.810 7.613 1.00 0.00 H new ATOM 0 HG2 MET A 4 -18.427 -8.774 5.961 1.00 0.00 H new ATOM 0 HG3 MET A 4 -17.089 -9.484 6.844 1.00 0.00 H new ATOM 0 HE1 MET A 4 -21.434 -9.003 7.781 1.00 0.00 H new ATOM 0 HE2 MET A 4 -20.573 -7.604 8.465 1.00 0.00 H new ATOM 0 HE3 MET A 4 -20.377 -8.016 6.745 1.00 0.00 H new ATOM 58 N CYS A 5 -14.912 -5.390 7.133 1.00 0.00 N ATOM 59 CA CYS A 5 -14.324 -4.105 7.603 1.00 0.00 C ATOM 60 C CYS A 5 -13.637 -3.396 6.434 1.00 0.00 C ATOM 61 O CYS A 5 -13.278 -2.239 6.520 1.00 0.00 O ATOM 62 CB CYS A 5 -13.295 -4.384 8.701 1.00 0.00 C ATOM 63 SG CYS A 5 -13.881 -5.728 9.751 1.00 0.00 S ATOM 0 H CYS A 5 -14.283 -6.193 7.168 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.117 -3.470 7.998 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.336 -4.648 8.256 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -13.133 -3.487 9.298 1.00 0.00 H new ATOM 68 N LYS A 6 -13.447 -4.085 5.342 1.00 0.00 N ATOM 69 CA LYS A 6 -12.781 -3.453 4.169 1.00 0.00 C ATOM 70 C LYS A 6 -13.559 -2.208 3.743 1.00 0.00 C ATOM 71 O LYS A 6 -13.015 -1.300 3.144 1.00 0.00 O ATOM 72 CB LYS A 6 -12.743 -4.450 3.008 1.00 0.00 C ATOM 73 CG LYS A 6 -11.834 -5.624 3.375 1.00 0.00 C ATOM 74 CD LYS A 6 -11.557 -6.465 2.126 1.00 0.00 C ATOM 75 CE LYS A 6 -10.576 -7.587 2.475 1.00 0.00 C ATOM 76 NZ LYS A 6 -9.253 -7.303 1.848 1.00 0.00 N ATOM 0 H LYS A 6 -13.724 -5.058 5.212 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.765 -3.168 4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.749 -4.809 2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.377 -3.960 2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.897 -5.256 3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.306 -6.238 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.487 -6.886 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.143 -5.838 1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.468 -7.667 3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.960 -8.544 2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.586 -8.065 2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.363 -7.248 0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.886 -6.398 2.206 1.00 0.00 H new ATOM 90 N ASP A 7 -14.828 -2.153 4.043 1.00 0.00 N ATOM 91 CA ASP A 7 -15.631 -0.963 3.648 1.00 0.00 C ATOM 92 C ASP A 7 -16.801 -0.782 4.619 1.00 0.00 C ATOM 93 O ASP A 7 -17.952 -0.885 4.243 1.00 0.00 O ATOM 94 CB ASP A 7 -16.172 -1.162 2.232 1.00 0.00 C ATOM 95 CG ASP A 7 -16.882 0.114 1.774 1.00 0.00 C ATOM 96 OD1 ASP A 7 -16.848 1.085 2.513 1.00 0.00 O ATOM 97 OD2 ASP A 7 -17.447 0.099 0.693 1.00 0.00 O ATOM 0 H ASP A 7 -15.341 -2.879 4.543 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.998 -0.076 3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -15.356 -1.402 1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -16.864 -2.004 2.210 1.00 0.00 H new ATOM 102 N TYR A 8 -16.519 -0.509 5.863 1.00 0.00 N ATOM 103 CA TYR A 8 -17.619 -0.315 6.848 1.00 0.00 C ATOM 104 C TYR A 8 -17.434 1.031 7.556 1.00 0.00 C ATOM 105 O TYR A 8 -16.408 1.669 7.435 1.00 0.00 O ATOM 106 CB TYR A 8 -17.602 -1.461 7.871 1.00 0.00 C ATOM 107 CG TYR A 8 -16.552 -1.204 8.930 1.00 0.00 C ATOM 108 CD1 TYR A 8 -15.195 -1.212 8.590 1.00 0.00 C ATOM 109 CD2 TYR A 8 -16.941 -0.958 10.253 1.00 0.00 C ATOM 110 CE1 TYR A 8 -14.225 -0.976 9.572 1.00 0.00 C ATOM 111 CE2 TYR A 8 -15.972 -0.722 11.235 1.00 0.00 C ATOM 112 CZ TYR A 8 -14.614 -0.730 10.895 1.00 0.00 C ATOM 113 OH TYR A 8 -13.658 -0.497 11.863 1.00 0.00 O ATOM 0 H TYR A 8 -15.576 -0.412 6.239 1.00 0.00 H new ATOM 0 HA TYR A 8 -18.580 -0.318 6.333 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -18.583 -1.556 8.337 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -17.396 -2.405 7.366 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.895 -1.400 7.570 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -17.989 -0.950 10.515 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.177 -0.984 9.309 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -16.272 -0.534 12.255 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.897 -1.099 11.723 1.00 0.00 H new ATOM 123 N ARG A 9 -18.419 1.468 8.292 1.00 0.00 N ATOM 124 CA ARG A 9 -18.294 2.773 9.000 1.00 0.00 C ATOM 125 C ARG A 9 -18.964 2.676 10.371 1.00 0.00 C ATOM 126 O ARG A 9 -19.953 1.990 10.543 1.00 0.00 O ATOM 127 CB ARG A 9 -18.972 3.868 8.176 1.00 0.00 C ATOM 128 CG ARG A 9 -18.062 4.266 7.013 1.00 0.00 C ATOM 129 CD ARG A 9 -18.749 5.347 6.176 1.00 0.00 C ATOM 130 NE ARG A 9 -18.115 5.406 4.828 1.00 0.00 N ATOM 131 CZ ARG A 9 -18.488 6.316 3.972 1.00 0.00 C ATOM 132 NH1 ARG A 9 -17.847 7.452 3.905 1.00 0.00 N ATOM 133 NH2 ARG A 9 -19.501 6.092 3.180 1.00 0.00 N ATOM 0 H ARG A 9 -19.303 0.979 8.433 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.239 3.017 9.128 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.930 3.513 7.797 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -19.179 4.735 8.803 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.109 4.635 7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.843 3.396 6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -19.812 5.128 6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.666 6.314 6.672 1.00 0.00 H new ATOM 0 HE ARG A 9 -17.390 4.735 4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.054 7.627 4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.139 8.164 3.235 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -20.001 5.205 3.231 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -19.792 6.804 2.511 1.00 0.00 H new ATOM 147 N VAL A 10 -18.434 3.355 11.348 1.00 0.00 N ATOM 148 CA VAL A 10 -19.039 3.302 12.708 1.00 0.00 C ATOM 149 C VAL A 10 -18.998 4.695 13.339 1.00 0.00 C ATOM 150 O VAL A 10 -17.998 5.381 13.291 1.00 0.00 O ATOM 151 CB VAL A 10 -18.249 2.324 13.577 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.796 2.353 15.005 1.00 0.00 C ATOM 153 CG2 VAL A 10 -18.383 0.911 13.007 1.00 0.00 C ATOM 0 H VAL A 10 -17.607 3.946 11.264 1.00 0.00 H new ATOM 0 HA VAL A 10 -20.074 2.968 12.634 1.00 0.00 H new ATOM 0 HB VAL A 10 -17.198 2.613 13.585 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.233 1.655 15.625 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.699 3.360 15.411 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.847 2.065 14.998 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -17.819 0.214 13.627 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.434 0.621 12.997 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.992 0.890 11.990 1.00 0.00 H new ATOM 163 N LEU A 11 -20.082 5.117 13.932 1.00 0.00 N ATOM 164 CA LEU A 11 -20.109 6.464 14.567 1.00 0.00 