USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 434 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= -6.07 K(o=-4.8,f=-12!) USER MOD Set 1.2: A 48 THR OG1 : rot 100:sc= 0.0189 USER MOD Set 1.3: A 50 THR OG1 : rot -87:sc= 1.29 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.42 K(o=-0.1,f=-4.7!) USER MOD Set 2.2: A 33 TYR OH : rot -94:sc= -0.523 USER MOD Single : A 4 MET CE :methyl 143:sc= -0.45 (180deg=-2.22!) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc=-0.00931 (180deg=-0.25) USER MOD Single : A 8 TYR OH : rot -20:sc= -2.05! USER MOD Single : A 16 TYR OH : rot 30:sc= -2.95! USER MOD Single : A 20 LYS NZ :NH3+ 160:sc= -0.269 (180deg=-1.26) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -22:sc= 0.518 USER MOD Single : A 34 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.35) USER MOD Single : A 35 ASN : amide:sc= -7.21! C(o=-7.2!,f=-21!) USER MOD Single : A 38 MET CE :methyl -116:sc=-0.00579 (180deg=-0.265) USER MOD Single : A 41 HIS : no HE2:sc= 0.643 K(o=0.64,f=-3.5!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 49 ASN : amide:sc=-0.00634 K(o=-0.0063,f=-1.7!) USER MOD Single : A 51 HIS : no HD1:sc= -0.325 K(o=-0.33,f=-0.93) USER MOD Single : A 54 SER OG : rot 180:sc= 0 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 4.331 -29.899 2.556 1.00 0.00 N ATOM 42 CA MET A 4 4.042 -30.894 1.486 1.00 0.00 C ATOM 43 C MET A 4 5.081 -30.740 0.376 1.00 0.00 C ATOM 44 O MET A 4 5.254 -31.609 -0.455 1.00 0.00 O ATOM 45 CB MET A 4 2.645 -30.642 0.917 1.00 0.00 C ATOM 46 CG MET A 4 1.607 -30.797 2.029 1.00 0.00 C ATOM 47 SD MET A 4 -0.055 -30.728 1.317 1.00 0.00 S ATOM 48 CE MET A 4 0.093 -32.186 0.256 1.00 0.00 C ATOM 0 HA MET A 4 4.085 -31.903 1.897 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.590 -29.641 0.490 1.00 0.00 H new ATOM 0 HB3 MET A 4 2.437 -31.345 0.110 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.753 -31.744 2.548 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.730 -30.006 2.769 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.857 -32.720 0.237 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.355 -31.875 -0.755 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.871 -32.843 0.646 1.00 0.00 H new ATOM 58 N CYS A 5 5.777 -29.636 0.361 1.00 0.00 N ATOM 59 CA CYS A 5 6.810 -29.416 -0.686 1.00 0.00 C ATOM 60 C CYS A 5 8.162 -29.913 -0.170 1.00 0.00 C ATOM 61 O CYS A 5 9.078 -30.154 -0.929 1.00 0.00 O ATOM 62 CB CYS A 5 6.898 -27.920 -1.001 1.00 0.00 C ATOM 63 SG CYS A 5 5.293 -27.338 -1.602 1.00 0.00 S ATOM 0 H CYS A 5 5.673 -28.875 1.032 1.00 0.00 H new ATOM 0 HA CYS A 5 6.543 -29.962 -1.591 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.188 -27.365 -0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.667 -27.740 -1.752 1.00 0.00 H new ATOM 68 N LYS A 6 8.291 -30.073 1.120 1.00 0.00 N ATOM 69 CA LYS A 6 9.580 -30.561 1.684 1.00 0.00 C ATOM 70 C LYS A 6 9.681 -32.076 1.490 1.00 0.00 C ATOM 71 O LYS A 6 10.650 -32.697 1.878 1.00 0.00 O ATOM 72 CB LYS A 6 9.639 -30.239 3.180 1.00 0.00 C ATOM 73 CG LYS A 6 9.246 -28.779 3.409 1.00 0.00 C ATOM 74 CD LYS A 6 9.624 -28.368 4.833 1.00 0.00 C ATOM 75 CE LYS A 6 9.439 -26.859 4.998 1.00 0.00 C ATOM 76 NZ LYS A 6 10.538 -26.144 4.288 1.00 0.00 N ATOM 0 H LYS A 6 7.559 -29.887 1.806 1.00 0.00 H new ATOM 0 HA LYS A 6 10.407 -30.070 1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.967 -30.897 3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.644 -30.419 3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.752 -28.137 2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.175 -28.651 3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.003 -28.901 5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.659 -28.642 5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.473 -26.554 4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.442 -26.595 6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.611 -25.172 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.437 -26.642 4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.334 -26.119 3.268 1.00 0.00 H new ATOM 90 N ASP A 7 8.685 -32.677 0.897 1.00 0.00 N ATOM 91 CA ASP A 7 8.726 -34.152 0.686 1.00 0.00 C ATOM 92 C ASP A 7 8.979 -34.457 -0.792 1.00 0.00 C ATOM 93 O ASP A 7 9.220 -35.587 -1.168 1.00 0.00 O ATOM 94 CB ASP A 7 7.389 -34.762 1.110 1.00 0.00 C ATOM 95 CG ASP A 7 6.258 -34.119 0.304 1.00 0.00 C ATOM 96 OD1 ASP A 7 6.541 -33.589 -0.757 1.00 0.00 O ATOM 97 OD2 ASP A 7 5.128 -34.168 0.763 1.00 0.00 O ATOM 0 H ASP A 7 7.846 -32.211 0.550 1.00 0.00 H new ATOM 0 HA ASP A 7 9.531 -34.580 1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.400 -35.840 0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.226 -34.604 2.176 1.00 0.00 H new ATOM 102 N TYR A 8 8.927 -33.462 -1.634 1.00 0.00 N ATOM 103 CA TYR A 8 9.164 -33.706 -3.084 1.00 0.00 C ATOM 104 C TYR A 8 10.534 -33.139 -3.481 1.00 0.00 C ATOM 105 O TYR A 8 11.172 -32.439 -2.720 1.00 0.00 O ATOM 106 CB TYR A 8 8.037 -33.043 -3.902 1.00 0.00 C ATOM 107 CG TYR A 8 8.459 -31.676 -4.400 1.00 0.00 C ATOM 108 CD1 TYR A 8 8.319 -30.558 -3.573 1.00 0.00 C ATOM 109 CD2 TYR A 8 8.992 -31.533 -5.686 1.00 0.00 C ATOM 110 CE1 TYR A 8 8.709 -29.295 -4.031 1.00 0.00 C ATOM 111 CE2 TYR A 8 9.383 -30.270 -6.145 1.00 0.00 C ATOM 112 CZ TYR A 8 9.241 -29.150 -5.317 1.00 0.00 C ATOM 113 OH TYR A 8 9.628 -27.906 -5.769 1.00 0.00 O ATOM 0 H TYR A 8 8.731 -32.493 -1.381 1.00 0.00 H new ATOM 0 HA TYR A 8 9.161 -34.777 -3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.776 -33.678 -4.749 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.143 -32.949 -3.286 1.00 0.00 H new ATOM 0 HD1 TYR A 8 7.910 -30.669 -2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.102 -32.397 -6.324 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.599 -28.431 -3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 8 9.794 -30.159 -7.138 1.00 0.00 H new ATOM 0 HH TYR A 8 9.186 -27.212 -5.236 1.00 0.00 H new ATOM 123 N ARG A 9 10.984 -33.433 -4.670 1.00 0.00 N ATOM 124 CA ARG A 9 12.304 -32.907 -5.118 1.00 0.00 C ATOM 125 C ARG A 9 12.165 -32.336 -6.532 1.00 0.00 C ATOM 126 O ARG A 9 11.227 -32.637 -7.242 1.00 0.00 O ATOM 127 CB ARG A 9 13.332 -34.040 -5.112 1.00 0.00 C ATOM 128 CG ARG A 9 13.669 -34.408 -3.665 1.00 0.00 C ATOM 129 CD ARG A 9 14.813 -35.423 -3.645 1.00 0.00 C ATOM 130 NE ARG A 9 14.864 -36.086 -2.312 1.00 0.00 N ATOM 131 CZ ARG A 9 15.289 -37.315 -2.209 1.00 0.00 C ATOM 132 NH1 ARG A 9 16.549 -37.553 -1.963 1.00 0.00 N ATOM 133 NH2 ARG A 9 14.454 -38.309 -2.348 1.00 0.00 N ATOM 0 H ARG A 9 10.495 -34.015 -5.350 1.00 0.00 H new ATOM 0 HA ARG A 9 12.637 -32.120 -4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.936 -34.909 -5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.234 -33.731 -5.641 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.953 -33.515 -3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.791 -34.825 -3.172 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.667 -36.167 -4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.760 -34.924 -3.852 1.00 0.00 H new ATOM 0 HE ARG A 9 14.566 -35.578 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.202 -36.778 -1.851 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.880 -38.514 -1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.469 -38.125 -2.537 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.787 -39.270 -2.267 1.00 0.00 H new ATOM 147 N VAL A 10 13.085 -31.507 -6.943 1.00 0.00 N ATOM 148 CA VAL A 10 12.993 -30.914 -8.308 1.00 0.00 C ATOM 149 C VAL A 10 14.387 -30.851 -8.942 1.00 0.00 C ATOM 150 O VAL A 10 15.391 -31.007 -8.274 1.00 0.00 O ATOM 151 CB VAL A 10 12.416 -29.501 -8.202 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.394 -28.610 -7.436 1.00 0.00 C ATOM 153 CG2 VAL A 10 12.193 -28.930 -9.604 1.00 0.00 C ATOM 0 H VAL A 10 13.894 -31.215 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 10 12.346 -31.532 -8.930 1.00 0.00 H new ATOM 0 HB VAL A 10 11.464 -29.536 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.985 -27.603 -7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.549 -29.016 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.346 -28.576 -7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.782 -27.924 -9.526 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.143 -28.894 -10.137 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.495 -29.566 -10.149 1.00 0.00 H new ATOM 163 N LEU A 11 14.454 -30.623 -10.226 1.00 0.00 N ATOM 164 CA LEU A 11 15.779 -30.549 -10.906 1.00 0.00 C ATOM 165 C LEU A 11 15.925 -29.184 -11.583 1.00 0.00 C ATOM 166 O LEU A 11 15.003 -28.392 -11.604 1.00 0.00 O ATOM 167 CB LEU A 11 15.871 -31.652 -11.965 1.00 0.00 C ATOM 168 CG LEU A 11 16.842 -32.737 -11.496 1.00 0.00 C ATOM 169 CD1 LEU A 11 16.052 -33.960 -11.028 1.00 0.00 C ATOM 170 CD2 LEU A 11 17.760 -33.135 -12.653 1.00 0.00 C ATOM 0 H LEU A 11 13.647 -30.485 -10.834 1.00 0.00 H new ATOM 0 HA LEU A 11 16.574 -30.681 -10.172 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.886 -32.084 -12.141 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.209 -31.233 -12.913 1.00 0.00 H new ATOM 0 HG LEU A 11 17.443 -32.355 -10.671 1.00 0.00 H new ATOM 0 HD11 LEU A 11 16.743 -34.734 -10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.398 -33.677 -10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.451 -34.342 -11.853 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.452 -33.908 -12.319 1.00 0.00 H new ATOM 0 HD22 LEU A 11 17.160 -33.517 -13.479 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.323 -32.264 -12.987 1.00 0.00 H new ATOM 182 N PRO A 12 17.111 -28.906 -12.148 1.00 0.00 N ATOM 183 CA PRO A 12 17.387 -27.634 -12.832 1.00 0.00 C ATOM 184 C PRO A 12 16.583 -27.499 -14.128 1.00 0.00 C ATOM 185 O PRO A 12 16.332 -26.408 -14.602 1.00 0.00 O ATOM 186 CB PRO A 12 18.881 -27.715 -13.147 1.00 0.00 C ATOM 187 CG PRO A 12 19.171 -29.177 -13.195 1.00 0.00 C ATOM 188 CD PRO A 12 18.276 -29.808 -12.167 1.00 0.00 C ATOM 0 HA PRO A 12 17.113 -26.773 -12.223 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.114 -27.232 -14.096 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.476 -27.217 -12.382 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.973 -29.582 -14.187 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.220 -29.375 -12.974 1.00 0.00 H new ATOM 0 HD2 PRO A 12 17.996 -30.824 -12.444 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.759 -29.865 -11.191 1.00 0.00 H new ATOM 196 N ARG A 13 16.174 -28.597 -14.702 1.00 0.00 N ATOM 197 CA ARG A 13 15.384 -28.529 -15.964 1.00 0.00 C ATOM 198 C ARG A 13 13.896 -28.427 -15.622 1.00 0.00 C ATOM 199 O ARG A 13 13.089 -28.016 -16.431 1.00 0.00 O ATOM 200 CB ARG A 13 15.632 -29.791 -16.792 1.00 0.00 C ATOM 201 CG ARG A 13 14.812 -29.725 -18.082 1.00 0.00 C ATOM 202 CD ARG A 13 15.368 -28.624 -18.986 1.00 0.00 C ATOM 203 NE ARG A 13 14.476 -28.452 -20.166 1.00 0.00 N ATOM 204 CZ ARG A 13 13.312 -27.876 -20.026 1.00 0.00 C ATOM 205 NH1 ARG A 13 13.181 -26.856 -19.223 1.00 0.00 N ATOM 206 NH2 ARG A 13 12.281 -28.322 -20.690 1.00 0.00 N ATOM 0 H ARG A 13 16.353 -29.538 -14.352 1.00 0.00 H new ATOM 0 HA ARG A 13 15.689 -27.655 -16.539 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.692 -29.882 -17.027 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.356 -30.675 -16.218 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.847 -30.685 -18.597 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.766 -29.526 -17.850 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.442 -27.688 -18.433 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.375 -28.881 -19.313 1.00 0.00 H new ATOM 0 HE ARG A 13 14.774 -28.784 -21.083 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.988 -26.508 -18.704 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.272 -26.406 -19.114 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.385 -29.120 -21.317 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.372 -27.873 -20.582 1.00 0.00 H new ATOM 220 N ILE A 14 13.530 -28.799 -14.426 1.00 0.00 N ATOM 221 CA ILE A 14 12.098 -28.724 -14.026 1.00 0.00 C ATOM 222 C ILE A 14 11.867 -27.450 -13.210 1.00 0.00 C ATOM 223 O ILE A 14 10.822 -26.833 -13.286 1.00 0.00 O ATOM 224 CB ILE A 14 11.744 -29.945 -13.175 1.00 0.00 C ATOM 225 CG1 ILE A 14 11.886 -31.215 -14.018 1.00 0.00 C ATOM 226 CG2 ILE A 14 10.302 -29.822 -12.678 1.00 0.00 C ATOM 227 CD1 ILE A 14 11.504 -32.432 -13.173 1.00 0.00 C ATOM 0 H ILE A 14 14.163 -29.152 -13.708 1.00 0.00 H new ATOM 0 HA ILE A 14 11.469 -28.707 -14.916 1.00 0.00 H new ATOM 0 HB ILE A 14 12.419 -29.998 -12.321 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.246 -31.154 -14.898 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.911 -31.314 -14.376 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.051 -30.692 -12.072 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.200 -28.919 -12.076 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.626 -29.767 -13.532 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.605 -33.337 -13.772 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.163 -32.495 -12.307 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.472 -32.332 -12.837 1.00 0.00 H new ATOM 239 N GLY A 15 12.835 -27.053 -12.431 1.00 0.00 N ATOM 240 CA GLY A 15 12.673 -25.820 -11.609 1.00 0.00 C ATOM 241 C GLY A 15 11.723 -26.106 -10.445 1.00 0.00 C ATOM 242 O GLY A 15 12.122 -26.137 -9.298 1.00 0.00 O ATOM 0 H GLY A 15 13.731 -27.529 -12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.641 -25.492 -11.230 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.280 -25.010 -12.223 1.00 0.00 H new ATOM 246 N TYR A 16 10.467 -26.319 -10.731 1.00 0.00 N ATOM 247 CA