USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot -150:sc= 0 USER MOD Set 1.2: A 95 HEM CMB :methyl 150:sc= -1.59 (180deg=-1.59) USER MOD Set 2.1: A 15 HIS : no HE2:sc= -4.86! C(o=-4!,f=-19!) USER MOD Set 2.2: A 20 SER OG : rot -54:sc= 0.903 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 165:sc= -3.52! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 41:sc= -0.454! USER MOD Single : A 26 HIS : no HD1:sc= -0.0495 X(o=-0.049,f=-0.48) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -1.79 F(o=-3.6,f=-1.8) USER MOD Single : A 28 LYS NZ :NH3+ -128:sc= 0.736 (180deg=-0.167) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -78:sc= 0.236 USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0711) USER MOD Single : A 49 GLN : amide:sc= -1.13! X(o=-1.1!,f=-1.3) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.55 X(o=-1.5,f=-2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -31:sc= 0.462 USER MOD Single : A 72 LYS NZ :NH3+ -111:sc= -1.2 (180deg=-2.46) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-4.2!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMA :methyl -30:sc= -0.0772 (180deg=-0.672) USER MOD Single : A 95 HEM CMC :methyl 150:sc= -3.86! (180deg=-3.86!) USER MOD Single : A 95 HEM CMD :methyl -30:sc= 0 (180deg=-0.00251) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 15.134 14.813 -27.537 1.00 0.00 N ATOM 2 CA VAL A 4 14.792 15.233 -26.188 1.00 0.00 C ATOM 3 C VAL A 4 16.026 15.104 -25.292 1.00 0.00 C ATOM 4 O VAL A 4 16.835 14.194 -25.469 1.00 0.00 O ATOM 5 CB VAL A 4 13.596 14.429 -25.678 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.869 13.864 -24.282 1.00 0.00 C ATOM 7 CG2 VAL A 4 12.322 15.276 -25.687 1.00 0.00 C ATOM 0 HA VAL A 4 14.490 16.280 -26.178 1.00 0.00 H new ATOM 0 HB VAL A 4 13.445 13.589 -26.355 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.002 13.297 -23.943 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.740 13.209 -24.318 1.00 0.00 H new ATOM 0 HG13 VAL A 4 14.060 14.683 -23.589 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.486 14.680 -25.320 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.458 16.145 -25.044 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.112 15.607 -26.704 1.00 0.00 H new ATOM 17 N LYS A 5 16.130 16.029 -24.348 1.00 0.00 N ATOM 18 CA LYS A 5 17.251 16.030 -23.424 1.00 0.00 C ATOM 19 C LYS A 5 16.818 15.393 -22.102 1.00 0.00 C ATOM 20 O LYS A 5 15.695 15.606 -21.646 1.00 0.00 O ATOM 21 CB LYS A 5 17.816 17.444 -23.270 1.00 0.00 C ATOM 22 CG LYS A 5 16.702 18.452 -22.981 1.00 0.00 C ATOM 23 CD LYS A 5 16.171 19.066 -24.278 1.00 0.00 C ATOM 24 CE LYS A 5 17.003 20.283 -24.688 1.00 0.00 C ATOM 25 NZ LYS A 5 16.600 20.757 -26.032 1.00 0.00 N ATOM 0 H LYS A 5 15.457 16.782 -24.204 1.00 0.00 H new ATOM 0 HA LYS A 5 18.069 15.425 -23.816 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.546 17.461 -22.461 1.00 0.00 H new ATOM 0 HB3 LYS A 5 18.343 17.730 -24.180 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.889 17.959 -22.448 1.00 0.00 H new ATOM 0 HG3 LYS A 5 17.079 19.240 -22.329 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.193 18.321 -25.073 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.130 19.360 -24.146 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.872 21.083 -23.959 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.062 20.024 -24.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.174 21.583 -26.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.748 19.997 -26.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.595 21.024 -26.019 1.00 0.00 H new ATOM 39 N TYR A 6 17.729 14.626 -21.524 1.00 0.00 N ATOM 40 CA TYR A 6 17.456 13.957 -20.263 1.00 0.00 C ATOM 41 C TYR A 6 17.620 14.919 -19.085 1.00 0.00 C ATOM 42 O TYR A 6 18.741 15.203 -18.664 1.00 0.00 O ATOM 43 CB TYR A 6 18.493 12.839 -20.144 1.00 0.00 C ATOM 44 CG TYR A 6 18.178 11.604 -20.990 1.00 0.00 C ATOM 45 CD1 TYR A 6 16.877 11.156 -21.099 1.00 0.00 C ATOM 46 CD2 TYR A 6 19.194 10.938 -21.644 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.581 9.993 -21.895 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.897 9.775 -22.440 1.00 0.00 C ATOM 49 CZ TYR A 6 17.605 9.360 -22.527 1.00 0.00 C ATOM 50 OH TYR A 6 17.324 8.263 -23.278 1.00 0.00 O ATOM 0 H TYR A 6 18.659 14.452 -21.906 1.00 0.00 H new ATOM 0 HA TYR A 6 16.433 13.580 -20.242 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.468 13.229 -20.438 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.571 12.540 -19.099 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.081 11.677 -20.588 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.212 11.289 -21.559 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.568 9.631 -21.988 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.683 9.244 -22.956 1.00 0.00 H new ATOM 0 HH TYR A 6 18.151 7.915 -23.671 1.00 0.00 H new ATOM 60 N TYR A 7 16.488 15.392 -18.586 1.00 0.00 N ATOM 61 CA TYR A 7 16.493 16.316 -17.464 1.00 0.00 C ATOM 62 C TYR A 7 16.096 15.607 -16.168 1.00 0.00 C ATOM 63 O TYR A 7 15.082 14.912 -16.122 1.00 0.00 O ATOM 64 CB TYR A 7 15.445 17.382 -17.790 1.00 0.00 C ATOM 65 CG TYR A 7 14.558 17.035 -18.986 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.538 16.115 -18.845 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.775 17.643 -20.207 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.702 15.788 -19.972 1.00 0.00 C ATOM 69 CE2 TYR A 7 13.937 17.316 -21.333 1.00 0.00 C ATOM 70 CZ TYR A 7 12.943 16.406 -21.160 1.00 0.00 C ATOM 71 OH TYR A 7 12.153 16.098 -22.223 1.00 0.00 O ATOM 0 H TYR A 7 15.561 15.153 -18.938 1.00 0.00 H new ATOM 0 HA TYR A 7 17.487 16.738 -17.319 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.814 17.536 -16.915 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.952 18.327 -17.988 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.367 15.641 -17.890 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.572 18.363 -20.318 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.902 15.069 -19.876 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.096 17.784 -22.293 1.00 0.00 H new ATOM 0 HH TYR A 7 12.273 16.770 -22.926 1.00 0.00 H new ATOM 81 N THR A 8 16.915 15.807 -15.146 1.00 0.00 N ATOM 82 CA THR A 8 16.661 15.196 -13.852 1.00 0.00 C ATOM 83 C THR A 8 15.639 16.018 -13.066 1.00 0.00 C ATOM 84 O THR A 8 15.416 17.189 -13.365 1.00 0.00 O ATOM 85 CB THR A 8 18.003 15.042 -13.131 1.00 0.00 C ATOM 86 OG1 THR A 8 18.417 16.382 -12.879 1.00 0.00 O ATOM 87 CG2 THR A 8 19.096 14.480 -14.042 1.00 0.00 C ATOM 0 H THR A 8 17.755 16.384 -15.188 1.00 0.00 H new ATOM 0 HA THR A 8 16.219 14.206 -13.961 1.00 0.00 H new ATOM 0 HB THR A 8 17.878 14.388 -12.268 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.279 16.376 -12.412 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.027 14.391 -13.482 1.00 0.00 H new ATOM 0 HG22 THR A 8 18.796 13.497 -14.406 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.245 15.151 -14.888 1.00 0.00 H new ATOM 95 N LEU A 9 15.044 15.370 -12.074 1.00 0.00 N ATOM 96 CA LEU A 9 14.051 16.026 -11.241 1.00 0.00 C ATOM 97 C LEU A 9 14.432 17.497 -11.062 1.00 0.00 C ATOM 98 O LEU A 9 13.568 18.373 -11.083 1.00 0.00 O ATOM 99 CB LEU A 9 13.875 15.272 -9.921 1.00 0.00 C ATOM 100 CG LEU A 9 13.061 13.979 -9.992 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.286 13.261 -11.324 1.00 0.00 C ATOM 102 CD2 LEU A 9 13.366 13.075 -8.795 1.00 0.00 C ATOM 0 H LEU A 9 15.231 14.398 -11.829 1.00 0.00 H new ATOM 0 HA LEU A 9 13.075 16.006 -11.726 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.863 15.035 -9.526 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.397 15.940 -9.204 1.00 0.00 H new ATOM 0 HG LEU A 9 12.003 14.237 -9.941 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.696 12.345 -11.348 1.00 0.00 H new ATOM 0 HD12 LEU A 9 12.981 13.911 -12.144 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.342 13.015 -11.431 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.775 12.162 -8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.426 12.822 -8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.114 13.597 -7.872 1.00 0.00 H new ATOM 114 N GLU A 10 15.726 17.724 -10.892 1.00 0.00 N ATOM 115 CA GLU A 10 16.233 19.074 -10.710 1.00 0.00 C ATOM 116 C GLU A 10 15.431 20.060 -11.562 1.00 0.00 C ATOM 117 O GLU A 10 15.267 21.219 -11.186 1.00 0.00 O ATOM 118 CB GLU A 10 17.725 19.149 -11.041 1.00 0.00 C ATOM 119 CG GLU A 10 18.272 20.554 -10.785 1.00 0.00 C ATOM 120 CD GLU A 10 19.726 20.669 -11.249 1.00 0.00 C ATOM 121 OE1 GLU A 10 20.120 19.833 -12.091 1.00 0.00 O ATOM 122 OE2 GLU A 10 20.409 21.590 -10.753 1.00 0.00 O ATOM 0 H GLU A 10 16.439 16.995 -10.876 1.00 0.00 H new ATOM 0 HA GLU A 10 16.114 19.349 -9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.272 18.426 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 10 17.884 18.877 -12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.660 21.288 -11.310 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.206 20.786 -9.722 1.00 0.00 H new ATOM 129 N GLU A 11 14.954 19.563 -12.693 1.00 0.00 N ATOM 130 CA GLU A 11 14.174 20.387 -13.601 1.00 0.00 C ATOM 131 C GLU A 11 12.684 20.065 -13.464 1.00 0.00 C ATOM 132 O GLU A 11 11.857 20.970 -13.367 1.00 0.00 O ATOM 133 CB GLU A 11 14.642 20.203 -15.047 1.00 0.00 C ATOM 134 CG GLU A 11 16.170 20.157 -15.127 1.00 0.00 C ATOM 135 CD GLU A 11 16.794 21.333 -14.372 1.00 0.00 C ATOM 136 OE1 GLU A 11 16.308 22.465 -14.583 1.00 0.00 O ATOM 137 OE2 GLU A 11 17.743 21.072 -13.601 1.00 0.00 O ATOM 0 H GLU A 11 15.092 18.601 -13.002 1.00 0.00 H new ATOM 0 HA GLU A 11 14.327 21.432 -13.333 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.225 19.282 -15.454 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.266 21.021 -15.662 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.532 19.218 -14.708 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.484 20.182 -16.170 1.00 0.00 H new ATOM 144 N ILE A 12 12.389 18.774 -13.457 1.00 0.00 N ATOM 145 CA ILE A 12 11.013 18.322 -13.332 1.00 0.00 C ATOM 146 C ILE A 12 10.392 18.935 -12.075 1.00 0.00 C ATOM 147 O ILE A 12 9.211 19.280 -12.068 1.00 0.00 O ATOM 148 CB ILE A 12 10.946 16.794 -13.369 1.00 0.00 C ATOM 149 CG1 ILE A 12 10.156 16.308 -14.587 1.00 0.00 C ATOM 150 CG2 ILE A 12 10.381 16.239 -12.060 1.00 0.00 C ATOM 151 CD1 ILE A 12 11.083 16.065 -15.779 1.00 0.00 C ATOM 0 H ILE A 12 13.078 18.026 -13.536 1.00 0.00 H new ATOM 0 HA ILE A 12 10.420 18.665 -14.180 1.00 0.00 H new ATOM 0 HB ILE A 12 11.961 16.410 -13.471 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.628 15.387 -14.339 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.401 17.047 -14.854 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.344 15.151 -12.112 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.021 16.541 -11.231 1.00 0.00 H new ATOM 0 HG23 ILE A 12 9.375 16.629 -11.903 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.497 15.720 -16.631 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.591 16.993 -16.040 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.822 15.308 -15.517 1.00 0.00 H new ATOM 163 N GLN A 13 11.215 19.050 -11.044 1.00 0.00 N ATOM 164 CA GLN A 13 10.760 19.615 -9.784 1.00 0.00 C