C ATOM 165 C LEU A 11 -20.491 6.319 16.042 1.00 0.00 C ATOM 166 O LEU A 11 -20.792 5.238 16.508 1.00 0.00 O ATOM 167 CB LEU A 11 -21.143 7.338 13.853 1.00 0.00 C ATOM 168 CG LEU A 11 -20.428 8.461 13.099 1.00 0.00 C ATOM 169 CD1 LEU A 11 -19.748 7.888 11.855 1.00 0.00 C ATOM 170 CD2 LEU A 11 -21.446 9.523 12.681 1.00 0.00 C ATOM 0 H LEU A 11 -20.950 4.586 14.004 1.00 0.00 H new ATOM 0 HA LEU A 11 -19.126 6.928 14.490 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.728 6.734 13.159 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -21.841 7.758 14.577 1.00 0.00 H new ATOM 0 HG LEU A 11 -19.677 8.913 13.747 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -19.239 8.688 11.318 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -19.022 7.131 12.153 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -20.498 7.436 11.206 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -20.937 10.323 12.144 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -22.197 9.072 12.033 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -21.930 9.932 13.568 1.00 0.00 H new ATOM 182 N PRO A 12 -20.484 7.433 16.788 1.00 0.00 N ATOM 183 CA PRO A 12 -20.834 7.431 18.214 1.00 0.00 C ATOM 184 C PRO A 12 -22.314 7.108 18.428 1.00 0.00 C ATOM 185 O PRO A 12 -22.705 6.579 19.450 1.00 0.00 O ATOM 186 CB PRO A 12 -20.533 8.862 18.659 1.00 0.00 C ATOM 187 CG PRO A 12 -20.638 9.668 17.410 1.00 0.00 C ATOM 188 CD PRO A 12 -20.134 8.782 16.307 1.00 0.00 C ATOM 0 HA PRO A 12 -20.282 6.677 18.775 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -21.244 9.202 19.412 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.539 8.940 19.100 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -21.668 9.973 17.227 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.044 10.579 17.482 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -20.613 9.009 15.355 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -19.060 8.893 16.158 1.00 0.00 H new ATOM 196 N ARG A 13 -23.139 7.414 17.465 1.00 0.00 N ATOM 197 CA ARG A 13 -24.592 7.118 17.604 1.00 0.00 C ATOM 198 C ARG A 13 -24.934 5.890 16.756 1.00 0.00 C ATOM 199 O ARG A 13 -25.834 5.136 17.069 1.00 0.00 O ATOM 200 CB ARG A 13 -25.410 8.318 17.118 1.00 0.00 C ATOM 201 CG ARG A 13 -25.284 9.462 18.125 1.00 0.00 C ATOM 202 CD ARG A 13 -26.179 10.625 17.689 1.00 0.00 C ATOM 203 NE ARG A 13 -25.903 11.814 18.546 1.00 0.00 N ATOM 204 CZ ARG A 13 -26.140 11.763 19.828 1.00 0.00 C ATOM 205 NH1 ARG A 13 -27.272 12.210 20.300 1.00 0.00 N ATOM 206 NH2 ARG A 13 -25.246 11.267 20.638 1.00 0.00 N ATOM 0 H ARG A 13 -22.869 7.857 16.587 1.00 0.00 H new ATOM 0 HA ARG A 13 -24.828 6.923 18.650 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -25.056 8.641 16.139 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -26.456 8.035 17.001 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -25.572 9.120 19.119 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -24.247 9.791 18.190 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -25.994 10.867 16.642 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -27.228 10.341 17.770 1.00 0.00 H new ATOM 0 HE ARG A 13 -25.529 12.667 18.130 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -27.971 12.599 19.667 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -27.458 12.170 21.302 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -24.361 10.919 20.269 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -25.432 11.227 21.640 1.00 0.00 H new ATOM 220 N ILE A 14 -24.218 5.687 15.684 1.00 0.00 N ATOM 221 CA ILE A 14 -24.495 4.511 14.813 1.00 0.00 C ATOM 222 C ILE A 14 -23.823 3.269 15.402 1.00 0.00 C ATOM 223 O ILE A 14 -24.387 2.192 15.414 1.00 0.00 O ATOM 224 CB ILE A 14 -23.940 4.773 13.411 1.00 0.00 C ATOM 225 CG1 ILE A 14 -24.654 5.978 12.796 1.00 0.00 C ATOM 226 CG2 ILE A 14 -24.170 3.542 12.532 1.00 0.00 C ATOM 227 CD1 ILE A 14 -26.167 5.794 12.925 1.00 0.00 C ATOM 0 H ILE A 14 -23.453 6.286 15.374 1.00 0.00 H new ATOM 0 HA ILE A 14 -25.571 4.349 14.755 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.872 4.978 13.477 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.344 6.894 13.299 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -24.378 6.082 11.747 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.775 3.729 11.534 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.661 2.683 12.969 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -25.238 3.336 12.467 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -26.677 6.652 12.487 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -26.469 4.887 12.402 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -26.435 5.712 13.978 1.00 0.00 H new ATOM 239 N GLY A 15 -22.620 3.407 15.890 1.00 0.00 N ATOM 240 CA GLY A 15 -21.915 2.234 16.476 1.00 0.00 C ATOM 241 C GLY A 15 -21.654 1.199 15.380 1.00 0.00 C ATOM 242 O GLY A 15 -21.436 1.537 14.233 1.00 0.00 O ATOM 0 H GLY A 15 -22.096 4.282 15.908 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.973 2.549 16.926 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.517 1.794 17.271 1.00 0.00 H new ATOM 246 N TYR A 16 -21.676 -0.060 15.722 1.00 0.00 N ATOM 247 CA TYR A 16 -21.430 -1.113 14.697 1.00 0.00 C ATOM 248 C TYR A 16 -22.753 -1.789 14.330 1.00 0.00 C ATOM 249 O TYR A 16 -23.669 -1.856 15.125 1.00 0.00 O ATOM 250 CB TYR A 16 -20.463 -2.157 15.259 1.00 0.00 C ATOM 251 CG TYR A 16 -19.566 -2.657 14.151 1.00 0.00 C ATOM 252 CD1 TYR A 16 -20.063 -3.559 13.202 1.00 0.00 C ATOM 253 CD2 TYR A 16 -18.240 -2.215 14.070 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.233 -4.020 12.173 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.410 -2.676 13.041 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.907 -3.579 12.093 1.00 0.00 C ATOM 257 OH TYR A 16 -17.089 -4.034 11.079 1.00 0.00 O ATOM 0 H TYR A 16 -21.853 -0.405 16.666 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.996 -0.657 13.807 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.864 -1.721 16.058 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -21.019 -2.987 15.694 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -21.086 -3.899 13.264 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.857 -1.518 14.801 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.616 -4.716 11.441 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.387 -2.335 12.978 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.152 -3.887 11.324 1.00 0.00 H new ATOM 267 N LEU A 17 -22.860 -2.291 13.130 1.00 0.00 N ATOM 268 CA LEU A 17 -24.124 -2.961 12.712 1.00 0.00 C ATOM 269 C LEU A 17 -23.918 -4.479 12.701 1.00 0.00 C ATOM 270 O LEU A 17 -23.221 -5.014 11.863 1.00 0.00 O ATOM 271 CB LEU A 17 -24.512 -2.492 11.308 1.00 0.00 C ATOM 272 CG LEU A 17 -25.867 -3.090 10.927 1.00 0.00 C ATOM 273 CD1 LEU A 17 -26.881 -2.808 12.038 1.00 0.00 C ATOM 274 CD2 LEU A 17 -26.355 -2.460 9.621 1.00 0.00 C ATOM 0 H LEU A 17 -22.127 -2.266 12.421 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.918 -2.705 13.414 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.561 -1.404 11.277 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.752 -2.797 10.588 1.00 0.00 H new ATOM 0 HG LEU A 17 -25.763 -4.167 10.794 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -27.847 -3.234 11.766 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -26.535 -3.257 12.969 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -26.984 -1.731 12.171 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -27.321 -2.887 9.350 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.458 -1.383 9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.634 -2.661 8.828 1.00 0.00 H new ATOM 286 N CYS A 18 -24.520 -5.174 13.627 1.00 0.00 N ATOM 287 CA CYS A 18 -24.360 -6.656 13.671 1.00 0.00 C ATOM 288 C CYS A 18 -25.739 -7.313 13.753 1.00 0.00 C ATOM 289 O CYS A 18 -26.699 -6.709 14.191 1.00 0.00 O ATOM 290 CB CYS A 18 -23.534 -7.044 14.898 1.00 0.00 C ATOM 291 SG CYS A 18 -21.938 -6.194 14.835 1.00 0.00 S ATOM 0 H CYS A 18 -25.116 -4.780 14.355 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.849 -6.995 12.770 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -24.067 -6.775 15.810 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.384 -8.123 14.923 1.00 0.00 H new ATOM 296 N PRO A 19 -25.834 -8.578 13.322 1.00 0.00 N ATOM 297 CA PRO A 19 -27.093 -9.329 13.344 1.00 0.00 C ATOM 298 C PRO A 19 -27.493 -9.715 14.770 1.00 0.00 C ATOM 299 O PRO A 19 -26.746 -9.522 15.708 1.00 0.00 O ATOM 300 CB PRO A 19 -26.776 -10.584 12.531 1.00 0.00 C ATOM 301 CG PRO A 19 -25.299 -10.753 12.653 1.00 0.00 C ATOM 302 CD PRO A 19 -24.718 -9.372 12.782 1.00 0.00 C ATOM 0 HA PRO A 19 -27.925 -8.749 12.946 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.307 -11.452 12.921 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -27.076 -10.467 11.490 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -25.049 -11.361 13.522 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.894 -11.264 11.779 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.857 -9.360 13.450 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.380 -8.987 11.820 1.00 0.00 H new ATOM 310 N LYS A 20 -28.667 -10.257 14.942 1.00 0.00 N ATOM 311 CA LYS A 20 -29.110 -10.652 16.308 1.00 0.00 C ATOM 312 C LYS A 20 -28.674 -12.092 16.587 1.00 0.00 C ATOM 313 O LYS A 20 -28.668 -12.542 17.715 1.00 0.00 O ATOM 314 CB LYS A 20 -30.634 -10.552 16.399 1.00 0.00 C ATOM 315 CG LYS A 20 -31.059 -10.529 17.869 1.00 0.00 C ATOM 316 CD LYS A 20 -32.570 -10.309 17.958 1.00 0.00 C ATOM 317 CE LYS A 20 -32.999 -10.313 19.426 1.00 0.00 C ATOM 318 NZ LYS A 20 -33.711 -11.586 19.732 1.00 0.00 N ATOM 0 H LYS A 20 -29.338 -10.443 14.196 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.659 -9.987 17.044 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.980 -9.649 15.896 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -31.095 -11.398 15.890 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.788 -11.468 18.352 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.533 -9.735 18.399 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.839 -9.361 17.492 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -33.095 -11.093 17.412 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -32.127 -10.208 20.071 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -33.650 -9.462 19.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -34.003 -11.589 20.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -34.552 -11.668 19.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -33.076 -12.390 19.554 1.00 0.00 H new ATOM 332 N ASP A 21 -28.308 -12.817 15.566 1.00 0.00 N ATOM 333 CA ASP A 21 -27.873 -14.226 15.772 1.00 0.00 C ATOM 334 C ASP A 21 -26.484 -14.243 16.412 1.00 0.00 C ATOM 335 O ASP A 21 -25.497 -13.917 15.782 1.00 0.00 O ATOM 336 CB ASP A 21 -27.818 -14.945 14.423 1.00 0.00 C ATOM 337 CG ASP A 21 -27.791 -16.457 14.652 1.00 0.00 C ATOM 338 OD1 ASP A 21 -27.799 -16.861 15.804 1.00 0.00 O ATOM 339 OD2 ASP A 21 -27.762 -17.184 13.674 1.00 0.00 O ATOM 0 H ASP A 21 -28.292 -12.494 14.599 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.582 -14.732 16.427 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -28.683 -14.673 13.819 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -26.932 -14.634 13.869 1.00 0.00 H new ATOM 344 N LEU A 22 -26.397 -14.620 17.657 1.00 0.00 N ATOM 345 CA LEU A 22 -25.068 -14.655 18.328 1.00 0.00 C ATOM 346 C LEU A 22 -24.310 -15.906 17.881 1.00 0.00 C ATOM 347 O LEU A 22 -24.656 -17.015 18.238 1.00 0.00 O ATOM 348 CB LEU A 22 -25.262 -14.687 19.848 1.00 0.00 C ATOM 349 CG LEU A 22 -23.909 -14.518 20.555 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.137 -15.838 20.509 1.00 0.00 C ATOM 351 CD2 LEU A 22 -23.091 -13.426 19.862 1.00 0.00 C ATOM 0 H LEU A 22 -27.186 -14.905 18.237 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.498 -13.767 18.057 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -25.942 -13.892 20.153 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -25.721 -15.630 20.144 1.00 0.00 H new ATOM 0 HG LEU A 22 -24.083 -14.233 21.593 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.177 -15.716 21.011 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -23.714 -16.614 21.012 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -22.969 -16.125 19.471 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -22.133 -13.312 20.369 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -22.920 -13.704 18.822 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -23.636 -12.483 19.901 1.00 0.00 H new ATOM 363 N LYS A 23 -23.278 -15.736 17.103 1.00 0.00 N ATOM 364 CA LYS A 23 -22.497 -16.916 16.633 1.00 0.00 C ATOM 365 C LYS A 23 -21.046 -16.781 17.100 1.00 0.00 C ATOM 366 O LYS A 23 -20.293 -15.979 16.586 1.00 0.00 O ATOM 367 CB LYS A 23 -22.543 -16.984 15.105 1.00 0.00 C ATOM 368 CG LYS A 23 -23.908 -17.513 14.658 1.00 0.00 C ATOM 369 CD LYS A 23 -23.714 -18.754 13.786 1.00 0.00 C ATOM 370 CE LYS A 23 -23.073 -18.349 12.458 1.00 0.00 C ATOM 371 NZ LYS A 23 -23.184 -19.474 11.487 1.00 0.00 N ATOM 0 H LYS A 23 -22.941 -14.832 16.772 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.928 -17.828 17.046 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.368 -15.995 14.681 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.750 -17.634 14.735 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.517 -17.758 15.528 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.443 -16.744 14.101 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -23.083 -19.478 14.301 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -24.674 -19.239 13.606 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -23.566 -17.462 12.060 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.025 -18.090 12.