TYR A 16 9.495 -26.606 -9.639 1.00 0.00 C ATOM 248 C TYR A 16 8.312 -27.393 -10.203 1.00 0.00 C ATOM 249 O TYR A 16 8.055 -27.381 -11.391 1.00 0.00 O ATOM 250 CB TYR A 16 8.995 -25.291 -9.040 1.00 0.00 C ATOM 251 CG TYR A 16 8.906 -25.435 -7.540 1.00 0.00 C ATOM 252 CD1 TYR A 16 10.043 -25.231 -6.751 1.00 0.00 C ATOM 253 CD2 TYR A 16 7.689 -25.778 -6.940 1.00 0.00 C ATOM 254 CE1 TYR A 16 9.964 -25.370 -5.362 1.00 0.00 C ATOM 255 CE2 TYR A 16 7.609 -25.919 -5.550 1.00 0.00 C ATOM 256 CZ TYR A 16 8.748 -25.714 -4.760 1.00 0.00 C ATOM 257 OH TYR A 16 8.674 -25.854 -3.389 1.00 0.00 O ATOM 0 H TYR A 16 10.073 -26.307 -11.672 1.00 0.00 H new ATOM 0 HA TYR A 16 9.985 -27.194 -8.863 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.672 -24.477 -9.300 1.00 0.00 H new ATOM 0 HB3 TYR A 16 8.018 -25.037 -9.452 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.982 -24.966 -7.215 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.811 -25.934 -7.550 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.842 -25.212 -4.753 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.671 -26.185 -5.087 1.00 0.00 H new ATOM 0 HH TYR A 16 9.327 -25.260 -2.964 1.00 0.00 H new ATOM 267 N LEU A 17 7.590 -28.081 -9.360 1.00 0.00 N ATOM 268 CA LEU A 17 6.426 -28.871 -9.851 1.00 0.00 C ATOM 269 C LEU A 17 5.178 -28.510 -9.042 1.00 0.00 C ATOM 270 O LEU A 17 5.095 -28.772 -7.857 1.00 0.00 O ATOM 271 CB LEU A 17 6.722 -30.364 -9.694 1.00 0.00 C ATOM 272 CG LEU A 17 5.560 -31.178 -10.265 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.578 -31.094 -11.793 1.00 0.00 C ATOM 274 CD2 LEU A 17 5.705 -32.639 -9.835 1.00 0.00 C ATOM 0 H LEU A 17 7.756 -28.130 -8.355 1.00 0.00 H new ATOM 0 HA LEU A 17 6.252 -28.642 -10.902 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.647 -30.618 -10.212 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.868 -30.608 -8.642 1.00 0.00 H new ATOM 0 HG LEU A 17 4.618 -30.778 -9.891 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.750 -31.674 -12.199 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.478 -30.053 -12.101 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.520 -31.494 -12.168 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.878 -33.221 -10.241 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.648 -33.037 -10.211 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.693 -32.701 -8.747 1.00 0.00 H new ATOM 286 N CYS A 18 4.205 -27.915 -9.675 1.00 0.00 N ATOM 287 CA CYS A 18 2.958 -27.541 -8.953 1.00 0.00 C ATOM 288 C CYS A 18 1.751 -28.013 -9.767 1.00 0.00 C ATOM 289 O CYS A 18 1.841 -28.219 -10.960 1.00 0.00 O ATOM 290 CB CYS A 18 2.898 -26.020 -8.787 1.00 0.00 C ATOM 291 SG CYS A 18 4.322 -25.467 -7.815 1.00 0.00 S ATOM 0 H CYS A 18 4.221 -27.671 -10.665 1.00 0.00 H new ATOM 0 HA CYS A 18 2.947 -28.011 -7.969 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.900 -25.536 -9.764 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.971 -25.733 -8.291 1.00 0.00 H new ATOM 296 N PRO A 19 0.601 -28.188 -9.103 1.00 0.00 N ATOM 297 CA PRO A 19 -0.631 -28.637 -9.761 1.00 0.00 C ATOM 298 C PRO A 19 -1.209 -27.553 -10.674 1.00 0.00 C ATOM 299 O PRO A 19 -0.809 -26.407 -10.625 1.00 0.00 O ATOM 300 CB PRO A 19 -1.583 -28.906 -8.596 1.00 0.00 C ATOM 301 CG PRO A 19 -1.079 -28.045 -7.488 1.00 0.00 C ATOM 302 CD PRO A 19 0.412 -27.958 -7.662 1.00 0.00 C ATOM 0 HA PRO A 19 -0.464 -29.506 -10.398 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.610 -28.653 -8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.576 -29.959 -8.314 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.533 -27.055 -7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.332 -28.473 -6.518 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.796 -26.985 -7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.931 -28.707 -7.064 1.00 0.00 H new ATOM 310 N LYS A 20 -2.146 -27.907 -11.509 1.00 0.00 N ATOM 311 CA LYS A 20 -2.745 -26.897 -12.425 1.00 0.00 C ATOM 312 C LYS A 20 -3.925 -26.217 -11.730 1.00 0.00 C ATOM 313 O LYS A 20 -4.379 -25.167 -12.140 1.00 0.00 O ATOM 314 CB LYS A 20 -3.231 -27.590 -13.700 1.00 0.00 C ATOM 315 CG LYS A 20 -3.629 -26.538 -14.736 1.00 0.00 C ATOM 316 CD LYS A 20 -4.192 -27.234 -15.976 1.00 0.00 C ATOM 317 CE LYS A 20 -4.495 -26.192 -17.055 1.00 0.00 C ATOM 318 NZ LYS A 20 -3.307 -25.313 -17.246 1.00 0.00 N ATOM 0 H LYS A 20 -2.522 -28.851 -11.597 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.996 -26.149 -12.683 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.445 -28.230 -14.100 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.082 -28.233 -13.475 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.373 -25.861 -14.316 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.764 -25.932 -15.006 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.476 -27.965 -16.352 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.099 -27.780 -15.719 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.749 -26.687 -17.992 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.360 -25.595 -16.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.367 -24.844 -18.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.283 -24.594 -16.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.440 -25.887 -17.204 1.00 0.00 H new ATOM 332 N ASP A 21 -4.422 -26.805 -10.678 1.00 0.00 N ATOM 333 CA ASP A 21 -5.570 -26.191 -9.954 1.00 0.00 C ATOM 334 C ASP A 21 -5.089 -24.947 -9.209 1.00 0.00 C ATOM 335 O ASP A 21 -4.116 -24.985 -8.482 1.00 0.00 O ATOM 336 CB ASP A 21 -6.141 -27.196 -8.954 1.00 0.00 C ATOM 337 CG ASP A 21 -6.462 -28.506 -9.676 1.00 0.00 C ATOM 338 OD1 ASP A 21 -6.541 -28.485 -10.894 1.00 0.00 O ATOM 339 OD2 ASP A 21 -6.624 -29.509 -9.000 1.00 0.00 O ATOM 0 H ASP A 21 -4.083 -27.684 -10.288 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.345 -25.913 -10.668 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.424 -27.376 -8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.042 -26.793 -8.491 1.00 0.00 H new ATOM 344 N LEU A 22 -5.761 -23.843 -9.382 1.00 0.00 N ATOM 345 CA LEU A 22 -5.337 -22.600 -8.682 1.00 0.00 C ATOM 346 C LEU A 22 -6.061 -22.497 -7.339 1.00 0.00 C ATOM 347 O LEU A 22 -7.266 -22.352 -7.282 1.00 0.00 O ATOM 348 CB LEU A 22 -5.688 -21.382 -9.541 1.00 0.00 C ATOM 349 CG LEU A 22 -4.684 -20.259 -9.273 1.00 0.00 C ATOM 350 CD1 LEU A 22 -5.220 -18.948 -9.851 1.00 0.00 C ATOM 351 CD2 LEU A 22 -4.476 -20.102 -7.764 1.00 0.00 C ATOM 0 H LEU A 22 -6.584 -23.748 -9.977 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.260 -22.630 -8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.673 -21.652 -10.597 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.698 -21.042 -9.313 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.733 -20.505 -9.745 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.505 -18.147 -9.661 