ATOM 165 C GLN A 13 10.792 21.144 -9.847 1.00 0.00 C ATOM 166 O GLN A 13 10.060 21.814 -9.120 1.00 0.00 O ATOM 167 CB GLN A 13 11.601 19.097 -8.616 1.00 0.00 C ATOM 168 CG GLN A 13 13.079 19.443 -8.807 1.00 0.00 C ATOM 169 CD GLN A 13 13.621 20.217 -7.604 1.00 0.00 C ATOM 170 OE1 GLN A 13 13.726 21.433 -7.612 1.00 0.00 O ATOM 171 NE2 GLN A 13 13.960 19.448 -6.574 1.00 0.00 N ATOM 0 H GLN A 13 12.193 18.762 -11.054 1.00 0.00 H new ATOM 0 HA GLN A 13 9.731 19.298 -9.616 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.240 19.531 -7.683 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.485 18.017 -8.531 1.00 0.00 H new ATOM 0 HG2 GLN A 13 13.655 18.528 -8.945 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.203 20.037 -9.712 1.00 0.00 H new ATOM 0 HE21 GLN A 13 13.846 18.436 -6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 13 14.334 19.870 -5.724 1.00 0.00 H new ATOM 180 N LYS A 14 11.648 21.652 -10.722 1.00 0.00 N ATOM 181 CA LYS A 14 11.784 23.089 -10.888 1.00 0.00 C ATOM 182 C LYS A 14 10.543 23.636 -11.596 1.00 0.00 C ATOM 183 O LYS A 14 10.150 24.779 -11.369 1.00 0.00 O ATOM 184 CB LYS A 14 13.096 23.422 -11.601 1.00 0.00 C ATOM 185 CG LYS A 14 13.966 24.346 -10.744 1.00 0.00 C ATOM 186 CD LYS A 14 13.516 25.802 -10.878 1.00 0.00 C ATOM 187 CE LYS A 14 13.424 26.475 -9.506 1.00 0.00 C ATOM 188 NZ LYS A 14 14.091 27.796 -9.533 1.00 0.00 N ATOM 0 H LYS A 14 12.254 21.094 -11.323 1.00 0.00 H new ATOM 0 HA LYS A 14 11.840 23.582 -9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.640 22.503 -11.818 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.883 23.900 -12.557 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.910 24.039 -9.700 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.009 24.254 -11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.219 26.347 -11.508 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.546 25.843 -11.373 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.378 26.594 -9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.889 25.841 -8.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.020 28.240 -8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.093 27.674 -9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.629 28.404 -10.239 1.00 0.00 H new ATOM 202 N HIS A 15 9.962 22.794 -12.438 1.00 0.00 N ATOM 203 CA HIS A 15 8.774 23.179 -13.179 1.00 0.00 C ATOM 204 C HIS A 15 7.525 22.730 -12.418 1.00 0.00 C ATOM 205 O HIS A 15 6.716 21.966 -12.942 1.00 0.00 O ATOM 206 CB HIS A 15 8.825 22.635 -14.608 1.00 0.00 C ATOM 207 CG HIS A 15 9.952 23.198 -15.441 1.00 0.00 C ATOM 208 ND1 HIS A 15 9.756 23.743 -16.698 1.00 0.00 N ATOM 209 CD2 HIS A 15 11.288 23.297 -15.182 1.00 0.00 C ATOM 210 CE1 HIS A 15 10.928 24.147 -17.166 1.00 0.00 C ATOM 211 NE2 HIS A 15 11.875 23.870 -16.226 1.00 0.00 N ATOM 0 H HIS A 15 10.292 21.847 -12.623 1.00 0.00 H new ATOM 0 HA HIS A 15 8.732 24.265 -13.266 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.923 21.550 -14.569 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.878 22.852 -15.102 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.861 23.820 -17.182 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.783 22.966 -14.281 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.102 24.614 -18.124 1.00 0.00 H new ATOM 219 N LYS A 16 7.407 23.223 -11.194 1.00 0.00 N ATOM 220 CA LYS A 16 6.272 22.882 -10.356 1.00 0.00 C ATOM 221 C LYS A 16 5.376 24.112 -10.193 1.00 0.00 C ATOM 222 O LYS A 16 5.167 24.588 -9.078 1.00 0.00 O ATOM 223 CB LYS A 16 6.745 22.286 -9.029 1.00 0.00 C ATOM 224 CG LYS A 16 5.567 21.731 -8.225 1.00 0.00 C ATOM 225 CD LYS A 16 5.233 22.643 -7.042 1.00 0.00 C ATOM 226 CE LYS A 16 3.721 22.823 -6.899 1.00 0.00 C ATOM 227 NZ LYS A 16 3.417 23.872 -5.899 1.00 0.00 N ATOM 0 H LYS A 16 8.080 23.857 -10.763 1.00 0.00 H new ATOM 0 HA LYS A 16 5.668 22.108 -10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.466 21.491 -9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.260 23.050 -8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.695 21.633 -8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.808 20.732 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.641 22.219 -6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.707 23.615 -7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.288 23.094 -7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.263 21.881 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.386 23.982 -5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.813 23.598 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.837 24.773 -6.203 1.00 0.00 H new ATOM 241 N ASP A 17 4.871 24.590 -11.320 1.00 0.00 N ATOM 242 CA ASP A 17 4.003 25.756 -11.316 1.00 0.00 C ATOM 243 C ASP A 17 3.109 25.724 -12.558 1.00 0.00 C ATOM 244 O ASP A 17 3.494 25.181 -13.591 1.00 0.00 O ATOM 245 CB ASP A 17 4.818 27.050 -11.353 1.00 0.00 C ATOM 246 CG ASP A 17 5.104 27.673 -9.986 1.00 0.00 C ATOM 247 OD1 ASP A 17 4.178 27.652 -9.147 1.00 0.00 O ATOM 248 OD2 ASP A 17 6.244 28.158 -9.810 1.00 0.00 O ATOM 0 H ASP A 17 5.046 24.192 -12.243 1.00 0.00 H new ATOM 0 HA ASP A 17 3.408 25.731 -10.403 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.767 26.850 -11.850 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.286 27.779 -11.964 1.00 0.00 H new ATOM 253 N SER A 18 1.931 26.313 -12.413 1.00 0.00 N ATOM 254 CA SER A 18 0.979 26.360 -13.510 1.00 0.00 C ATOM 255 C SER A 18 1.711 26.618 -14.828 1.00 0.00 C ATOM 256 O SER A 18 1.517 25.893 -15.803 1.00 0.00 O ATOM 257 CB SER A 18 -0.083 27.436 -13.272 1.00 0.00 C ATOM 258 OG SER A 18 -1.309 27.131 -13.932 1.00 0.00 O ATOM 0 H SER A 18 1.614 26.761 -11.553 1.00 0.00 H new ATOM 0 HA SER A 18 0.474 25.396 -13.566 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.263 27.537 -12.202 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.290 28.398 -13.625 1.00 0.00 H new ATOM 0 HG SER A 18 -1.961 27.840 -13.754 1.00 0.00 H new ATOM 264 N LYS A 19 2.537 27.653 -14.817 1.00 0.00 N ATOM 265 CA LYS A 19 3.300 28.016 -15.999 1.00 0.00 C ATOM 266 C LYS A 19 3.983 26.769 -16.563 1.00 0.00 C ATOM 267 O LYS A 19 3.933 26.519 -17.766 1.00 0.00 O ATOM 268 CB LYS A 19 4.267 29.158 -15.684 1.00 0.00 C ATOM 269 CG LYS A 19 4.886 29.721 -16.964 1.00 0.00 C ATOM 270 CD LYS A 19 6.286 29.149 -17.195 1.00 0.00 C ATOM 271 CE LYS A 19 6.682 29.245 -18.670 1.00 0.00 C ATOM 272 NZ LYS A 19 7.441 30.489 -18.922 1.00 0.00 N ATOM 0 H LYS A 19 2.695 28.253 -14.007 1.00 0.00 H new ATOM 0 HA LYS A 19 2.638 28.396 -16.777 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.739 29.950 -15.152 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.055 28.800 -15.022 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.248 29.484 -17.815 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.940 30.808 -16.898 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.009 29.690 -16.585 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.315 28.108 -16.874 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.286 28.381 -18.948 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.789 29.224 -19.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.702 30.539 -19.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.853 31.311 -18.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.303 30.494 -18.340 1.00 0.00 H new ATOM 286 N SER A 20 4.605 26.018 -15.665 1.00 0.00 N ATOM 287 CA SER A 20 5.298 24.803 -16.058 1.00 0.00 C ATOM 288 C SER A 20 5.062 23.706 -15.017 1.00 0.00 C ATOM 289 O SER A 20 5.522 23.815 -13.881 1.00 0.00 O ATOM 290 CB SER A 20 6.798 25.055 -16.232 1.00 0.00 C ATOM 291 OG SER A 20 7.343 24.304 -17.313 1.00 0.00 O ATOM 0 H SER A 20 4.643 26.228 -14.668 1.00 0.00 H new ATOM 0 HA SER A 20 4.898 24.477 -17.018 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.969 26.117 -16.406 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.319 24.795 -15.311 1.00 0.00 H new ATOM 0 HG SER A 20 7.125 23.356 -17.195 1.00 0.00 H new ATOM 297 N THR A 21 4.346 22.676 -15.442 1.00 0.00 N ATOM 298 CA THR A 21 4.043 21.561 -14.561 1.00 0.00 C ATOM 299 C THR A 21 4.010 20.251 -15.350 1.00 0.00 C ATOM 300 O THR A 21 3.174 20.078 -16.236 1.00 0.00 O ATOM 301 CB THR A 21 2.730 21.871 -13.840 1.00 0.00 C ATOM 302 OG1 THR A 21 3.085 22.863 -12.881 1.00 0.00 O ATOM 303 CG2 THR A 21 2.235 20.696 -12.994 1.00 0.00 C ATOM 0 H THR A 21 3.967 22.590 -16.385 1.00 0.00 H new ATOM 0 HA THR A 21 4.820 21.430 -13.808 1.00 0.00 H new ATOM 0 HB THR A 21 1.969 22.137 -14.573 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.704 23.505 -13.288 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.300 20.969 -12.504 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.069 19.830 -13.635 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.982 20.451 -12.239 1.00 0.00 H new ATOM 311 N TRP A 22 4.927 19.362 -15.000 1.00 0.00 N ATOM 312 CA TRP A 22 5.013 18.074 -15.665 1.00 0.00 C ATOM 313 C TRP A 22 4.854 16.983 -14.605 1.00 0.00 C ATOM 314 O TRP A 22 4.647 17.280 -13.430 1.00 0.00 O ATOM 315 CB TRP A 22 6.315 17.951 -16.458 1.00 0.00 C ATOM 316 CG TRP A 22 6.799 19.267 -17.069 1.00 0.00 C ATOM 317 CD1 TRP A 22 6.058 20.290 -17.519 1.00 0.00 C ATOM 318 CD2 TRP A 22 8.170 19.665 -17.280 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.848 21.313 -18.002 1.00 0.00 N ATOM 320 CE2 TRP A 22 8.173 20.921 -17.853 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.368 18.987 -16.996 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.346 21.607 -18.190 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.531 19.686 -17.340 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.551 20.951 -17.917 1.00 0.00 C ATOM 0 H TRP A 22 5.618 19.509 -14.264 1.00 0.00 H new ATOM 0 HA TRP A 22 4.214 17.966 -16.399 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.092 17.560 -15.802 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.175 17.222 -17.256 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.978 20.311 -17.505 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.520 22.195 -18.396 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.390 18.005 -16.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.322 22.590 -18.