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -22.748 -19.198 10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.695 -20.310 11.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -24.187 -19.701 11.332 1.00 0.00 H new ATOM 385 N PRO A 24 -20.654 -17.587 18.100 1.00 0.00 N ATOM 386 CA PRO A 24 -19.295 -17.567 18.664 1.00 0.00 C ATOM 387 C PRO A 24 -18.234 -17.970 17.640 1.00 0.00 C ATOM 388 O PRO A 24 -18.261 -19.054 17.096 1.00 0.00 O ATOM 389 CB PRO A 24 -19.365 -18.601 19.792 1.00 0.00 C ATOM 390 CG PRO A 24 -20.486 -19.498 19.395 1.00 0.00 C ATOM 391 CD PRO A 24 -21.502 -18.596 18.758 1.00 0.00 C ATOM 0 HA PRO A 24 -19.007 -16.570 18.996 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.429 -19.151 19.887 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.555 -18.128 20.755 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.149 -20.266 18.699 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.904 -20.013 20.260 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.129 -19.129 18.043 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.169 -18.149 19.495 1.00 0.00 H new ATOM 399 N VAL A 25 -17.298 -17.101 17.371 1.00 0.00 N ATOM 400 CA VAL A 25 -16.233 -17.435 16.382 1.00 0.00 C ATOM 401 C VAL A 25 -14.874 -17.485 17.083 1.00 0.00 C ATOM 402 O VAL A 25 -14.669 -16.867 18.110 1.00 0.00 O ATOM 403 CB VAL A 25 -16.194 -16.368 15.287 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.577 -16.237 14.649 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.786 -15.025 15.899 1.00 0.00 C ATOM 0 H VAL A 25 -17.224 -16.175 17.793 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.451 -18.407 15.939 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.470 -16.657 14.525 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.547 -15.476 13.869 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.869 -17.193 14.213 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.303 -15.949 15.409 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.758 -14.264 15.120 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.510 -14.737 16.661 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.799 -15.117 16.353 1.00 0.00 H new ATOM 415 N CYS A 26 -13.941 -18.211 16.530 1.00 0.00 N ATOM 416 CA CYS A 26 -12.590 -18.298 17.155 1.00 0.00 C ATOM 417 C CYS A 26 -11.645 -17.321 16.455 1.00 0.00 C ATOM 418 O CYS A 26 -11.353 -17.463 15.288 1.00 0.00 O ATOM 419 CB CYS A 26 -12.038 -19.719 17.004 1.00 0.00 C ATOM 420 SG CYS A 26 -10.347 -19.775 17.645 1.00 0.00 S ATOM 0 H CYS A 26 -14.056 -18.749 15.671 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.669 -18.048 18.213 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.668 -20.425 17.545 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.052 -20.017 15.956 1.00 0.00 H new ATOM 425 N GLY A 27 -11.166 -16.333 17.154 1.00 0.00 N ATOM 426 CA GLY A 27 -10.239 -15.350 16.522 1.00 0.00 C ATOM 427 C GLY A 27 -8.887 -16.017 16.255 1.00 0.00 C ATOM 428 O GLY A 27 -8.383 -16.767 17.069 1.00 0.00 O ATOM 0 H GLY A 27 -11.375 -16.161 18.137 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.665 -14.982 15.589 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.108 -14.487 17.175 1.00 0.00 H new ATOM 432 N ASP A 28 -8.296 -15.750 15.123 1.00 0.00 N ATOM 433 CA ASP A 28 -6.977 -16.369 14.807 1.00 0.00 C ATOM 434 C ASP A 28 -5.895 -15.752 15.691 1.00 0.00 C ATOM 435 O ASP A 28 -4.774 -16.220 15.737 1.00 0.00 O ATOM 436 CB ASP A 28 -6.638 -16.130 13.335 1.00 0.00 C ATOM 437 CG ASP A 28 -5.305 -16.800 13.001 1.00 0.00 C ATOM 438 OD1 ASP A 28 -4.837 -17.582 13.812 1.00 0.00 O ATOM 439 OD2 ASP A 28 -4.773 -16.520 11.939 1.00 0.00 O ATOM 0 H ASP A 28 -8.669 -15.131 14.403 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.027 -17.441 14.996 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.428 -16.531 12.700 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.580 -15.060 13.134 1.00 0.00 H new ATOM 444 N ASP A 29 -6.219 -14.707 16.402 1.00 0.00 N ATOM 445 CA ASP A 29 -5.207 -14.069 17.288 1.00 0.00 C ATOM 446 C ASP A 29 -5.195 -14.787 18.639 1.00 0.00 C ATOM 447 O ASP A 29 -4.563 -14.350 19.580 1.00 0.00 O ATOM 448 CB ASP A 29 -5.565 -12.597 17.495 1.00 0.00 C ATOM 449 CG ASP A 29 -6.930 -12.496 18.177 1.00 0.00 C ATOM 450 OD1 ASP A 29 -7.489 -13.534 18.495 1.00 0.00 O ATOM 451 OD2 ASP A 29 -7.396 -11.386 18.367 1.00 0.00 O ATOM 0 H ASP A 29 -7.140 -14.268 16.407 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.221 -14.140 16.828 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.805 -12.109 18.105 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.586 -12.078 16.537 1.00 0.00 H new ATOM 456 N GLY A 30 -5.892 -15.887 18.743 1.00 0.00 N ATOM 457 CA GLY A 30 -5.922 -16.629 20.034 1.00 0.00 C ATOM 458 C GLY A 30 -7.071 -16.103 20.896 1.00 0.00 C ATOM 459 O GLY A 30 -7.189 -16.433 22.059 1.00 0.00 O ATOM 0 H GLY A 30 -6.441 -16.302 17.990 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.050 -17.696 19.850 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.974 -16.507 20.558 1.00 0.00 H new ATOM 463 N GLN A 31 -7.919 -15.286 20.333 1.00 0.00 N ATOM 464 CA GLN A 31 -9.060 -14.738 21.118 1.00 0.00 C ATOM 465 C GLN A 31 -10.376 -15.194 20.484 1.00 0.00 C ATOM 466 O GLN A 31 -10.435 -15.513 19.315 1.00 0.00 O ATOM 467 CB GLN A 31 -8.997 -13.209 21.110 1.00 0.00 C ATOM 468 CG GLN A 31 -7.939 -12.735 22.108 1.00 0.00 C ATOM 469 CD GLN A 31 -7.626 -11.259 21.854 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.258 -10.624 21.032 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.671 -10.680 22.531 1.00 0.00 N ATOM 0 H GLN A 31 -7.870 -14.975 19.363 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.003 -15.099 22.145 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.755 -12.850 20.110 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.970 -12.793 21.371 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.298 -12.872 23.128 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.033 -13.333 22.006 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.140 -11.212 23.221 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.456 -9.696 22.370 1.00 0.00 H new ATOM 480 N THR A 32 -11.434 -15.223 21.247 1.00 0.00 N ATOM 481 CA THR A 32 -12.747 -15.655 20.691 1.00 