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.365 -19.057 -10.926 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.172 -18.705 -9.379 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.760 -19.301 -7.577 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.426 -19.858 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.093 -21.035 -7.350 1.00 0.00 H new ATOM 363 N LYS A 23 -5.335 -22.566 -6.258 1.00 0.00 N ATOM 364 CA LYS A 23 -5.987 -22.465 -4.922 1.00 0.00 C ATOM 365 C LYS A 23 -5.298 -21.369 -4.108 1.00 0.00 C ATOM 366 O LYS A 23 -4.185 -21.533 -3.648 1.00 0.00 O ATOM 367 CB LYS A 23 -5.867 -23.800 -4.179 1.00 0.00 C ATOM 368 CG LYS A 23 -5.813 -24.952 -5.186 1.00 0.00 C ATOM 369 CD LYS A 23 -6.526 -26.173 -4.601 1.00 0.00 C ATOM 370 CE LYS A 23 -5.664 -26.786 -3.496 1.00 0.00 C ATOM 371 NZ LYS A 23 -6.522 -27.599 -2.589 1.00 0.00 N ATOM 0 H LYS A 23 -4.322 -22.687 -6.241 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.042 -22.223 -5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.969 -23.803 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.716 -23.931 -3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.287 -24.654 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.777 -25.199 -5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.497 -25.883 -4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.711 -26.909 -5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.884 -27.410 -3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.164 -25.999 -2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.936 -28.016 -1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.250 -26.991 -2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.980 -28.359 -3.132 1.00 0.00 H new ATOM 385 N PRO A 24 -5.979 -20.227 -3.932 1.00 0.00 N ATOM 386 CA PRO A 24 -5.442 -19.089 -3.175 1.00 0.00 C ATOM 387 C PRO A 24 -5.259 -19.427 -1.696 1.00 0.00 C ATOM 388 O PRO A 24 -6.206 -19.709 -0.992 1.00 0.00 O ATOM 389 CB PRO A 24 -6.514 -18.010 -3.346 1.00 0.00 C ATOM 390 CG PRO A 24 -7.762 -18.772 -3.632 1.00 0.00 C ATOM 391 CD PRO A 24 -7.332 -19.956 -4.447 1.00 0.00 C ATOM 0 HA PRO A 24 -4.457 -18.786 -3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.616 -17.404 -2.446 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.267 -17.330 -4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.249 -19.087 -2.709 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.479 -18.159 -4.178 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.997 -20.808 -4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.322 -19.732 -5.514 1.00 0.00 H new ATOM 399 N VAL A 25 -4.045 -19.406 -1.220 1.00 0.00 N ATOM 400 CA VAL A 25 -3.804 -19.730 0.215 1.00 0.00 C ATOM 401 C VAL A 25 -3.271 -18.496 0.940 1.00 0.00 C ATOM 402 O VAL A 25 -2.683 -17.616 0.343 1.00 0.00 O ATOM 403 CB VAL A 25 -2.775 -20.856 0.322 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.259 -22.071 -0.471 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.439 -20.375 -0.247 1.00 0.00 C ATOM 0 H VAL A 25 -3.211 -19.179 -1.761 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.743 -20.045 0.671 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.649 -21.135 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.524 -22.872 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.212 -22.413 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.386 -21.795 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.703 -21.175 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.568 -20.097 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.093 -19.510 0.318 1.00 0.00 H new ATOM 415 N CYS A 26 -3.465 -18.430 2.227 1.00 0.00 N ATOM 416 CA CYS A 26 -2.962 -17.259 2.996 1.00 0.00 C ATOM 417 C CYS A 26 -1.625 -17.622 3.639 1.00 0.00 C ATOM 418 O CYS A 26 -1.522 -18.581 4.375 1.00 0.00 O ATOM 419 CB CYS A 26 -3.970 -16.888 4.085 1.00 0.00 C ATOM 420 SG CYS A 26 -3.317 -15.512 5.063 1.00 0.00 S ATOM 0 H CYS A 26 -3.950 -19.137 2.780 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.830 -16.409 2.326 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.923 -16.609 3.635 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.161 -17.747 4.728 1.00 0.00 H new ATOM 425 N GLY A 27 -0.600 -16.869 3.364 1.00 0.00 N ATOM 426 CA GLY A 27 0.731 -17.175 3.956 1.00 0.00 C ATOM 427 C GLY A 27 0.763 -16.718 5.416 1.00 0.00 C ATOM 428 O GLY A 27 0.287 -15.652 5.755 1.00 0.00 O ATOM 0 H GLY A 27 -0.626 -16.052 2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.929 -18.245 3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.516 -16.673 3.390 1.00 0.00 H new ATOM 432 N ASP A 28 1.326 -17.515 6.281 1.00 0.00 N ATOM 433 CA ASP A 28 1.395 -17.128 7.718 1.00 0.00 C ATOM 434 C ASP A 28 2.340 -15.933 7.879 1.00 0.00 C ATOM 435 O ASP A 28 2.448 -15.355 8.942 1.00 0.00 O ATOM 436 CB ASP A 28 1.915 -18.307 8.542 1.00 0.00 C ATOM 437 CG ASP A 28 3.288 -18.732 8.016 1.00 0.00 C ATOM 438 OD1 ASP A 28 3.750 -18.123 7.066 1.00 0.00 O ATOM 439 OD2 ASP A 28 3.852 -19.660 8.574 1.00 0.00 O ATOM 0 H ASP A 28 1.742 -18.419 6.055 1.00 0.00 H new ATOM 0 HA ASP A 28 0.400 -16.854 8.069 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.987 -18.026 9.593 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.217 -19.142 8.483 1.00 0.00 H new ATOM 444 N ASP A 29 3.022 -15.557 6.832 1.00 0.00 N ATOM 445 CA ASP A 29 3.954 -14.399 6.926 1.00 0.00 C ATOM 446 C ASP A 29 3.196 -13.107 6.613 1.00 0.00 C ATOM 447 O ASP A 29 3.779 -12.048 6.492 1.00 0.00 O ATOM 448 CB ASP A 29 5.093 -14.578 5.920 1.00 0.00 C ATOM 449 CG ASP A 29 6.014 -15.707 6.387 1.00 0.00 C ATOM 450 OD1 ASP A 29 5.846 -16.154 7.509 1.00 0.00 O ATOM 451 OD2 ASP A 29 6.870 -16.105 5.615 1.00 0.00 O ATOM 0 H ASP A 29 2.974 -16.002 5.915 1.00 0.00 H new ATOM 0 HA ASP A 29 4.365 -14.344 7.934 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.689 -14.808 4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.657 -13.650 5.824 1.00 0.00 H new ATOM 456 N GLY A 30 1.900 -13.186 6.480 1.00 0.00 N ATOM 457 CA GLY A 30 1.107 -11.962 6.173 1.00 0.00 C ATOM 458 C GLY A 30 1.008 -11.787 4.657 1.00 0.00 C ATOM 459 O GLY A 30 0.616 -10.747 4.166 1.00 0.00 O ATOM 0 H GLY A 30 1.357 -14.044 6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.110 -12.043 6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.579 -11.088 6.621 1.00 0.00 H new ATOM 463 N GLN A 31 1.363 -12.796 3.910 1.00 0.00 N ATOM 464 CA GLN A 31 1.288 -12.687 2.427 1.00 0.00 C ATOM 465 C GLN A 31 0.306 -13.730 1.892 1.00 0.00 C ATOM 466 O GLN A 31 -0.088 -14.639 2.594 1.00 0.00 O ATOM 467 CB GLN A 31 2.674 -12.936 1.824 1.00 0.00 C ATOM 468 CG GLN A 31 3.538 -11.685 1.994 1.00 0.00 C ATOM 469 CD GLN A 31 4.984 -12.009 1.614 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.292 -13.124 1.242 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.891 -11.074 1.692 1.00 0.00 N ATOM 0 