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.480 19.209 -17.143 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.492 21.425 -18.153 1.00 0.00 H new ATOM 335 N VAL A 23 4.956 15.742 -15.057 1.00 0.00 N ATOM 336 CA VAL A 23 4.827 14.605 -14.162 1.00 0.00 C ATOM 337 C VAL A 23 5.480 13.378 -14.803 1.00 0.00 C ATOM 338 O VAL A 23 4.966 12.837 -15.780 1.00 0.00 O ATOM 339 CB VAL A 23 3.355 14.382 -13.809 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.849 15.468 -12.857 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.493 14.314 -15.071 1.00 0.00 C ATOM 0 H VAL A 23 5.127 15.499 -16.033 1.00 0.00 H new ATOM 0 HA VAL A 23 5.348 14.797 -13.224 1.00 0.00 H new ATOM 0 HB VAL A 23 3.275 13.423 -13.297 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.800 15.286 -12.622 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.435 15.449 -11.938 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.950 16.444 -13.332 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.451 14.155 -14.792 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.582 15.250 -15.623 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.831 13.489 -15.698 1.00 0.00 H new ATOM 351 N ILE A 24 6.603 12.976 -14.226 1.00 0.00 N ATOM 352 CA ILE A 24 7.331 11.825 -14.729 1.00 0.00 C ATOM 353 C ILE A 24 6.467 10.572 -14.572 1.00 0.00 C ATOM 354 O ILE A 24 6.250 10.099 -13.458 1.00 0.00 O ATOM 355 CB ILE A 24 8.698 11.718 -14.051 1.00 0.00 C ATOM 356 CG1 ILE A 24 9.629 10.791 -14.836 1.00 0.00 C ATOM 357 CG2 ILE A 24 8.554 11.281 -12.591 1.00 0.00 C ATOM 358 CD1 ILE A 24 9.106 9.353 -14.829 1.00 0.00 C ATOM 0 H ILE A 24 7.026 13.427 -13.415 1.00 0.00 H new ATOM 0 HA ILE A 24 7.537 11.940 -15.793 1.00 0.00 H new ATOM 0 HB ILE A 24 9.155 12.707 -14.048 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.718 11.144 -15.863 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.628 10.820 -14.401 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.541 11.213 -12.133 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.952 12.011 -12.050 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.066 10.307 -12.549 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.786 8.716 -15.394 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.041 8.994 -13.802 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.117 9.323 -15.286 1.00 0.00 H new ATOM 370 N LEU A 25 5.998 10.070 -15.705 1.00 0.00 N ATOM 371 CA LEU A 25 5.162 8.881 -15.707 1.00 0.00 C ATOM 372 C LEU A 25 5.671 7.907 -16.772 1.00 0.00 C ATOM 373 O LEU A 25 5.878 8.292 -17.922 1.00 0.00 O ATOM 374 CB LEU A 25 3.690 9.262 -15.876 1.00 0.00 C ATOM 375 CG LEU A 25 3.311 9.903 -17.212 1.00 0.00 C ATOM 376 CD1 LEU A 25 2.979 8.836 -18.257 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.170 10.907 -17.035 1.00 0.00 C ATOM 0 H LEU A 25 6.181 10.465 -16.628 1.00 0.00 H new ATOM 0 HA LEU A 25 5.227 8.368 -14.748 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.086 8.365 -15.742 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.420 9.951 -15.076 1.00 0.00 H new ATOM 0 HG LEU A 25 4.173 10.458 -17.581 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.713 9.318 -19.198 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.847 8.195 -18.411 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.140 8.234 -17.908 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.920 11.348 -18.000 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.295 10.396 -16.632 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.480 11.693 -16.346 1.00 0.00 H new ATOM 389 N HIS A 26 5.860 6.665 -16.350 1.00 0.00 N ATOM 390 CA HIS A 26 6.340 5.634 -17.253 1.00 0.00 C ATOM 391 C HIS A 26 7.731 6.010 -17.768 1.00 0.00 C ATOM 392 O HIS A 26 8.072 5.719 -18.914 1.00 0.00 O ATOM 393 CB HIS A 26 5.337 5.386 -18.381 1.00 0.00 C ATOM 394 CG HIS A 26 4.020 4.812 -17.916 1.00 0.00 C ATOM 395 ND1 HIS A 26 3.163 5.489 -17.066 1.00 0.00 N ATOM 396 CD2 HIS A 26 3.423 3.617 -18.192 1.00 0.00 C ATOM 397 CE1 HIS A 26 2.102 4.727 -16.847 1.00 0.00 C ATOM 398 NE2 HIS A 26 2.265 3.567 -17.544 1.00 0.00 N ATOM 0 H HIS A 26 5.689 6.350 -15.395 1.00 0.00 H new ATOM 0 HA HIS A 26 6.432 4.690 -16.715 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.149 6.326 -18.900 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.783 4.705 -19.106 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.824 2.843 -18.829 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.256 4.980 -16.225 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.606 2.789 -17.564 1.00 0.00 H new ATOM 406 N HIS A 27 8.496 6.652 -16.898 1.00 0.00 N ATOM 407 CA HIS A 27 9.842 7.072 -17.251 1.00 0.00 C ATOM 408 C HIS A 27 9.772 8.212 -18.269 1.00 0.00 C ATOM 409 O HIS A 27 10.804 8.693 -18.738 1.00 0.00 O ATOM 410 CB HIS A 27 10.668 5.884 -17.746 1.00 0.00 C ATOM 411 CG HIS A 27 10.409 4.599 -16.995 1.00 0.00 C ATOM 412 ND1 HIS A 27 10.495 4.313 -15.665 1.00 0.00 N flip ATOM 413 CD2 HIS A 27 10.013 3.431 -17.623 1.00 0.00 C flip ATOM 414 CE1 HIS A 27 10.168 3.038 -15.490 1.00 0.00 C flip ATOM 415 NE2 HIS A 27 9.869 2.491 -16.701 1.00 0.00 N flip ATOM 0 H HIS A 27 8.210 6.892 -15.949 1.00 0.00 H new ATOM 0 HA HIS A 27 10.354 7.452 -16.367 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.457 5.724 -18.803 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.726 6.132 -17.666 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.849 3.307 -18.683 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.143 2.520 -14.543 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.584 1.526 -16.869 1.00 0.00 H new ATOM 423 N LYS A 28 8.548 8.611 -18.581 1.00 0.00 N ATOM 424 CA LYS A 28 8.332 9.686 -19.535 1.00 0.00 C ATOM 425 C LYS A 28 7.508 10.791 -18.871 1.00 0.00 C ATOM 426 O LYS A 28 6.369 10.565 -18.470 1.00 0.00 O ATOM 427 CB LYS A 28 7.709 9.143 -20.822 1.00 0.00 C ATOM 428 CG LYS A 28 8.789 8.672 -21.797 1.00 0.00 C ATOM 429 CD LYS A 28 9.548 7.467 -21.237 1.00 0.00 C ATOM 430 CE LYS A 28 9.751 6.399 -22.313 1.00 0.00 C ATOM 431 NZ LYS A 28 11.097 6.520 -22.915 1.00 0.00 N ATOM 0 H LYS A 28 7.696 8.210 -18.190 1.00 0.00 H new ATOM 0 HA LYS A 28 9.282 10.130 -19.832 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.041 8.315 -20.586 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.103 9.917 -21.292 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.332 8.407 -22.751 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.487 9.486 -21.993 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.516 7.789 -20.852 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.996 7.043 -20.398 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.629 5.407 -21.877 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.990 6.504 -23.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.012 6.563 -23.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.555 7.387 -22.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.672 5.695 -22.649 1.00 0.00 H new ATOM 445 N VAL A 29 8.117 11.965 -18.778 1.00 0.00 N ATOM 446 CA VAL A 29 7.454 13.106 -18.171 1.00 0.00 C ATOM 447 C VAL A 29 6.593 13.808 -19.221 1.00 0.00 C ATOM 448 O VAL A 29 6.985 13.913 -20.383 1.00 0.00 O ATOM 449 CB VAL A 29 8.491 14.033 -17.531 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.562 14.440 -18.545 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.820 15.264 -16.917 1.00 0.00 C ATOM 0 H VAL A 29 9.062 12.150 -19.113 1.00 0.00 H new ATOM 0 HA VAL A 29 6.789 12.781 -17.371 1.00 0.00 H new ATOM 0 HB VAL A 29 8.982 13.484 -16.728 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.286 15.098 -18.065 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.070 13.549 -18.915 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.094 14.963 -19.379 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.578 15.906 -16.469 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.290 15.815 -17.694 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.113 14.948 -16.150 1.00 0.00 H new ATOM 461 N TYR A 30 5.433 14.270 -18.777 1.00 0.00 N ATOM 462 CA TYR A 30 4.512 14.959 -19.665 1.00 0.00 C ATOM 463 C TYR A 30 4.183 16.357 -19.136 1.00 0.00 C ATOM 464 O TYR A 30 3.906 16.526 -17.950 1.00 0.00 O ATOM 465 CB TYR A 30 3.233 14.119 -19.680 1.00 0.00 C ATOM 466 CG TYR A 30 3.378 12.780 -20.406 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.323 11.865 -19.986 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.564 12.485 -21.480 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.458 10.605 -20.668 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.700 11.224 -22.163 1.00 0.00 C ATOM 471 CZ TYR A 30 3.640 10.347 -21.724 1.00 0.00 C ATOM 472 OH TYR A 30 3.768 9.156 -22.368 1.00 0.00 O ATOM 0 H TYR A 30 5.110 14.181 -17.814 1.00 0.00 H new ATOM 0 HA TYR A 30 4.949 15.074 -20.657 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.921 13.932 -18.652 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.438 14.694 -20.155 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.961 12.095 -19.145 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.824 13.200 -21.809 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.192 9.880 -20.349 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.069 10.981 -23.005 1.00 0.00 H new ATOM 0 HH TYR A 30 3.119 9.109 -23.101 1.00 0.00 H new ATOM 482 N ASP A 31 4.225 17.322 -20.043 1.00 0.00 N ATOM 483 CA ASP A 31 3.935 18.700 -19.683 1.00 0.00 C ATOM 484 C ASP A 31 2.424 18.931 -19.743 1.00 0.00 C ATOM 485 O ASP A 31 1.900 19.372 -20.764 1.00 0.00 O ATOM 486 CB ASP A 31 4.602 19.675 -20.655 1.00 0.00 C ATOM 487 CG ASP A 31 4.219 21.144 -20.462 1.00 0.00 C ATOM 488 OD1 ASP A 31 4.597 21.694 -19.405 1.00 0.00 O ATOM 489 OD2 ASP A 31 3.556 21.683 -21.375 1.00 0.00 O ATOM 0 H ASP A 31 4.455 17.177 -21.026 1.00 0.00 H new ATOM 0 HA ASP A 31 4.319 18.874 -18.678 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.683 19.581 -20.556 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.349 19.380 -21.673 1.00 0.00 H new ATOM 494 N LEU A 32 1.766 18.622 -18.635 1.00 0.00 N ATOM 495 CA LEU A 32 0.326 18.790 -18.548 1.00 0.00 C ATOM 496 C LEU A 32 0.007 20.246 -18.204 1.00 0.00 C ATOM 497 O LEU A 32 -1.129 20.572 -17.860 1.00 0.00 O ATOM 498 CB LEU A 32 -0.274 17.781 -17.566 1.00 0.00 C ATOM 499 CG LEU A 32 0.472 16.451 -17.433 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.250 15.514 -16.463 1.00 0.00 C ATOM 501 CD2 LEU A 32 0.686 15.804 -18.803 1.00 0.00 C ATOM 0 H LEU A 32 2.204 18.256 -17.790 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.140 18.579 -19.510 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.324 18.247 -16.582 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.299 17.571 -17.872 1.00 0.00 H new ATOM 0 HG LEU A 32 1.458 16.651 -17.014 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.300 14.576 -16.386 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.308 15.982 -15.480 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.257 15.315 -16.831 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.218 14.861 -18.681 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.280 15.618 -19.272 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.273 16.472 -19.433 1.00 0.00 H new ATOM 513 N THR A 33 1.028 21.083 -18.309 1.00 0.00 N ATOM 514 CA THR A 33 0.870 22.498 -18.013 1.00 0.00 C ATOM 515 C THR A 33 0.011 23.174 -19.083 1.00 0.00 C ATOM 516 O THR A 33 -0.527 24.257 -18.860 1.00 0.00 O ATOM 517 CB THR A 33 2.266 23.110 -17.878 1.00 0.00 C ATOM 518 OG1 THR A 33 2.250 23.730 -16.594 1.00 0.00 O ATOM 519 CG2 THR A 33 2.491 24.272 -18.849 1.00 0.00 C ATOM 0 H THR A 33 1.968 20.809 -18.595 1.00 0.00 H new ATOM 0 HA THR A 33 0.340 22.649 -17.073 1.00 0.00 H new ATOM 0 HB THR A 33 3.019 22.341 -18.050 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.771 24.583 -16.649 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.496 24.671 -18.713 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.377 23.917 -19.873 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.760 25.056 -18.653 1.00 0.00 H new ATOM 527 N LYS A 34 -0.093 22.505 -20.222 1.00 0.00 N ATOM 528 CA LYS A 34 -0.879 23.029 -21.328 1.00 0.00 C ATOM 529 C LYS A 34 -2.319 22.525 -21.207 1.00 0.00 C ATOM 530 O LYS A 34 -3.260 23.316 -21.234 1.00 0.00 O ATOM 531 CB LYS A 34 -0.218 22.684 -22.665 1.00 0.00 C ATOM 532 CG LYS A 34 -0.689 23.632 -23.768 1.00 0.00 C ATOM 533 CD LYS A 34 0.426 24.598 -24.175 1.00 0.00 C ATOM 534 CE LYS A 34 0.332 24.952 -25.660 1.00 0.00 C ATOM 535 NZ LYS A 34 0.805 23.823 -26.493 1.00 0.00 N ATOM 0 H LYS A 34 0.353 21.606 -20.403 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.916 24.118 -21.288 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.866 22.745 -22.566 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.456 21.656 -22.938 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.010 23.055 -24.635 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.555 24.196 -23.422 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.361 25.507 -23.576 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.396 24.147 -23.966 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.699 25.195 -25.918 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.930 25.840 -25.