0.00 C ATOM 482 C THR A 32 -13.735 -14.490 20.765 1.00 0.00 C ATOM 483 O THR A 32 -13.636 -13.633 21.620 1.00 0.00 O ATOM 484 CB THR A 32 -13.286 -16.829 21.508 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.302 -17.852 21.570 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.551 -17.372 20.845 1.00 0.00 C ATOM 0 H THR A 32 -11.446 -14.965 22.234 1.00 0.00 H new ATOM 0 HA THR A 32 -12.620 -15.963 19.653 1.00 0.00 H new ATOM 0 HB THR A 32 -13.523 -16.493 22.518 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.726 -17.800 20.779 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.936 -18.209 21.427 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.304 -16.585 20.799 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.317 -17.709 19.835 1.00 0.00 H new ATOM 494 N TYR A 33 -14.690 -14.452 19.878 1.00 0.00 N ATOM 495 CA TYR A 33 -15.682 -13.342 19.900 1.00 0.00 C ATOM 496 C TYR A 33 -17.094 -13.927 19.849 1.00 0.00 C ATOM 497 O TYR A 33 -17.395 -14.774 19.033 1.00 0.00 O ATOM 498 CB TYR A 33 -15.454 -12.430 18.694 1.00 0.00 C ATOM 499 CG TYR A 33 -14.029 -11.928 18.713 1.00 0.00 C ATOM 500 CD1 TYR A 33 -13.018 -12.666 18.084 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.719 -10.727 19.362 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.697 -12.202 18.104 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.398 -10.264 19.382 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.387 -11.001 18.753 1.00 0.00 C ATOM 505 OH TYR A 33 -10.085 -10.545 18.773 1.00 0.00 O ATOM 0 H TYR A 33 -14.826 -15.142 19.139 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.564 -12.761 20.815 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.648 -12.974 17.770 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -16.148 -11.590 18.722 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.257 -13.593 17.584 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.498 -10.158 19.847 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.917 -12.771 17.619 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.158 -9.338 19.883 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.695 -10.708 19.657 1.00 0.00 H new ATOM 515 N ASN A 34 -17.959 -13.489 20.721 1.00 0.00 N ATOM 516 CA ASN A 34 -19.345 -14.032 20.723 1.00 0.00 C ATOM 517 C ASN A 34 -19.948 -13.907 19.323 1.00 0.00 C ATOM 518 O ASN A 34 -20.000 -14.858 18.577 1.00 0.00 O ATOM 519 CB ASN A 34 -20.208 -13.267 21.734 1.00 0.00 C ATOM 520 CG ASN A 34 -19.382 -12.949 22.979 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.492 -13.694 23.340 1.00 0.00 O ATOM 522 ND2 ASN A 34 -19.642 -11.866 23.654 1.00 0.00 N ATOM 0 H ASN A 34 -17.767 -12.781 21.430 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.316 -15.083 21.009 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.579 -12.345 21.286 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -21.080 -13.862 22.006 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -19.098 -11.642 24.487 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -20.389 -11.242 23.349 1.00 0.00 H new ATOM 529 N ASN A 35 -20.409 -12.747 18.959 1.00 0.00 N ATOM 530 CA ASN A 35 -21.008 -12.582 17.607 1.00 0.00 C ATOM 531 C ASN A 35 -19.903 -12.358 16.574 1.00 0.00 C ATOM 532 O ASN A 35 -18.900 -11.733 16.855 1.00 0.00 O ATOM 533 CB ASN A 35 -21.964 -11.385 17.628 1.00 0.00 C ATOM 534 CG ASN A 35 -22.493 -11.107 16.221 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.733 -10.829 15.316 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.779 -11.168 16.000 1.00 0.00 N ATOM 0 H ASN A 35 -20.398 -11.906 19.537 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.560 -13.482 17.335 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.795 -11.586 18.304 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.448 -10.505 18.011 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -24.145 -10.982 15.066 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.417 -11.402 16.761 1.00 0.00 H new ATOM 543 N PRO A 36 -20.098 -12.869 15.347 1.00 0.00 N ATOM 544 CA PRO A 36 -19.121 -12.717 14.260 1.00 0.00 C ATOM 545 C PRO A 36 -18.943 -11.247 13.875 1.00 0.00 C ATOM 546 O PRO A 36 -17.841 -10.739 13.832 1.00 0.00 O ATOM 547 CB PRO A 36 -19.743 -13.511 13.108 1.00 0.00 C ATOM 548 CG PRO A 36 -21.199 -13.524 13.420 1.00 0.00 C ATOM 549 CD PRO A 36 -21.281 -13.632 14.915 1.00 0.00 C ATOM 0 HA PRO A 36 -18.127 -13.070 14.535 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.546 -13.038 12.146 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.338 -14.521 13.056 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.686 -12.616 13.064 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.698 -14.364 12.937 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.205 -13.205 15.304 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.242 -14.668 15.251 1.00 0.00 H new ATOM 557 N CYS A 37 -20.019 -10.549 13.621 1.00 0.00 N ATOM 558 CA CYS A 37 -19.890 -9.110 13.274 1.00 0.00 C ATOM 559 C CYS A 37 -19.229 -8.403 14.455 1.00 0.00 C ATOM 560 O CYS A 37 -18.522 -7.427 14.300 1.00 0.00 O ATOM 561 CB CYS A 37 -21.280 -8.516 13.017 1.00 0.00 C ATOM 562 SG CYS A 37 -21.189 -6.707 13.031 1.00 0.00 S ATOM 0 H CYS A 37 -20.972 -10.912 13.639 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.289 -8.983 12.374 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.661 -8.862 12.056 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.979 -8.860 13.780 1.00 0.00 H new ATOM 567 N MET A 38 -19.448 -8.908 15.640 1.00 0.00 N ATOM 568 CA MET A 38 -18.831 -8.295 16.845 1.00 0.00 C ATOM 569 C MET A 38 -17.313 -8.475 16.774 1.00 0.00 C ATOM 570 O MET A 38 -16.570 -7.888 17.535 1.00 0.00 O ATOM 571 CB MET A 38 -19.375 -8.986 18.099 1.00 0.00 C ATOM 572 CG MET A 38 -20.612 -8.237 18.601 1.00 0.00 C ATOM 573 SD MET A 38 -20.127 -6.595 19.188 1.00 0.00 S ATOM 574 CE MET A 38 -19.066 -7.143 20.548 1.00 0.00 C ATOM 0 H MET A 38 -20.032 -9.724 15.823 1.00 0.00 H new ATOM 0 HA MET A 38 -19.071 -7.233 16.887 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.631 -10.022 17.874 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.610 -9.008 18.875 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.345 -8.146 17.800 1.00 0.00 H new ATOM 0 HG3 MET A 38 -21.087 -8.797 19.406 1.00 0.00 H new ATOM 0 HE1 MET A 38 -19.138 -6.435 21.374 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.387 -8.128 20.886 1.00 0.00 H new ATOM 0 HE3 MET A 38 -18.033 -7.196 20.205 1.00 0.00 H new ATOM 584 N LEU A 39 -16.846 -9.281 15.855 1.00 0.00 N ATOM 585 CA LEU A 39 -15.378 -9.494 15.726 1.00 0.00 C ATOM 586 C LEU A 39 -14.738 -8.210 15.205 1.00 0.00 C ATOM 587 O LEU A 39 -13.843 -7.660 15.814 