H GLN A 31 1.702 -13.691 4.263 1.00 0.00 H new ATOM 0 HA GLN A 31 0.948 -11.689 2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.148 -13.787 2.314 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.583 -13.187 0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.158 -10.879 1.366 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.491 -11.335 3.025 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.633 -10.138 2.004 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.858 -11.279 1.441 1.00 0.00 H new ATOM 480 N THR A 32 -0.092 -13.609 0.657 1.00 0.00 N ATOM 481 CA THR A 32 -1.047 -14.599 0.081 1.00 0.00 C ATOM 482 C THR A 32 -0.475 -15.153 -1.222 1.00 0.00 C ATOM 483 O THR A 32 0.063 -14.426 -2.035 1.00 0.00 O ATOM 484 CB THR A 32 -2.387 -13.918 -0.204 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.851 -13.277 0.976 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.403 -14.968 -0.652 1.00 0.00 C ATOM 0 H THR A 32 0.202 -12.868 0.021 1.00 0.00 H new ATOM 0 HA THR A 32 -1.198 -15.411 0.792 1.00 0.00 H new ATOM 0 HB THR A 32 -2.261 -13.176 -0.992 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.430 -13.689 1.759 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.359 -14.486 -0.856 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.044 -15.459 -1.557 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.532 -15.710 0.136 1.00 0.00 H new ATOM 494 N TYR A 33 -0.583 -16.434 -1.429 1.00 0.00 N ATOM 495 CA TYR A 33 -0.044 -17.030 -2.680 1.00 0.00 C ATOM 496 C TYR A 33 -1.198 -17.576 -3.519 1.00 0.00 C ATOM 497 O TYR A 33 -2.049 -18.292 -3.031 1.00 0.00 O ATOM 498 CB TYR A 33 0.924 -18.160 -2.325 1.00 0.00 C ATOM 499 CG TYR A 33 1.996 -17.616 -1.414 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.711 -17.375 -0.064 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.274 -17.345 -1.917 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.703 -16.864 0.780 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.265 -16.832 -1.072 1.00 0.00 C ATOM 504 CZ TYR A 33 3.980 -16.593 0.277 1.00 0.00 C ATOM 505 OH TYR A 33 4.957 -16.089 1.110 1.00 0.00 O ATOM 0 H TYR A 33 -1.021 -17.094 -0.786 1.00 0.00 H new ATOM 0 HA TYR A 33 0.486 -16.270 -3.253 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.390 -18.974 -1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.371 -18.572 -3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.726 -17.584 0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.495 -17.532 -2.957 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.483 -16.679 1.821 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.250 -16.621 -1.461 1.00 0.00 H new ATOM 0 HH TYR A 33 4.970 -15.111 1.045 1.00 0.00 H new ATOM 515 N ASN A 34 -1.238 -17.236 -4.777 1.00 0.00 N ATOM 516 CA ASN A 34 -2.342 -17.727 -5.644 1.00 0.00 C ATOM 517 C ASN A 34 -2.430 -19.252 -5.551 1.00 0.00 C ATOM 518 O ASN A 34 -3.298 -19.792 -4.897 1.00 0.00 O ATOM 519 CB ASN A 34 -2.087 -17.307 -7.095 1.00 0.00 C ATOM 520 CG ASN A 34 -1.524 -15.885 -7.123 1.00 0.00 C ATOM 521 OD1 ASN A 34 -2.154 -14.959 -6.650 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.355 -15.669 -7.662 1.00 0.00 N ATOM 0 H ASN A 34 -0.553 -16.639 -5.241 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.284 -17.293 -5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.386 -17.996 -7.567 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.014 -17.354 -7.667 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.029 -14.724 -7.686 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.175 -16.445 -8.059 1.00 0.00 H new ATOM 529 N ASN A 35 -1.543 -19.951 -6.197 1.00 0.00 N ATOM 530 CA ASN A 35 -1.584 -21.439 -6.141 1.00 0.00 C ATOM 531 C ASN A 35 -0.911 -21.920 -4.852 1.00 0.00 C ATOM 532 O ASN A 35 0.002 -21.294 -4.351 1.00 0.00 O ATOM 533 CB ASN A 35 -0.861 -22.001 -7.371 1.00 0.00 C ATOM 534 CG ASN A 35 -0.536 -23.481 -7.171 1.00 0.00 C ATOM 535 OD1 ASN A 35 0.220 -23.835 -6.290 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.078 -24.366 -7.963 1.00 0.00 N ATOM 0 H ASN A 35 -0.790 -19.558 -6.762 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.616 -21.789 -6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.485 -21.876 -8.256 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.058 -21.441 -7.547 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.866 -25.356 -7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.713 -24.067 -8.703 1.00 0.00 H new ATOM 543 N PRO A 36 -1.376 -23.055 -4.303 1.00 0.00 N ATOM 544 CA PRO A 36 -0.823 -23.624 -3.064 1.00 0.00 C ATOM 545 C PRO A 36 0.641 -24.042 -3.231 1.00 0.00 C ATOM 546 O PRO A 36 1.500 -23.631 -2.477 1.00 0.00 O ATOM 547 CB PRO A 36 -1.710 -24.845 -2.805 1.00 0.00 C ATOM 548 CG PRO A 36 -2.249 -25.195 -4.148 1.00 0.00 C ATOM 549 CD PRO A 36 -2.471 -23.882 -4.841 1.00 0.00 C ATOM 0 HA PRO A 36 -0.824 -22.907 -2.243 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.139 -25.669 -2.378 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.511 -24.614 -2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.548 -25.819 -4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.179 -25.758 -4.064 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.413 -23.979 -5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.450 -23.461 -4.611 1.00 0.00 H new ATOM 557 N CYS A 37 0.939 -24.839 -4.220 1.00 0.00 N ATOM 558 CA CYS A 37 2.353 -25.254 -4.428 1.00 0.00 C ATOM 559 C CYS A 37 3.178 -24.009 -4.756 1.00 0.00 C ATOM 560 O CYS A 37 4.356 -23.937 -4.466 1.00 0.00 O ATOM 561 CB CYS A 37 2.429 -26.244 -5.591 1.00 0.00 C ATOM 562 SG CYS A 37 4.156 -26.484 -6.078 1.00 0.00 S ATOM 0 H CYS A 37 0.269 -25.218 -4.889 1.00 0.00 H new ATOM 0 HA CYS A 37 2.741 -25.733 -3.529 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.988 -27.197 -5.299 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.851 -25.871 -6.437 1.00 0.00 H new ATOM 567 N MET A 38 2.561 -23.022 -5.350 1.00 0.00 N ATOM 568 CA MET A 38 3.299 -21.774 -5.688 1.00 0.00 C ATOM 569 C MET A 38 3.842 -21.167 -4.397 1.00 0.00 C ATOM 570 O MET A 38 4.804 -20.424 -4.398 1.00 0.00 O ATOM 571 CB MET A 38 2.344 -20.785 -6.363 1.00 0.00 C ATOM 572 CG MET A 38 2.457 -20.924 -7.883 1.00 0.00 C ATOM 573 SD MET A 38 4.149 -20.543 -8.400 1.00 0.00 S ATOM 574 CE MET A 38 4.009 -18.741 -8.321 1.00 0.00 C ATOM 0 H MET A 38 1.576 -23.028 -5.615 1.00 0.00 H new ATOM 0 HA MET A 38 4.121 -21.995 -6.369 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.319 -20.977 -6.045 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.586 -19.766 -6.061 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.192 -21.937 -8.187 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.755 -20.250 -8.374 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.136 -18.322 -9.319 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.026 -18.469 -7.936 