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.993 24.159 -27.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.679 23.434 -26.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.076 23.082 -26.520 1.00 0.00 H new ATOM 549 N PHE A 35 -2.445 21.213 -21.075 1.00 0.00 N ATOM 550 CA PHE A 35 -3.754 20.596 -20.950 1.00 0.00 C ATOM 551 C PHE A 35 -4.176 20.500 -19.483 1.00 0.00 C ATOM 552 O PHE A 35 -5.101 19.761 -19.147 1.00 0.00 O ATOM 553 CB PHE A 35 -3.641 19.184 -21.530 1.00 0.00 C ATOM 554 CG PHE A 35 -4.026 18.076 -20.548 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.159 17.705 -19.567 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.234 17.462 -20.656 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.517 16.677 -18.657 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.592 16.433 -19.745 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.725 16.062 -18.764 1.00 0.00 C ATOM 0 H PHE A 35 -1.662 20.560 -21.052 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.499 21.193 -21.476 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.278 19.112 -22.411 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.616 19.020 -21.864 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.199 18.193 -19.481 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.922 17.757 -21.435 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.829 16.383 -17.878 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.552 15.945 -19.831 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.996 15.280 -18.071 1.00 0.00 H new ATOM 569 N LEU A 36 -3.478 21.256 -18.649 1.00 0.00 N ATOM 570 CA LEU A 36 -3.770 21.266 -17.225 1.00 0.00 C ATOM 571 C LEU A 36 -5.230 21.667 -17.010 1.00 0.00 C ATOM 572 O LEU A 36 -5.965 20.989 -16.294 1.00 0.00 O ATOM 573 CB LEU A 36 -2.772 22.154 -16.479 1.00 0.00 C ATOM 574 CG LEU A 36 -2.213 21.586 -15.173 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.711 21.848 -15.060 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.982 22.128 -13.967 1.00 0.00 C ATOM 0 H LEU A 36 -2.711 21.866 -18.931 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.649 20.267 -16.805 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.937 22.367 -17.146 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.256 23.106 -16.260 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.351 20.505 -15.184 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.339 21.434 -14.123 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.195 21.375 -15.896 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.526 22.922 -15.081 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.565 21.709 -13.051 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.898 23.214 -13.940 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.032 21.847 -14.049 1.00 0.00 H new ATOM 588 N GLU A 37 -5.608 22.767 -17.643 1.00 0.00 N ATOM 589 CA GLU A 37 -6.967 23.267 -17.531 1.00 0.00 C ATOM 590 C GLU A 37 -7.929 22.371 -18.313 1.00 0.00 C ATOM 591 O GLU A 37 -9.127 22.345 -18.032 1.00 0.00 O ATOM 592 CB GLU A 37 -7.059 24.718 -18.008 1.00 0.00 C ATOM 593 CG GLU A 37 -8.133 25.484 -17.233 1.00 0.00 C ATOM 594 CD GLU A 37 -9.160 26.102 -18.183 1.00 0.00 C ATOM 595 OE1 GLU A 37 -9.430 25.461 -19.221 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.652 27.202 -17.850 1.00 0.00 O ATOM 0 H GLU A 37 -4.996 23.327 -18.236 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.255 23.246 -16.480 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.094 25.208 -17.880 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.289 24.740 -19.073 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.635 24.811 -16.538 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.666 26.268 -16.637 1.00 0.00 H new ATOM 603 N GLU A 38 -7.369 21.657 -19.279 1.00 0.00 N ATOM 604 CA GLU A 38 -8.162 20.762 -20.104 1.00 0.00 C ATOM 605 C GLU A 38 -8.374 19.427 -19.385 1.00 0.00 C ATOM 606 O GLU A 38 -9.048 18.539 -19.905 1.00 0.00 O ATOM 607 CB GLU A 38 -7.508 20.550 -21.470 1.00 0.00 C ATOM 608 CG GLU A 38 -7.956 21.623 -22.464 1.00 0.00 C ATOM 609 CD GLU A 38 -8.996 21.068 -23.439 1.00 0.00 C ATOM 610 OE1 GLU A 38 -10.190 21.086 -23.067 1.00 0.00 O ATOM 611 OE2 GLU A 38 -8.574 20.637 -24.535 1.00 0.00 O ATOM 0 H GLU A 38 -6.375 21.680 -19.509 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.136 21.222 -20.272 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.423 20.576 -21.366 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.768 19.563 -21.853 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.375 22.472 -21.924 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.094 21.993 -23.018 1.00 0.00 H new ATOM 618 N HIS A 39 -7.786 19.328 -18.202 1.00 0.00 N ATOM 619 CA HIS A 39 -7.902 18.118 -17.408 1.00 0.00 C ATOM 620 C HIS A 39 -9.065 18.259 -16.423 1.00 0.00 C ATOM 621 O HIS A 39 -9.176 19.267 -15.728 1.00 0.00 O ATOM 622 CB HIS A 39 -6.576 17.792 -16.717 1.00 0.00 C ATOM 623 CG HIS A 39 -6.563 16.457 -16.011 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.400 16.333 -14.642 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.695 15.190 -16.499 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.433 15.046 -14.331 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.615 14.339 -15.484 1.00 0.00 N ATOM 0 H HIS A 39 -7.228 20.067 -17.774 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.123 17.272 -18.059 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.778 17.807 -17.459 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.353 18.576 -15.994 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.276 17.102 -13.984 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.840 14.925 -17.536 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.333 14.629 -13.340 1.00 0.00 H new ATOM 635 N PRO A 40 -9.925 17.205 -16.395 1.00 0.00 N ATOM 636 CA PRO A 40 -11.075 17.202 -15.508 1.00 0.00 C ATOM 637 C PRO A 40 -10.651 16.940 -14.061 1.00 0.00 C ATOM 638 O PRO A 40 -11.461 17.058 -13.142 1.00 0.00 O ATOM 639 CB PRO A 40 -11.997 16.128 -16.061 1.00 0.00 C ATOM 640 CG PRO A 40 -11.130 15.255 -16.953 1.00 0.00 C ATOM 641 CD PRO A 40 -9.826 15.995 -17.204 1.00 0.00 C ATOM 0 HA PRO A 40 -11.583 18.166 -15.476 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.443 15.543 -15.256 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.818 16.570 -16.626 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.938 14.294 -16.476 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.638 15.047 -17.895 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.966 15.392 -16.911 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.703 16.234 -18.260 1.00 0.00 H new ATOM 649 N GLY A 41 -9.384 16.588 -13.905 1.00 0.00 N ATOM 650 CA GLY A 41 -8.843 16.306 -12.586 1.00 0.00 C ATOM 651 C GLY A 41 -8.902 17.548 -11.693 1.00 0.00 C ATOM 652 O GLY A 41 -9.808 17.683 -10.872 1.00 0.00 O ATOM 0 H GLY A 41 -8.716 16.491 -14.670 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.405 15.494 -12.124 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.811 15.967 -12.677 1.00 0.00 H new ATOM 656 N GLY A 42 -7.926 18.422 -11.884 1.00 0.00 N ATOM 657 CA GLY A 42 -7.856 19.647 -11.106 1.00 0.00 C ATOM 658 C GLY A 42 -6.728 20.552 -11.608 1.00 0.00 C ATOM 659 O GLY A 42 -6.218 20.359 -12.711 1.00 0.00 O ATOM 0 H GLY A 42 -7.177 18.307 -12.566 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.807 20.176 -11.168 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.694 19.406 -10.055 1.00 0.00 H new ATOM 663 N GLU A 43 -6.372 21.518 -10.775 1.00 0.00 N ATOM 664 CA GLU A 43 -5.315 22.453 -11.120 1.00 0.00 C ATOM 665 C GLU A 43 -4.218 22.431 -10.054 1.00 0.00 C ATOM 666 O GLU A 43 -3.133 22.970 -10.263 1.00 0.00 O ATOM 667 CB GLU A 43 -5.870 23.865 -11.306 1.00 0.00 C ATOM 668 CG GLU A 43 -4.789 24.918 -11.052 1.00 0.00 C ATOM 669 CD GLU A 43 -5.368 26.331 -11.146 1.00 0.00 C ATOM 670 OE1 GLU A 43 -6.170 26.677 -10.251 1.00 0.00 O ATOM 671 OE2 GLU A 43 -4.994 27.035 -12.110 1.00 0.00 O ATOM 0 H GLU A 43 -6.797 21.674 -9.861 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.879 22.143 -12.069 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.260 23.976 -12.318 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.705 24.024 -10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.352 24.765 -10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.985 24.801 -11.778 1.00 0.00 H new ATOM 678 N GLU A 44 -4.539 21.801 -8.933 1.00 0.00 N ATOM 679 CA GLU A 44 -3.595 21.702 -7.833 1.00 0.00 C ATOM 680 C GLU A 44 -3.272 20.235 -7.542 1.00 0.00 C ATOM 681 O GLU A 44 -2.387 19.938 -6.741 1.00 0.00 O ATOM 682 CB GLU A 44 -4.131 22.404 -6.585 1.00 0.00 C ATOM 683 CG GLU A 44 -5.446 21.774 -6.123 1.00 0.00 C ATOM 684 CD GLU A 44 -6.647 22.538 -6.683 1.00 0.00 C ATOM 685 OE1 GLU A 44 -6.971 22.298 -7.867 1.00 0.00 O ATOM 686 OE2 GLU A 44 -7.215 23.345 -5.916 1.00 0.00 O ATOM 0 H GLU A 44 -5.440 21.354 -8.763 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.673 22.206 -8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.394 22.343 -5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.285 23.462 -6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.489 20.734 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.489 21.770 -5.034 1.00 0.00 H new ATOM 693 N VAL A 45 -4.007 19.356 -8.207 1.00 0.00 N ATOM 694 CA VAL A 45 -3.810 17.928 -8.029 1.00 0.00 C ATOM 695 C VAL A 45 -2.841 17.415 -9.096 1.00 0.00 C ATOM 696 O VAL A 45 -2.141 16.426 -8.879 1.00 0.00 O ATOM 697 CB VAL A 45 -5.160 17.207 -8.052 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.189 17.997 -8.863 1.00 0.00 C ATOM 699 CG2 VAL A 45 -5.011 15.783 -8.592 1.00 0.00 C ATOM 0 H VAL A 45 -4.740 19.606 -8.870 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.363 17.722 -7.057 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.523 17.140 -7.026 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.139 17.463 -8.864 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.326 18.982 -8.416 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.836 18.110 -9.888 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.984 15.292 -8.598 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.616 15.818 -9.607 