1.00 0.00 O ATOM 588 CB LEU A 39 -15.112 -10.639 14.746 1.00 0.00 C ATOM 589 CG LEU A 39 -13.614 -10.723 14.454 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.863 -11.057 15.743 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.355 -11.816 13.414 1.00 0.00 C ATOM 0 H LEU A 39 -17.420 -9.799 15.190 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.952 -9.750 16.696 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.465 -11.581 15.166 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.665 -10.476 13.821 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.265 -9.766 14.067 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.794 -11.117 15.536 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.046 -10.278 16.483 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.212 -12.014 16.130 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.287 -11.875 13.207 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.703 -12.774 13.799 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.890 -11.578 12.495 1.00 0.00 H new ATOM 603 N CYS A 40 -15.201 -7.718 14.090 1.00 0.00 N ATOM 604 CA CYS A 40 -14.627 -6.458 13.549 1.00 0.00 C ATOM 605 C CYS A 40 -14.719 -5.386 14.632 1.00 0.00 C ATOM 606 O CYS A 40 -13.901 -4.490 14.707 1.00 0.00 O ATOM 607 CB CYS A 40 -15.416 -6.021 12.318 1.00 0.00 C ATOM 608 SG CYS A 40 -14.469 -4.775 11.422 1.00 0.00 S ATOM 0 H CYS A 40 -15.948 -8.132 13.533 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.587 -6.610 13.261 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.614 -6.878 11.674 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.383 -5.616 12.616 1.00 0.00 H new ATOM 613 N HIS A 41 -15.704 -5.485 15.482 1.00 0.00 N ATOM 614 CA HIS A 41 -15.848 -4.489 16.576 1.00 0.00 C ATOM 615 C HIS A 41 -14.593 -4.534 17.444 1.00 0.00 C ATOM 616 O HIS A 41 -13.869 -3.564 17.559 1.00 0.00 O ATOM 617 CB HIS A 41 -17.068 -4.840 17.426 1.00 0.00 C ATOM 618 CG HIS A 41 -17.535 -3.618 18.169 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.989 -2.483 17.515 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.621 -3.339 19.510 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.325 -1.582 18.456 1.00 0.00 C ATOM 622 NE2 HIS A 41 -18.122 -2.053 19.688 1.00 0.00 N ATOM 0 H HIS A 41 -16.416 -6.215 15.464 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.977 -3.491 16.158 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.869 -5.220 16.791 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.817 -5.632 18.131 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -18.056 -2.355 16.505 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.342 -4.014 20.306 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.712 -0.597 18.240 1.00 0.00 H new ATOM 630 N GLU A 42 -14.317 -5.661 18.041 1.00 0.00 N ATOM 631 CA GLU A 42 -13.096 -5.769 18.882 1.00 0.00 C ATOM 632 C GLU A 42 -11.886 -5.455 18.006 1.00 0.00 C ATOM 633 O GLU A 42 -10.839 -5.066 18.484 1.00 0.00 O ATOM 634 CB GLU A 42 -12.978 -7.189 19.440 1.00 0.00 C ATOM 635 CG GLU A 42 -14.099 -7.433 20.451 1.00 0.00 C ATOM 636 CD GLU A 42 -14.065 -6.343 21.523 1.00 0.00 C ATOM 637 OE1 GLU A 42 -13.016 -5.741 21.695 1.00 0.00 O ATOM 638 OE2 GLU A 42 -15.086 -6.127 22.153 1.00 0.00 O ATOM 0 H GLU A 42 -14.883 -6.508 17.982 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.148 -5.070 19.716 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.039 -7.916 18.630 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.007 -7.324 19.917 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.065 -7.432 19.946 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.981 -8.414 20.911 1.00 0.00 H new ATOM 645 N ASN A 43 -12.032 -5.612 16.719 1.00 0.00 N ATOM 646 CA ASN A 43 -10.903 -5.313 15.797 1.00 0.00 C ATOM 647 C ASN A 43 -10.772 -3.799 15.654 1.00 0.00 C ATOM 648 O ASN A 43 -9.722 -3.282 15.329 1.00 0.00 O ATOM 649 CB ASN A 43 -11.180 -5.936 14.427 1.00 0.00 C ATOM 650 CG ASN A 43 -11.036 -7.455 14.520 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.357 -7.961 15.392 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.653 -8.212 13.653 1.00 0.00 N ATOM 0 H ASN A 43 -12.887 -5.935 16.266 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.978 -5.729 16.197 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.184 -5.675 14.093 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.485 -5.539 13.688 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.565 -9.227 13.708 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.223 -7.789 12.921 1.00 0.00 H new ATOM 659 N LEU A 44 -11.832 -3.081 15.907 1.00 0.00 N ATOM 660 CA LEU A 44 -11.771 -1.598 15.798 1.00 0.00 C ATOM 661 C LEU A 44 -10.958 -1.051 16.971 1.00 0.00 C ATOM 662 O LEU A 44 -10.214 -0.101 16.836 1.00 0.00 O ATOM 663 CB LEU A 44 -13.190 -1.025 15.847 1.00 0.00 C ATOM 664 CG LEU A 44 -13.173 0.423 15.353 1.00 0.00 C ATOM 665 CD1 LEU A 44 -12.380 1.288 16.334 1.00 0.00 C ATOM 666 CD2 LEU A 44 -12.516 0.485 13.973 1.00 0.00 C ATOM 0 H LEU A 44 -12.738 -3.459 16.185 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.301 -1.313 14.857 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.857 -1.624 15.227 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.576 -1.069 16.865 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.196 0.794 15.285 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.368 2.320 15.982 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.848 1.246 17.317 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.358 0.916 16.403 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.504 1.517 13.622 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.494 0.113 14.040 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.081 -0.130 13.273 1.00 0.00 H new ATOM 678 N ILE A 45 -11.091 -1.653 18.121 1.00 0.00 N ATOM 679 CA ILE A 45 -10.326 -1.179 19.306 1.00 0.00 C ATOM 680 C ILE A 45 -8.873 -1.641 19.183 1.00 0.00 C ATOM 681 O ILE A 45 -7.949 -0.904 19.467 1.00 0.00 O ATOM 682 CB ILE A 45 -10.940 -1.772 20.578 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.464 -1.808 20.443 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.555 -0.911 21.782 1.00 0.00 C ATOM 685 CD1 ILE A 45 -12.971 -0.455 19.933 1.00 0.00 C ATOM 0 H ILE A 45 -11.698 -2.455 18.290 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.364 -0.091 19.356 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.565 -2.785 20.722 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.759 -2.600 19.755 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.919 -2.037 21.407 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.992 -1.334 22.686 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.470 -0.888 21.880 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.928 0.103 21.638 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.056 -0.485 19.838 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.690 0.328 20.637 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.528 -0.244 18.960 1.00 0.00 H new ATOM 697 N ARG A 46 -8.667 -2.857 18.760 1.00 0.00 N ATOM 698 CA ARG A 46 -7.275 -3.371 18.615 1.00 0.00 C ATOM 699 C ARG A 46 -6.702 -2.919 17.272 1.00 0.00 C ATOM 700 O ARG A 46 -5.549 -2.551 17.168 1.00 0.00 O ATOM 701 CB ARG A 46 -7.288 -4.899 18.670 1.00 0.00 C ATOM 702 CG ARG A 46 -7.583 -5.359 20.098 1.00 0.00 C ATOM 703 CD ARG A 46 -7.296 -6.857 20.215 1.00 0.00 C ATOM 704 NE ARG A 46 -7.753 -7.350 21.544 1.00 0.00 N ATOM 705 CZ ARG A 46 -7.448 -6.687 22.626 1.00 0.00 C ATOM 706 NH1 ARG A 46 -8.292 -5.822 23.120 1.00 0.00 N ATOM 707 NH2 ARG A 46 -6.301 -6.888 23.213 1.00 0.00 N ATOM 0 H ARG A 46 -9.402 -3.518 18.508 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.659 -2.981 19.425 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.042 -5.291 17.988 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.326 -5.293 18.342 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.969 -4.803 20.806 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.624 -5.155 20.350 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.807 -7.399 19.419 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.229 -7.044 20.094 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.304 -8.206 21.609 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.189 -5.665 22.660 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.054 -5.303 23.966 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.642 -7.564 22.827 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.063 -6.370 24.059 1.00 0.00 H new ATOM 721 N GLN A 47 -7.502 -2.949 16.244 1.00 0.00 N ATOM 722 CA GLN A 47 -7.013 -2.526 14.901 1.00 0.00 C ATOM 723 C GLN A 47 -5.901 -3.471 14.442 1.00 0.00 C ATOM 724 O GLN A 47 -4.889 -3.049 13.919 1.00 0.00 O ATOM 725 CB GLN A 47 -6.473 -1.097 14.978 1.00 0.00 C ATOM 726 CG GLN A 47 -7.604 -0.148 15.384 1.00 0.00 C ATOM 727 CD GLN A 47 -7.076 1.287 15.427 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.881 1.508 15.406 1.00 0.00 O ATOM 729 NE2 GLN A 47 -7.922 2.280 15.487 1.00 0.00 N ATOM 0 H GLN A 47 -8.476 -3.249 16.275 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.836 -2.562 14.188 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.660 -1.042 15.702 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.062 -0.799 14.013 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.428 -0.222 14.674 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.998 -0.431 16.360 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.925 2.095 15.505 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.580 3.240 15.516 1.00 0.00 H new ATOM 738 N THR A 48 -6.083 -4.750 14.631 1.00 0.00 N ATOM 739 CA THR A 48 -5.040 -5.724 14.203 1.00 0.00 C ATOM 740 C THR A 48 -5.583 -6.575 13.052 1.00 0.00 C ATOM 741 O THR A 48 -5.072 -7.638 12.759 1.00 0.00 O ATOM 742 CB THR A 48 -4.675 -6.632 15.380 1.00 0.00 C ATOM 743 OG1 THR A 48 -5.811 -7.398 15.754 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.220 -5.778 16.565 1.00 0.00 C ATOM 0 H THR A 48 -6.910 -5.162 15.064 1.00 0.00 H new ATOM 0 HA THR A 48 -4.152 -5.185 13.872 1.00 0.00 H new ATOM 0 HB THR A 48 -3.866 -7.301 15.086 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.579 -7.981 16.506 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.961 -6.426 17.402 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.348 -5.191 16.277 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.027 -5.108 16.862 1.00 0.00 H new ATOM 752 N ASN A 49 -6.615 -6.117 12.399 1.00 0.00 N ATOM 753 CA ASN A 49 -7.190 -6.900 11.269 1.00 0.00 C ATOM 754 C ASN A 49 -7.300 -8.370 11.672 1.00 0.00 C ATOM 755 O ASN A 49 -6.734 -9.241 11.041 1.00 0.00 O ATOM 756 CB ASN A 49 -6.281 -6.773 10.045 1.00 0.00 C ATOM 757 CG ASN A 49 -6.148 -5.300 9.661 1.00 0.00 C ATOM 758 OD1 ASN A 49 -6.894 -4.467 10.133 1.00 0.00 O ATOM 759 ND2 ASN A 49 -5.221 -4.941 8.816 1.00 0.00 N ATOM 0 H ASN A 49 -7.085 -5.234 12.599 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.180 -6.514 11.027 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.299 -7.193 10.263 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.694 -7.341 9.212 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.123 -3.961 8.552 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.594 -5.641 8.419 1.00 0.00 H new ATOM 766 N THR A 50 -8.023 -8.657 12.720 1.00 0.00 N ATOM 767 CA THR A 50 -8.167 -10.071 13.163 1.00 0.00 C ATOM 768 C THR A 50 -9.123 -10.810 12.228 1.00 0.00 C ATOM 769 O THR A 50 -10.082 -10.250 11.735 1.00 0.00 O ATOM 770 CB THR A 50 -8.730 -10.105 14.585 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.975 -9.231 15.413 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.649 -11.532 15.134 1.00 0.00 C ATOM 0 H THR A 50 -8.520 -7.972 13.289 1.00 0.00 H new ATOM 0 HA THR A 50 -7.190 -10.554 13.141 1.00 0.00 H new ATOM 0 HB THR A 50 -9.771 -9.783 14.572 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.538 -8.481 15.696 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.050 -11.555 16.147 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.230 -12.200 14.498 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.609 -11.858 15.148 1.00 0.00 H new ATOM 780 N HIS A 51 -8.875 -12.066 11.987 1.00 0.00 N ATOM 781 CA HIS A 51 -9.772 -12.845 11.093 1.00 0.00 C ATOM 782 C HIS A 51 -10.384 -13.999 11.886 1.00 0.00 C ATOM 783 O HIS A 51 -10.006 -14.258 13.012 1.00 0.00 O ATOM 784 CB HIS A 51 -8.969 -13.401 9.915 1.00 0.00 C ATOM 785 CG HIS A 51 -8.057 -12.331 9.383 1.00 0.00 C ATOM 786 ND1 HIS A 51 -8.533 -11.108 8.940 1.00 0.00 N ATOM 787 CD2 HIS A 51 -6.694 -12.286 9.219 1.00 0.00 C ATOM 788 CE1 HIS A 51 -7.473 -10.383 8.535 1.00 0.00 C ATOM 789 NE2 HIS A 51 -6.328 -11.054 8.683 1.00 0.00 N ATOM 0 H HIS A 51 -8.087 -12.587 12.372 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.563 -12.199 10.712 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.386 -14.265 10.233 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.643 -13.743 9.130 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.010 -13.084 9.468 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.541 -9.381 8.139 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.388 -10.733 8.453 1.00 0.00 H new ATOM 797 N ILE A 52 -11.324 -14.696 11.315 1.00 0.00 N ATOM 798 CA ILE A 52 -11.951 -15.829 12.048 1.00 0.00 C ATOM 799 C ILE A 52 -11.094 -17.084 11.881 1.00 0.00 C ATOM 