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.780 -18.345 -7.660 1.00 0.00 H new ATOM 584 N LEU A 39 3.228 -21.489 -3.292 1.00 0.00 N ATOM 585 CA LEU A 39 3.694 -20.951 -1.986 1.00 0.00 C ATOM 586 C LEU A 39 5.117 -21.430 -1.723 1.00 0.00 C ATOM 587 O LEU A 39 5.971 -20.674 -1.306 1.00 0.00 O ATOM 588 CB LEU A 39 2.767 -21.455 -0.880 1.00 0.00 C ATOM 589 CG LEU A 39 3.364 -21.116 0.485 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.271 -19.608 0.723 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.592 -21.855 1.579 1.00 0.00 C ATOM 0 H LEU A 39 2.418 -22.106 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 39 3.679 -19.861 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.782 -20.998 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.629 -22.532 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 39 4.410 -21.423 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.697 -19.366 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.824 -19.082 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.226 -19.299 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.019 -21.613 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.546 -21.550 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.661 -22.930 1.410 1.00 0.00 H new ATOM 603 N CYS A 40 5.386 -22.679 -1.975 1.00 0.00 N ATOM 604 CA CYS A 40 6.762 -23.190 -1.749 1.00 0.00 C ATOM 605 C CYS A 40 7.679 -22.605 -2.819 1.00 0.00 C ATOM 606 O CYS A 40 8.883 -22.549 -2.663 1.00 0.00 O ATOM 607 CB CYS A 40 6.774 -24.714 -1.829 1.00 0.00 C ATOM 608 SG CYS A 40 5.257 -25.380 -1.102 1.00 0.00 S ATOM 0 H CYS A 40 4.716 -23.364 -2.326 1.00 0.00 H new ATOM 0 HA CYS A 40 7.109 -22.894 -0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.860 -25.032 -2.868 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.643 -25.108 -1.303 1.00 0.00 H new ATOM 613 N HIS A 41 7.111 -22.153 -3.903 1.00 0.00 N ATOM 614 CA HIS A 41 7.936 -21.550 -4.983 1.00 0.00 C ATOM 615 C HIS A 41 8.418 -20.180 -4.517 1.00 0.00 C ATOM 616 O HIS A 41 9.597 -19.890 -4.518 1.00 0.00 O ATOM 617 CB HIS A 41 7.085 -21.388 -6.241 1.00 0.00 C ATOM 618 CG HIS A 41 7.983 -21.244 -7.439 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.863 -22.240 -7.829 1.00 0.00 N ATOM 620 CD2 HIS A 41 8.150 -20.222 -8.341 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.514 -21.802 -8.922 1.00 0.00 C ATOM 622 NE2 HIS A 41 9.117 -20.576 -9.277 1.00 0.00 N ATOM 0 H HIS A 41 6.108 -22.176 -4.086 1.00 0.00 H new ATOM 0 HA HIS A 41 8.789 -22.191 -5.206 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.432 -22.252 -6.365 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.442 -20.513 -6.148 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.994 -23.142 -7.371 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.612 -19.285 -8.326 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.266 -22.372 -9.448 1.00 0.00 H new ATOM 630 N GLU A 42 7.510 -19.340 -4.098 1.00 0.00 N ATOM 631 CA GLU A 42 7.918 -17.998 -3.611 1.00 0.00 C ATOM 632 C GLU A 42 8.765 -18.183 -2.355 1.00 0.00 C ATOM 633 O GLU A 42 9.512 -17.310 -1.955 1.00 0.00 O ATOM 634 CB GLU A 42 6.673 -17.175 -3.281 1.00 0.00 C ATOM 635 CG GLU A 42 6.013 -16.708 -4.580 1.00 0.00 C ATOM 636 CD GLU A 42 4.896 -15.715 -4.257 1.00 0.00 C ATOM 637 OE1 GLU A 42 4.889 -15.202 -3.149 1.00 0.00 O ATOM 638 OE2 GLU A 42 4.066 -15.484 -5.121 1.00 0.00 O ATOM 0 H GLU A 42 6.508 -19.527 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 42 8.493 -17.475 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.972 -17.773 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.944 -16.315 -2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.754 -16.240 -5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.609 -17.563 -5.122 1.00 0.00 H new ATOM 645 N ASN A 43 8.662 -19.329 -1.738 1.00 0.00 N ATOM 646 CA ASN A 43 9.468 -19.591 -0.514 1.00 0.00 C ATOM 647 C ASN A 43 10.914 -19.845 -0.927 1.00 0.00 C ATOM 648 O ASN A 43 11.845 -19.431 -0.265 1.00 0.00 O ATOM 649 CB ASN A 43 8.919 -20.822 0.210 1.00 0.00 C ATOM 650 CG ASN A 43 7.582 -20.477 0.868 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.296 -19.324 1.123 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.746 -21.436 1.154 1.00 0.00 N ATOM 0 H ASN A 43 8.054 -20.094 -2.030 1.00 0.00 H new ATOM 0 HA ASN A 43 9.416 -18.732 0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.788 -21.643 -0.495 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.630 -21.160 0.964 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.851 -21.219 1.592 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.987 -22.404 0.939 1.00 0.00 H new ATOM 659 N LEU A 44 11.110 -20.517 -2.028 1.00 0.00 N ATOM 660 CA LEU A 44 12.494 -20.790 -2.498 1.00 0.00 C ATOM 661 C LEU A 44 13.233 -19.460 -2.648 1.00 0.00 C ATOM 662 O LEU A 44 14.412 -19.355 -2.375 1.00 0.00 O ATOM 663 CB LEU A 44 12.441 -21.502 -3.852 1.00 0.00 C ATOM 664 CG LEU A 44 13.826 -22.053 -4.199 1.00 0.00 C ATOM 665 CD1 LEU A 44 14.777 -20.895 -4.505 1.00 0.00 C ATOM 666 CD2 LEU A 44 14.367 -22.859 -3.015 1.00 0.00 C ATOM 0 H LEU A 44 10.369 -20.889 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 44 13.014 -21.424 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.714 -22.313 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.110 -20.809 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 44 13.749 -22.699 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.763 -21.289 -4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.393 -20.322 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.854 -20.247 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.353 -23.251 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.442 -22.214 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.691 -23.686 -2.799 1.00 0.00 H new ATOM 678 N ILE A 45 12.539 -18.440 -3.075 1.00 0.00 N ATOM 679 CA ILE A 45 13.189 -17.111 -3.238 1.00 0.00 C ATOM 680 C ILE A 45 13.411 -16.492 -1.858 1.00 0.00 C ATOM 681 O ILE A 45 14.494 -16.050 -1.530 1.00 0.00 O ATOM 682 CB ILE A 45 12.285 -16.197 -4.068 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.626 -17.006 -5.187 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.122 -15.071 -4.677 1.00 0.00 C ATOM 685 CD1 ILE A 45 10.969 -16.053 -6.188 1.00 0.00 C ATOM 0 H ILE A 45 11.549 -18.471 -3.318 1.00 0.00 H new ATOM 0 HA ILE A 45 14.145 -17.230 -3.747 1.00 0.00 H new ATOM 0 HB ILE A 45 11.513 -15.771 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.370 -17.623 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.880 -17.683 -4.770 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.479 -14.419 -5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.590 -14.493 -3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.894 -15.497 -5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.500 -16.630 -6.985 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.213 -15.455 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.726 -15.394 -6.614 1.00 0.00 H new ATOM 697 N ARG A 46 12.391 -16.464 -1.043 1.00 0.00 N ATOM 698 CA ARG A 46 12.545 -15.881 0.320 1.00 0.00 C ATOM 699 C ARG A 46 13.452 -16.788 1.154 1.00 0.00 C ATOM 700 O ARG A 46 14.074 -16.355 2.104 1.00 0.00 O ATOM 701 CB ARG A 46 11.172 -15.777 0.988 1.00 0.00 C ATOM 702 CG ARG A 46 10.365 -14.659 0.323 1.00 0.00 C ATOM 703 CD ARG A 46 9.282 -14.169 1.287 1.00 0.00 C ATOM 704 NE ARG A 46 8.200 -15.190 1.379 1.00 0.00 N ATOM 705 CZ ARG A 46 7.595 -15.601 0.297 1.00 0.00 C ATOM 706 NH1 ARG A 46 6.991 -14.743 -0.478 1.00 0.00 N ATOM 707 NH2 ARG A 46 7.594 -16.870 -0.006 1.00 0.00 N ATOM 0 H ARG A 46 11.460 -16.819 -1.262 1.00 0.00 H new ATOM 0 HA ARG A 46 12.987 -14.887 0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.641 -16.725 0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.288 -15.573 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.023 -13.834 0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.910 -15.023 -0.598 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.712 -13.989 2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.873 -13.220 0.940 1.00 0.00 H new ATOM 0 HE ARG A 46 7.932 -15.568 2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.991 -13.751 -0.239 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.518 -15.064 -1.323 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.065 -17.540 0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.122 -17.192 -0.851 1.00 0.00 H new ATOM 721 N GLN A 47 13.533 -18.042 0.802 1.00 0.00 N ATOM 722 CA GLN A 47 14.399 -18.980 1.570 1.00 0.00 C ATOM 723 C GLN A 47 13.901 -19.072 3.012 1.00 0.00 C ATOM 724 O GLN A 47 14.675 -19.105 3.948 1.00 0.00 O ATOM 725 CB GLN A 47 15.842 -18.470 1.554 1.00 0.00 C ATOM 726 CG GLN A 47 16.374 -18.500 0.120 1.00 0.00 C ATOM 727 CD GLN A 47 17.864 -18.153 0.120 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.383 -17.648 1.096 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.580 -18.406 -0.941 1.00 0.00 N ATOM 0 H GLN A 47 13.036 -18.458 0.014 1.00 0.00 H new ATOM 0 HA GLN A 47 14.360 -19.969 1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.885 -17.455 1.949 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.466 -19.089 2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.220 -19.487 -0.316 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.825 -17.790 -0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.145 -18.830 -1.761 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.575 -18.180 -0.951 1.00 0.00 H new ATOM 738 N THR A 48 12.610 -19.117 3.198 1.00 0.00 N ATOM 739 CA THR A 48 12.057 -19.210 4.577 1.00 0.00 C ATOM 740 C THR A 48 11.062 -20.371 4.643 1.00 0.00 C ATOM 741 O THR A 48 10.685 -20.934 3.635 1.00 0.00 O ATOM 742 CB THR A 48 11.343 -17.903 4.931 1.00 0.00 C ATOM 743 OG1 THR A 48 10.067 -17.879 4.307 1.00 0.00 O ATOM 744 CG2 THR A 48 12.175 -16.716 4.444 1.00 0.00 C ATOM 0 H THR A 48 11.914 -19.093 2.453 1.00 0.00 H new ATOM 0 HA THR A 48 12.867 -19.381 5.286 1.00 0.00 H new ATOM 0 HB THR A 48 11.220 -17.837 6.012 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.380 -18.136 4.957 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.665 -15.786 4.697 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.153 -16.736 4.924 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.300 -16.779 3.363 1.00 0.00 H new ATOM 752 N ASN A 49 10.631 -20.734 5.820 1.00 0.00 N ATOM 753 CA ASN A 49 9.661 -21.857 5.943 1.00 0.00 C ATOM 754 C ASN A 49 8.244 -21.293 6.060 1.00 0.00 C ATOM 755 O ASN A 49 7.570 -21.482 7.054 1.00 0.00 O ATOM 756 CB ASN A 49 9.990 -22.684 7.188 1.00 0.00 C ATOM 757 CG ASN A 49 11.403 -23.255 7.063 1.00 0.00 C ATOM 758 OD1 ASN A 49 11.970 -23.273 5.988 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.000 -23.727 8.123 1.00 0.00 N ATOM 0 H ASN A 49 10.909 -20.301 6.701 1.00 0.00 H new ATOM 0 HA ASN A 49 9.727 -22.494 5.061 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.915 -22.063 8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.268 -23.493 7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.942 -24.111 8.049 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.525 -23.712 9.025 1.00 0.00 H new ATOM 766 N THR A 50 7.789 -20.600 5.054 1.00 0.00 N ATOM 767 CA THR A 50 6.417 -20.019 5.106 1.00 0.00 C ATOM 768 C THR A 50 5.381 -21.139 4.996 1.00 0.00 C ATOM 769 O THR A 50 5.443 -21.973 4.114 1.00 0.00 O ATOM 770 CB THR A 50 6.230 -19.046 3.940 1.00 0.00 C ATOM 771 OG1 THR A 50 7.287 -18.097 3.943 1.00 0.00 O ATOM 772 CG2 THR A 50 4.889 -18.321 4.089 1.00 0.00 C ATOM 0 H THR A 50 8.308 -20.410 4.197 1.00 0.00 H new ATOM 0 HA THR A 50 6.286 -19.491 6.050 1.00 0.00 H new ATOM 0 HB THR A 50 6.240 -19.598 3.000 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.053 -17.348 4.530 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.756 -17.628 3.258 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.079 -19.050 4.087 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.877 -17.768 5.028 1.00 0.00 H new ATOM 780 N HIS A 51 4.422 -21.159 5.880 1.00 0.00 N ATOM 781 CA HIS A 51 3.376 -22.217 5.822 1.00 0.00 C ATOM 782 C HIS A 51 2.031 -21.569 5.491 1.00 0.00 C ATOM 783 O HIS A 51 1.894 -20.361 5.507 1.00 0.00 O ATOM 784 CB HIS A 51 3.285 -22.921 7.177 1.00 0.00 C ATOM 785 CG HIS A 51 4.661 -23.339 7.618 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.376 -24.333 6.968 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.466 -22.907 8.643 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.555 -24.465 7.603 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.662 -23.619 8.631 1.00 0.00 N ATOM 0 H HIS A 51 4.318 -20.487 6.641 1.00 0.00 H new ATOM 0 HA HIS A 51 3.632 -22.947 5.055 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.841 -22.254 7.916 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.635 -23.793 7.103 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.210 -22.133 9.351 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.322 -25.170 7.316 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.451 -23.517 9.270 1.00 0.00 H new ATOM 797 N ILE A 52 1.036 -22.355 5.191 1.00 0.00 N ATOM 798 CA ILE A 52 -0.294 -21.769 4.863 1.00 0.00 C ATOM 799 C ILE A 52 -1.016 -21.397 6.157 1.00 0.00 C ATOM 800 O ILE A 52 -1.165 -22.202 7.054 1.00 0.00 O ATOM 801 CB ILE A 52 -1.131 -22.786 4.088 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.439 -23.116 2.765 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.510 -22.187 3.806 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.330 -24.051 1.945 1.00 0.00 C ATOM 0 H ILE A 52 1.085 -23.373 5.159 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.155 -20.878 4.251 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.238 -23.698 4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.242 -22.201 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.525 -23.588 2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.113 -22.907 3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.003 -21.949 4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.398 -21.278 3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.838 -24.287 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.504 -24.971 2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.283 -23.562 1.745 1.00 0.00 H new ATOM 816 N ARG A 53 -1.463 -20.177 6.259 1.00 0.00 N ATOM 817 CA ARG A 53 -2.174 -19.740 7.491 1.00 0.00 C ATOM 818 C ARG A 53 -3.649 -20.120 7.391 1.00 0.00 C ATOM 819 O ARG A 53 -4.217 -20.698 8.296 1.00 0.00 O ATOM 820 CB ARG A 53 -2.055 -18.223 7.629 1.00 0.00 C ATOM 821 CG ARG A 53 -2.642 -17.789 8.970 1.00 0.00 C ATOM 822 CD ARG A 53 -2.695 -16.261 9.032 1.00 0.00 C ATOM 823 NE ARG A 53 -3.187 -15.835 10.373 1.00 0.00 N ATOM 824 CZ ARG A 53 -2.339 -15.437 11.282 1.00 0.00 C ATOM 825 NH1 ARG A 53 -2.052 -14.169 11.395 1.00 0.00 N ATOM 826 NH2 ARG A 53 -1.779 -16.307 12.078 1.00 0.00 N ATOM 0 H ARG A 53 -1.366 -19.461 5.539 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.730 -20.227 8.359 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.010 -17.921 7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.582 -17.730 6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.643 -18.204 9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.034 -18.176 9.788 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.705 -15.844 8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.353 -15.877 8.253 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.186 -15.854 10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.490 -13.490 10.773 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.389 -13.857 12.105 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.004 -17.298 11.990 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.116 -15.996 12.788 1.00 0.00 H new ATOM 840 N SER A 54 -4.273 -19.792 6.299 1.00 0.00 N ATOM 841 CA SER A 54 -5.713 -20.122 6.133 1.00 0.00 C ATOM 842 C SER A 54 -6.008 -20.361 4.652 1.00 0.00 C ATOM 843 O SER A 54 -5.489 -19.681 3.790 1.00 0.00 O ATOM 844 CB SER A 54 -6.561 -18.954 6.639 1.00 0.00 C ATOM 845 OG SER A 54 -6.659 -17.966 5.624 1.00 0.00 O ATOM 0 H SER A 54 -3.846 -19.307 5.510 1.00 0.00 H new ATOM 0 HA SER A 54 -5.953 -21.020 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.555 -19.305 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.112 -18.526 7.536 1.00 0.00 H new ATOM 0 HG SER A 54 -7.204 -17.218 5.947 1.00 0.00 H new ATOM 851 N THR A 55 -6.838 -21.320 4.349 1.00 0.00 N ATOM 852 CA THR A 55 -7.160 -21.594 2.923 1.00 0.00 C ATOM 853 C THR A 55 -7.825 -20.360 2.312 1.00 0.00 C ATOM 854 O THR A 55 -8.578 -19.663 2.962 1.00 0.00 O ATOM 855 CB THR A 55 -8.111 -22.788 2.830 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.421 -22.377 3.196 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.638 -23.895 3.773 1.00 0.00 C ATOM 0 H THR A 55 -7.305 -21.924 5.026 1.00 0.00 H new ATOM 0 HA THR A 55 -6.244 -21.824 2.379 1.00 0.00 H new ATOM 0 HB THR A 55 -8.121 -23.166 1.808 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.032 -23.141 3.135 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.317 -24.745 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.633 -24.209 3.490 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.626 -23.521 4.797 1.00 0.00 H new ATOM 865 N GLY A 56 -7.549 -20.082 1.069 1.00 0.00 N ATOM 866 CA GLY A 56 -8.160 -18.891 0.419 1.00 0.00 C ATOM 867 C GLY A 56 -7.258 -17.678 0.636 1.00 0.00 C ATOM 868 O GLY A 56 -6.391 -17.678 1.488 1.00 0.00 O ATOM 0 H GLY A 56 -6.926 -20.629 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.293 -19.073 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.149 -18.702 0.836 1.00 0.00 H new ATOM 872 N LYS A 57 -7.458 -16.649 -0.129 1.00 0.00 N ATOM 873 CA LYS A 57 -6.619 -15.427 0.022 1.00 0.00 C ATOM 874 C LYS A 57 -6.599 -14.996 1.491 1.00 0.00 C ATOM 875 O LYS A 57 -7.522 -15.257 2.237 1.00 0.00 O ATOM 876 CB LYS A 57 -7.203 -14.300 -0.832 1.00 0.00 C ATOM 877 CG LYS A 57 -6.448 -13.001 -0.552 1.00 0.00 C ATOM 878 CD LYS A 57 -7.091 -11.857 -1.340 1.00 0.00 C ATOM 879 CE LYS A 57 -6.111 -10.686 -1.433 1.00 0.00 C ATOM 880 NZ LYS A 57 -6.856 -9.443 -1.778 1.00 0.00 N ATOM 0 H LYS A 57 -8.170 -16.597 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.602 -15.643 -0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.129 -14.555 -1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.262 -14.172 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.469 -12.779 0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.401 -13.108 -0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.363 -12.198 -2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.011 -11.537 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.589 -10.559 -0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.353 -10.891 -2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.191 -8.646 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.335 -9.568 -2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.563 -9.246 -1.041 1.00 0.00 H new ATOM 894 N CYS A 58 -5.551 -14.340 1.912 1.00 0.00 N ATOM 895 CA CYS A 58 -5.471 -13.892 3.331 1.00 0.00 C ATOM 896 C CYS A 58 -6.695 -13.042 3.671 1.00 0.00 C ATOM 897 O CYS A 58 -7.166 -12.263 2.866 1.00 0.00 O ATOM 898 CB CYS A 58 -4.203 -13.057 3.532 1.00 0.00 C ATOM 899 SG CYS A 58 -2.768 -14.149 3.678 1.00 0.00 S ATOM 0 H CYS A 58 -4.747 -14.095 1.334 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.442 -14.765 3.983 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.069 -12.375 2.692 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.298 -12.444 4.428 1.00 0.00 H new ATOM 904 N GLU A 59 -7.214 -13.181 4.861 1.00 0.00 N ATOM 905 CA GLU A 59 -8.406 -12.378 5.253 1.00 0.00 C ATOM 906 C GLU A 59 -7.986 -10.925 5.485 1.00 0.00 C ATOM 907 O GLU A 59 -6.890 -10.717 5.978 1.00 0.00 O ATOM 908 CB GLU A 59 -9.003 -12.948 6.540 1.00 0.00 C ATOM 909 CG GLU A 59 -9.515 -14.367 6.279 1.00 0.00 C ATOM 910 CD GLU A 59 -10.229 -14.889 7.527 1.00 0.00 C ATOM 911 OE1 GLU A 59 -10.194 -14.203 8.536 1.00 0.00 O ATOM 912 OE2 GLU A 59 -10.799 -15.965 7.453 1.00 0.00 O ATOM 913 OXT GLU A 59 -8.768 -10.045 5.166 1.00 0.00 O ATOM 0 H GLU A 59 -6.864 -13.816 5.578 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.151 -12.419 4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.250 -12.961 7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.818 -12.314 6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.198 -14.368 5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.684 -15.023 6.021 1.00 0.00 H new