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.326 15.222 -7.956 1.00 0.00 H new ATOM 709 N LEU A 46 -2.830 18.109 -10.224 1.00 0.00 N ATOM 710 CA LEU A 46 -1.958 17.735 -11.325 1.00 0.00 C ATOM 711 C LEU A 46 -0.530 18.192 -11.016 1.00 0.00 C ATOM 712 O LEU A 46 0.432 17.504 -11.354 1.00 0.00 O ATOM 713 CB LEU A 46 -2.503 18.276 -12.648 1.00 0.00 C ATOM 714 CG LEU A 46 -4.027 18.351 -12.765 1.00 0.00 C ATOM 715 CD1 LEU A 46 -4.448 18.770 -14.175 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.675 17.032 -12.340 1.00 0.00 C ATOM 0 H LEU A 46 -3.411 18.929 -10.400 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.930 16.651 -11.438 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.097 19.275 -12.804 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.127 17.649 -13.457 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.385 19.120 -12.081 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.536 18.816 -14.232 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.031 19.751 -14.403 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.077 18.042 -14.897 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.758 17.112 -12.433 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.315 16.227 -12.980 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.414 16.816 -11.304 1.00 0.00 H new ATOM 728 N ARG A 47 -0.438 19.348 -10.377 1.00 0.00 N ATOM 729 CA ARG A 47 0.855 19.905 -10.018 1.00 0.00 C ATOM 730 C ARG A 47 1.302 19.374 -8.655 1.00 0.00 C ATOM 731 O ARG A 47 2.486 19.419 -8.325 1.00 0.00 O ATOM 732 CB ARG A 47 0.804 21.433 -9.970 1.00 0.00 C ATOM 733 CG ARG A 47 -0.451 21.917 -9.242 1.00 0.00 C ATOM 734 CD ARG A 47 -0.245 23.319 -8.666 1.00 0.00 C ATOM 735 NE ARG A 47 -1.221 24.260 -9.258 1.00 0.00 N ATOM 736 CZ ARG A 47 -1.044 25.586 -9.319 1.00 0.00 C ATOM 737 NH1 ARG A 47 0.072 26.138 -8.822 1.00 0.00 N ATOM 738 NH2 ARG A 47 -1.984 26.363 -9.875 1.00 0.00 N ATOM 0 H ARG A 47 -1.239 19.915 -10.098 1.00 0.00 H new ATOM 0 HA ARG A 47 1.570 19.601 -10.783 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.691 21.814 -9.465 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.818 21.833 -10.984 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.296 21.924 -9.931 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.700 21.223 -8.439 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.361 23.296 -7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.770 23.659 -8.871 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.083 23.875 -9.644 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.787 25.548 -8.397 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.206 27.148 -8.869 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.834 25.944 -10.252 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.849 27.373 -9.921 1.00 0.00 H new ATOM 752 N GLU A 48 0.330 18.883 -7.900 1.00 0.00 N ATOM 753 CA GLU A 48 0.609 18.344 -6.579 1.00 0.00 C ATOM 754 C GLU A 48 1.716 17.291 -6.658 1.00 0.00 C ATOM 755 O GLU A 48 2.378 17.005 -5.662 1.00 0.00 O ATOM 756 CB GLU A 48 -0.657 17.761 -5.946 1.00 0.00 C ATOM 757 CG GLU A 48 -0.923 18.388 -4.575 1.00 0.00 C ATOM 758 CD GLU A 48 0.235 18.111 -3.614 1.00 0.00 C ATOM 759 OE1 GLU A 48 1.232 18.860 -3.695 1.00 0.00 O ATOM 760 OE2 GLU A 48 0.096 17.158 -2.818 1.00 0.00 O ATOM 0 H GLU A 48 -0.651 18.847 -8.177 1.00 0.00 H new ATOM 0 HA GLU A 48 0.953 19.158 -5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.510 17.936 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.552 16.681 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.062 19.464 -4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.848 17.988 -4.161 1.00 0.00 H new ATOM 767 N GLN A 49 1.883 16.742 -7.853 1.00 0.00 N ATOM 768 CA GLN A 49 2.898 15.728 -8.075 1.00 0.00 C ATOM 769 C GLN A 49 3.824 16.145 -9.220 1.00 0.00 C ATOM 770 O GLN A 49 4.360 15.295 -9.931 1.00 0.00 O ATOM 771 CB GLN A 49 2.261 14.366 -8.355 1.00 0.00 C ATOM 772 CG GLN A 49 1.595 13.804 -7.097 1.00 0.00 C ATOM 773 CD GLN A 49 2.605 13.663 -5.957 1.00 0.00 C ATOM 774 OE1 GLN A 49 3.433 12.766 -5.935 1.00 0.00 O ATOM 775 NE2 GLN A 49 2.493 14.594 -5.015 1.00 0.00 N ATOM 0 H GLN A 49 1.332 16.981 -8.677 1.00 0.00 H new ATOM 0 HA GLN A 49 3.494 15.634 -7.167 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.522 14.463 -9.150 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.022 13.671 -8.710 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.782 14.461 -6.788 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.153 12.832 -7.318 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.778 15.317 -5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.122 14.586 -4.212 1.00 0.00 H new ATOM 784 N ALA A 50 3.985 17.451 -9.362 1.00 0.00 N ATOM 785 CA ALA A 50 4.836 17.992 -10.408 1.00 0.00 C ATOM 786 C ALA A 50 6.276 18.073 -9.896 1.00 0.00 C ATOM 787 O ALA A 50 6.873 19.149 -9.882 1.00 0.00 O ATOM 788 CB ALA A 50 4.298 19.352 -10.854 1.00 0.00 C ATOM 0 H ALA A 50 3.540 18.152 -8.770 1.00 0.00 H new ATOM 0 HA ALA A 50 4.832 17.340 -11.281 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.937 19.757 -11.639 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.284 19.235 -11.237 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.289 20.036 -10.005 1.00 0.00 H new ATOM 794 N GLY A 51 6.791 16.923 -9.488 1.00 0.00 N ATOM 795 CA GLY A 51 8.150 16.851 -8.978 1.00 0.00 C ATOM 796 C GLY A 51 8.595 15.398 -8.806 1.00 0.00 C ATOM 797 O GLY A 51 9.757 15.069 -9.039 1.00 0.00 O ATOM 0 H GLY A 51 6.292 16.033 -9.500 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.826 17.364 -9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.211 17.369 -8.021 1.00 0.00 H new ATOM 801 N GLY A 52 7.647 14.565 -8.402 1.00 0.00 N ATOM 802 CA GLY A 52 7.927 13.155 -8.198 1.00 0.00 C ATOM 803 C GLY A 52 7.311 12.306 -9.312 1.00 0.00 C ATOM 804 O GLY A 52 7.402 12.659 -10.487 1.00 0.00 O ATOM 0 H GLY A 52 6.684 14.840 -8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.005 12.995 -8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.531 12.838 -7.233 1.00 0.00 H new ATOM 808 N ASP A 53 6.699 11.204 -8.904 1.00 0.00 N ATOM 809 CA ASP A 53 6.069 10.303 -9.854 1.00 0.00 C ATOM 810 C ASP A 53 4.549 10.387 -9.699 1.00 0.00 C ATOM 811 O ASP A 53 4.009 10.056 -8.644 1.00 0.00 O ATOM 812 CB ASP A 53 6.490 8.854 -9.602 1.00 0.00 C ATOM 813 CG ASP A 53 6.129 8.307 -8.219 1.00 0.00 C ATOM 814 OD1 ASP A 53 6.060 9.132 -7.283 1.00 0.00 O ATOM 815 OD2 ASP A 53 5.930 7.076 -8.130 1.00 0.00 O ATOM 0 H ASP A 53 6.626 10.915 -7.929 1.00 0.00 H new ATOM 0 HA ASP A 53 6.379 10.600 -10.856 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.028 8.220 -10.359 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.569 8.776 -9.737 1.00 0.00 H new ATOM 820 N ALA A 54 3.901 10.831 -10.767 1.00 0.00 N ATOM 821 CA ALA A 54 2.454 10.963 -10.762 1.00 0.00 C ATOM 822 C ALA A 54 1.827 9.667 -11.281 1.00 0.00 C ATOM 823 O ALA A 54 0.650 9.402 -11.038 1.00 0.00 O ATOM 824 CB ALA A 54 2.050 12.180 -11.595 1.00 0.00 C ATOM 0 H ALA A 54 4.351 11.104 -11.641 1.00 0.00 H new ATOM 0 HA ALA A 54 2.086 11.125 -9.749 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.965 12.279 -11.591 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.498 13.078 -11.169 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.399 12.052 -12.620 1.00 0.00 H new ATOM 830 N THR A 55 2.640 8.894 -11.985 1.00 0.00 N ATOM 831 CA THR A 55 2.179 7.633 -12.540 1.00 0.00 C ATOM 832 C THR A 55 1.475 6.803 -11.466 1.00 0.00 C ATOM 833 O THR A 55 0.579 6.018 -11.771 1.00 0.00 O ATOM 834 CB THR A 55 3.383 6.923 -13.164 1.00 0.00 C ATOM 835 OG1 THR A 55 2.949 5.575 -13.318 1.00 0.00 O ATOM 836 CG2 THR A 55 4.569 6.826 -12.202 1.00 0.00 C ATOM 0 H THR A 55 3.615 9.116 -12.184 1.00 0.00 H new ATOM 0 HA THR A 55 1.436 7.793 -13.321 1.00 0.00 H new ATOM 0 HB THR A 55 3.690 7.453 -14.066 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.669 5.043 -13.718 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.396 6.314 -12.694 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.884 7.828 -11.911 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.273 6.267 -11.315 1.00 0.00 H new ATOM 844 N GLU A 56 1.906 7.006 -10.230 1.00 0.00 N ATOM 845 CA GLU A 56 1.327 6.286 -9.108 1.00 0.00 C ATOM 846 C GLU A 56 -0.111 6.748 -8.865 1.00 0.00 C ATOM 847 O GLU A 56 -1.009 5.926 -8.688 1.00 0.00 O ATOM 848 CB GLU A 56 2.178 6.459 -7.847 1.00 0.00 C ATOM 849 CG GLU A 56 2.778 7.865 -7.780 1.00 0.00 C ATOM 850 CD GLU A 56 2.870 8.354 -6.333 1.00 0.00 C ATOM 851 OE1 GLU A 56 1.823 8.799 -5.817 1.00 0.00 O ATOM 852 OE2 GLU A 56 3.987 8.271 -5.776 1.00 0.00 O ATOM 0 H GLU A 56 2.649 7.659 -9.980 1.00 0.00 H new ATOM 0 HA GLU A 56 1.310 5.224 -9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.566 6.278 -6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.977 5.718 -7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.771 7.862 -8.230 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.166 8.554 -8.362 1.00 0.00 H new ATOM 859 N ASN A 57 -0.285 8.062 -8.867 1.00 0.00 N ATOM 860 CA ASN A 57 -1.600 8.642 -8.650 1.00 0.00 C ATOM 861 C ASN A 57 -2.393 8.600 -9.957 1.00 0.00 C ATOM 862 O ASN A 57 -3.613 8.441 -9.943 1.00 0.00 O ATOM 863 CB ASN A 57 -1.490 10.103 -8.210 1.00 0.00 C ATOM 864 CG ASN A 57 -1.271 10.206 -6.699 1.00 0.00 C ATOM 865 OD1 ASN A 57 -0.453 9.513 -6.116 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.045 11.106 -6.100 1.00 0.00 N ATOM 0 H ASN A 57 0.462 8.741 -9.015 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.099 8.067 -7.870 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.664 10.583 -8.734 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.398 10.639 -8.487 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.975 11.250 -5.093 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.709 11.653 -6.648 1.00 0.00 H new ATOM 873 N PHE A 58 -1.668 8.747 -11.057 1.00 0.00 N ATOM 874 CA PHE A 58 -2.290 8.728 -12.371 1.00 0.00 C ATOM 875 C PHE A 58 -2.862 7.345 -12.687 1.00 0.00 C ATOM 876 O PHE A 58 -3.944 7.234 -13.261 1.00 0.00 O ATOM 877 CB PHE A 58 -1.195 9.058 -13.388 1.00 0.00 C ATOM 878 CG PHE A 58 -1.559 8.701 -14.831 1.00 0.00 C ATOM 879 CD1 PHE A 58 -1.685 7.398 -15.198 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.756 9.687 -15.746 1.00 0.00 C ATOM 881 CE1 PHE A 58 -2.022 7.066 -16.537 1.00 0.00 C ATOM 882 CE2 PHE A 58 -2.093 9.357 -17.085 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.219 8.053 -17.452 1.00 0.00 C ATOM 0 H PHE A 58 -0.657 8.880 -11.065 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.109 9.447 -12.406 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.972 10.123 -13.333 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.284 8.527 -13.112 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.529 6.615 -14.471 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.656 10.722 -15.454 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.122 6.031 -16.829 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.249 10.140 -17.812 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.476 7.801 -18.470 1.00 0.00 H new ATOM 893 N GLU A 59 -2.111 6.325 -12.297 1.00 0.00 N ATOM 894 CA GLU