800 O ILE A 52 -10.800 -17.513 10.784 1.00 0.00 O ATOM 801 CB ILE A 52 -13.350 -16.089 11.493 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.195 -14.820 11.623 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.003 -17.222 12.285 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.650 -15.138 11.275 1.00 0.00 C ATOM 0 H ILE A 52 -11.685 -14.531 10.375 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.023 -15.577 13.106 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.281 -16.370 10.442 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.130 -14.429 12.639 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.812 -14.046 10.958 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.002 -17.411 11.893 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.400 -18.125 12.193 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.073 -16.938 13.335 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.252 -14.234 11.368 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.707 -15.509 10.251 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.030 -15.898 11.958 1.00 0.00 H new ATOM 816 N ARG A 53 -10.696 -17.670 12.972 1.00 0.00 N ATOM 817 CA ARG A 53 -9.859 -18.900 12.911 1.00 0.00 C ATOM 818 C ARG A 53 -10.754 -20.104 12.636 1.00 0.00 C ATOM 819 O ARG A 53 -10.519 -20.881 11.732 1.00 0.00 O ATOM 820 CB ARG A 53 -9.163 -19.096 14.258 1.00 0.00 C ATOM 821 CG ARG A 53 -8.202 -20.281 14.174 1.00 0.00 C ATOM 822 CD ARG A 53 -7.310 -20.305 15.417 1.00 0.00 C ATOM 823 NE ARG A 53 -6.395 -21.478 15.350 1.00 0.00 N ATOM 824 CZ ARG A 53 -6.172 -22.196 16.419 1.00 0.00 C ATOM 825 NH1 ARG A 53 -7.175 -22.672 17.105 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.948 -22.437 16.799 1.00 0.00 N ATOM 0 H ARG A 53 -10.916 -17.347 13.914 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.117 -18.802 12.118 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.618 -18.192 14.532 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.903 -19.271 15.039 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.763 -21.213 14.098 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.590 -20.203 13.276 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.732 -19.383 15.481 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.923 -20.360 16.317 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.942 -21.721 14.469 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.132 -22.484 16.807 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.002 -23.232 17.939 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.165 -22.065 16.262 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.774 -22.997 17.633 1.00 0.00 H new ATOM 840 N SER A 54 -11.776 -20.261 13.422 1.00 0.00 N ATOM 841 CA SER A 54 -12.701 -21.409 13.234 1.00 0.00 C ATOM 842 C SER A 54 -14.089 -21.017 13.737 1.00 0.00 C ATOM 843 O SER A 54 -14.229 -20.162 14.591 1.00 0.00 O ATOM 844 CB SER A 54 -12.185 -22.607 14.032 1.00 0.00 C ATOM 845 OG SER A 54 -12.525 -22.445 15.402 1.00 0.00 O ATOM 0 H SER A 54 -12.013 -19.638 14.194 1.00 0.00 H new ATOM 0 HA SER A 54 -12.756 -21.674 12.178 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.619 -23.529 13.645 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.104 -22.692 13.922 1.00 0.00 H new ATOM 0 HG SER A 54 -12.196 -23.213 15.914 1.00 0.00 H new ATOM 851 N THR A 55 -15.116 -21.627 13.219 1.00 0.00 N ATOM 852 CA THR A 55 -16.489 -21.279 13.674 1.00 0.00 C ATOM 853 C THR A 55 -16.708 -21.817 15.089 1.00 0.00 C ATOM 854 O THR A 55 -16.342 -22.930 15.405 1.00 0.00 O ATOM 855 CB THR A 55 -17.516 -21.898 12.723 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.571 -23.301 12.938 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.109 -21.615 11.277 1.00 0.00 C ATOM 0 H THR A 55 -15.065 -22.350 12.502 1.00 0.00 H new ATOM 0 HA THR A 55 -16.608 -20.196 13.676 1.00 0.00 H new ATOM 0 HB THR A 55 -18.497 -21.463 12.912 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.229 -23.699 12.331 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.841 -22.056 10.600 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.068 -20.538 11.115 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.128 -22.049 11.084 1.00 0.00 H new ATOM 865 N GLY A 56 -17.302 -21.030 15.944 1.00 0.00 N ATOM 866 CA GLY A 56 -17.544 -21.489 17.339 1.00 0.00 C ATOM 867 C GLY A 56 -16.420 -20.987 18.242 1.00 0.00 C ATOM 868 O GLY A 56 -15.368 -20.588 17.783 1.00 0.00 O ATOM 0 H GLY A 56 -17.630 -20.087 15.735 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.505 -21.116 17.694 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.593 -22.577 17.372 1.00 0.00 H new ATOM 872 N LYS A 57 -16.637 -21.007 19.524 1.00 0.00 N ATOM 873 CA LYS A 57 -15.586 -20.534 20.469 1.00 0.00 C ATOM 874 C LYS A 57 -14.254 -21.203 20.123 1.00 0.00 C ATOM 875 O LYS A 57 -14.216 -22.291 19.582 1.00 0.00 O ATOM 876 CB LYS A 57 -15.984 -20.899 21.900 1.00 0.00 C ATOM 877 CG LYS A 57 -15.037 -20.209 22.886 1.00 0.00 C ATOM 878 CD LYS A 57 -15.197 -20.838 24.272 1.00 0.00 C ATOM 879 CE LYS A 57 -14.408 -20.018 25.297 1.00 0.00 C ATOM 880 NZ LYS A 57 -14.725 -20.500 26.671 1.00 0.00 N ATOM 0 H LYS A 57 -17.499 -21.331 19.962 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.483 -19.452 20.387 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.012 -20.593 22.092 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.943 -21.980 22.036 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.006 -20.308 22.547 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.256 -19.142 22.931 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.251 -20.870 24.549 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.839 -21.867 24.260 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.339 -20.109 25.106 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.659 -18.961 25.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.189 -19.943 27.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.744 -20.391 26.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.464 -21.503 26.756 1.00 0.00 H new ATOM 894 N CYS A 58 -13.159 -20.562 20.429 1.00 0.00 N ATOM 895 CA CYS A 58 -11.832 -21.163 20.116 1.00 0.00 C ATOM 896 C CYS A 58 -11.714 -22.525 20.802 1.00 0.00 C ATOM 897 O CYS A 58 -11.028 -23.411 20.330 1.00 0.00 O ATOM 898 CB CYS A 58 -10.720 -20.238 20.619 1.00 0.00 C ATOM 899 SG CYS A 58 -10.480 -18.875 19.449 1.00 0.00 S ATOM 0 H CYS A 58 -13.126 -19.649 20.882 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.737 -21.291 19.038 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.979 -19.844 21.602 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.792 -20.798 20.734 1.00 0.00 H new