A 59 -2.531 4.953 -12.532 1.00 0.00 C ATOM 895 C GLU A 59 -3.587 4.539 -11.505 1.00 0.00 C ATOM 896 O GLU A 59 -4.352 3.604 -11.738 1.00 0.00 O ATOM 897 CB GLU A 59 -1.334 4.002 -12.502 1.00 0.00 C ATOM 898 CG GLU A 59 -0.821 3.809 -11.073 1.00 0.00 C ATOM 899 CD GLU A 59 -1.717 2.845 -10.294 1.00 0.00 C ATOM 900 OE1 GLU A 59 -2.154 1.850 -10.914 1.00 0.00 O ATOM 901 OE2 GLU A 59 -1.945 3.123 -9.097 1.00 0.00 O ATOM 0 H GLU A 59 -1.215 6.421 -11.820 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.976 4.893 -13.525 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.621 3.038 -12.922 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.535 4.398 -13.128 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.198 3.424 -11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.786 4.771 -10.562 1.00 0.00 H new ATOM 908 N ASP A 60 -3.595 5.255 -10.390 1.00 0.00 N ATOM 909 CA ASP A 60 -4.545 4.973 -9.327 1.00 0.00 C ATOM 910 C ASP A 60 -5.966 5.195 -9.846 1.00 0.00 C ATOM 911 O ASP A 60 -6.800 4.291 -9.792 1.00 0.00 O ATOM 912 CB ASP A 60 -4.327 5.904 -8.132 1.00 0.00 C ATOM 913 CG ASP A 60 -5.551 6.104 -7.237 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.365 5.158 -7.169 1.00 0.00 O ATOM 915 OD2 ASP A 60 -5.645 7.199 -6.640 1.00 0.00 O ATOM 0 H ASP A 60 -2.959 6.029 -10.200 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.400 3.940 -9.011 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.513 5.507 -7.525 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.004 6.877 -8.503 1.00 0.00 H new ATOM 920 N VAL A 61 -6.200 6.403 -10.338 1.00 0.00 N ATOM 921 CA VAL A 61 -7.507 6.756 -10.867 1.00 0.00 C ATOM 922 C VAL A 61 -7.849 5.825 -12.033 1.00 0.00 C ATOM 923 O VAL A 61 -9.017 5.661 -12.378 1.00 0.00 O ATOM 924 CB VAL A 61 -7.532 8.235 -11.256 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.217 8.650 -11.918 1.00 0.00 C ATOM 926 CG2 VAL A 61 -8.725 8.543 -12.163 1.00 0.00 C ATOM 0 H VAL A 61 -5.507 7.150 -10.381 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.276 6.621 -10.107 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.646 8.820 -10.343 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.261 9.706 -12.185 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.393 8.485 -11.224 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.059 8.055 -12.817 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.719 9.601 -12.425 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.656 7.944 -13.071 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.651 8.304 -11.640 1.00 0.00 H new ATOM 936 N GLY A 62 -6.807 5.240 -12.606 1.00 0.00 N ATOM 937 CA GLY A 62 -6.982 4.330 -13.725 1.00 0.00 C ATOM 938 C GLY A 62 -7.382 5.090 -14.991 1.00 0.00 C ATOM 939 O GLY A 62 -8.550 5.085 -15.379 1.00 0.00 O ATOM 0 H GLY A 62 -5.839 5.379 -12.316 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.056 3.783 -13.902 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.747 3.592 -13.482 1.00 0.00 H new ATOM 943 N HIS A 63 -6.392 5.723 -15.601 1.00 0.00 N ATOM 944 CA HIS A 63 -6.627 6.486 -16.816 1.00 0.00 C ATOM 945 C HIS A 63 -6.931 5.530 -17.971 1.00 0.00 C ATOM 946 O HIS A 63 -6.312 4.473 -18.087 1.00 0.00 O ATOM 947 CB HIS A 63 -5.448 7.415 -17.110 1.00 0.00 C ATOM 948 CG HIS A 63 -5.405 8.648 -16.239 1.00 0.00 C ATOM 949 ND1 HIS A 63 -4.611 8.740 -15.110 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.065 9.837 -16.345 1.00 0.00 C ATOM 951 CE1 HIS A 63 -4.794 9.935 -14.567 1.00 0.00 C ATOM 952 NE2 HIS A 63 -5.695 10.613 -15.334 1.00 0.00 N ATOM 0 H HIS A 63 -5.425 5.724 -15.277 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.497 7.129 -16.684 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.520 6.859 -16.981 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.493 7.722 -18.155 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -3.990 8.012 -14.756 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.769 10.102 -17.120 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.314 10.307 -13.674 1.00 0.00 H new ATOM 960 N SER A 64 -7.886 5.935 -18.797 1.00 0.00 N ATOM 961 CA SER A 64 -8.279 5.128 -19.939 1.00 0.00 C ATOM 962 C SER A 64 -7.107 4.990 -20.912 1.00 0.00 C ATOM 963 O SER A 64 -6.106 5.695 -20.787 1.00 0.00 O ATOM 964 CB SER A 64 -9.490 5.735 -20.650 1.00 0.00 C ATOM 965 OG SER A 64 -10.180 4.773 -21.445 1.00 0.00 O ATOM 0 H SER A 64 -8.398 6.811 -18.697 1.00 0.00 H new ATOM 0 HA SER A 64 -8.560 4.139 -19.578 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.174 6.151 -19.910 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.163 6.561 -21.282 1.00 0.00 H new ATOM 0 HG SER A 64 -10.947 5.199 -21.881 1.00 0.00 H new ATOM 971 N THR A 65 -7.269 4.078 -21.859 1.00 0.00 N ATOM 972 CA THR A 65 -6.236 3.839 -22.853 1.00 0.00 C ATOM 973 C THR A 65 -6.199 4.982 -23.869 1.00 0.00 C ATOM 974 O THR A 65 -5.278 5.067 -24.679 1.00 0.00 O ATOM 975 CB THR A 65 -6.499 2.470 -23.486 1.00 0.00 C ATOM 976 OG1 THR A 65 -5.387 2.273 -24.356 1.00 0.00 O ATOM 977 CG2 THR A 65 -7.707 2.481 -24.424 1.00 0.00 C ATOM 0 H THR A 65 -8.100 3.495 -21.959 1.00 0.00 H new ATOM 0 HA THR A 65 -5.245 3.819 -22.399 1.00 0.00 H new ATOM 0 HB THR A 65 -6.656 1.730 -22.701 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.080 3.139 -24.696 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.849 1.486 -24.846 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.598 2.769 -23.866 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.536 3.195 -25.229 1.00 0.00 H new ATOM 985 N ASP A 66 -7.212 5.833 -23.792 1.00 0.00 N ATOM 986 CA ASP A 66 -7.306 6.967 -24.695 1.00 0.00 C ATOM 987 C ASP A 66 -6.522 8.144 -24.112 1.00 0.00 C ATOM 988 O ASP A 66 -6.409 9.193 -24.744 1.00 0.00 O ATOM 989 CB ASP A 66 -8.760 7.409 -24.873 1.00 0.00 C ATOM 990 CG ASP A 66 -9.287 8.349 -23.787 1.00 0.00 C ATOM 991 OD1 ASP A 66 -8.773 8.250 -22.653 1.00 0.00 O ATOM 992 OD2 ASP A 66 -10.194 9.144 -24.116 1.00 0.00 O ATOM 0 H ASP A 66 -7.974 5.760 -23.118 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.900 6.665 -25.660 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.858 7.903 -25.839 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.393 6.522 -24.903 1.00 0.00 H new ATOM 997 N VAL A 67 -6.000 7.929 -22.913 1.00 0.00 N ATOM 998 CA VAL A 67 -5.229 8.960 -22.238 1.00 0.00 C ATOM 999 C VAL A 67 -3.790 8.938 -22.757 1.00 0.00 C ATOM 1000 O VAL A 67 -3.165 9.986 -22.911 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.320 8.772 -20.722 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -3.931 8.804 -20.081 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -6.238 9.823 -20.093 1.00 0.00 C ATOM 0 H VAL A 67 -6.096 7.057 -22.392 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.638 9.947 -22.456 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.754 7.791 -20.532 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.024 8.668 -19.004 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.320 8.002 -20.496 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.458 9.764 -20.286 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.285 9.667 -19.015 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.845 10.819 -20.298 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.238 9.733 -20.517 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.306 7.731 -23.015 1.00 0.00 N ATOM 1014 CA ARG A 68 -1.953 7.558 -23.514 1.00 0.00 C ATOM 1015 C ARG A 68 -1.808 8.213 -24.890 1.00 0.00 C ATOM 1016 O ARG A 68 -0.723 8.663 -25.255 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.591 6.076 -23.622 1.00 0.00 C ATOM 1018 CG ARG A 68 -0.135 5.898 -24.057 1.00 0.00 C ATOM 1019 CD ARG A 68 0.294 4.433 -23.952 1.00 0.00 C ATOM 1020 NE ARG A 68 1.653 4.343 -23.376 1.00 0.00 N ATOM 1021 CZ ARG A 68 2.284 3.190 -23.114 1.00 0.00 C ATOM 1022 NH1 ARG A 68 1.681 2.022 -23.374 1.00 0.00 N ATOM 1023 NH2 ARG A 68 3.518 3.205 -22.590 1.00 0.00 N ATOM 0 H ARG A 68 -3.828 6.864 -22.887 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.275 8.035 -22.807 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.749 5.588 -22.660 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.251 5.588 -24.339 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.014 6.243 -25.084 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.512 6.516 -23.434 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.411 3.883 -23.329 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.277 3.969 -24.938 1.00 0.00 H new ATOM 0 HE ARG A 68 2.141 5.213 -23.165 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.742 2.010 -23.771 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.161 1.145 -23.175 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.977 4.094 -22.391 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.998 2.327 -22.391 1.00 0.00 H new ATOM 1037 N GLU A 69 -2.916 8.245 -25.616 1.00 0.00 N ATOM 1038 CA GLU A 69 -2.925 8.836 -26.942 1.00 0.00 C ATOM 1039 C GLU A 69 -3.277 10.323 -26.857 1.00 0.00 C ATOM 1040 O GLU A 69 -2.858 11.113 -27.703 1.00 0.00 O ATOM 1041 CB GLU A 69 -3.893 8.096 -27.866 1.00 0.00 C ATOM 1042 CG GLU A 69 -5.340 8.277 -27.403 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.275 7.314 -28.138 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -6.170 6.101 -27.863 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -7.073 7.815 -28.960 1.00 0.00 O ATOM 0 H GLU A 69 -3.814 7.871 -25.310 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.926 8.742 -27.367 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.784 8.468 -28.885 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.644 7.035 -27.885 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.406 8.105 -26.329 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.657 9.305 -27.581 1.00 0.00 H new ATOM 1052 N LEU A 70 -4.043 10.660 -25.831 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.456 12.038 -25.624 1.00 0.00 C ATOM 1054 C LEU A 70 -3.232 12.951 -25.710 1.00 0.00 C ATOM 1055 O LEU A 70 -3.176 13.842 -26.557 1.00 0.00 O ATOM 1056 CB LEU A 70 -5.235 12.173 -24.314 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.509 13.018 -24.376 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -6.199 14.446 -24.828 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.565 12.353 -25.260 1.00 0.00 C ATOM 0 H LEU A 70 -4.389 10.002 -25.133 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.143 12.352 -26.409 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.502 11.174 -23.968 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.573 12.604 -23.563 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.925 13.083 -23.371 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.122 15.025 -24.863 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.507 14.908 -24.124 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.746 14.424 -25.819 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.460 12.974 -25.287 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.173 12.237 -26.270 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.815 11.373 -24.853 1.00 0.00 H new ATOM 1071 N SER A 71 -2.282 12.698 -24.823 1.00 0.00 N ATOM 1072 CA SER A 71 -1.061 13.486 -24.787 1.00 0.00 C ATOM 1073 C SER A 71 -0.142 13.080 -25.941 1.00 0.00 C ATOM 1074 O SER A 71 0.213 11.910 -26.074 1.00 0.00 O ATOM 1075 CB SER A 71 -0.338 13.322 -23.449 1.00 0.00 C ATOM 1076 OG SER A 71 -0.884 14.167 -22.441 1.00 0.00 O ATOM 0 H SER A 71 -2.332 11.958 -24.123 1.00 0.00 H new ATOM 0 HA SER A 71 -1.329 14.537 -24.897 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.404 12.283 -23.126 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.720 13.549 -23.578 1.00 0.00 H new ATOM 0 HG SER A 71 -0.182 14.409 -21.802 1.00 0.00 H new ATOM 1082 N LYS A 72 0.216 14.069 -26.747 1.00 0.00 N ATOM 1083 CA LYS A 72 1.087 13.829 -27.885 1.00 0.00 C ATOM 1084 C LYS A 72 2.084 14.983 -28.011 1.00 0.00 C ATOM 1085 O LYS A 72 3.289 14.787 -27.863 1.00 0.00 O ATOM 1086 CB LYS A 72 0.262 13.588 -29.150 1.00 0.00 C ATOM 1087 CG LYS A 72 0.491 12.176 -29.693 1.00 0.00 C ATOM 1088 CD LYS A 72 1.382 12.204 -30.936 1.00 0.00 C ATOM 1089 CE LYS A 72 2.793 12.682 -30.588 1.00 0.00 C ATOM 1090 NZ LYS A 72 2.937 14.127 -30.876 1.00 0.00 N ATOM 0 H LYS A 72 -0.081 15.038 -26.634 1.00 0.00 H new ATOM 0 HA LYS A 72 1.669 12.920 -27.734 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.796 13.730 -28.931 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.532 14.322 -29.910 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.953 11.557 -28.924 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.467 11.717 -29.938 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.430 11.208 -31.376 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.945 12.863 -31.686 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.998 12.493 -29.534 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.527 12.116 -31.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.580 14.258 -31.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.006 14.529 -31.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.326 14.610 -30.041 1.00 0.00 H new ATOM 1104 N THR A 73 1.544 16.162 -28.284 1.00 0.00 N ATOM 1105 CA THR A 73 2.369 17.347 -28.432 1.00 0.00 C ATOM 1106 C THR A 73 2.802 17.872 -27.061 1.00 0.00 C ATOM 1107 O THR A 73 3.867 18.472 -26.929 1.00 0.00 O ATOM 1108 CB THR A 73 1.585 18.371 -29.254 1.00 0.00 C ATOM 1109 OG1 THR A 73 1.669 17.883 -30.590 1.00 0.00 O ATOM 1110 CG2 THR A 73 2.279 19.733 -29.310 1.00 0.00 C ATOM 0 H THR A 73 0.544 16.321 -28.406 1.00 0.00 H new ATOM 0 HA THR A 73 3.293 17.120 -28.965 1.00 0.00 H new ATOM 0 HB THR A 73 0.588 18.489 -28.829 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.185 18.488 -31.190 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.680 20.422 -29.906 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.389 20.127 -28.300 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.263 19.621 -29.765 1.00 0.00 H new ATOM 1118 N TYR A 74 1.952 17.626 -26.075 1.00 0.00 N ATOM 1119 CA TYR A 74 2.232 18.066 -24.719 1.00 0.00 C ATOM 1120 C TYR A 74 3.502 17.405 -24.179 1.00 0.00 C ATOM 1121 O TYR A 74 4.286 18.041 -23.476 1.00 0.00 O ATOM 1122 CB TYR A 74 1.039 17.615 -23.874 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.302 18.193 -24.331 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.359 19.465 -24.864 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.455 17.443 -24.212 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.621 20.010 -25.294 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -2.715 17.987 -24.642 1.00 0.00 C ATOM 1128 CZ TYR A 74 -2.737 19.244 -25.162 1.00 0.00 C ATOM 1129 OH TYR A 74 -3.929 19.758 -25.569 1.00 0.00 O ATOM 0 H TYR A 74 1.069 17.128 -26.188 1.00 0.00 H new ATOM 0 HA TYR A 74 2.381 19.145 -24.690 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.981 16.527 -23.898 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.212 17.902 -22.837 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.543 20.052 -24.959 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.411 16.447 -23.796 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.680 21.004 -25.712 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.624 17.410 -24.554 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.639 19.100 -25.416 1.00 0.00 H new ATOM 1139 N ILE A 75 3.666 16.139 -24.530 1.00 0.00 N ATOM 1140 CA ILE A 75 4.828 15.384 -24.091 1.00 0.00 C ATOM 1141 C ILE A 75 6.061 16.288 -24.129 1.00 0.00 C ATOM 1142 O ILE A 75 6.225 17.083 -25.054 1.00 0.00 O ATOM 1143 CB ILE A 75 4.978 14.103 -24.913 1.00 0.00 C ATOM 1144 CG1 ILE A 75 4.260 12.932 -24.239 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.452 13.794 -25.182 1.00 0.00 C ATOM 1146 CD1 ILE A 75 5.172 12.241 -23.223 1.00 0.00 C ATOM 0 H ILE A 75 3.013 15.616 -25.114 1.00 0.00 H new ATOM 0 HA ILE A 75 4.703 15.058 -23.058 1.00 0.00 H new ATOM 0 HB ILE A 75 4.500 14.259 -25.880 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.360 13.291 -23.740 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.941 12.214 -24.994 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.531 12.878 -25.768 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.902 14.619 -25.735 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.975 13.664 -24.235 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.637 11.413 -22.758 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.059 11.862 -23.730 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.470 12.956 -22.456 1.00 0.00 H new ATOM 1158 N ILE A 76 6.898 16.138 -23.113 1.00 0.00 N ATOM 1159 CA ILE A 76 8.112 16.931 -23.020 1.00 0.00 C ATOM 1160 C ILE A 76 9.298 16.099 -23.509 1.00 0.00 C ATOM 1161 O ILE A 76 10.096 16.565 -24.320 1.00 0.00 O ATOM 1162 CB ILE A 76 8.287 17.477 -21.600 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.386 16.718 -20.853 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.960 17.462 -20.840 1.00 0.00 C ATOM 1165 CD1 ILE A 76 9.938 17.552 -19.696 1.00 0.00 C ATOM 0 H ILE A 76 6.759 15.479 -22.347 1.00 0.00 H new ATOM 0 HA ILE A 76 8.047 17.805 -23.668 1.00 0.00 H new ATOM 0 HB ILE A 76 8.605 18.517 -21.670 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.988 15.778 -20.471 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.192 16.467 -21.542 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.112 17.855 -19.835 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.233 18.081 -21.365 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.588 16.439 -20.778 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.717 16.990 -19.182 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.357 18.481 -20.084 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.134 17.781 -18.996 1.00 0.00 H new ATOM 1177 N GLY A 77 9.378 14.879 -22.995 1.00 0.00 N ATOM 1178 CA GLY A 77 10.454 13.977 -23.370 1.00 0.00 C ATOM 1179 C GLY A 77 10.592 12.839 -22.358 1.00 0.00 C ATOM 1180 O GLY A 77 9.718 11.977 -22.264 1.00 0.00 O ATOM 0 H GLY A 77 8.715 14.495 -22.322 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.260 13.566 -24.361 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.392 14.529 -23.432 1.00 0.00 H new ATOM 1184 N GLU A 78 11.696 12.870 -21.626 1.00 0.00 N ATOM 1185 CA GLU A 78 11.960 11.852 -20.625 1.00 0.00 C ATOM 1186 C GLU A 78 13.067 12.314 -19.675 1.00 0.00 C ATOM 1187 O GLU A 78 14.189 12.575 -20.106 1.00 0.00 O ATOM 1188 CB GLU A 78 12.322 10.519 -21.282 1.00 0.00 C ATOM 1189 CG GLU A 78 13.238 10.732 -22.488 1.00 0.00 C ATOM 1190 CD GLU A 78 13.431 9.430 -23.268 1.00 0.00 C ATOM 1191 OE1 GLU A 78 13.213 8.363 -22.654 1.00 0.00 O ATOM 1192 OE2 GLU A 78 13.793 9.531 -24.461 1.00 0.00 O ATOM 0 H GLU A 78 12.418 13.585 -21.707 1.00 0.00 H new ATOM 0 HA GLU A 78 11.051 11.698 -20.043 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.816 9.874 -20.555 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.413 10.006 -21.597 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.812 11.492 -23.143 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.205 11.106 -22.153 1.00 0.00 H new ATOM 1199 N LEU A 79 12.712 12.401 -18.402 1.00 0.00 N ATOM 1200 CA LEU A 79 13.662 12.827 -17.388 1.00 0.00 C ATOM 1201 C LEU A 79 14.824 11.834 -17.334 1.00 0.00 C ATOM 1202 O LEU A 79 14.670 10.671 -17.707 1.00 0.00 O ATOM 1203 CB LEU A 79 12.959 13.025 -16.044 1.00 0.00 C ATOM 1204 CG LEU A 79 13.073 11.867 -15.050 1.00 0.00 C ATOM 1205 CD1 LEU A 79 12.878 10.521 -15.753 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.396 11.928 -14.287 1.00 0.00 C ATOM 0 H LEU A 79 11.780 12.184 -18.049 1.00 0.00 H new ATOM 0 HA LEU A 79 14.084 13.798 -17.646 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.362 13.922 -15.574 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.902 13.212 -16.233 1.00 0.00 H new ATOM 0 HG LEU A 79 12.274 11.966 -14.316 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.964 9.714 -15.025 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.891 10.491 -16.213 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.641 10.398 -16.522 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.451 11.094 -13.587 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.225 11.866 -14.991 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.456 12.867 -13.737 1.00 0.00 H new ATOM 1218 N HIS A 80 15.961 12.327 -16.866 1.00 0.00 N ATOM 1219 CA HIS A 80 17.149 11.497 -16.758 1.00 0.00 C ATOM 1220 C HIS A 80 16.740 10.054 -16.453 1.00 0.00 C ATOM 1221 O HIS A 80 15.894 9.813 -15.594 1.00 0.00 O ATOM 1222 CB HIS A 80 18.120 12.070 -15.725 1.00 0.00 C ATOM 1223 CG HIS A 80 19.575 11.833 -16.052 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.384 10.994 -15.306 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.357 12.333 -17.052 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.597 10.997 -15.842 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.578 11.829 -16.923 1.00 0.00 N ATOM 0 H HIS A 80 16.085 13.291 -16.557 1.00 0.00 H new ATOM 0 HA HIS A 80 17.683 11.493 -17.708 1.00 0.00 H new ATOM 0 HB2 HIS A 80 17.948 13.143 -15.636 1.00 0.00 H new ATOM 0 HB3 HIS A 80 17.901 11.630 -14.752 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.037 13.022 -17.819 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.450 10.439 -15.485 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.371 12.030 -17.532 1.00 0.00 H new ATOM 1235 N PRO A 81 17.379 9.108 -17.192 1.00 0.00 N ATOM 1236 CA PRO A 81 17.091 7.695 -17.009 1.00 0.00 C ATOM 1237 C PRO A 81 17.727 7.169 -15.721 1.00 0.00 C ATOM 1238 O PRO A 81 17.335 6.119 -15.215 1.00 0.00 O ATOM 1239 CB PRO A 81 17.630 7.018 -18.258 1.00 0.00 C ATOM 1240 CG PRO A 81 18.608 8.004 -18.877 1.00 0.00 C ATOM 1241 CD PRO A 81 18.387 9.355 -18.218 1.00 0.00 C ATOM 0 HA PRO A 81 16.026 7.494 -16.893 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.126 6.079 -18.011 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.824 6.780 -18.952 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.634 7.669 -18.727 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.450 8.074 -19.953 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.310 9.738 -17.782 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.044 10.096 -18.940 1.00 0.00 H new ATOM 1249 N ASP A 82 18.699 7.922 -15.228 1.00 0.00 N ATOM 1250 CA ASP A 82 19.394 7.545 -14.009 1.00 0.00 C ATOM 1251 C ASP A 82 18.542 7.935 -12.800 1.00 0.00 C ATOM 1252 O ASP A 82 18.508 7.217 -11.801 1.00 0.00 O ATOM 1253 CB ASP A 82 20.737 8.268 -13.894 1.00 0.00 C ATOM 1254 CG ASP A 82 21.915 7.382 -13.480 1.00 0.00 C ATOM 1255 OD1 ASP A 82 21.704 6.152 -13.414 1.00 0.00 O ATOM 1256 OD2 ASP A 82 22.998 7.957 -13.238 1.00 0.00 O ATOM 0 H ASP A 82 19.022 8.792 -15.651 1.00 0.00 H new ATOM 0 HA ASP A 82 19.565 6.469 -14.038 1.00 0.00 H new ATOM 0 HB2 ASP A 82 20.968 8.729 -14.855 1.00 0.00 H new ATOM 0 HB3 ASP A 82 20.637 9.076 -13.169 1.00 0.00 H new ATOM 1261 N ASP A 83 17.874 9.072 -12.929 1.00 0.00 N ATOM 1262 CA ASP A 83 17.024 9.567 -11.859 1.00 0.00 C ATOM 1263 C ASP A 83 15.687 8.823 -11.890 1.00 0.00 C ATOM 1264 O ASP A 83 15.042 8.657 -10.857 1.00 0.00 O ATOM 1265 CB ASP A 83 16.738 11.060 -12.028 1.00 0.00 C ATOM 1266 CG ASP A 83 17.872 11.988 -11.591 1.00 0.00 C ATOM 1267 OD1 ASP A 83 18.979 11.837 -12.152 1.00 0.00 O ATOM 1268 OD2 ASP A 83 17.609 12.831 -10.706 1.00 0.00 O ATOM 0 H ASP A 83 17.904 9.665 -13.758 1.00 0.00 H new ATOM 0 HA ASP A 83 17.543 9.404 -10.914 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.512 11.255 -13.076 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.844 11.310 -11.458 1.00 0.00 H new ATOM 1273 N ARG A 84 15.312 8.396 -13.088 1.00 0.00 N ATOM 1274 CA ARG A 84 14.064 7.674 -13.266 1.00 0.00 C ATOM 1275 C ARG A 84 14.097 6.355 -12.492 1.00 0.00 C ATOM 1276 O ARG A 84 13.079 5.920 -11.956 1.00 0.00 O ATOM 1277 CB ARG A 84 13.804 7.383 -14.745 1.00 0.00 C ATOM 1278 CG ARG A 84 13.012 6.085 -14.918 1.00 0.00 C ATOM 1279 CD ARG A 84 13.950 4.892 -15.113 1.00 0.00 C ATOM 1280 NE ARG A 84 13.408 3.986 -16.151 1.00 0.00 N ATOM 1281 CZ ARG A 84 13.752 2.697 -16.277 1.00 0.00 C ATOM 1282 NH1 ARG A 84 14.638 2.154 -15.432 1.00 0.00 N ATOM 1283 NH2 ARG A 84 13.209 1.952 -17.249 1.00 0.00 N ATOM 0 H ARG A 84 15.850 8.536 -13.943 1.00 0.00 H new ATOM 0 HA ARG A 84 13.260 8.303 -12.883 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.253 8.211 -15.191 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.753 7.308 -15.277 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.384 5.919 -14.043 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.346 6.173 -15.777 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.940 5.241 -15.405 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.066 4.353 -14.173 1.00 0.00 H new ATOM 0 HE ARG A 84 12.730 4.367 -16.811 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.051 2.722 -14.692 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.899 1.173 -15.528 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.534 2.366 -17.892 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.470 0.971 -17.346 1.00 0.00 H new ATOM 1297 N SER A 85 15.278 5.756 -12.457 1.00 0.00 N ATOM 1298 CA SER A 85 15.458 4.496 -11.757 1.00 0.00 C ATOM 1299 C SER A 85 15.750 4.756 -10.278 1.00 0.00 C ATOM 1300 O SER A 85 15.720 3.834 -9.464 1.00 0.00 O ATOM 1301 CB SER A 85 16.585 3.673 -12.385 1.00 0.00 C ATOM 1302 OG SER A 85 16.375 2.272 -12.226 1.00 0.00 O ATOM 0 H SER A 85 16.120 6.120 -12.902 1.00 0.00 H new ATOM 0 HA SER A 85 14.535 3.922 -11.843 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.659 3.910 -13.446 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.535 3.951 -11.929 1.00 0.00 H new ATOM 0 HG SER A 85 17.115 1.781 -12.641 1.00 0.00 H new ATOM 1308 N LYS A 86 16.029 6.015 -9.975 1.00 0.00 N ATOM 1309 CA LYS A 86 16.327 6.408 -8.608 1.00 0.00 C ATOM 1310 C LYS A 86 15.017 6.604 -7.842 1.00 0.00 C ATOM 1311 O LYS A 86 14.943 6.315 -6.648 1.00 0.00 O ATOM 1312 CB LYS A 86 17.239 7.636 -8.591 1.00 0.00 C ATOM 1313 CG LYS A 86 18.671 7.261 -8.980 1.00 0.00 C ATOM 1314 CD LYS A 86 19.591 7.266 -7.758 1.00 0.00 C ATOM 1315 CE LYS A 86 20.425 8.547 -7.703 1.00 0.00 C ATOM 1316 NZ LYS A 86 19.585 9.694 -7.290 1.00 0.00 N ATOM 0 H LYS A 86 16.055 6.777 -10.653 1.00 0.00 H new ATOM 0 HA LYS A 86 16.881 5.621 -8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 86 16.856 8.388 -9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.234 8.084 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.679 6.274 -9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.045 7.964 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 86 18.995 7.177 -6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 86 20.251 6.399 -7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 86 21.250 8.421 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 86 20.865 8.744 -8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 20.166 10.556 -7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 18.813 9.823 -7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 19.186 9.510 -6.348 1.00 0.00 H new ATOM 1330 N ILE A 87 14.017 7.096 -8.558 1.00 0.00 N ATOM 1331 CA ILE A 87 12.715 7.334 -7.960 1.00 0.00 C ATOM 1332 C ILE A 87 12.060 5.993 -7.624 1.00 0.00 C ATOM 1333 O ILE A 87 11.046 5.950 -6.927 1.00 0.00 O ATOM 1334 CB ILE A 87 11.863 8.223 -8.868 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.204 9.701 -8.663 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.372 7.946 -8.665 1.00 0.00 C ATOM 1337 CD1 ILE A 87 11.646 10.555 -9.805 1.00 0.00 C ATOM 0 H ILE A 87 14.082 7.336 -9.547 1.00 0.00 H new ATOM 0 HA ILE A 87 12.821 7.882 -7.024 1.00 0.00 H new ATOM 0 HB ILE A 87 12.098 7.978 -9.904 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.794 10.044 -7.713 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.286 9.824 -8.607 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.789 8.591 -9.322 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.160 6.903 -8.900 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.103 8.146 -7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.902 11.601 -9.636 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.076 10.225 -10.750 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.562 10.448 -9.843 1.00 0.00 H new ATOM 1349 N ALA A 88 12.665 4.930 -8.133 1.00 0.00 N ATOM 1350 CA ALA A 88 12.154 3.592 -7.894 1.00 0.00 C ATOM 1351 C ALA A 88 11.678 3.482 -6.444 1.00 0.00 C ATOM 1352 O ALA A 88 12.478 3.239 -5.542 1.00 0.00 O ATOM 1353 CB ALA A 88 13.235 2.564 -8.232 1.00 0.00 C ATOM 0 H ALA A 88 13.505 4.969 -8.710 1.00 0.00 H new ATOM 0 HA ALA A 88 11.298 3.389 -8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 88 12.851 1.560 -8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.516 2.663 -9.280 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.109 2.736 -7.604 1.00 0.00 H new TER 1359 ALA A 88 HETATM 1360 FE HEM A 95 -5.954 12.447 -15.548 1.00 0.00 FE HETATM 1361 CHA HEM A 95 -9.284 12.140 -15.216 1.00 0.00 C HETATM 1362 CHB HEM A 95 -6.293 12.498 -18.928 1.00 0.00 C HETATM 1363 CHC HEM A 95 -2.607 12.780 -15.862 1.00 0.00 C HETATM 1364 CHD HEM A 95 -5.598 12.418 -12.154 1.00 0.00 C HETATM 1365 NA HEM A 95 -7.503 12.327 -16.803 1.00 0.00 N HETATM 1366 C1A HEM A 95 -8.820 12.214 -16.456 1.00 0.00 C HETATM 1367 C2A HEM A 95 -9.619 12.164 -17.676 1.00 0.00 C HETATM 1368 C3A HEM A 95 -8.773 12.272 -18.714 1.00 0.00 C HETATM 1369 C4A HEM A 95 -7.452 12.386 -18.166 1.00 0.00 C HETATM 1370 CMA HEM A 95 -9.171 12.228 -20.181 1.00 0.00 C HETATM 1371 CAA HEM A 95 -10.993 11.432 -17.887 1.00 0.00 C HETATM 1372 CBA HEM A 95 -11.089 9.943 -18.288 1.00 0.00 C HETATM 1373 CGA HEM A 95 -10.522 9.002 -17.233 1.00 0.00 C HETATM 1374 O1A HEM A 95 -10.690 9.280 -16.019 1.00 0.00 O HETATM 1375 O2A HEM A 95 -9.914 7.965 -17.602 1.00 0.00 O HETATM 1376 NB HEM A 95 -4.691 12.598 -17.081 1.00 0.00 N HETATM 1377 C1B HEM A 95 -5.022 12.595 -18.401 1.00 0.00 C HETATM 1378 C2B HEM A 95 -3.830 12.734 -19.220 1.00 0.00 C HETATM 1379 C3B HEM A 95 -2.795 12.813 -18.369 1.00 0.00 C HETATM 1380 C4B HEM A 95 -3.330 12.746 -17.010 1.00 0.00 C HETATM 1381 CMB HEM A 95 -3.729 12.760 -20.736 1.00 0.00 C HETATM 1382 CAB HEM A 95 -1.343 12.952 -18.754 1.00 0.00 C HETATM 1383 CBB HEM A 95 -0.724 12.602 -19.748 1.00 0.00 C HETATM 1384 NC HEM A 95 -4.402 12.589 -14.263 1.00 0.00 N HETATM 1385 C1C HEM A 95 -3.084 12.713 -14.597 1.00 0.00 C HETATM 1386 C2C HEM A 95 -2.271 12.752 -13.404 1.00 0.00 C HETATM 1387 C3C HEM A 95 -3.144 12.671 -12.331 1.00 0.00 C HETATM 1388 C4C HEM A 95 -4.457 12.543 -12.884 1.00 0.00 C HETATM 1389 CMC HEM A 95 -0.791 12.897 -13.279 1.00 0.00 C HETATM 1390 CAC HEM A 95 -2.722 12.690 -10.899 1.00 0.00 C HETATM 1391 CBC HEM A 95 -1.963 12.082 -10.384 1.00 0.00 C HETATM 1392 ND HEM A 95 -7.216 12.313 -13.993 1.00 0.00 N HETATM 1393 C1D HEM A 95 -6.875 12.315 -12.654 1.00 0.00 C HETATM 1394 C2D HEM A 95 -8.102 12.184 -11.842 1.00 0.00 C HETATM 1395 C3D HEM A 95 -9.096 12.107 -12.713 1.00 0.00 C HETATM 1396 C4D HEM A 95 -8.559 12.190 -14.051 1.00 0.00 C HETATM 1397 CMD HEM A 95 -8.162 12.158 -10.345 1.00 0.00 C HETATM 1398 CAD HEM A 95 -10.695 12.205 -12.529 1.00 0.00 C HETATM 1399 CBD HEM A 95 -11.221 13.527 -13.143 1.00 0.00 C HETATM 1400 CGD HEM A 95 -12.729 13.472 -13.387 1.00 0.00 C HETATM 1401 O1D HEM A 95 -13.280 13.639 -14.473 1.00 0.00 O HETATM 1402 O2D HEM A 95 -13.347 13.519 -12.215 1.00 0.00 O HETATM 0 HMA1 HEM A 95 -8.453 12.799 -20.770 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 -10.164 12.660 -20.302 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 -9.181 11.194 -20.524 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 -2.878 13.373 -21.034 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 -4.643 13.181 -21.154 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 -3.593 11.745 -21.109 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 -0.553 13.404 -12.344 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 -0.411 13.482 -14.116 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 -0.327 11.911 -13.286 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 -7.242 11.727 -9.951 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 -9.011 11.554 -10.025 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 -8.277 13.174 -9.968 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 0.344 12.806 -19.825 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 -1.240 12.086 -20.558 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 -1.779 12.227 -9.320 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 -1.395 11.335 -10.938 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 -10.556 9.791 -19.226 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 -12.133 9.688 -18.470 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 -11.532 11.995 -18.649 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 -11.550 11.541 -16.956 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 -10.706 13.722 -14.084 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 -10.990 14.357 -12.475 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 -10.951 12.159 -11.470 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 -11.177 11.354 -13.010 1.00 0.00 H new HETATM 0 HHA HEM A 95 -10.353 12.028 -15.110 1.00 0.00 H new HETATM 0 HHB HEM A 95 -6.395 12.510 -20.003 1.00 0.00 H new HETATM 0 HHC HEM A 95 -1.536 12.870 -15.969 1.00 0.00 H new HETATM 0 HHD HEM A 95 -5.491 12.398 -11.080 1.00 0.00 H new HETATM 0 HAB HEM A 95 -0.732 13.459 -18.007 1.00 0.00 H new HETATM 0 HAC HEM A 95 -3.243 13.413 -10.271 1.00 0.00 H new